A0A077ZCA7_TRITR Loading...

Pyruvate carboxylase

Catalyzes a 2-step reaction, involving the ATP-dependent carboxylation of the covalently attached biotin in the first step and the transfer of the carboxyl group to pyruvate in the second.

AlphaFold DB , UniProt , Accession A0A077ZCA7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,183 aa.

						>A0A077ZCA7_TRITR|A0A077ZCA7
MRPRQILSLLPTLCRLRVRQIVIKADNGQPRREFKKVLVANRGEIAIRVFRALTELHIRSVAIYSEEDRMHMHRLKADEAYLIGQGLSPVAAYLNIKEIVDIAREHNVDAVHPGYGFLSEQAEFAQACLDAGIAFIGPSPQVMRRMGDKVAARKAALEAGVTVVPGIDTPTEGVTEVLQFGLEHGFPIILKAAYGGGGRGMRRVNAAEEVHEAFARATSESKAAFGNGALFVEKFIERPRHIEVQILGDHYGNILHLYERDCSVQRRHQKIVEIAPAPNLKSDIRQKMLDDALRLAKHVGYQNAGTVEFLLEPNGCHYFIEVNARLQVEHTVTEEVTGIDLVQAQIRIAEGKSIKELDLTQQSVTPVGSAIQCRVTTEDPGMNFQPDSGRIEVFRCGEGMGIRIDSASAFAGAIISPYYDSLLVKIIAHSRSYPDTIDKMIRALMEFRVRGVKTNVPFLLNVLSNSKFRDSSVDTCFIDENPQLFQFTPSQNRAQRLLTFLKEVKVNGPMTPLVTNIPPRKEIPEVPNFDHIPLRKGWRNVFLEKGADGFAKAVRNHKGTLLSDTTFRDAHQSLLATRVRTYDLKRISPFVARALPQLFSLEMWGGATFDVALRFLRECPWSRLEELREQIPNIPFQMLLRGTNAVGYSSYPDNVIYKFCEQAKQYGIDVFRVFDSLNYMPNLLLGIEASASAGGVVEAAISYTGDVSDPSRTKYDLKYYLSLADEIVQAGTHILCIKDMAGLLKPKAAKILVSALRERYPELPIHVHSHDTAGAAVASMLACAEAGADIVDVAVDSMSGMTSQPSMGAMVAILSGTDLETGMKLSDVSKYSSYCETMRLLYGPFECTQTMKSGNADVYIHEIPGGQYTNLQFQAFSLGLGKKFEEIKKAYADANRLLGDLIKVTPTSKMVGDLAQFMVTNKLTAEQVAQSADQLSLPESVIEFMQGYIGQPPYGFPEPLRTKILRDRKCMEKRPGAVLPPVNFDLLKSQLEDKYGAKTIRDVDVISYALYPKVTEEFLAFRNIYGPVDKLPTRAFFIGLDNGEEIDVELEKGKTLHIKMLAKSELNAVGEREVFLELNGQLRSFLVIDKEATSGAAAKRRADPSVKGSIGAPMPGDVLQINVKVGDRVKVKTPLAVISAMKMEMVIESPVNGVVKTIVTQPNSRCDAGDLLMEIEEEKSSTT
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	35.7	Very low	252 Å²	252	158.8 Å²	158.8	100%	1.241	79%	0.793	S	S	*	*				0	163.2	0	-67.5	165.7	177.7	0	0	109.1
2	R	30.4	Very low	35	Very low	237 Å²	237	155.8 Å²	155.8	89%	0.894	79%	0.79	S	S	*	*			trans	-92.3	177.3	171.9	-89.7	-169.6	-172.9	-176.9	4.5	109.5
3	P	49.8	Very low	34.4	Very low	98 Å²	98	155.4 Å²	155.4	64%	0.636	79%	0.79	S	S	*	*			cis	-144.4	-165.4	-40.1	40	-21.4	0	0	0	114
4	R	36.4	Very low	33.8	Very low	217 Å²	217	153 Å²	153	82%	0.819	79%	0.792	S	S	*	*			trans	75.1	148.1	156.7	-65.8	169.7	179	-175	-2.1	116.9
5	Q	38.3	Very low	33.3	Very low	143 Å²	143	159.9 Å²	159.9	67%	0.668	80%	0.804	S	S	*	*			cis	-156.8	-172.7	-11.5	-117.5	170.7	-87.1	0	0	107.5
6	I	36.4	Very low	33	Very low	141 Å²	141	160.1 Å²	160.1	72%	0.723	81%	0.807	S	S	*	*			cis	-147.1	-147.2	19	-153.1	147.9	0	0	0	113.8
7	L	34.2	Very low	32.7	Very low	141 Å²	141	165.2 Å²	165.2	74%	0.738	81%	0.814	S	S	*	*			trans	-76.3	166.8	-176.3	-94.2	73.6	0	0	0	115.5
8	S	29.2	Very low	32.6	Very low	92 Å²	92	163.4 Å²	163.4	64%	0.643	81%	0.814	S	S	*	*			cis	-170.2	174	-3.4	43.6	0	0	0	0	114
9	L	30.5	Very low	32.3	Very low	155 Å²	155	167.1 Å²	167.1	81%	0.812	82%	0.817	S	S	*	*			trans	88	62	160.1	-58.3	179.7	0	0	0	120
10	L	27.7	Very low	32.3	Very low	166 Å²	166	167.8 Å²	167.8	87%	0.869	82%	0.819	S	S	*	*				38.2	152.7	116.1	-65.7	171	0	0	0	123.7
11	P	39.8	Very low	32.1	Very low	105 Å²	105	167 Å²	167	68%	0.682	82%	0.817	S	S	*	*			trans	-140	-154.9	-150.3	41.3	-18.4	0	0	0	114.6
12	T	27.6	Very low	31.6	Very low	122 Å²	122	160.4 Å²	160.4	75%	0.748	79%	0.79	S	S	*	*				154.8	148.7	108.5	-39.7	0	0	0	0	112.7
13	L	27.4	Very low	31.6	Very low	151 Å²	151	156 Å²	156	79%	0.791	78%	0.783	S	S	*	*			trans	-80.5	157.8	165.7	-59.9	80.3	0	0	0	111.6
14	C	25.8	Very low	30.4	Very low	122 Å²	122	160.7 Å²	160.7	82%	0.824	79%	0.794	S	S	*	*				168.4	142.1	113.2	-96	0	0	0	0	113.2
15	R	26.6	Very low	30	Very low	257 Å²	257	154.5 Å²	154.5	97%	0.97	79%	0.789	S	S	*	*			trans	-116	111.4	163.9	-85.2	-175.6	169.6	-178.8	-3.3	109.5
16	L	28.8	Very low	29.6	Very low	163 Å²	163	155 Å²	155	85%	0.853	80%	0.796	S	S	*	*			trans	-94.4	130.6	169.4	-86.4	162.3	0	0	0	110.1
17	R	27.3	Very low	29.4	Very low	246 Å²	246	156.5 Å²	156.5	93%	0.928	81%	0.805	S	S	*	*			trans	-84.4	108.7	167.5	-84	-177.8	166.4	175.4	-4.1	109.2
18	V	30.5	Very low	29.8	Very low	134 Å²	134	151.5 Å²	151.5	81%	0.812	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-76.7	125.9	166.6	179.7	0	0	0	0	108.7
19	R	27.1	Very low	30.9	Very low	232 Å²	232	153 Å²	153	88%	0.875	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-80.8	122.5	164.8	-79	179.7	167	175	-4.8	108.2
20	Q	31.7	Very low	32.1	Very low	181 Å²	181	150.3 Å²	150.3	85%	0.846	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-66.8	136	164.1	-79.9	176.1	-52.2	0	0	109.6
21	I	28.8	Very low	34	Very low	152 Å²	152	149.9 Å²	149.9	78%	0.779	76%	0.764	S	S	*	*			trans	-91.5	104.9	172.7	-60.5	175.2	0	0	0	107.1	I23	I21-I23 HydrophobicContact CG2-CG1 4.04Å; I21-I23 PolarHBondContact O-N 2.95Å
22	V	30.3	Very low	35.9	Very low	113 Å²	113	150.5 Å²	150.5	69%	0.685	75%	0.753	S	S	*	*			trans	-85.8	103	168.4	-179.8	0	0	0	0	107.7	K24	V22-K24 PolarHBondContact O-N 3.36Å
23	I	29.8	Very low	38.7	Very low	146 Å²	146	151.4 Å²	151.4	75%	0.749	75%	0.748	S	S	*	*			trans	-73.5	117.2	170.2	-58.4	178.6	0	0	0	107.3	I21	I21-I23 HydrophobicContact CG2-CG1 4.04Å; I21-I23 PolarHBondContact O-N 2.95Å
24	K	24.5	Very low	41.9	Very low	196 Å²	196	144.5 Å²	144.5	85%	0.852	71%	0.712	S	S	*	*			trans	-73.6	125.1	169.8	-76.6	-170.8	172.1	-170	0	109.7	V22	V22-K24 PolarHBondContact O-N 3.36Å
25	A	27.1	Very low	45.3	Very low	87 Å²	87	145.2 Å²	145.2	72%	0.719	70%	0.701	S	S	*	*			trans	-114.3	150.8	154.2	0	0	0	0	0	107.6
26	D	29.8	Very low	48.6	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	138.1	-175.7	-73.8	-53.6	0	0	0	112.7	G28	D26-G28 PolarHBondContact O-N 3.22Å
27	N	33.2	Very low	51.9	Low	171 Å²	171	126.4 Å²	126.4	91%	0.914	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.7	37.4	161.3	-59.7	-22.9	0	0	0	117.6
28	G	41.3	Very low	55.3	Low	37 Å²	37	114.7 Å²	114.7	38%	0.381	58%	0.575	S	S	.	*	S	Bend	trans	-135.3	167	167.3	0	0	0	0	0	112.5	D26	D26-G28 PolarHBondContact O-N 3.22Å
29	Q	52.4	Low	58.6	Low	122 Å²	122	108.3 Å²	108.3	57%	0.57	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-60.7	145.8	171	-85.5	-166.8	-12.4	0	0	110.8	R31	Q29-R31 PolarHBondContact O-N 3.03Å
30	P	56.1	Low	61.9	Low	100 Å²	100	97.2 Å²	97.2	65%	0.649	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-66.8	125.1	177.9	28.2	-33.8	0	0	0	110.2	R32	P30-R32 PolarHBondContact O-N 3.47Å
31	R	68.9	Low	65	Low	157 Å²	157	88.8 Å²	88.8	59%	0.592	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-50.7	133.3	174.1	-81.8	-173.7	174.7	168.9	2.4	111.3	Q29 E350 E356	Q29-R31 PolarHBondContact O-N 3.03Å; R31-E350 CarbonylContact C-O 3.54Å; R31-E350 WeakPolarHBondContact CA-O 3.4Å; R31-E356 IonicContact CZ-OE1 3.24Å; R31-E356 IonicContact NH2-OE1 3.29Å; R31-E356 PolarHBondContact NH2-OE1 3.21Å; R31-E356 IonicContact NH2-OE2 3.61Å; R31-E356 PolarHBondContact NH2-OE2 3.04Å
32	R	78.5	Confident	68.2	Low	117 Å²	117	81.9 Å²	81.9	44%	0.442	42%	0.42	S	S	.	.			trans	-134.1	88.6	-171.4	-146.1	174.7	-173.9	-158.5	-3.1	109	P30 F34 G132 E350	P30-R32 PolarHBondContact O-N 3.47Å; R32-F34 HydrophobicContact CB-CE1 4.21Å; R32-F34 HydrophobicContact CG-CE1 4.43Å; R32-F34 WeakPolarHBondContact O-CD1 3.4Å; R32-F34 WeakPolarHBondContact O-CE1 3.47Å; R32-F34 PolarHBondContact O-N 2.86Å; R32-G132 VanDerWaalsContact CZ-O 3.26Å; R32-G132 PolarHBondContact NH1-O 3.22Å; R32-G132 PolarHBondContact NH2-O 3.49Å; R32-E350 PolarHBondContact N-O 3.49Å; R32-E350 WeakPolarHBondContact O-CA 3.38Å; R32-E350 WeakPolarHBondContact O-CB 3.23Å; R32-E350 WeakPolarHBondContact O-CG 3.31Å
33	E	86.7	Confident	71.2	Confident	141 Å²	141	76.6 Å²	76.6	66%	0.659	39%	0.388	S	S	*	.			trans	-61	118.5	173.3	178.5	-175.2	-111.8	0	0	109.4	K35	E33-K35 WeakPolarHBondContact OE2-CE 3.38Å; E33-K35 IonicContact OE2-NZ 2.67Å
34	F	95.4	Very high	74.3	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.026	35%	0.354	C	S	.	.			trans	-85.9	138.6	-178.7	-58.7	-36.6	0	0	0	111.1	R32 V37 I58 D109 A110 A134 I136 I346 A349 E350	R32-F34 HydrophobicContact CB-CE1 4.21Å; R32-F34 HydrophobicContact CG-CE1 4.43Å; R32-F34 WeakPolarHBondContact O-CD1 3.4Å; R32-F34 WeakPolarHBondContact O-CE1 3.47Å; R32-F34 PolarHBondContact O-N 2.86Å; F34-V37 HydrophobicContact CB-CG2 3.99Å; F34-V37 HydrophobicContact CD2-CG2 4.26Å; F34-V37 HydrophobicContact CG-CG2 4.31Å; F34-I58 HydrophobicContact CB-CD1 4.35Å; F34-I58 HydrophobicContact CB-CG2 4.19Å; F34-D109 HydrophobicContact CB-CB 4.34Å; F34-D109 HydrophobicContact CD1-CB 3.79Å; F34-D109 HydrophobicContact CG-CB 4.41Å; F34-A110 HydrophobicContact CD1-CB 4.04Å; F34-A110 HydrophobicContact CD2-CB 4.09Å; F34-A110 HydrophobicContact CE1-CB 3.81Å; F34-A110 HydrophobicContact CE2-CB 3.86Å; F34-A110 HydrophobicContact CG-CB 4.18Å; F34-A110 HydrophobicContact CZ-CB 3.71Å; F34-A134 HydrophobicContact CE1-CB 3.78Å; F34-A134 HydrophobicContact CZ-CB 3.72Å; F34-I136 HydrophobicContact CE2-CD1 4.26Å; F34-I136 HydrophobicContact CE2-CG1 4.41Å; F34-I346 HydrophobicContact CD2-CG2 4.22Å; F34-A349 HydrophobicContact CE2-CB 3.91Å; F34-A349 HydrophobicContact CZ-CB 4.07Å; F34-A349 VanDerWaalsContact CZ-O 3.29Å; F34-A349 WeakPolarHBondContact CZ-O 3.39Å; F34-E350 HydrophobicContact CD2-CG 3.51Å; F34-E350 HydrophobicContact CE2-CB 4.48Å; F34-E350 HydrophobicContact CE2-CG 3.69Å; F34-E350 HydrophobicContact CG-CG 4.02Å; F34-E350 HydrophobicContact CZ-CG 4.32Å; F34-E350 PolarHBondContact N-OE1 3.39Å
35	K	95.8	Very high	77.8	Confident	138 Å²	138	60.6 Å²	60.6	60%	0.6	31%	0.313	S	S	*	.	S	Bend	trans	-115.7	-27.6	178.7	-62.1	-177.5	-178.6	-176.4	0	112	E33 R59 D109	E33-K35 WeakPolarHBondContact OE2-CE 3.38Å; E33-K35 IonicContact OE2-NZ 2.67Å; K35-R59 WeakPolarHBondContact O-CB 3.4Å; K35-R59 PolarHBondContact O-N 3.23Å; K35-D109 WeakPolarHBondContact CA-OD2 3.21Å; K35-D109 WeakPolarHBondContact CB-OD2 3.21Å; K35-D109 PolarHBondContact N-OD2 3.49Å
36	K	97.2	Very high	81.1	Confident	24 Å²	24	56.4 Å²	56.4	10%	0.104	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	129.3	173.3	-176	-178.7	-71.7	-167	0	111.1	R59 V61 E79 H106 V108 D109	K36-R59 CarbonylContact C-O 3.59Å; K36-R59 VanDerWaalsContact CA-O 3.31Å; K36-R59 WeakPolarHBondContact CA-O 3.4Å; K36-V61 HydrophobicContact CD-CG2 3.6Å; K36-V61 HydrophobicContact CG-CG2 3.56Å; K36-E79 VanDerWaalsContact CE-OE1 3.31Å; K36-E79 WeakPolarHBondContact CE-OE1 3.41Å; K36-E79 WeakPolarHBondContact CE-OE2 3.39Å; K36-E79 IonicContact NZ-OE1 3.42Å; K36-E79 PolarHBondContact NZ-OE1 2.86Å; K36-E79 IonicContact NZ-OE2 3.84Å; K36-E79 PolarHBondContact NZ-OE2 3.14Å; K36-H106 WeakPolarHBondContact CD-O 3.37Å; K36-H106 PolarHBondContact NZ-O 2.96Å; K36-V108 HydrophobicContact CD-CG2 3.83Å; K36-V108 HydrophobicContact CG-CG2 4.12Å; K36-D109 PolarHBondContact N-OD2 2.9Å; K36-D109 PolarHBondContact O-N 3.08Å
37	V	98.2	Very high	84.3	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.4	177.5	175.3	0	0	0	0	110.4	F34 L53 I58 R59 S60 V61 A110 H112 I136	F34-V37 HydrophobicContact CB-CG2 3.99Å; F34-V37 HydrophobicContact CD2-CG2 4.26Å; F34-V37 HydrophobicContact CG-CG2 4.31Å; V37-L53 HydrophobicContact CB-CD1 3.82Å; V37-L53 HydrophobicContact CB-CD2 3.6Å; V37-L53 HydrophobicContact CB-CG 4.39Å; V37-L53 HydrophobicContact CG1-CD1 3.92Å; V37-L53 HydrophobicContact CG1-CD2 3.96Å; V37-L53 HydrophobicContact CG2-CD2 3.74Å; V37-I58 HydrophobicContact CB-CG2 4.38Å; V37-I58 HydrophobicContact CG2-CG2 3.75Å; V37-R59 PolarHBondContact N-O 3.15Å; V37-S60 CarbonylContact O-C 3.57Å; V37-S60 WeakPolarHBondContact O-CA 3.43Å; V37-V61 PolarHBondContact O-N 2.98Å; V37-A110 VanDerWaalsContact CA-O 3.27Å; V37-A110 WeakPolarHBondContact CA-O 3.41Å; V37-A110 WeakPolarHBondContact CG1-O 3.29Å; V37-A110 HydrophobicContact CG2-CB 4.12Å; V37-H112 HydrophobicContact CG1-CB 4.31Å; V37-I136 HydrophobicContact CG1-CD1 3.81Å; V37-I136 HydrophobicContact CG2-CD1 4.4Å
38	L	98.5	Very high	87.3	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137.7	173.9	-178	150	0	0	0	110.1	A40 V61 I63 I99 I102 A103 V108 A110 V111 H112	L38-A40 HydrophobicContact CD2-CB 4.04Å; L38-V61 WeakPolarHBondContact CA-O 3.42Å; L38-V61 HydrophobicContact CB-CB 3.96Å; L38-V61 HydrophobicContact CD1-CB 4.29Å; L38-V61 HydrophobicContact CD1-CG1 3.93Å; L38-V61 HydrophobicContact CG-CB 4.13Å; L38-V61 HydrophobicContact CG-CG1 4.24Å; L38-I63 HydrophobicContact CD1-CG2 4.03Å; L38-I63 HydrophobicContact CD2-CG2 4.31Å; L38-I63 HydrophobicContact CG-CG2 4.39Å; L38-I99 HydrophobicContact CD2-CG2 4.02Å; L38-I102 HydrophobicContact CD1-CG2 4.07Å; L38-A103 HydrophobicContact CD1-CB 4.28Å; L38-V108 HydrophobicContact CB-CG1 3.75Å; L38-V108 HydrophobicContact CB-CG2 4.08Å; L38-A110 PolarHBondContact N-O 3.43Å; L38-V111 HydrophobicContact CB-CG2 4.41Å; L38-V111 HydrophobicContact CD2-CG1 4.26Å; L38-V111 HydrophobicContact CD2-CG2 4.38Å; L38-V111 CarbonylContact O-C 3.36Å; L38-V111 VanDerWaalsContact O-CA 3.3Å; L38-V111 WeakPolarHBondContact O-CA 3.45Å; L38-H112 PolarHBondContact O-N 3.43Å
39	V	98.2	Very high	90	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	110.2	174.3	-171.7	0	0	0	0	109.2	N41 A46 V49 F50 L53 V61 H112	V39-N41 HydrophobicContact CG1-CB 4.18Å; V39-N41 PolarHBondContact O-N 3.18Å; V39-A46 HydrophobicContact CG1-CB 4.34Å; V39-V49 HydrophobicContact CG1-CB 4.27Å; V39-V49 HydrophobicContact CG1-CG1 4.49Å; V39-V49 HydrophobicContact CG1-CG2 4.45Å; V39-V49 HydrophobicContact CG2-CB 3.87Å; V39-V49 HydrophobicContact CG2-CG1 3.47Å; V39-V49 VanDerWaalsContact CG2-CG1 3.47Å; V39-F50 HydrophobicContact CB-CD1 4.39Å; V39-F50 HydrophobicContact CB-CE1 3.57Å; V39-F50 HydrophobicContact CB-CZ 3.99Å; V39-F50 HydrophobicContact CG2-CD1 3.7Å; V39-F50 HydrophobicContact CG2-CE1 3.31Å; V39-F50 HydrophobicContact CG2-CZ 4.2Å; V39-L53 HydrophobicContact CG2-CD1 4.15Å; V39-V61 PolarHBondContact N-O 3.21Å; V39-H112 CarbonylContact C-O 3.21Å; V39-H112 VanDerWaalsContact CA-O 3.31Å; V39-H112 WeakPolarHBondContact CA-O 3.31Å; V39-H112 HydrophobicContact CG2-CB 4.3Å
40	A	97.5	Very high	92.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.158	C	C	.	.			trans	-82.9	53.2	-174.4	0	0	0	0	0	111.7	L38 I63 I99 V111 H112 F124	L38-A40 HydrophobicContact CD2-CB 4.04Å; A40-I63 HydrophobicContact CB-CD1 4.22Å; A40-I99 HydrophobicContact CB-CG2 4.08Å; A40-V111 HydrophobicContact CB-CG1 3.8Å; A40-H112 PolarHBondContact N-O 3.18Å; A40-F124 HydrophobicContact CB-CE1 3.91Å; A40-F124 HydrophobicContact CB-CZ 3.68Å
41	N	96.8	Very high	94.2	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	14%	0.144	C	C	.	.			trans	-158.2	-178	-172.1	-143.3	-60.1	0	0	0	111.9	V39 I45 P113 Y115	V39-N41 HydrophobicContact CG1-CB 4.18Å; V39-N41 PolarHBondContact O-N 3.18Å; N41-I45 HydrophobicContact CB-CG2 4.16Å; N41-I45 WeakPolarHBondContact OD1-CG2 3.38Å; N41-P113 PolarHBondContact ND2-O 2.94Å; N41-Y115 PolarHBondContact ND2-N 2.99Å; N41-Y115 PolarHBondContact ND2-O 3.35Å
42	R	95.2	Very high	95.5	Very high	7 Å²	7	27.2 Å²	27.2	3%	0.026	12%	0.116	C	C	.	.			trans	-128.4	-177.6	-179.7	70.2	-179	-58.9	-76.5	-7.3	112.5	I45 A46 D68 H71 Y93 F117 Y419 D420	R42-I45 WeakPolarHBondContact O-CG2 3.22Å; R42-A46 PolarHBondContact O-N 3.37Å; R42-D68 IonicContact CZ-OD1 2.9Å; R42-D68 IonicContact CZ-OD2 3.23Å; R42-D68 IonicContact NE-OD1 3.39Å; R42-D68 IonicContact NE-OD2 2.68Å; R42-D68 PolarHBondContact NE-OD2 2.34Å; R42-D68 IonicContact NH2-OD1 3.81Å; R42-D68 PolarHBondContact NH2-OD1 3.24Å; R42-D68 IonicContact NH2-OD2 2.71Å; R42-D68 PolarHBondContact NH2-OD2 3.4Å; R42-H71 PolarHBondContact NH2-CD2 3.45Å; R42-H71 PolarHBondContact NH2-CE1 3.41Å; R42-H71 VanDerWaalsContact NH2-CE1 3.27Å; R42-H71 PolarHBondContact NH2-NE2 3.44Å; R42-Y93 HydrophobicContact CB-CE1 3.91Å; R42-Y93 HydrophobicContact CB-CE2 4.34Å; R42-Y93 WeakPolarHBondContact CB-OH 3.42Å; R42-F117 HydrophobicContact CG-CE2 3.97Å; R42-F117 HydrophobicContact CG-CZ 4.2Å; R42-Y419 VanDerWaalsContact CZ-CD2 3.47Å; R42-Y419 VanDerWaalsContact CZ-CG 3.44Å; R42-Y419 VanDerWaalsContact NH2-CD2 3.28Å; R42-D420 IonicContact NH1-OD1 3.04Å; R42-D420 PolarHBondContact NH1-OD1 2.91Å
43	G	93.8	Very high	96.5	Very high	3 Å²	3	21.6 Å²	21.6	3%	0.031	10%	0.095	C	C	.	.	H	α-helix	trans	61.7	-145.1	164.7	0	0	0	0	0	114.6	I45 I47	G43-I45 PolarHBondContact O-N 3Å; G43-I47 WeakPolarHBondContact O-CG1 3.32Å; G43-I47 PolarHBondContact O-N 3.34Å
44	E	95.3	Very high	97	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.019	9%	0.088	C	C	.	.	H	α-helix	trans	-66.9	-39.2	-173.1	76.2	83.3	-163.6	0	0	112.2	A46 I47 R48 Y115 A407 L422 K425	E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 3.06Å; E44-I47 CarbonylContact O-C 3.5Å; E44-I47 WeakPolarHBondContact O-CA 3.29Å; E44-I47 WeakPolarHBondContact O-CB 3.23Å; E44-I47 PolarHBondContact O-N 3.4Å; E44-R48 WeakPolarHBondContact O-CB 3.26Å; E44-R48 PolarHBondContact O-N 2.9Å; E44-Y115 WeakPolarHBondContact CG-OH 3.35Å; E44-Y115 WeakPolarHBondContact OE1-CE1 3.41Å; E44-Y115 PolarHBondContact OE1-OH 3.35Å; E44-A407 HydrophobicContact CB-CB 3.9Å; E44-A407 VanDerWaalsContact N-CB 3.32Å; E44-L422 HydrophobicContact CG-CD2 4Å; E44-K425 HydrophobicContact CG-CD 4.02Å; E44-K425 HydrophobicContact CG-CG 4.28Å; E44-K425 WeakPolarHBondContact OE1-CE 3.44Å; E44-K425 IonicContact OE1-NZ 3.91Å; E44-K425 PolarHBondContact OE1-NZ 3.15Å; E44-K425 WeakPolarHBondContact OE2-CE 3.44Å; E44-K425 IonicContact OE2-NZ 3.28Å; E44-K425 PolarHBondContact OE2-NZ 3.38Å
45	I	96.9	Very high	97.1	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-66.3	-36.2	-176.5	-176.8	57.2	0	0	0	112.1	N41 R42 G43 R48 V49 Y115 L326	N41-I45 HydrophobicContact CB-CG2 4.16Å; N41-I45 WeakPolarHBondContact OD1-CG2 3.38Å; R42-I45 WeakPolarHBondContact O-CG2 3.22Å; G43-I45 PolarHBondContact O-N 3Å; I45-R48 HydrophobicContact CD1-CB 4.45Å; I45-R48 HydrophobicContact CD1-CG 4.42Å; I45-R48 PolarHBondContact O-N 3.38Å; I45-V49 HydrophobicContact CD1-CG2 4.08Å; I45-V49 HydrophobicContact CG1-CG2 4.49Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.29Å; I45-V49 PolarHBondContact O-N 3.43Å; I45-Y115 HydrophobicContact CB-CD1 4.05Å; I45-Y115 HydrophobicContact CB-CE1 3.45Å; I45-Y115 VanDerWaalsContact CB-CE1 3.45Å; I45-Y115 HydrophobicContact CB-CE2 4.28Å; I45-Y115 HydrophobicContact CD1-CD1 3.99Å; I45-Y115 HydrophobicContact CD1-CE1 3.85Å; I45-Y115 HydrophobicContact CG1-CD1 3.77Å; I45-Y115 HydrophobicContact CG1-CE1 3.66Å; I45-Y115 HydrophobicContact CG1-CG 4.45Å; I45-Y115 HydrophobicContact CG2-CD1 4.48Å; I45-Y115 HydrophobicContact CG2-CD2 4.44Å; I45-Y115 HydrophobicContact CG2-CE1 4.04Å; I45-Y115 HydrophobicContact CG2-CE2 3.96Å; I45-L326 HydrophobicContact CD1-CD2 3.89Å
46	A	96.9	Very high	97.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.4	-49.2	169.9	0	0	0	0	0	110.8	V39 R42 E44 R48 V49 F50 H73	V39-A46 HydrophobicContact CG1-CB 4.34Å; R42-A46 PolarHBondContact O-N 3.37Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-A46 PolarHBondContact O-N 3.06Å; A46-R48 PolarHBondContact O-N 3.36Å; A46-V49 PolarHBondContact O-N 3.26Å; A46-F50 HydrophobicContact CB-CE2 3.77Å; A46-F50 HydrophobicContact CB-CZ 3.99Å; A46-F50 WeakPolarHBondContact O-CD2 3.44Å; A46-F50 WeakPolarHBondContact O-CE2 3.12Å; A46-F50 WeakPolarHBondContact O-CG 3.12Å; A46-F50 PolarHBondContact O-N 3.01Å; A46-H73 HydrophobicContact CB-CB 3.75Å
47	I	96.9	Very high	97	Very high	18 Å²	18	24.8 Å²	24.8	9%	0.092	12%	0.118	C	C	.	.	H	α-helix	trans	-63.3	-40	178	-62.2	169.2	0	0	0	112.2	G43 E44 V49 F50 R51 M72 H73 K76	G43-I47 WeakPolarHBondContact O-CG1 3.32Å; G43-I47 PolarHBondContact O-N 3.34Å; E44-I47 CarbonylContact O-C 3.5Å; E44-I47 WeakPolarHBondContact O-CA 3.29Å; E44-I47 WeakPolarHBondContact O-CB 3.23Å; E44-I47 PolarHBondContact O-N 3.4Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 PolarHBondContact O-N 2.97Å; I47-F50 PolarHBondContact O-N 3.5Å; I47-R51 WeakPolarHBondContact O-CG 3.42Å; I47-R51 PolarHBondContact O-N 3.16Å; I47-M72 HydrophobicContact CD1-CB 4.12Å; I47-H73 HydrophobicContact CD1-CB 4.23Å; I47-H73 HydrophobicContact CG1-CB 3.8Å; I47-K76 HydrophobicContact CD1-CG 4.4Å; I47-K76 HydrophobicContact CG1-CB 4.15Å; I47-K76 HydrophobicContact CG1-CG 4.09Å; I47-K76 HydrophobicContact CG2-CG 4.35Å
48	R	97.5	Very high	97	Very high	9 Å²	9	25.1 Å²	25.1	3%	0.034	12%	0.12	C	C	.	.	H	α-helix	trans	-62	-39	177.6	170.7	61.3	-169.1	114.9	-8.3	111.9	E44 I45 A46 A52 H330 E334 D340 V342	E44-R48 WeakPolarHBondContact O-CB 3.26Å; E44-R48 PolarHBondContact O-N 2.9Å; I45-R48 HydrophobicContact CD1-CB 4.45Å; I45-R48 HydrophobicContact CD1-CG 4.42Å; I45-R48 PolarHBondContact O-N 3.38Å; A46-R48 PolarHBondContact O-N 3.36Å; R48-A52 PolarHBondContact O-N 3.35Å; R48-H330 PolarHBondContact NE-NE2 2.91Å; R48-E334 IonicContact CZ-OE1 3.62Å; R48-E334 IonicContact CZ-OE2 3.15Å; R48-E334 IonicContact NE-OE1 2.71Å; R48-E334 IonicContact NE-OE2 3.17Å; R48-E334 VanDerWaalsContact NH2-CD 3.33Å; R48-E334 IonicContact NH2-OE1 3.4Å; R48-E334 PolarHBondContact NH2-OE1 2.83Å; R48-E334 IonicContact NH2-OE2 2.78Å; R48-E334 PolarHBondContact NH2-OE2 3.28Å; R48-D340 IonicContact CZ-OD1 3.74Å; R48-D340 IonicContact CZ-OD2 2.74Å; R48-D340 IonicContact NH1-OD1 2.65Å; R48-D340 IonicContact NH1-OD2 3.92Å; R48-D340 PolarHBondContact NH1-OD2 3.03Å; R48-D340 VanDerWaalsContact NH1-OD2 3.11Å; R48-D340 IonicContact NH2-OD1 2.65Å; R48-D340 PolarHBondContact NH2-OD1 3.42Å; R48-D340 IonicContact NH2-OD2 3.97Å; R48-D340 PolarHBondContact NH2-OD2 3.13Å; R48-V342 HydrophobicContact CG-CG2 4.13Å
49	V	98	Very high	97	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-76.7	-38.9	175.4	-178.6	0	0	0	0	111.3	V39 I45 A46 I47 R51 A52 L53 H112 V342	V39-V49 HydrophobicContact CG1-CB 4.27Å; V39-V49 HydrophobicContact CG1-CG1 4.49Å; V39-V49 HydrophobicContact CG1-CG2 4.45Å; V39-V49 HydrophobicContact CG2-CB 3.87Å; V39-V49 HydrophobicContact CG2-CG1 3.47Å; V39-V49 VanDerWaalsContact CG2-CG1 3.47Å; I45-V49 HydrophobicContact CD1-CG2 4.08Å; I45-V49 HydrophobicContact CG1-CG2 4.49Å; I45-V49 VanDerWaalsContact O-CG2 3.25Å; I45-V49 WeakPolarHBondContact O-CG2 3.29Å; I45-V49 PolarHBondContact O-N 3.43Å; A46-V49 PolarHBondContact O-N 3.26Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 PolarHBondContact O-N 2.97Å; V49-R51 VanDerWaalsContact C-N 3.3Å; V49-R51 PolarHBondContact O-N 3.29Å; V49-A52 PolarHBondContact O-N 2.93Å; V49-L53 HydrophobicContact CG1-CD1 3.95Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CG 3.24Å; V49-L53 PolarHBondContact O-N 3.15Å; V49-H112 HydrophobicContact CG1-CB 3.93Å; V49-H112 WeakPolarHBondContact CG2-ND1 3.44Å; V49-V342 HydrophobicContact CB-CG1 4.25Å; V49-V342 HydrophobicContact CG1-CG1 4.28Å; V49-V342 HydrophobicContact CG2-CG1 3.81Å
50	F	97.7	Very high	97	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-36.9	174.4	-56.8	-35.1	0	0	0	112.5	V39 A46 I47 L53 T54 A62 H73 K76 A77	V39-F50 HydrophobicContact CB-CD1 4.39Å; V39-F50 HydrophobicContact CB-CE1 3.57Å; V39-F50 HydrophobicContact CB-CZ 3.99Å; V39-F50 HydrophobicContact CG2-CD1 3.7Å; V39-F50 HydrophobicContact CG2-CE1 3.31Å; V39-F50 HydrophobicContact CG2-CZ 4.2Å; A46-F50 HydrophobicContact CB-CE2 3.77Å; A46-F50 HydrophobicContact CB-CZ 3.99Å; A46-F50 WeakPolarHBondContact O-CD2 3.44Å; A46-F50 WeakPolarHBondContact O-CE2 3.12Å; A46-F50 WeakPolarHBondContact O-CG 3.12Å; A46-F50 PolarHBondContact O-N 3.01Å; I47-F50 PolarHBondContact O-N 3.5Å; F50-L53 HydrophobicContact CD1-CD1 4.41Å; F50-L53 PolarHBondContact O-N 3.49Å; F50-T54 WeakPolarHBondContact O-CB 3.43Å; F50-T54 PolarHBondContact O-N 3.31Å; F50-T54 PolarHBondContact O-OG1 2.88Å; F50-A62 HydrophobicContact CE1-CB 4.5Å; F50-A62 HydrophobicContact CE2-CB 4.07Å; F50-A62 HydrophobicContact CZ-CB 3.6Å; F50-H73 HydrophobicContact CE2-CB 4.23Å; F50-H73 VanDerWaalsContact CE2-O 3.28Å; F50-H73 WeakPolarHBondContact CE2-O 3.46Å; F50-K76 WeakPolarHBondContact CB-O 3.26Å; F50-K76 HydrophobicContact CD2-CB 3.93Å; F50-A77 HydrophobicContact CD1-CB 4.2Å; F50-A77 HydrophobicContact CD2-CB 4.23Å; F50-A77 HydrophobicContact CE1-CB 3.92Å; F50-A77 HydrophobicContact CE2-CB 4Å; F50-A77 HydrophobicContact CG-CB 4.36Å; F50-A77 HydrophobicContact CZ-CB 3.86Å
51	R	97.5	Very high	97	Very high	97 Å²	97	31.5 Å²	31.5	37%	0.366	14%	0.144	S	C	.	.	H	α-helix	trans	-55.8	-57.1	169.9	-74.6	168.9	175.9	176.8	-4.9	110.9	I47 V49 L53 T54 E55 I404 D405	I47-R51 WeakPolarHBondContact O-CG 3.42Å; I47-R51 PolarHBondContact O-N 3.16Å; V49-R51 VanDerWaalsContact C-N 3.3Å; V49-R51 PolarHBondContact O-N 3.29Å; R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 3.02Å; R51-T54 WeakPolarHBondContact O-CB 3.37Å; R51-T54 PolarHBondContact O-N 3.49Å; R51-T54 VanDerWaalsContact O-N 3.11Å; R51-E55 VanDerWaalsContact O-CG 3.27Å; R51-E55 WeakPolarHBondContact O-CG 3.3Å; R51-E55 PolarHBondContact O-N 2.73Å; R51-I404 PolarHBondContact NH2-O 3.1Å; R51-D405 IonicContact NH1-OD2 3.5Å; R51-D405 PolarHBondContact NH1-OD2 3.01Å
52	A	97.8	Very high	97.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.4	-42.1	178.4	0	0	0	0	0	112.9	R48 V49 E55 L56 V342 Q343 I346	R48-A52 PolarHBondContact O-N 3.35Å; V49-A52 PolarHBondContact O-N 2.93Å; A52-E55 WeakPolarHBondContact CA-OE2 3.46Å; A52-E55 PolarHBondContact O-N 3.49Å; A52-L56 WeakPolarHBondContact O-CB 3.4Å; A52-L56 WeakPolarHBondContact O-CG 3.37Å; A52-L56 PolarHBondContact O-N 2.81Å; A52-V342 HydrophobicContact CB-CB 4.09Å; A52-V342 HydrophobicContact CB-CG1 3.73Å; A52-Q343 HydrophobicContact CB-CG 3.83Å; A52-I346 HydrophobicContact CB-CD1 4Å
53	L	98	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-44	175.8	-70	169.6	0	0	0	112.2	V37 V39 V49 F50 R51 L56 H57 I58 I346	V37-L53 HydrophobicContact CB-CD1 3.82Å; V37-L53 HydrophobicContact CB-CD2 3.6Å; V37-L53 HydrophobicContact CB-CG 4.39Å; V37-L53 HydrophobicContact CG1-CD1 3.92Å; V37-L53 HydrophobicContact CG1-CD2 3.96Å; V37-L53 HydrophobicContact CG2-CD2 3.74Å; V39-L53 HydrophobicContact CG2-CD1 4.15Å; V49-L53 HydrophobicContact CG1-CD1 3.95Å; V49-L53 HydrophobicContact CG1-CG 4.2Å; V49-L53 WeakPolarHBondContact O-CG 3.24Å; V49-L53 PolarHBondContact O-N 3.15Å; F50-L53 HydrophobicContact CD1-CD1 4.41Å; F50-L53 PolarHBondContact O-N 3.49Å; R51-L53 VanDerWaalsContact C-N 3.34Å; R51-L53 PolarHBondContact O-N 3.02Å; L53-L56 CarbonylContact O-C 3.59Å; L53-L56 PolarHBondContact O-N 2.82Å; L53-H57 PolarHBondContact O-N 2.75Å; L53-I58 CarbonylContact C-O 3.52Å; L53-I58 HydrophobicContact CB-CB 4.4Å; L53-I58 HydrophobicContact CD2-CB 3.91Å; L53-I58 HydrophobicContact CD2-CD1 4.11Å; L53-I58 HydrophobicContact CD2-CG2 3.86Å; L53-I58 PolarHBondContact O-N 2.74Å; L53-I346 HydrophobicContact CD2-CD1 3.8Å; L53-I346 HydrophobicContact CD2-CG1 4.42Å; L53-I346 HydrophobicContact CG-CD1 4.14Å
54	T	97.1	Very high	97.3	Very high	84 Å²	84	32 Å²	32	52%	0.515	15%	0.145	S	C	.	.	H	α-helix	trans	-61.3	-45.2	176.5	-54.8	0	0	0	0	111.6	F50 R51 L56 H57	F50-T54 WeakPolarHBondContact O-CB 3.43Å; F50-T54 PolarHBondContact O-N 3.31Å; F50-T54 PolarHBondContact O-OG1 2.88Å; R51-T54 WeakPolarHBondContact O-CB 3.37Å; R51-T54 PolarHBondContact O-N 3.49Å; R51-T54 VanDerWaalsContact O-N 3.11Å; T54-L56 VanDerWaalsContact C-N 3.28Å; T54-L56 PolarHBondContact O-N 3.09Å; T54-H57 PolarHBondContact O-N 2.72Å; T54-H57 PolarHBondContact O-ND1 2.96Å
55	E	97.4	Very high	97.2	Very high	97 Å²	97	31.9 Å²	31.9	45%	0.453	15%	0.145	S	C	.	.	H	α-helix	trans	-62.6	-34.2	177.1	-69.7	150.8	-162.1	0	0	112.1	R51 A52 H57 Q343	R51-E55 VanDerWaalsContact O-CG 3.27Å; R51-E55 WeakPolarHBondContact O-CG 3.3Å; R51-E55 PolarHBondContact O-N 2.73Å; A52-E55 WeakPolarHBondContact CA-OE2 3.46Å; A52-E55 PolarHBondContact O-N 3.49Å; E55-H57 VanDerWaalsContact C-N 3.32Å; E55-Q343 PolarHBondContact OE2-NE2 3.02Å
56	L	96.2	Very high	96.9	Very high	19 Å²	19	36 Å²	36	10%	0.099	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.7	174.1	-63.1	-179	0	0	0	114.1	A52 L53 T54 I58 Q343 I346 R347	A52-L56 WeakPolarHBondContact O-CB 3.4Å; A52-L56 WeakPolarHBondContact O-CG 3.37Å; A52-L56 PolarHBondContact O-N 2.81Å; L53-L56 CarbonylContact O-C 3.59Å; L53-L56 PolarHBondContact O-N 2.82Å; T54-L56 VanDerWaalsContact C-N 3.28Å; T54-L56 PolarHBondContact O-N 3.09Å; L56-I58 VanDerWaalsContact C-N 3.34Å; L56-I58 HydrophobicContact CB-CD1 3.78Å; L56-I58 HydrophobicContact CB-CG1 4Å; L56-I58 HydrophobicContact CD1-CD1 4.2Å; L56-Q343 HydrophobicContact CD1-CB 4.13Å; L56-Q343 HydrophobicContact CD1-CG 4.05Å; L56-Q343 HydrophobicContact CD2-CB 4.36Å; L56-Q343 HydrophobicContact CD2-CG 4.11Å; L56-Q343 HydrophobicContact CG-CB 4.47Å; L56-Q343 HydrophobicContact CG-CG 3.99Å; L56-I346 HydrophobicContact CD1-CB 3.97Å; L56-I346 HydrophobicContact CD1-CD1 4.06Å; L56-I346 HydrophobicContact CD1-CG2 3.76Å; L56-R347 HydrophobicContact CD1-CG 4.41Å
57	H	96.5	Very high	96.5	Very high	175 Å²	175	39.7 Å²	39.7	81%	0.81	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	30.2	-177.6	-50.4	-23.5	0	0	0	115.1	L53 T54 E55	L53-H57 PolarHBondContact O-N 2.75Å; T54-H57 PolarHBondContact O-N 2.72Å; T54-H57 PolarHBondContact O-ND1 2.96Å; E55-H57 VanDerWaalsContact C-N 3.32Å
58	I	97.6	Very high	96.2	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.036	18%	0.177	C	C	.	.			trans	-101.9	131.8	179.3	-53.3	170.8	0	0	0	108.4	F34 V37 L53 L56 I346	F34-I58 HydrophobicContact CB-CD1 4.35Å; F34-I58 HydrophobicContact CB-CG2 4.19Å; V37-I58 HydrophobicContact CB-CG2 4.38Å; V37-I58 HydrophobicContact CG2-CG2 3.75Å; L53-I58 CarbonylContact C-O 3.52Å; L53-I58 HydrophobicContact CB-CB 4.4Å; L53-I58 HydrophobicContact CD2-CB 3.91Å; L53-I58 HydrophobicContact CD2-CD1 4.11Å; L53-I58 HydrophobicContact CD2-CG2 3.86Å; L53-I58 PolarHBondContact O-N 2.74Å; L56-I58 VanDerWaalsContact C-N 3.34Å; L56-I58 HydrophobicContact CB-CD1 3.78Å; L56-I58 HydrophobicContact CB-CG1 4Å; L56-I58 HydrophobicContact CD1-CD1 4.2Å; I58-I346 HydrophobicContact CD1-CG2 3.76Å
59	R	97.8	Very high	95.8	Very high	134 Å²	134	44.2 Å²	44.2	51%	0.506	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	147.3	176.3	-93.6	-162	-77.8	173.3	-16.2	111.7	K35 K36 V37 D78 E79	K35-R59 WeakPolarHBondContact O-CB 3.4Å; K35-R59 PolarHBondContact O-N 3.23Å; K36-R59 CarbonylContact C-O 3.59Å; K36-R59 VanDerWaalsContact CA-O 3.31Å; K36-R59 WeakPolarHBondContact CA-O 3.4Å; V37-R59 PolarHBondContact N-O 3.15Å; R59-D78 WeakPolarHBondContact CA-OD2 3.49Å; R59-D78 HydrophobicContact CG-CB 4.14Å; R59-E79 IonicContact CZ-OE1 3.61Å; R59-E79 IonicContact NH1-OE1 3.36Å; R59-E79 PolarHBondContact NH1-OE1 3.17Å
60	S	98	Very high	95.3	Very high	1 Å²	1	51 Å²	51	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.7	-171.7	56.7	0	0	0	0	111.8	V37 A77 D78 E79	V37-S60 CarbonylContact O-C 3.57Å; V37-S60 WeakPolarHBondContact O-CA 3.43Å; S60-A77 VanDerWaalsContact OG-CA 3.25Å; S60-A77 WeakPolarHBondContact OG-CA 3.45Å; S60-D78 PolarHBondContact N-OD2 3.47Å; S60-D78 PolarHBondContact O-N 3.49Å; S60-D78 VanDerWaalsContact O-N 3.14Å; S60-D78 PolarHBondContact OG-N 3.25Å; S60-D78 PolarHBondContact OG-OD2 3.43Å; S60-E79 PolarHBondContact O-N 3.26Å
61	V	98.3	Very high	94.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.5	175.2	-170.2	0	0	0	0	110.9	K36 V37 L38 V39 E79 Y81 V108	K36-V61 HydrophobicContact CD-CG2 3.6Å; K36-V61 HydrophobicContact CG-CG2 3.56Å; V37-V61 PolarHBondContact O-N 2.98Å; L38-V61 WeakPolarHBondContact CA-O 3.42Å; L38-V61 HydrophobicContact CB-CB 3.96Å; L38-V61 HydrophobicContact CD1-CB 4.29Å; L38-V61 HydrophobicContact CD1-CG1 3.93Å; L38-V61 HydrophobicContact CG-CB 4.13Å; L38-V61 HydrophobicContact CG-CG1 4.24Å; V39-V61 PolarHBondContact N-O 3.21Å; V61-E79 CarbonylContact C-O 3.58Å; V61-E79 VanDerWaalsContact CA-O 3.29Å; V61-E79 WeakPolarHBondContact CA-O 3.34Å; V61-E79 HydrophobicContact CG1-CB 4.41Å; V61-E79 HydrophobicContact CG2-CB 4.33Å; V61-Y81 HydrophobicContact CG1-CD2 3.49Å; V61-Y81 VanDerWaalsContact CG1-CD2 3.49Å; V61-Y81 HydrophobicContact CG1-CE2 3.56Å; V61-V108 HydrophobicContact CG2-CG2 4.16Å
62	A	97.9	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	153.9	172.4	0	0	0	0	0	112.4	F50 A77 E79 A80 Y81	F50-A62 HydrophobicContact CE1-CB 4.5Å; F50-A62 HydrophobicContact CE2-CB 4.07Å; F50-A62 HydrophobicContact CZ-CB 3.6Å; A62-A77 HydrophobicContact CB-CB 3.65Å; A62-E79 PolarHBondContact N-O 3.48Å; A62-A80 HydrophobicContact CB-CB 3.96Å; A62-A80 WeakPolarHBondContact O-CA 3.49Å; A62-Y81 PolarHBondContact O-N 3.37Å
63	I	97.4	Very high	94.2	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145.3	162.6	58.6	177.4	0	0	0	109.6	L38 A40 H73 Y81 I83 Y93 I99	L38-I63 HydrophobicContact CD1-CG2 4.03Å; L38-I63 HydrophobicContact CD2-CG2 4.31Å; L38-I63 HydrophobicContact CG-CG2 4.39Å; A40-I63 HydrophobicContact CB-CD1 4.22Å; I63-H73 PolarHBondContact O-NE2 3.1Å; I63-Y81 WeakPolarHBondContact CA-O 3.38Å; I63-I83 HydrophobicContact CB-CD1 3.98Å; I63-I83 HydrophobicContact CB-CG1 4.14Å; I63-I83 HydrophobicContact CB-CG2 4.06Å; I63-I83 HydrophobicContact CD1-CD1 3.87Å; I63-I83 HydrophobicContact CG1-CD1 4.05Å; I63-I83 HydrophobicContact CG2-CG2 4.1Å; I63-Y93 HydrophobicContact CD1-CD1 4.15Å; I63-Y93 HydrophobicContact CD1-CE1 4.48Å; I63-Y93 HydrophobicContact CG1-CD1 4.22Å; I63-Y93 HydrophobicContact CG1-CE1 4.04Å; I63-I99 HydrophobicContact CD1-CD1 3.7Å; I63-I99 HydrophobicContact CD1-CG1 3.79Å; I63-I99 HydrophobicContact CD1-CG2 4.28Å
64	Y	96	Very high	94	Very high	23 Å²	23	53.8 Å²	53.8	9%	0.09	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144	177.4	64.5	-78.6	0	0	0	111.3	R69 R74 A80 Y81 L82 I83	Y64-R69 HydrophobicContact CD2-CB 4.42Å; Y64-R69 HydrophobicContact CE2-CB 4.36Å; Y64-R74 HydrophobicContact CD1-CB 4.41Å; Y64-R74 HydrophobicContact CD1-CG 3.69Å; Y64-R74 HydrophobicContact CE1-CG 3.93Å; Y64-R74 HydrophobicContact CG-CG 4.07Å; Y64-R74 PolarHBondContact OH-NH2 2.89Å; Y64-R74 VanDerWaalsContact OH-NH2 3.08Å; Y64-A80 HydrophobicContact CD1-CB 4.28Å; Y64-A80 HydrophobicContact CE1-CB 4.1Å; Y64-Y81 WeakPolarHBondContact CD1-O 3.4Å; Y64-Y81 WeakPolarHBondContact CE1-O 3.27Å; Y64-Y81 PolarHBondContact N-O 3.23Å; Y64-L82 HydrophobicContact CD2-CD1 4.24Å; Y64-L82 HydrophobicContact CE1-CB 4.49Å; Y64-L82 HydrophobicContact CE2-CB 4.12Å; Y64-L82 HydrophobicContact CE2-CD1 4.09Å; Y64-L82 CarbonylContact O-C 3.42Å; Y64-L82 VanDerWaalsContact O-CA 3.27Å; Y64-L82 WeakPolarHBondContact O-CA 3.26Å; Y64-L82 WeakPolarHBondContact O-CD1 3.5Å; Y64-I83 VanDerWaalsContact C-CG1 3.48Å; Y64-I83 WeakPolarHBondContact O-CG1 3.29Å; Y64-I83 PolarHBondContact O-N 2.65Å
65	S	93.9	Very high	93.8	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.014	25%	0.249	C	C	.	.			trans	-83.4	169.7	166.8	48.8	0	0	0	0	111.1	E67 D68 R69 Y419	S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 PolarHBondContact O-N 2.88Å; S65-D68 CarbonylContact O-C 3.45Å; S65-D68 WeakPolarHBondContact O-CA 2.98Å; S65-D68 PolarHBondContact O-N 3.3Å; S65-R69 PolarHBondContact O-N 2.86Å; S65-Y419 PolarHBondContact OG-OH 2.82Å
66	E	91.2	Very high	93.6	Very high	86 Å²	86	55.9 Å²	55.9	40%	0.402	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-59	-37.3	-177.8	-174.4	57.2	-147.3	0	0	112.5	D68 R69 L82	E66-D68 VanDerWaalsContact C-N 3.29Å; E66-D68 PolarHBondContact O-N 3.41Å; E66-R69 VanDerWaalsContact O-CB 3.26Å; E66-R69 WeakPolarHBondContact O-CB 3.42Å; E66-R69 WeakPolarHBondContact O-CD 3.41Å; E66-R69 WeakPolarHBondContact O-CG 2.54Å; E66-R69 PolarHBondContact O-N 3.31Å; E66-R69 WeakPolarHBondContact OE1-CD 3.44Å; E66-R69 IonicContact OE1-CZ 2.8Å; E66-R69 IonicContact OE1-NE 3.17Å; E66-R69 IonicContact OE1-NH1 3.67Å; E66-R69 PolarHBondContact OE1-NH1 3.21Å; E66-L82 HydrophobicContact CB-CD1 4.5Å
67	E	88.3	Confident	93.6	Very high	78 Å²	78	55.9 Å²	55.9	36%	0.364	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-69.6	-26.8	176.7	-62.4	72.9	-164.2	0	0	112.7	S65 R69 P89 Y418 Y419	S65-E67 VanDerWaalsContact C-N 3.28Å; S65-E67 PolarHBondContact O-N 2.88Å; E67-R69 VanDerWaalsContact C-N 3.33Å; E67-P89 HydrophobicContact CG-CB 4.42Å; E67-P89 HydrophobicContact CG-CG 3.95Å; E67-Y418 HydrophobicContact CB-CD2 4.01Å; E67-Y418 HydrophobicContact CB-CE2 4.39Å; E67-Y418 HydrophobicContact CG-CD2 3.65Å; E67-Y418 HydrophobicContact CG-CE2 3.66Å; E67-Y419 HydrophobicContact CB-CE2 4.44Å
68	D	89.9	Confident	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-88.7	8.2	175.6	-91.3	-16.9	0	0	0	113.4	R42 S65 E66 M70 H71 H73 Y93 Y419	R42-D68 IonicContact CZ-OD1 2.9Å; R42-D68 IonicContact CZ-OD2 3.23Å; R42-D68 IonicContact NE-OD1 3.39Å; R42-D68 IonicContact NE-OD2 2.68Å; R42-D68 PolarHBondContact NE-OD2 2.34Å; R42-D68 IonicContact NH2-OD1 3.81Å; R42-D68 PolarHBondContact NH2-OD1 3.24Å; R42-D68 IonicContact NH2-OD2 2.71Å; R42-D68 PolarHBondContact NH2-OD2 3.4Å; S65-D68 CarbonylContact O-C 3.45Å; S65-D68 WeakPolarHBondContact O-CA 2.98Å; S65-D68 PolarHBondContact O-N 3.3Å; E66-D68 VanDerWaalsContact C-N 3.29Å; E66-D68 PolarHBondContact O-N 3.41Å; D68-M70 PolarHBondContact O-N 2.99Å; D68-H71 HydrophobicContact CB-CB 3.99Å; D68-H71 WeakPolarHBondContact O-CB 3.09Å; D68-H71 PolarHBondContact O-N 2.88Å; D68-H71 IonicContact OD1-CD2 3.27Å; D68-H71 PolarHBondContact OD1-CD2 2.69Å; D68-H71 VanDerWaalsContact OD1-CD2 3.25Å; D68-H71 IonicContact OD1-CG 2.68Å; D68-H71 IonicContact OD1-NE2 3.83Å; D68-H73 IonicContact OD2-CE1 2.92Å; D68-Y93 WeakPolarHBondContact OD2-CE2 3.18Å; D68-Y93 PolarHBondContact OD2-OH 2.89Å; D68-Y419 WeakPolarHBondContact OD1-CE2 3.47Å
69	R	90	Very high	93.6	Very high	122 Å²	122	53.6 Å²	53.6	46%	0.46	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.2	-180	71.4	-167.7	175.6	-159.6	-3.5	114.7	Y64 S65 E66 E67 R74	Y64-R69 HydrophobicContact CD2-CB 4.42Å; Y64-R69 HydrophobicContact CE2-CB 4.36Å; S65-R69 PolarHBondContact O-N 2.86Å; E66-R69 VanDerWaalsContact O-CB 3.26Å; E66-R69 WeakPolarHBondContact O-CB 3.42Å; E66-R69 WeakPolarHBondContact O-CD 3.41Å; E66-R69 WeakPolarHBondContact O-CG 2.54Å; E66-R69 PolarHBondContact O-N 3.31Å; E66-R69 WeakPolarHBondContact OE1-CD 3.44Å; E66-R69 IonicContact OE1-CZ 2.8Å; E66-R69 IonicContact OE1-NE 3.17Å; E66-R69 IonicContact OE1-NH1 3.67Å; E66-R69 PolarHBondContact OE1-NH1 3.21Å; E67-R69 VanDerWaalsContact C-N 3.33Å; R69-R74 WeakPolarHBondContact O-CD 3.3Å; R69-R74 PolarHBondContact O-NH1 3.41Å
70	M	86.4	Confident	93.5	Very high	144 Å²	144	48.7 Å²	48.7	71%	0.709	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	6.7	177.5	-56.3	-55	-177.4	0	0	113.5	D68	D68-M70 PolarHBondContact O-N 2.99Å
71	H	87.6	Confident	93.5	Very high	25 Å²	25	51.5 Å²	51.5	12%	0.116	25%	0.245	C	C	.	.			trans	-84.4	144.9	-169.8	-144.6	-92.6	0	0	0	112.3	R42 D68 H73 R74 A407 S408	R42-H71 PolarHBondContact NH2-CD2 3.45Å; R42-H71 PolarHBondContact NH2-CE1 3.41Å; R42-H71 VanDerWaalsContact NH2-CE1 3.27Å; R42-H71 PolarHBondContact NH2-NE2 3.44Å; D68-H71 HydrophobicContact CB-CB 3.99Å; D68-H71 WeakPolarHBondContact O-CB 3.09Å; D68-H71 PolarHBondContact O-N 2.88Å; D68-H71 IonicContact OD1-CD2 3.27Å; D68-H71 PolarHBondContact OD1-CD2 2.69Å; D68-H71 VanDerWaalsContact OD1-CD2 3.25Å; D68-H71 IonicContact OD1-CG 2.68Å; D68-H71 IonicContact OD1-NE2 3.83Å; H71-H73 VanDerWaalsContact C-N 3.33Å; H71-H73 AromaticContact CG-ND1 3.97Å; H71-H73 AromaticContact ND1-ND1 3.39Å; H71-H73 PolarHBondContact ND1-ND1 2.86Å; H71-H73 PolarHBondContact O-N 3.15Å; H71-R74 WeakPolarHBondContact O-CB 3.48Å; H71-R74 PolarHBondContact O-N 3.38Å; H71-A407 PolarHBondContact CE1-O 2.74Å; H71-S408 PolarHBondContact CE1-OG 2.77Å; H71-S408 WeakPolarHBondContact NE2-CB 3.26Å; H71-S408 PolarHBondContact NE2-OG 2.83Å
72	M	89.9	Confident	93.4	Very high	52 Å²	52	53.7 Å²	53.7	26%	0.256	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-65	-29.9	-167.8	-79.8	-57.8	-54.7	0	0	114.7	I47 R74 L75 K76 F410	I47-M72 HydrophobicContact CD1-CB 4.12Å; M72-R74 VanDerWaalsContact C-N 3.31Å; M72-R74 PolarHBondContact O-N 2.83Å; M72-L75 CarbonylContact O-C 3.57Å; M72-L75 PolarHBondContact O-N 2.75Å; M72-L75 VanDerWaalsContact O-N 3.07Å; M72-K76 WeakPolarHBondContact O-CG 3.37Å; M72-K76 PolarHBondContact O-N 2.69Å; M72-F410 HydrophobicContact CG-CD1 3.74Å; M72-F410 HydrophobicContact CG-CE1 3.65Å; M72-F410 HydrophobicContact SD-CD1 4.13Å; M72-F410 HydrophobicContact SD-CE1 3.95Å
73	H	93.6	Very high	93.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-65.1	-35.9	-177.6	75.3	-80.4	0	0	0	112.3	A46 I47 F50 I63 D68 H71 L75 K76 Y93	A46-H73 HydrophobicContact CB-CB 3.75Å; I47-H73 HydrophobicContact CD1-CB 4.23Å; I47-H73 HydrophobicContact CG1-CB 3.8Å; F50-H73 HydrophobicContact CE2-CB 4.23Å; F50-H73 VanDerWaalsContact CE2-O 3.28Å; F50-H73 WeakPolarHBondContact CE2-O 3.46Å; I63-H73 PolarHBondContact O-NE2 3.1Å; D68-H73 IonicContact OD2-CE1 2.92Å; H71-H73 VanDerWaalsContact C-N 3.33Å; H71-H73 AromaticContact CG-ND1 3.97Å; H71-H73 AromaticContact ND1-ND1 3.39Å; H71-H73 PolarHBondContact ND1-ND1 2.86Å; H71-H73 PolarHBondContact O-N 3.15Å; H73-L75 PolarHBondContact O-N 2.7Å; H73-K76 PolarHBondContact O-N 3.1Å; H73-Y93 PolarHBondContact CE1-OH 2.98Å; H73-Y93 PolarHBondContact NE2-OH 2.85Å
74	R	93.6	Very high	92.9	Very high	80 Å²	80	54 Å²	54	30%	0.302	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36.5	171.8	-177.2	-171.2	175.7	-160.2	1.1	112.2	Y64 R69 H71 M72 A80	Y64-R74 HydrophobicContact CD1-CB 4.41Å; Y64-R74 HydrophobicContact CD1-CG 3.69Å; Y64-R74 HydrophobicContact CE1-CG 3.93Å; Y64-R74 HydrophobicContact CG-CG 4.07Å; Y64-R74 PolarHBondContact OH-NH2 2.89Å; Y64-R74 VanDerWaalsContact OH-NH2 3.08Å; R69-R74 WeakPolarHBondContact O-CD 3.3Å; R69-R74 PolarHBondContact O-NH1 3.41Å; H71-R74 WeakPolarHBondContact O-CB 3.48Å; H71-R74 PolarHBondContact O-N 3.38Å; M72-R74 VanDerWaalsContact C-N 3.31Å; M72-R74 PolarHBondContact O-N 2.83Å; R74-A80 HydrophobicContact CG-CB 3.85Å
75	L	92.1	Very high	92.5	Very high	114 Å²	114	60.4 Å²	60.4	60%	0.597	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-94	10.5	-177	-54.4	179.2	0	0	0	113.2	M72 H73	M72-L75 CarbonylContact O-C 3.57Å; M72-L75 PolarHBondContact O-N 2.75Å; M72-L75 VanDerWaalsContact O-N 3.07Å; H73-L75 PolarHBondContact O-N 2.7Å
76	K	94.1	Very high	92.1	Very high	112 Å²	112	64.4 Å²	64.4	49%	0.487	33%	0.332	S	S	.	.	S	Bend	trans	-116.9	-1.7	177.4	-69.2	-59.6	-176.7	-169.9	0	114.1	I47 F50 M72 H73	I47-K76 HydrophobicContact CD1-CG 4.4Å; I47-K76 HydrophobicContact CG1-CB 4.15Å; I47-K76 HydrophobicContact CG1-CG 4.09Å; I47-K76 HydrophobicContact CG2-CG 4.35Å; F50-K76 WeakPolarHBondContact CB-O 3.26Å; F50-K76 HydrophobicContact CD2-CB 3.93Å; M72-K76 WeakPolarHBondContact O-CG 3.37Å; M72-K76 PolarHBondContact O-N 2.69Å; H73-K76 PolarHBondContact O-N 3.1Å
77	A	95.6	Very high	91.8	Very high	19 Å²	19	64.2 Å²	64.2	16%	0.157	33%	0.333	C	S	.	.	S	Bend	trans	-98.2	159.8	167.3	0	0	0	0	0	111.5	F50 S60 A62 E79	F50-A77 HydrophobicContact CD1-CB 4.2Å; F50-A77 HydrophobicContact CD2-CB 4.23Å; F50-A77 HydrophobicContact CE1-CB 3.92Å; F50-A77 HydrophobicContact CE2-CB 4Å; F50-A77 HydrophobicContact CG-CB 4.36Å; F50-A77 HydrophobicContact CZ-CB 3.86Å; S60-A77 VanDerWaalsContact OG-CA 3.25Å; S60-A77 WeakPolarHBondContact OG-CA 3.45Å; A62-A77 HydrophobicContact CB-CB 3.65Å; A77-E79 VanDerWaalsContact C-N 3.34Å; A77-E79 WeakPolarHBondContact CB-O 3.47Å
78	D	96.9	Very high	91.7	Very high	96 Å²	96	63.1 Å²	63.1	51%	0.513	33%	0.334	S	S	.	.	S	Bend	trans	-69.1	-34	173.7	-58.9	-88.1	0	0	0	112.1	R59 S60	R59-D78 WeakPolarHBondContact CA-OD2 3.49Å; R59-D78 HydrophobicContact CG-CB 4.14Å; S60-D78 PolarHBondContact N-OD2 3.47Å; S60-D78 PolarHBondContact O-N 3.49Å; S60-D78 VanDerWaalsContact O-N 3.14Å; S60-D78 PolarHBondContact OG-N 3.25Å; S60-D78 PolarHBondContact OG-OD2 3.43Å
79	E	96.5	Very high	91.4	Very high	37 Å²	37	64 Å²	64	17%	0.173	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.8	-178	-62.4	169.7	-147.9	0	0	109.1	K36 R59 S60 V61 A62 A77 Y81	K36-E79 VanDerWaalsContact CE-OE1 3.31Å; K36-E79 WeakPolarHBondContact CE-OE1 3.41Å; K36-E79 WeakPolarHBondContact CE-OE2 3.39Å; K36-E79 IonicContact NZ-OE1 3.42Å; K36-E79 PolarHBondContact NZ-OE1 2.86Å; K36-E79 IonicContact NZ-OE2 3.84Å; K36-E79 PolarHBondContact NZ-OE2 3.14Å; R59-E79 IonicContact CZ-OE1 3.61Å; R59-E79 IonicContact NH1-OE1 3.36Å; R59-E79 PolarHBondContact NH1-OE1 3.17Å; S60-E79 PolarHBondContact O-N 3.26Å; V61-E79 CarbonylContact C-O 3.58Å; V61-E79 VanDerWaalsContact CA-O 3.29Å; V61-E79 WeakPolarHBondContact CA-O 3.34Å; V61-E79 HydrophobicContact CG1-CB 4.41Å; V61-E79 HydrophobicContact CG2-CB 4.33Å; A62-E79 PolarHBondContact N-O 3.48Å; A77-E79 VanDerWaalsContact C-N 3.34Å; A77-E79 WeakPolarHBondContact CB-O 3.47Å; E79-Y81 HydrophobicContact CB-CE2 3.99Å; E79-Y81 PolarHBondContact OE2-OH 3.04Å
80	A	97	Very high	91.3	Very high	32 Å²	32	61.3 Å²	61.3	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	130.2	-176.5	0	0	0	0	0	113.4	A62 Y64 R74	A62-A80 HydrophobicContact CB-CB 3.96Å; A62-A80 WeakPolarHBondContact O-CA 3.49Å; Y64-A80 HydrophobicContact CD1-CB 4.28Å; Y64-A80 HydrophobicContact CE1-CB 4.1Å; R74-A80 HydrophobicContact CG-CB 3.85Å
81	Y	97.1	Very high	91.3	Very high	60 Å²	60	55.9 Å²	55.9	24%	0.235	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.5	-171.7	-60	-77.1	0	0	0	113.3	V61 A62 I63 Y64 E79 I102 H106	V61-Y81 HydrophobicContact CG1-CD2 3.49Å; V61-Y81 VanDerWaalsContact CG1-CD2 3.49Å; V61-Y81 HydrophobicContact CG1-CE2 3.56Å; A62-Y81 PolarHBondContact O-N 3.37Å; I63-Y81 WeakPolarHBondContact CA-O 3.38Å; Y64-Y81 WeakPolarHBondContact CD1-O 3.4Å; Y64-Y81 WeakPolarHBondContact CE1-O 3.27Å; Y64-Y81 PolarHBondContact N-O 3.23Å; E79-Y81 HydrophobicContact CB-CE2 3.99Å; E79-Y81 PolarHBondContact OE2-OH 3.04Å; Y81-I102 HydrophobicContact CD2-CG2 3.96Å; Y81-I102 HydrophobicContact CG-CG2 4Å; Y81-H106 AromaticContact CD1-CD2 3.78Å; Y81-H106 AromaticContact CD1-NE2 3.43Å; Y81-H106 WeakPolarHBondContact CD1-NE2 3.24Å; Y81-H106 AromaticContact CD2-CD2 3.66Å; Y81-H106 AromaticContact CE1-CD2 3.45Å; Y81-H106 VanDerWaalsContact CE1-CD2 3.45Å; Y81-H106 WeakPolarHBondContact CE1-CD2 3.43Å; Y81-H106 AromaticContact CE1-CE1 3.62Å; Y81-H106 AromaticContact CE1-CG 3.99Å; Y81-H106 AromaticContact CE1-NE2 3.17Å; Y81-H106 WeakPolarHBondContact CE1-NE2 3.42Å; Y81-H106 HydrophobicContact CE2-CB 4.2Å; Y81-H106 AromaticContact CE2-CD2 3.31Å; Y81-H106 WeakPolarHBondContact CE2-CD2 3.38Å; Y81-H106 AromaticContact CE2-CG 3.75Å; Y81-H106 AromaticContact CE2-NE2 3.98Å; Y81-H106 AromaticContact CG-CD2 3.88Å; Y81-H106 AromaticContact CG-NE2 3.94Å; Y81-H106 AromaticContact CZ-CD2 3.19Å; Y81-H106 AromaticContact CZ-CE1 3.87Å; Y81-H106 AromaticContact CZ-CG 3.45Å; Y81-H106 VanDerWaalsContact CZ-CG 3.45Å; Y81-H106 AromaticContact CZ-ND1 3.85Å; Y81-H106 AromaticContact CZ-NE2 3.47Å
82	L	96.1	Very high	91.5	Very high	45 Å²	45	54.8 Å²	54.8	24%	0.236	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.7	176.7	176	57.2	0	0	0	109.5	Y64 E66 Q85	Y64-L82 HydrophobicContact CD2-CD1 4.24Å; Y64-L82 HydrophobicContact CE1-CB 4.49Å; Y64-L82 HydrophobicContact CE2-CB 4.12Å; Y64-L82 HydrophobicContact CE2-CD1 4.09Å; Y64-L82 CarbonylContact O-C 3.42Å; Y64-L82 VanDerWaalsContact O-CA 3.27Å; Y64-L82 WeakPolarHBondContact O-CA 3.26Å; Y64-L82 WeakPolarHBondContact O-CD1 3.5Å; E66-L82 HydrophobicContact CB-CD1 4.5Å; L82-Q85 HydrophobicContact CD2-CG 4.11Å; L82-Q85 HydrophobicContact CG-CG 4.23Å
83	I	95.8	Very high	91.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.298	C	S	.	.			trans	-124.8	151.3	178.8	46.1	157.4	0	0	0	111.9	I63 Y64 A92 Y93 E98 I99 I102	I63-I83 HydrophobicContact CB-CD1 3.98Å; I63-I83 HydrophobicContact CB-CG1 4.14Å; I63-I83 HydrophobicContact CB-CG2 4.06Å; I63-I83 HydrophobicContact CD1-CD1 3.87Å; I63-I83 HydrophobicContact CG1-CD1 4.05Å; I63-I83 HydrophobicContact CG2-CG2 4.1Å; Y64-I83 VanDerWaalsContact C-CG1 3.48Å; Y64-I83 WeakPolarHBondContact O-CG1 3.29Å; Y64-I83 PolarHBondContact O-N 2.65Å; I83-A92 HydrophobicContact CD1-CB 4.11Å; I83-A92 HydrophobicContact CG1-CB 4.29Å; I83-Y93 HydrophobicContact CD1-CD1 3.73Å; I83-Y93 HydrophobicContact CD1-CD2 4.48Å; I83-Y93 HydrophobicContact CD1-CE1 4Å; I83-Y93 HydrophobicContact CD1-CG 4Å; I83-E98 WeakPolarHBondContact CA-OE1 3.32Å; I83-E98 HydrophobicContact CG2-CG 4.28Å; I83-I99 HydrophobicContact CG2-CG1 4.5Å; I83-I102 HydrophobicContact CG2-CD1 3.48Å; I83-I102 VanDerWaalsContact CG2-CD1 3.48Å
84	G	89.4	Confident	91.7	Very high	7 Å²	7	55.6 Å²	55.6	7%	0.072	32%	0.315	C	S	.	.			trans	69	40.3	168.1	0	0	0	0	0	114.1	G86 L87 E98	G84-G86 PolarHBondContact O-N 2.9Å; G84-G86 VanDerWaalsContact O-N 3.11Å; G84-L87 WeakPolarHBondContact O-CB 3.43Å; G84-L87 PolarHBondContact O-N 2.96Å; G84-E98 WeakPolarHBondContact CA-OE2 3.22Å; G84-E98 PolarHBondContact N-OE1 2.93Å; G84-E98 PolarHBondContact N-OE2 3.12Å
85	Q	88.1	Confident	91.7	Very high	157 Å²	157	54.1 Å²	54.1	73%	0.734	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	118.6	175	-69.5	-171.9	-12.4	0	0	110.9	L82 L87	L82-Q85 HydrophobicContact CD2-CG 4.11Å; L82-Q85 HydrophobicContact CG-CG 4.23Å; Q85-L87 VanDerWaalsContact C-N 3.32Å
86	G	84.4	Confident	91.9	Very high	87 Å²	87	50.6 Å²	50.6	90%	0.897	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	0.2	-176.2	0	0	0	0	0	115.5	G84	G84-G86 PolarHBondContact O-N 2.9Å; G84-G86 VanDerWaalsContact O-N 3.11Å
87	L	86	Confident	91.9	Very high	81 Å²	81	52 Å²	52	42%	0.424	30%	0.301	S	S	.	.	S	Bend	trans	-88.4	161.1	169.4	-58.7	-176	0	0	0	111	G84 Q85 A91 N95	G84-L87 WeakPolarHBondContact O-CB 3.43Å; G84-L87 PolarHBondContact O-N 2.96Å; Q85-L87 VanDerWaalsContact C-N 3.32Å; L87-A91 HydrophobicContact CB-CB 4.31Å; L87-N95 HydrophobicContact CD1-CB 4.37Å
88	S	84.6	Confident	92	Very high	55 Å²	55	53.3 Å²	53.3	39%	0.385	30%	0.304	S	S	.	.			trans	-67.8	152.4	169.2	63.8	0	0	0	0	111.3	V90 A91 A92	S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 3.44Å; S88-V90 VanDerWaalsContact O-N 3.12Å; S88-A91 WeakPolarHBondContact O-CA 3.42Å; S88-A91 WeakPolarHBondContact O-CB 3.31Å; S88-A91 PolarHBondContact O-N 3.09Å; S88-A91 VanDerWaalsContact OG-CB 3.31Å; S88-A91 WeakPolarHBondContact OG-CB 3.46Å; S88-A92 PolarHBondContact O-N 2.9Å
89	P	85.6	Confident	91.9	Very high	19 Å²	19	48.7 Å²	48.7	12%	0.123	28%	0.279	C	S	.	.	H	α-helix	trans	-55.7	-40.8	-166	-24.1	29.9	0	0	0	114.7	E67 Y418 Y419	E67-P89 HydrophobicContact CG-CB 4.42Å; E67-P89 HydrophobicContact CG-CG 3.95Å; P89-Y418 HydrophobicContact CB-CG 4.48Å; P89-Y418 HydrophobicContact CG-CD1 4.09Å; P89-Y418 HydrophobicContact CG-CD2 4.33Å; P89-Y418 HydrophobicContact CG-CG 3.91Å; P89-Y419 HydrophobicContact CB-CE1 3.85Å
90	V	87	Confident	92	Very high	65 Å²	65	47.3 Å²	47.3	39%	0.394	27%	0.273	S	S	.	.	H	α-helix	trans	-74	-32	177.6	179.2	0	0	0	0	112.1	S88 A92 Y93 L94 F117	S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 3.44Å; S88-V90 VanDerWaalsContact O-N 3.12Å; V90-A92 VanDerWaalsContact C-N 3.35Å; V90-Y93 PolarHBondContact O-N 3.32Å; V90-L94 HydrophobicContact CG1-CD1 4.29Å; V90-L94 WeakPolarHBondContact O-CG 3.37Å; V90-F117 HydrophobicContact CG1-CE1 4.26Å
91	A	86.4	Confident	91.9	Very high	31 Å²	31	48.5 Å²	48.5	26%	0.256	28%	0.275	S	S	.	.	H	α-helix	trans	-72.2	-28.4	-179.2	0	0	0	0	0	112.6	L87 S88 Y93 L94 N95	L87-A91 HydrophobicContact CB-CB 4.31Å; S88-A91 WeakPolarHBondContact O-CA 3.42Å; S88-A91 WeakPolarHBondContact O-CB 3.31Å; S88-A91 PolarHBondContact O-N 3.09Å; S88-A91 VanDerWaalsContact OG-CB 3.31Å; S88-A91 WeakPolarHBondContact OG-CB 3.46Å; A91-Y93 PolarHBondContact O-N 3.03Å; A91-L94 PolarHBondContact O-N 2.84Å; A91-L94 VanDerWaalsContact O-N 3.11Å; A91-N95 PolarHBondContact O-N 2.97Å
92	A	92.2	Very high	91.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-54.9	-50.4	171.2	0	0	0	0	0	111.7	I83 S88 V90 L94 N95	I83-A92 HydrophobicContact CD1-CB 4.11Å; I83-A92 HydrophobicContact CG1-CB 4.29Å; S88-A92 PolarHBondContact O-N 2.9Å; V90-A92 VanDerWaalsContact C-N 3.35Å; A92-L94 PolarHBondContact O-N 2.94Å; A92-L94 VanDerWaalsContact O-N 3.17Å; A92-N95 WeakPolarHBondContact O-CB 3.41Å; A92-N95 PolarHBondContact O-N 2.86Å; A92-N95 VanDerWaalsContact O-N 3.14Å
93	Y	94.7	Very high	91.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-5.8	178.1	-73	-78	0	0	0	114.4	R42 I63 D68 H73 I83 V90 A91 F117 Y419	R42-Y93 HydrophobicContact CB-CE1 3.91Å; R42-Y93 HydrophobicContact CB-CE2 4.34Å; R42-Y93 WeakPolarHBondContact CB-OH 3.42Å; I63-Y93 HydrophobicContact CD1-CD1 4.15Å; I63-Y93 HydrophobicContact CD1-CE1 4.48Å; I63-Y93 HydrophobicContact CG1-CD1 4.22Å; I63-Y93 HydrophobicContact CG1-CE1 4.04Å; D68-Y93 WeakPolarHBondContact OD2-CE2 3.18Å; D68-Y93 PolarHBondContact OD2-OH 2.89Å; H73-Y93 PolarHBondContact CE1-OH 2.98Å; H73-Y93 PolarHBondContact NE2-OH 2.85Å; I83-Y93 HydrophobicContact CD1-CD1 3.73Å; I83-Y93 HydrophobicContact CD1-CD2 4.48Å; I83-Y93 HydrophobicContact CD1-CE1 4Å; I83-Y93 HydrophobicContact CD1-CG 4Å; V90-Y93 PolarHBondContact O-N 3.32Å; A91-Y93 PolarHBondContact O-N 3.03Å; Y93-F117 VanDerWaalsContact CB-CE1 3.47Å; Y93-F117 HydrophobicContact CD2-CE1 4.25Å; Y93-F117 HydrophobicContact CD2-CZ 4.44Å; Y93-F117 HydrophobicContact CG-CD1 4.32Å; Y93-F117 HydrophobicContact CG-CE1 4.04Å; Y93-F117 HydrophobicContact CG-CZ 4.36Å; Y93-Y419 HydrophobicContact CD2-CE1 4.48Å; Y93-Y419 HydrophobicContact CE2-CE1 4.19Å
94	L	93.4	Very high	91.9	Very high	70 Å²	70	50.5 Å²	50.5	37%	0.366	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	1.1	174.4	-63.6	173.8	0	0	0	112.6	V90 A91 A92 I96 F117 L118	V90-L94 HydrophobicContact CG1-CD1 4.29Å; V90-L94 WeakPolarHBondContact O-CG 3.37Å; A91-L94 PolarHBondContact O-N 2.84Å; A91-L94 VanDerWaalsContact O-N 3.11Å; A92-L94 PolarHBondContact O-N 2.94Å; A92-L94 VanDerWaalsContact O-N 3.17Å; L94-I96 PolarHBondContact O-N 3.41Å; L94-F117 HydrophobicContact CD2-CB 4.16Å; L94-F117 HydrophobicContact CD2-CD1 4.21Å; L94-F117 HydrophobicContact CG-CD1 4.45Å; L94-L118 HydrophobicContact CB-CD2 4.47Å; L94-L118 HydrophobicContact CD2-CD2 3.87Å; L94-L118 HydrophobicContact CD2-CG 4.28Å
95	N	93.4	Very high	92.2	Very high	49 Å²	49	56.9 Å²	56.9	26%	0.262	31%	0.308	S	S	.	.			trans	-80	79.4	-178.1	-166.8	-4.7	0	0	0	112.3	L87 A91 A92 K97 E98 I99	L87-N95 HydrophobicContact CD1-CB 4.37Å; A91-N95 PolarHBondContact O-N 2.97Å; A92-N95 WeakPolarHBondContact O-CB 3.41Å; A92-N95 PolarHBondContact O-N 2.86Å; A92-N95 VanDerWaalsContact O-N 3.14Å; N95-K97 PolarHBondContact O-N 3.01Å; N95-K97 VanDerWaalsContact O-N 3.14Å; N95-E98 HydrophobicContact CB-CB 4.08Å; N95-E98 VanDerWaalsContact CG-CB 3.49Å; N95-E98 VanDerWaalsContact ND2-CB 3.28Å; N95-E98 WeakPolarHBondContact ND2-CB 3.29Å; N95-E98 PolarHBondContact ND2-OE2 3.46Å; N95-E98 PolarHBondContact O-N 3.29Å; N95-E98 PolarHBondContact OD1-N 2.8Å; N95-I99 WeakPolarHBondContact O-CG1 3.3Å; N95-I99 PolarHBondContact O-N 3.37Å; N95-I99 VanDerWaalsContact O-N 3.09Å
96	I	95.3	Very high	92.6	Very high	40 Å²	40	51 Å²	51	21%	0.205	28%	0.281	C	S	.	.	H	α-helix	trans	-42.4	-48.6	177.3	-72.1	175.2	0	0	0	112.4	L94 V100 L118 E123 F124 A127	L94-I96 PolarHBondContact O-N 3.41Å; I96-V100 WeakPolarHBondContact O-CB 3.24Å; I96-V100 VanDerWaalsContact O-CG2 3.3Å; I96-V100 WeakPolarHBondContact O-CG2 3.41Å; I96-V100 PolarHBondContact O-N 2.64Å; I96-V100 VanDerWaalsContact O-N 3.08Å; I96-L118 HydrophobicContact CD1-CD2 4.21Å; I96-L118 HydrophobicContact CG1-CD1 3.88Å; I96-L118 HydrophobicContact CG1-CD2 3.79Å; I96-L118 HydrophobicContact CG1-CG 4.47Å; I96-E123 HydrophobicContact CD1-CB 4.2Å; I96-F124 HydrophobicContact CB-CD2 4.31Å; I96-F124 HydrophobicContact CD1-CB 4.02Å; I96-F124 HydrophobicContact CG1-CB 4.01Å; I96-F124 HydrophobicContact CG1-CD2 3.95Å; I96-F124 HydrophobicContact CG1-CG 4.34Å; I96-F124 HydrophobicContact CG2-CD2 4.14Å; I96-A127 HydrophobicContact CG2-CB 3.91Å
97	K	95.2	Very high	93.1	Very high	142 Å²	142	53.1 Å²	53.1	62%	0.617	27%	0.272	S	S	*	.	H	α-helix	trans	-64.2	-50.8	-174.8	-177	-172.3	176.5	-61.2	0	111.4	N95 I99 V100 D101	N95-K97 PolarHBondContact O-N 3.01Å; N95-K97 VanDerWaalsContact O-N 3.14Å; K97-I99 PolarHBondContact O-N 2.94Å; K97-V100 PolarHBondContact O-N 3.26Å; K97-D101 IonicContact NZ-OD2 3.05Å; K97-D101 PolarHBondContact NZ-OD2 2.8Å; K97-D101 WeakPolarHBondContact O-CB 3.29Å; K97-D101 PolarHBondContact O-N 2.78Å
98	E	96.1	Very high	93.6	Very high	45 Å²	45	49.8 Å²	49.8	21%	0.21	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-41.1	-177.2	-175.3	177.3	-163.2	0	0	111.6	I83 G84 N95 V100 D101 I102	I83-E98 WeakPolarHBondContact CA-OE1 3.32Å; I83-E98 HydrophobicContact CG2-CG 4.28Å; G84-E98 WeakPolarHBondContact CA-OE2 3.22Å; G84-E98 PolarHBondContact N-OE1 2.93Å; G84-E98 PolarHBondContact N-OE2 3.12Å; N95-E98 HydrophobicContact CB-CB 4.08Å; N95-E98 VanDerWaalsContact CG-CB 3.49Å; N95-E98 VanDerWaalsContact ND2-CB 3.28Å; N95-E98 WeakPolarHBondContact ND2-CB 3.29Å; N95-E98 PolarHBondContact ND2-OE2 3.46Å; N95-E98 PolarHBondContact O-N 3.29Å; N95-E98 PolarHBondContact OD1-N 2.8Å; E98-V100 PolarHBondContact O-N 3.06Å; E98-D101 PolarHBondContact O-N 3.26Å; E98-I102 HydrophobicContact CG-CD1 4.06Å; E98-I102 WeakPolarHBondContact O-CB 3.45Å; E98-I102 VanDerWaalsContact O-CG1 3.27Å; E98-I102 WeakPolarHBondContact O-CG1 3.33Å; E98-I102 PolarHBondContact O-N 2.85Å
99	I	96.8	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-41.3	177.2	-63.5	167.6	0	0	0	111.3	L38 A40 I63 I83 N95 K97 A103 L118 F124	L38-I99 HydrophobicContact CD2-CG2 4.02Å; A40-I99 HydrophobicContact CB-CG2 4.08Å; I63-I99 HydrophobicContact CD1-CD1 3.7Å; I63-I99 HydrophobicContact CD1-CG1 3.79Å; I63-I99 HydrophobicContact CD1-CG2 4.28Å; I83-I99 HydrophobicContact CG2-CG1 4.5Å; N95-I99 WeakPolarHBondContact O-CG1 3.3Å; N95-I99 PolarHBondContact O-N 3.37Å; N95-I99 VanDerWaalsContact O-N 3.09Å; K97-I99 PolarHBondContact O-N 2.94Å; I99-A103 WeakPolarHBondContact O-CB 3.22Å; I99-A103 PolarHBondContact O-N 3.49Å; I99-L118 HydrophobicContact CD1-CD1 3.76Å; I99-F124 HydrophobicContact CB-CE2 4.28Å; I99-F124 HydrophobicContact CG2-CE2 3.87Å; I99-F124 HydrophobicContact CG2-CZ 3.83Å
100	V	96.9	Very high	94.7	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.048	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-37.3	177.1	170.8	0	0	0	0	112.1	I96 K97 E98 A103 R104 F124 A127 A131	I96-V100 WeakPolarHBondContact O-CB 3.24Å; I96-V100 VanDerWaalsContact O-CG2 3.3Å; I96-V100 WeakPolarHBondContact O-CG2 3.41Å; I96-V100 PolarHBondContact O-N 2.64Å; I96-V100 VanDerWaalsContact O-N 3.08Å; K97-V100 PolarHBondContact O-N 3.26Å; E98-V100 PolarHBondContact O-N 3.06Å; V100-A103 PolarHBondContact O-N 3.19Å; V100-R104 PolarHBondContact O-N 3.17Å; V100-F124 HydrophobicContact CG2-CD2 4.41Å; V100-F124 HydrophobicContact CG2-CE2 4.13Å; V100-A127 HydrophobicContact CG2-CB 4.12Å; V100-A131 HydrophobicContact CG1-CB 3.6Å
101	D	96.5	Very high	95.3	Very high	56 Å²	56	45.4 Å²	45.4	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	-67.7	-44.2	177	-73.6	-27.4	0	0	0	111.7	K97 E98 A103 R104 E105	K97-D101 IonicContact NZ-OD2 3.05Å; K97-D101 PolarHBondContact NZ-OD2 2.8Å; K97-D101 WeakPolarHBondContact O-CB 3.29Å; K97-D101 PolarHBondContact O-N 2.78Å; E98-D101 PolarHBondContact O-N 3.26Å; D101-A103 VanDerWaalsContact C-N 3.3Å; D101-A103 PolarHBondContact O-N 3.33Å; D101-R104 PolarHBondContact O-N 3.25Å; D101-R104 IonicContact OD1-NH1 2.95Å; D101-E105 PolarHBondContact O-N 2.85Å
102	I	96.1	Very high	95.8	Very high	19 Å²	19	43.9 Å²	43.9	10%	0.097	21%	0.211	C	C	.	.	H	α-helix	trans	-57.8	-43.2	172.2	-72.3	169.3	0	0	0	110.9	L38 Y81 I83 E98 R104 E105 H106	L38-I102 HydrophobicContact CD1-CG2 4.07Å; Y81-I102 HydrophobicContact CD2-CG2 3.96Å; Y81-I102 HydrophobicContact CG-CG2 4Å; I83-I102 HydrophobicContact CG2-CD1 3.48Å; I83-I102 VanDerWaalsContact CG2-CD1 3.48Å; E98-I102 HydrophobicContact CG-CD1 4.06Å; E98-I102 WeakPolarHBondContact O-CB 3.45Å; E98-I102 VanDerWaalsContact O-CG1 3.27Å; E98-I102 WeakPolarHBondContact O-CG1 3.33Å; E98-I102 PolarHBondContact O-N 2.85Å; I102-R104 PolarHBondContact O-N 2.94Å; I102-E105 PolarHBondContact O-N 2.85Å; I102-H106 PolarHBondContact O-CD2 3.19Å; I102-H106 VanDerWaalsContact O-CD2 3.29Å; I102-H106 PolarHBondContact O-N 2.93Å; I102-H106 VanDerWaalsContact O-N 3.11Å
103	A	96.3	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-38.5	178.7	0	0	0	0	0	112.3	L38 I99 V100 D101 N107 V108 V111 I133	L38-A103 HydrophobicContact CD1-CB 4.28Å; I99-A103 WeakPolarHBondContact O-CB 3.22Å; I99-A103 PolarHBondContact O-N 3.49Å; V100-A103 PolarHBondContact O-N 3.19Å; D101-A103 VanDerWaalsContact C-N 3.3Å; D101-A103 PolarHBondContact O-N 3.33Å; A103-N107 PolarHBondContact O-N 2.94Å; A103-V108 HydrophobicContact CB-CB 4.05Å; A103-V108 HydrophobicContact CB-CG1 4.44Å; A103-V108 HydrophobicContact CB-CG2 4.23Å; A103-V108 VanDerWaalsContact O-CB 3.29Å; A103-V108 WeakPolarHBondContact O-CB 3.27Å; A103-V108 WeakPolarHBondContact O-CG2 3.32Å; A103-V108 PolarHBondContact O-N 3.41Å; A103-V111 HydrophobicContact CB-CG2 4.38Å; A103-I133 HydrophobicContact CB-CD1 3.62Å
104	R	95.7	Very high	96.1	Very high	128 Å²	128	44.2 Å²	44.2	48%	0.483	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-50.5	171.1	-75.2	-179.6	177.2	145.7	-3.8	112	V100 D101 I102 H106 N107 A131 I133	V100-R104 PolarHBondContact O-N 3.17Å; D101-R104 PolarHBondContact O-N 3.25Å; D101-R104 IonicContact OD1-NH1 2.95Å; I102-R104 PolarHBondContact O-N 2.94Å; R104-H106 VanDerWaalsContact C-N 3.31Å; R104-H106 PolarHBondContact O-N 2.98Å; R104-N107 PolarHBondContact O-N 2.87Å; R104-A131 HydrophobicContact CG-CB 4.17Å; R104-A131 VanDerWaalsContact NE-CB 3.34Å; R104-I133 HydrophobicContact CG-CD1 4.07Å
105	E	95.6	Very high	96.1	Very high	142 Å²	142	42.5 Å²	42.5	66%	0.664	20%	0.202	S	C	*	.	H	α-helix	trans	-58.2	-43.9	-174.1	-171.2	178.8	147.3	0	0	111.7	D101 I102 N107	D101-E105 PolarHBondContact O-N 2.85Å; I102-E105 PolarHBondContact O-N 2.85Å; E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 3.48Å; E105-N107 PolarHBondContact O-ND2 2.95Å; E105-N107 VanDerWaalsContact O-ND2 3.07Å
106	H	95.7	Very high	96	Very high	34 Å²	34	41.9 Å²	41.9	16%	0.157	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	12.9	-176.4	-53.4	-44.4	0	0	0	114.1	K36 Y81 I102 R104	K36-H106 WeakPolarHBondContact CD-O 3.37Å; K36-H106 PolarHBondContact NZ-O 2.96Å; Y81-H106 AromaticContact CD1-CD2 3.78Å; Y81-H106 AromaticContact CD1-NE2 3.43Å; Y81-H106 WeakPolarHBondContact CD1-NE2 3.24Å; Y81-H106 AromaticContact CD2-CD2 3.66Å; Y81-H106 AromaticContact CE1-CD2 3.45Å; Y81-H106 VanDerWaalsContact CE1-CD2 3.45Å; Y81-H106 WeakPolarHBondContact CE1-CD2 3.43Å; Y81-H106 AromaticContact CE1-CE1 3.62Å; Y81-H106 AromaticContact CE1-CG 3.99Å; Y81-H106 AromaticContact CE1-NE2 3.17Å; Y81-H106 WeakPolarHBondContact CE1-NE2 3.42Å; Y81-H106 HydrophobicContact CE2-CB 4.2Å; Y81-H106 AromaticContact CE2-CD2 3.31Å; Y81-H106 WeakPolarHBondContact CE2-CD2 3.38Å; Y81-H106 AromaticContact CE2-CG 3.75Å; Y81-H106 AromaticContact CE2-NE2 3.98Å; Y81-H106 AromaticContact CG-CD2 3.88Å; Y81-H106 AromaticContact CG-NE2 3.94Å; Y81-H106 AromaticContact CZ-CD2 3.19Å; Y81-H106 AromaticContact CZ-CE1 3.87Å; Y81-H106 AromaticContact CZ-CG 3.45Å; Y81-H106 VanDerWaalsContact CZ-CG 3.45Å; Y81-H106 AromaticContact CZ-ND1 3.85Å; Y81-H106 AromaticContact CZ-NE2 3.47Å; I102-H106 PolarHBondContact O-CD2 3.19Å; I102-H106 VanDerWaalsContact O-CD2 3.29Å; I102-H106 PolarHBondContact O-N 2.93Å; I102-H106 VanDerWaalsContact O-N 3.11Å; R104-H106 VanDerWaalsContact C-N 3.31Å; R104-H106 PolarHBondContact O-N 2.98Å
107	N	95.3	Very high	95.8	Very high	131 Å²	131	42.6 Å²	42.6	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	56.3	174.5	-62.1	-111	0	0	0	112	A103 R104 E105	A103-N107 PolarHBondContact O-N 2.94Å; R104-N107 PolarHBondContact O-N 2.87Å; E105-N107 VanDerWaalsContact C-N 3.31Å; E105-N107 PolarHBondContact O-N 3.48Å; E105-N107 PolarHBondContact O-ND2 2.95Å; E105-N107 VanDerWaalsContact O-ND2 3.07Å
108	V	97	Very high	95.7	Very high	10 Å²	10	35.9 Å²	35.9	6%	0.061	18%	0.18	C	C	.	.			trans	-84.4	131.1	175.7	176.3	0	0	0	0	110.1	K36 L38 V61 A103 A110 I133	K36-V108 HydrophobicContact CD-CG2 3.83Å; K36-V108 HydrophobicContact CG-CG2 4.12Å; L38-V108 HydrophobicContact CB-CG1 3.75Å; L38-V108 HydrophobicContact CB-CG2 4.08Å; V61-V108 HydrophobicContact CG2-CG2 4.16Å; A103-V108 HydrophobicContact CB-CB 4.05Å; A103-V108 HydrophobicContact CB-CG1 4.44Å; A103-V108 HydrophobicContact CB-CG2 4.23Å; A103-V108 VanDerWaalsContact O-CB 3.29Å; A103-V108 WeakPolarHBondContact O-CB 3.27Å; A103-V108 WeakPolarHBondContact O-CG2 3.32Å; A103-V108 PolarHBondContact O-N 3.41Å; V108-A110 WeakPolarHBondContact CG1-O 3.48Å; V108-I133 HydrophobicContact CG1-CG2 4.49Å
109	D	96.8	Very high	95.5	Very high	46 Å²	46	33.8 Å²	33.8	25%	0.246	17%	0.17	C	C	.	.	S	Bend	trans	-81.1	-35.2	179.6	-57.3	-69	0	0	0	112.5	F34 K35 K36 A134	F34-D109 HydrophobicContact CB-CB 4.34Å; F34-D109 HydrophobicContact CD1-CB 3.79Å; F34-D109 HydrophobicContact CG-CB 4.41Å; K35-D109 WeakPolarHBondContact CA-OD2 3.21Å; K35-D109 WeakPolarHBondContact CB-OD2 3.21Å; K35-D109 PolarHBondContact N-OD2 3.49Å; K36-D109 PolarHBondContact N-OD2 2.9Å; K36-D109 PolarHBondContact O-N 3.08Å; D109-A134 PolarHBondContact O-N 3.43Å
110	A	97.3	Very high	95.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.9	-179.6	0	0	0	0	0	114.1	F34 V37 L38 V108 A134 I136	F34-A110 HydrophobicContact CD1-CB 4.04Å; F34-A110 HydrophobicContact CD2-CB 4.09Å; F34-A110 HydrophobicContact CE1-CB 3.81Å; F34-A110 HydrophobicContact CE2-CB 3.86Å; F34-A110 HydrophobicContact CG-CB 4.18Å; F34-A110 HydrophobicContact CZ-CB 3.71Å; V37-A110 VanDerWaalsContact CA-O 3.27Å; V37-A110 WeakPolarHBondContact CA-O 3.41Å; V37-A110 WeakPolarHBondContact CG1-O 3.29Å; V37-A110 HydrophobicContact CG2-CB 4.12Å; L38-A110 PolarHBondContact N-O 3.43Å; V108-A110 WeakPolarHBondContact CG1-O 3.48Å; A110-A134 CarbonylContact C-O 3.6Å; A110-A134 WeakPolarHBondContact CA-O 3.5Å; A110-A134 HydrophobicContact CB-CB 3.77Å; A110-A134 WeakPolarHBondContact CB-O 3.31Å; A110-I136 HydrophobicContact CB-CD1 3.91Å; A110-I136 HydrophobicContact CB-CG1 3.93Å
111	V	98	Very high	94.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	127.5	172.9	175.8	0	0	0	0	110.4	L38 A40 A103 F124 I133 A134 I136	L38-V111 HydrophobicContact CB-CG2 4.41Å; L38-V111 HydrophobicContact CD2-CG1 4.26Å; L38-V111 HydrophobicContact CD2-CG2 4.38Å; L38-V111 CarbonylContact O-C 3.36Å; L38-V111 VanDerWaalsContact O-CA 3.3Å; L38-V111 WeakPolarHBondContact O-CA 3.45Å; A40-V111 HydrophobicContact CB-CG1 3.8Å; A103-V111 HydrophobicContact CB-CG2 4.38Å; V111-F124 HydrophobicContact CG1-CE1 4Å; V111-F124 HydrophobicContact CG1-CZ 3.83Å; V111-I133 HydrophobicContact CG2-CG2 3.97Å; V111-A134 PolarHBondContact N-O 3.06Å; V111-I136 PolarHBondContact O-N 2.65Å
112	H	98.2	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.7	166.2	-163.2	-75.2	0	0	0	109.5	V37 L38 V39 A40 V49 G114 I136	V37-H112 HydrophobicContact CG1-CB 4.31Å; L38-H112 PolarHBondContact O-N 3.43Å; V39-H112 CarbonylContact C-O 3.21Å; V39-H112 VanDerWaalsContact CA-O 3.31Å; V39-H112 WeakPolarHBondContact CA-O 3.31Å; V39-H112 HydrophobicContact CG2-CB 4.3Å; A40-H112 PolarHBondContact N-O 3.18Å; V49-H112 HydrophobicContact CG1-CB 3.93Å; V49-H112 WeakPolarHBondContact CG2-ND1 3.44Å; H112-G114 PolarHBondContact ND1-N 2.82Å; H112-G114 VanDerWaalsContact ND1-N 3.16Å; H112-I136 HydrophobicContact CB-CB 4.39Å; H112-I136 HydrophobicContact CB-CD1 4.21Å
113	P	97.2	Very high	94.3	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.032	21%	0.209	C	C	.	.			trans	-86.5	-16.4	-175.2	37.2	-39.4	0	0	0	113.5	N41 F124 F135 I136	N41-P113 PolarHBondContact ND2-O 2.94Å; P113-F124 HydrophobicContact CB-CE1 4.37Å; P113-F135 HydrophobicContact CB-CE2 3.98Å; P113-F135 HydrophobicContact CB-CZ 4.15Å; P113-F135 HydrophobicContact CG-CE1 4.49Å; P113-F135 HydrophobicContact CG-CE2 3.88Å; P113-F135 HydrophobicContact CG-CZ 3.69Å; P113-I136 VanDerWaalsContact CD-O 3.29Å; P113-I136 WeakPolarHBondContact CD-O 3.23Å
114	G	95.8	Very high	94.2	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.021	21%	0.209	C	C	.	.			trans	72.8	-129.2	-175.6	0	0	0	0	0	111.6	H112 S119	H112-G114 PolarHBondContact ND1-N 2.82Å; H112-G114 VanDerWaalsContact ND1-N 3.16Å; G114-S119 WeakPolarHBondContact O-CB 3.5Å
115	Y	93.8	Very high	94.2	Very high	34 Å²	34	36.5 Å²	36.5	13%	0.133	19%	0.186	C	C	.	.	S	Bend	trans	-135.2	154.7	172.9	55.9	-115.3	0	0	0	111.4	N41 E44 I45 S119 L326 V328	N41-Y115 PolarHBondContact ND2-N 2.99Å; N41-Y115 PolarHBondContact ND2-O 3.35Å; E44-Y115 WeakPolarHBondContact CG-OH 3.35Å; E44-Y115 WeakPolarHBondContact OE1-CE1 3.41Å; E44-Y115 PolarHBondContact OE1-OH 3.35Å; I45-Y115 HydrophobicContact CB-CD1 4.05Å; I45-Y115 HydrophobicContact CB-CE1 3.45Å; I45-Y115 VanDerWaalsContact CB-CE1 3.45Å; I45-Y115 HydrophobicContact CB-CE2 4.28Å; I45-Y115 HydrophobicContact CD1-CD1 3.99Å; I45-Y115 HydrophobicContact CD1-CE1 3.85Å; I45-Y115 HydrophobicContact CG1-CD1 3.77Å; I45-Y115 HydrophobicContact CG1-CE1 3.66Å; I45-Y115 HydrophobicContact CG1-CG 4.45Å; I45-Y115 HydrophobicContact CG2-CD1 4.48Å; I45-Y115 HydrophobicContact CG2-CD2 4.44Å; I45-Y115 HydrophobicContact CG2-CE1 4.04Å; I45-Y115 HydrophobicContact CG2-CE2 3.96Å; Y115-S119 VanDerWaalsContact C-OG 3.29Å; Y115-S119 WeakPolarHBondContact CA-OG 3.27Å; Y115-L326 WeakPolarHBondContact CB-O 3.09Å; Y115-V328 HydrophobicContact CD1-CG2 4.12Å; Y115-V328 HydrophobicContact CD2-CG2 3.93Å; Y115-V328 HydrophobicContact CE1-CB 4.25Å; Y115-V328 HydrophobicContact CE1-CG2 3.65Å; Y115-V328 HydrophobicContact CE2-CG2 3.48Å; Y115-V328 VanDerWaalsContact CE2-CG2 3.48Å; Y115-V328 HydrophobicContact CG-CG2 4.26Å
116	G	89.5	Confident	94.2	Very high	36 Å²	36	32.7 Å²	32.7	37%	0.371	17%	0.168	S	C	.	.	S	Bend	trans	66.3	-165.7	-169.4	0	0	0	0	0	113	L118 S119	G116-L118 PolarHBondContact O-N 3.24Å; G116-S119 PolarHBondContact N-OG 3.35Å; G116-S119 WeakPolarHBondContact O-CB 3.41Å; G116-S119 PolarHBondContact O-N 3.45Å; G116-S119 PolarHBondContact O-OG 3.47Å
117	F	91.3	Very high	94.2	Very high	56 Å²	56	32.3 Å²	32.3	25%	0.246	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-108.1	-176.3	-60.8	-78.8	0	0	0	113.3	R42 V90 Y93 L94	R42-F117 HydrophobicContact CG-CE2 3.97Å; R42-F117 HydrophobicContact CG-CZ 4.2Å; V90-F117 HydrophobicContact CG1-CE1 4.26Å; Y93-F117 VanDerWaalsContact CB-CE1 3.47Å; Y93-F117 HydrophobicContact CD2-CE1 4.25Å; Y93-F117 HydrophobicContact CD2-CZ 4.44Å; Y93-F117 HydrophobicContact CG-CD1 4.32Å; Y93-F117 HydrophobicContact CG-CE1 4.04Å; Y93-F117 HydrophobicContact CG-CZ 4.36Å; L94-F117 HydrophobicContact CD2-CB 4.16Å; L94-F117 HydrophobicContact CD2-CD1 4.21Å; L94-F117 HydrophobicContact CG-CD1 4.45Å
118	L	93	Very high	94.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.5	-175.7	-59.5	175.9	0	0	0	113.9	L94 I96 I99 G116 E120 Q121 F124	L94-L118 HydrophobicContact CB-CD2 4.47Å; L94-L118 HydrophobicContact CD2-CD2 3.87Å; L94-L118 HydrophobicContact CD2-CG 4.28Å; I96-L118 HydrophobicContact CD1-CD2 4.21Å; I96-L118 HydrophobicContact CG1-CD1 3.88Å; I96-L118 HydrophobicContact CG1-CD2 3.79Å; I96-L118 HydrophobicContact CG1-CG 4.47Å; I99-L118 HydrophobicContact CD1-CD1 3.76Å; G116-L118 PolarHBondContact O-N 3.24Å; L118-E120 VanDerWaalsContact C-N 3.26Å; L118-E120 PolarHBondContact O-N 3.34Å; L118-Q121 HydrophobicContact CD2-CG 4.36Å; L118-Q121 PolarHBondContact O-N 3.02Å; L118-Q121 VanDerWaalsContact O-N 3.1Å; L118-F124 HydrophobicContact CB-CB 4.06Å; L118-F124 HydrophobicContact CB-CD1 3.41Å; L118-F124 VanDerWaalsContact CB-CD1 3.41Å; L118-F124 HydrophobicContact CB-CE1 3.89Å; L118-F124 HydrophobicContact CB-CG 3.76Å; L118-F124 HydrophobicContact CD1-CD1 4.11Å; L118-F124 HydrophobicContact CD1-CD2 3.8Å; L118-F124 HydrophobicContact CD1-CE1 4.19Å; L118-F124 HydrophobicContact CD1-CE2 3.89Å; L118-F124 HydrophobicContact CD1-CG 3.9Å; L118-F124 HydrophobicContact CD1-CZ 4.08Å; L118-F124 HydrophobicContact CG-CD1 4.38Å; L118-F124 HydrophobicContact CG-CG 4.36Å
119	S	92.1	Very high	94.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.4	-172.6	56.4	0	0	0	0	116.4	G114 Y115 G116 M143 R325	G114-S119 WeakPolarHBondContact O-CB 3.5Å; Y115-S119 VanDerWaalsContact C-OG 3.29Å; Y115-S119 WeakPolarHBondContact CA-OG 3.27Å; G116-S119 PolarHBondContact N-OG 3.35Å; G116-S119 WeakPolarHBondContact O-CB 3.41Å; G116-S119 PolarHBondContact O-N 3.45Å; G116-S119 PolarHBondContact O-OG 3.47Å; S119-M143 WeakPolarHBondContact O-CE 3.33Å; S119-R325 VanDerWaalsContact OG-CD 3.25Å; S119-R325 WeakPolarHBondContact OG-CD 3.46Å
120	E	88.3	Confident	94	Very high	80 Å²	80	32.4 Å²	32.4	37%	0.374	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-0.6	172.7	-73.9	167.4	172.9	0	0	112.8	L118 A122 M143 R325	L118-E120 VanDerWaalsContact C-N 3.26Å; L118-E120 PolarHBondContact O-N 3.34Å; E120-A122 PolarHBondContact O-N 2.87Å; E120-M143 VanDerWaalsContact C-CE 3.44Å; E120-R325 VanDerWaalsContact CD-NE 3.3Å; E120-R325 HydrophobicContact CG-CG 4.07Å; E120-R325 IonicContact OE1-CZ 3.31Å; E120-R325 IonicContact OE1-NE 2.67Å; E120-R325 PolarHBondContact OE1-NE 2.79Å; E120-R325 IonicContact OE1-NH2 3.82Å; E120-R325 PolarHBondContact OE1-NH2 3.22Å; E120-R325 IonicContact OE2-NE 3.7Å; E120-R325 IonicContact OE2-NH2 2.76Å
121	Q	88.7	Confident	93.9	Very high	72 Å²	72	33.4 Å²	33.4	34%	0.336	18%	0.179	S	C	.	.			trans	-83.1	109.3	-179.5	-64.4	-165.9	19.6	0	0	111	L118 E123 F124 A125	L118-Q121 HydrophobicContact CD2-CG 4.36Å; L118-Q121 PolarHBondContact O-N 3.02Å; L118-Q121 VanDerWaalsContact O-N 3.1Å; Q121-E123 PolarHBondContact O-N 3.24Å; Q121-F124 HydrophobicContact CB-CB 4.24Å; Q121-F124 PolarHBondContact O-N 3.31Å; Q121-F124 VanDerWaalsContact O-N 3.12Å; Q121-A125 PolarHBondContact O-N 3.5Å
122	A	91.7	Very high	93.6	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-23.9	178.7	0	0	0	0	0	112.6	E120 Q126 P140 M143 R144	E120-A122 PolarHBondContact O-N 2.87Å; A122-Q126 VanDerWaalsContact O-CB 3.23Å; A122-Q126 WeakPolarHBondContact O-CB 3.33Å; A122-Q126 PolarHBondContact O-N 3.42Å; A122-P140 HydrophobicContact CB-CB 4.42Å; A122-M143 HydrophobicContact CB-CB 3.86Å; A122-R144 HydrophobicContact CB-CG 3.5Å; A122-R144 VanDerWaalsContact CB-CG 3.5Å
123	E	93.2	Very high	93.5	Very high	113 Å²	113	35.6 Å²	35.6	53%	0.528	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-41.2	174.8	-65.6	60.3	-132.2	0	0	110.6	I96 Q121 A127	I96-E123 HydrophobicContact CD1-CB 4.2Å; Q121-E123 PolarHBondContact O-N 3.24Å; E123-A127 VanDerWaalsContact O-CB 3.3Å; E123-A127 WeakPolarHBondContact O-CB 3.31Å; E123-A127 PolarHBondContact O-N 2.9Å
124	F	94.8	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.4	-46.5	176.3	-178.8	-127.4	0	0	0	111.3	A40 I96 I99 V100 V111 P113 L118 Q121 Q126 A127 C128 F135	A40-F124 HydrophobicContact CB-CE1 3.91Å; A40-F124 HydrophobicContact CB-CZ 3.68Å; I96-F124 HydrophobicContact CB-CD2 4.31Å; I96-F124 HydrophobicContact CD1-CB 4.02Å; I96-F124 HydrophobicContact CG1-CB 4.01Å; I96-F124 HydrophobicContact CG1-CD2 3.95Å; I96-F124 HydrophobicContact CG1-CG 4.34Å; I96-F124 HydrophobicContact CG2-CD2 4.14Å; I99-F124 HydrophobicContact CB-CE2 4.28Å; I99-F124 HydrophobicContact CG2-CE2 3.87Å; I99-F124 HydrophobicContact CG2-CZ 3.83Å; V100-F124 HydrophobicContact CG2-CD2 4.41Å; V100-F124 HydrophobicContact CG2-CE2 4.13Å; V111-F124 HydrophobicContact CG1-CE1 4Å; V111-F124 HydrophobicContact CG1-CZ 3.83Å; P113-F124 HydrophobicContact CB-CE1 4.37Å; L118-F124 HydrophobicContact CB-CB 4.06Å; L118-F124 HydrophobicContact CB-CD1 3.41Å; L118-F124 VanDerWaalsContact CB-CD1 3.41Å; L118-F124 HydrophobicContact CB-CE1 3.89Å; L118-F124 HydrophobicContact CB-CG 3.76Å; L118-F124 HydrophobicContact CD1-CD1 4.11Å; L118-F124 HydrophobicContact CD1-CD2 3.8Å; L118-F124 HydrophobicContact CD1-CE1 4.19Å; L118-F124 HydrophobicContact CD1-CE2 3.89Å; L118-F124 HydrophobicContact CD1-CG 3.9Å; L118-F124 HydrophobicContact CD1-CZ 4.08Å; L118-F124 HydrophobicContact CG-CD1 4.38Å; L118-F124 HydrophobicContact CG-CG 4.36Å; Q121-F124 HydrophobicContact CB-CB 4.24Å; Q121-F124 PolarHBondContact O-N 3.31Å; Q121-F124 VanDerWaalsContact O-N 3.12Å; F124-Q126 VanDerWaalsContact C-N 3.3Å; F124-Q126 PolarHBondContact O-N 2.97Å; F124-A127 PolarHBondContact O-N 2.93Å; F124-C128 PolarHBondContact O-N 2.96Å; F124-C128 PolarHBondContact O-SG 3.15Å; F124-F135 AromaticContact CD1-CE2 3.86Å; F124-F135 HydrophobicContact CD1-CE2 3.86Å; F124-F135 HydrophobicContact CE1-CE2 4.17Å
125	A	94.6	Very high	93.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.6	-40.4	175.9	0	0	0	0	0	112.2	Q121 L129 F135 P140 M143	Q121-A125 PolarHBondContact O-N 3.5Å; A125-L129 WeakPolarHBondContact O-CG 3.28Å; A125-L129 PolarHBondContact O-N 3.47Å; A125-F135 HydrophobicContact CB-CB 4.47Å; A125-F135 HydrophobicContact CB-CD1 3.63Å; A125-F135 HydrophobicContact CB-CD2 3.88Å; A125-F135 HydrophobicContact CB-CE1 3.64Å; A125-F135 HydrophobicContact CB-CE2 3.89Å; A125-F135 HydrophobicContact CB-CG 3.74Å; A125-F135 HydrophobicContact CB-CZ 3.76Å; A125-P140 HydrophobicContact CB-CG 3.91Å; A125-M143 HydrophobicContact CB-CE 4.13Å; A125-M143 HydrophobicContact CB-SD 3.48Å; A125-M143 WeakPolarHBondContact CB-SD 3.39Å
126	Q	95.8	Very high	93.6	Very high	63 Å²	63	35 Å²	35	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-47.4	173.5	-170.1	69.8	64.5	0	0	111.4	A122 F124 C128 L129 D130 P140 R144	A122-Q126 VanDerWaalsContact O-CB 3.23Å; A122-Q126 WeakPolarHBondContact O-CB 3.33Å; A122-Q126 PolarHBondContact O-N 3.42Å; F124-Q126 VanDerWaalsContact C-N 3.3Å; F124-Q126 PolarHBondContact O-N 2.97Å; Q126-C128 VanDerWaalsContact C-N 3.29Å; Q126-C128 PolarHBondContact O-N 2.71Å; Q126-L129 PolarHBondContact O-N 3.5Å; Q126-D130 PolarHBondContact NE2-OD1 2.88Å; Q126-D130 WeakPolarHBondContact O-CB 3.29Å; Q126-D130 PolarHBondContact O-N 3.46Å; Q126-P140 HydrophobicContact CB-CB 4.39Å; Q126-P140 HydrophobicContact CB-CG 4.29Å; Q126-R144 VanDerWaalsContact OE1-NH2 3.07Å
127	A	96.2	Very high	93.8	Very high	26 Å²	26	33.7 Å²	33.7	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-34.3	180	0	0	0	0	0	113.3	I96 V100 E123 F124 A131	I96-A127 HydrophobicContact CG2-CB 3.91Å; V100-A127 HydrophobicContact CG2-CB 4.12Å; E123-A127 VanDerWaalsContact O-CB 3.3Å; E123-A127 WeakPolarHBondContact O-CB 3.31Å; E123-A127 PolarHBondContact O-N 2.9Å; F124-A127 PolarHBondContact O-N 2.93Å; A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.03Å
128	C	95.8	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-49.5	170.4	-71.6	0	0	0	0	111.7	F124 Q126 D130 A131 G132 I133 F135	F124-C128 PolarHBondContact O-N 2.96Å; F124-C128 PolarHBondContact O-SG 3.15Å; Q126-C128 VanDerWaalsContact C-N 3.29Å; Q126-C128 PolarHBondContact O-N 2.71Å; C128-D130 PolarHBondContact O-N 3.39Å; C128-A131 CarbonylContact O-C 3.52Å; C128-A131 WeakPolarHBondContact O-CA 3.4Å; C128-A131 WeakPolarHBondContact O-CB 3.39Å; C128-A131 PolarHBondContact O-N 2.84Å; C128-G132 PolarHBondContact O-N 3.04Å; C128-I133 CarbonylContact C-O 3.59Å; C128-I133 PolarHBondContact O-N 3.06Å; C128-F135 HydrophobicContact CB-CB 4.42Å
129	L	94.4	Very high	93.9	Very high	79 Å²	79	32.9 Å²	32.9	41%	0.414	19%	0.187	S	C	.	.	H	α-helix	trans	-65.2	-39.9	-179.4	-65.6	168.3	0	0	0	112.1	A125 Q126 A131 G132 I133 P140	A125-L129 WeakPolarHBondContact O-CG 3.28Å; A125-L129 PolarHBondContact O-N 3.47Å; Q126-L129 PolarHBondContact O-N 3.5Å; L129-A131 PolarHBondContact O-N 3.46Å; L129-G132 WeakPolarHBondContact O-CA 3.35Å; L129-G132 PolarHBondContact O-N 3.47Å; L129-I133 PolarHBondContact N-O 2.95Å; L129-P140 HydrophobicContact CD1-CG 3.77Å
130	D	95.3	Very high	94	Very high	109 Å²	109	33.3 Å²	33.3	58%	0.583	19%	0.19	S	C	*	.	H	α-helix	trans	-67.8	-20.7	174.7	-62.1	-4.9	0	0	0	112	Q126 C128 G132	Q126-D130 PolarHBondContact NE2-OD1 2.88Å; Q126-D130 WeakPolarHBondContact O-CB 3.29Å; Q126-D130 PolarHBondContact O-N 3.46Å; C128-D130 PolarHBondContact O-N 3.39Å; D130-G132 VanDerWaalsContact C-N 3.34Å
131	A	94	Very high	94.1	Very high	22 Å²	22	36.7 Å²	36.7	18%	0.182	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-3	167.8	0	0	0	0	0	114.2	V100 R104 A127 C128 L129 I133	V100-A131 HydrophobicContact CG1-CB 3.6Å; R104-A131 HydrophobicContact CG-CB 4.17Å; R104-A131 VanDerWaalsContact NE-CB 3.34Å; A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.44Å; A127-A131 PolarHBondContact O-N 3.03Å; C128-A131 CarbonylContact O-C 3.52Å; C128-A131 WeakPolarHBondContact O-CA 3.4Å; C128-A131 WeakPolarHBondContact O-CB 3.39Å; C128-A131 PolarHBondContact O-N 2.84Å; L129-A131 PolarHBondContact O-N 3.46Å; A131-I133 VanDerWaalsContact C-N 3.27Å; A131-I133 HydrophobicContact CB-CD1 3.96Å; A131-I133 HydrophobicContact CB-CG1 4.06Å
132	G	93	Very high	94.2	Very high	40 Å²	40	33.5 Å²	33.5	41%	0.412	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	8	-175.3	0	0	0	0	0	114	R32 C128 L129 D130	R32-G132 VanDerWaalsContact CZ-O 3.26Å; R32-G132 PolarHBondContact NH1-O 3.22Å; R32-G132 PolarHBondContact NH2-O 3.49Å; C128-G132 PolarHBondContact O-N 3.04Å; L129-G132 WeakPolarHBondContact O-CA 3.35Å; L129-G132 PolarHBondContact O-N 3.47Å; D130-G132 VanDerWaalsContact C-N 3.34Å
133	I	95.7	Very high	94.2	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.036	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-97.2	133	-176	-54.8	174.8	0	0	0	108.1	A103 R104 V108 V111 C128 L129 A131	A103-I133 HydrophobicContact CB-CD1 3.62Å; R104-I133 HydrophobicContact CG-CD1 4.07Å; V108-I133 HydrophobicContact CG1-CG2 4.49Å; V111-I133 HydrophobicContact CG2-CG2 3.97Å; C128-I133 CarbonylContact C-O 3.59Å; C128-I133 PolarHBondContact O-N 3.06Å; L129-I133 PolarHBondContact N-O 2.95Å; A131-I133 VanDerWaalsContact C-N 3.27Å; A131-I133 HydrophobicContact CB-CD1 3.96Å; A131-I133 HydrophobicContact CB-CG1 4.06Å
134	A	95.5	Very high	93.9	Very high	12 Å²	12	33.6 Å²	33.6	10%	0.099	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	144.8	179.1	0	0	0	0	0	111.2	F34 D109 A110 V111	F34-A134 HydrophobicContact CE1-CB 3.78Å; F34-A134 HydrophobicContact CZ-CB 3.72Å; D109-A134 PolarHBondContact O-N 3.43Å; A110-A134 CarbonylContact C-O 3.6Å; A110-A134 WeakPolarHBondContact CA-O 3.5Å; A110-A134 HydrophobicContact CB-CB 3.77Å; A110-A134 WeakPolarHBondContact CB-O 3.31Å; V111-A134 PolarHBondContact N-O 3.06Å
135	F	96.2	Very high	93.5	Very high	16 Å²	16	37.8 Å²	37.8	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.6	173.5	-177.9	-101.9	0	0	0	109	P113 F124 A125 C128 G137 M143	P113-F135 HydrophobicContact CB-CE2 3.98Å; P113-F135 HydrophobicContact CB-CZ 4.15Å; P113-F135 HydrophobicContact CG-CE1 4.49Å; P113-F135 HydrophobicContact CG-CE2 3.88Å; P113-F135 HydrophobicContact CG-CZ 3.69Å; F124-F135 AromaticContact CD1-CE2 3.86Å; F124-F135 HydrophobicContact CD1-CE2 3.86Å; F124-F135 HydrophobicContact CE1-CE2 4.17Å; A125-F135 HydrophobicContact CB-CB 4.47Å; A125-F135 HydrophobicContact CB-CD1 3.63Å; A125-F135 HydrophobicContact CB-CD2 3.88Å; A125-F135 HydrophobicContact CB-CE1 3.64Å; A125-F135 HydrophobicContact CB-CE2 3.89Å; A125-F135 HydrophobicContact CB-CG 3.74Å; A125-F135 HydrophobicContact CB-CZ 3.76Å; C128-F135 HydrophobicContact CB-CB 4.42Å; F135-G137 VanDerWaalsContact C-N 3.35Å; F135-G137 PolarHBondContact O-N 3.12Å; F135-G137 VanDerWaalsContact O-N 3.09Å; F135-M143 HydrophobicContact CD1-SD 4.41Å; F135-M143 HydrophobicContact CE1-CE 4Å; F135-M143 HydrophobicContact CE1-SD 3.63Å; F135-M143 HydrophobicContact CZ-CE 3.9Å; F135-M143 HydrophobicContact CZ-SD 4.12Å
136	I	96.6	Very high	93.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-87	81.7	-178.6	-50.9	177.7	0	0	0	108.6	F34 V37 A110 V111 H112 P113 Q345 I346 A349	F34-I136 HydrophobicContact CE2-CD1 4.26Å; F34-I136 HydrophobicContact CE2-CG1 4.41Å; V37-I136 HydrophobicContact CG1-CD1 3.81Å; V37-I136 HydrophobicContact CG2-CD1 4.4Å; A110-I136 HydrophobicContact CB-CD1 3.91Å; A110-I136 HydrophobicContact CB-CG1 3.93Å; V111-I136 PolarHBondContact O-N 2.65Å; H112-I136 HydrophobicContact CB-CB 4.39Å; H112-I136 HydrophobicContact CB-CD1 4.21Å; P113-I136 VanDerWaalsContact CD-O 3.29Å; P113-I136 WeakPolarHBondContact CD-O 3.23Å; I136-Q345 HydrophobicContact CG2-CB 3.97Å; I136-Q345 WeakPolarHBondContact CG2-O 3.5Å; I136-I346 HydrophobicContact CD1-CG1 4.15Å; I136-A349 HydrophobicContact CB-CB 4.32Å; I136-A349 HydrophobicContact CG1-CB 3.99Å; I136-A349 HydrophobicContact CG2-CB 4.06Å
137	G	94.8	Very high	92.1	Very high	8 Å²	8	37.1 Å²	37.1	8%	0.082	21%	0.211	C	C	.	.	S	Bend	trans	178	-168.7	-176.8	0	0	0	0	0	110.7	F135 N303	F135-G137 VanDerWaalsContact C-N 3.35Å; F135-G137 PolarHBondContact O-N 3.12Å; F135-G137 VanDerWaalsContact O-N 3.09Å; G137-N303 VanDerWaalsContact C-CB 3.44Å; G137-N303 WeakPolarHBondContact O-CB 3.38Å
138	P	93.3	Very high	91.2	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.019	21%	0.211	C	C	.	.	S	Bend	trans	-67.4	167.5	175.4	-19.4	34.2	0	0	0	112.3	V142 M143 Y301 Q302 A324	P138-V142 HydrophobicContact CB-CB 4.09Å; P138-V142 HydrophobicContact CB-CG1 3.91Å; P138-M143 HydrophobicContact CB-CG 4.18Å; P138-Y301 HydrophobicContact CB-CE2 4.46Å; P138-Y301 HydrophobicContact CG-CE1 4.06Å; P138-Y301 HydrophobicContact CG-CE2 4.03Å; P138-Y301 VanDerWaalsContact CG-CZ 3.5Å; P138-Y301 WeakPolarHBondContact CG-OH 3.42Å; P138-Q302 WeakPolarHBondContact CA-O 3.39Å; P138-A324 WeakPolarHBondContact CD-O 3.4Å; P138-A324 HydrophobicContact CG-CB 4.4Å; P138-A324 VanDerWaalsContact CG-O 3.28Å; P138-A324 WeakPolarHBondContact CG-O 3.47Å
139	S	92.8	Very high	90.2	Very high	36 Å²	36	39.4 Å²	39.4	25%	0.252	22%	0.218	S	C	.	.			trans	-69.6	152.4	175.4	78.5	0	0	0	0	111.6	Q141 V142 M143	S139-Q141 PolarHBondContact O-N 2.94Å; S139-V142 PolarHBondContact O-N 2.94Å; S139-V142 WeakPolarHBondContact OG-CG2 3.25Å; S139-V142 PolarHBondContact OG-N 2.97Å; S139-M143 WeakPolarHBondContact O-CG 3.3Å; S139-M143 PolarHBondContact O-N 3.36Å
140	P	92.8	Very high	89.4	Confident	10 Å²	10	36.7 Å²	36.7	7%	0.065	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-26.5	177.1	-26	33.3	0	0	0	114.2	A122 A125 Q126 L129 R144	A122-P140 HydrophobicContact CB-CB 4.42Å; A125-P140 HydrophobicContact CB-CG 3.91Å; Q126-P140 HydrophobicContact CB-CB 4.39Å; Q126-P140 HydrophobicContact CB-CG 4.29Å; L129-P140 HydrophobicContact CD1-CG 3.77Å; P140-R144 VanDerWaalsContact O-CG 3.31Å; P140-R144 WeakPolarHBondContact O-CG 3.29Å; P140-R144 PolarHBondContact O-N 2.89Å
141	Q	91.6	Very high	88.8	Confident	151 Å²	151	33 Å²	33	71%	0.706	19%	0.19	S	C	*	.	H	α-helix	trans	-70.9	-42.9	174	-73.8	-177.1	-20.8	0	0	112.2	S139 R144 R145	S139-Q141 PolarHBondContact O-N 2.94Å; Q141-R144 PolarHBondContact O-N 2.89Å; Q141-R145 WeakPolarHBondContact O-CB 3.33Å; Q141-R145 PolarHBondContact O-N 2.85Å
142	V	91	Very high	88.4	Confident	6 Å²	6	32 Å²	32	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-64.4	-44	174.1	174.6	0	0	0	0	110	P138 S139 R144 R145 M146 Y301	P138-V142 HydrophobicContact CB-CB 4.09Å; P138-V142 HydrophobicContact CB-CG1 3.91Å; S139-V142 PolarHBondContact O-N 2.94Å; S139-V142 WeakPolarHBondContact OG-CG2 3.25Å; S139-V142 PolarHBondContact OG-N 2.97Å; V142-R144 PolarHBondContact O-N 2.64Å; V142-R145 PolarHBondContact O-N 3.12Å; V142-M146 HydrophobicContact CG1-CG 4.1Å; V142-M146 WeakPolarHBondContact O-CB 3.39Å; V142-M146 WeakPolarHBondContact O-CG 3.41Å; V142-M146 PolarHBondContact O-N 2.83Å; V142-Y301 HydrophobicContact CG1-CD2 3.63Å; V142-Y301 HydrophobicContact CG1-CE2 3.92Å; V142-Y301 HydrophobicContact CG1-CG 4.44Å
143	M	90.2	Very high	88	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-45	177.5	-64.6	173.4	76.7	0	0	112.1	S119 E120 A122 A125 F135 P138 S139 G147	S119-M143 WeakPolarHBondContact O-CE 3.33Å; E120-M143 VanDerWaalsContact C-CE 3.44Å; A122-M143 HydrophobicContact CB-CB 3.86Å; A125-M143 HydrophobicContact CB-CE 4.13Å; A125-M143 HydrophobicContact CB-SD 3.48Å; A125-M143 WeakPolarHBondContact CB-SD 3.39Å; F135-M143 HydrophobicContact CD1-SD 4.41Å; F135-M143 HydrophobicContact CE1-CE 4Å; F135-M143 HydrophobicContact CE1-SD 3.63Å; F135-M143 HydrophobicContact CZ-CE 3.9Å; F135-M143 HydrophobicContact CZ-SD 4.12Å; P138-M143 HydrophobicContact CB-CG 4.18Å; S139-M143 WeakPolarHBondContact O-CG 3.3Å; S139-M143 PolarHBondContact O-N 3.36Å; M143-G147 WeakPolarHBondContact O-CA 3.47Å; M143-G147 PolarHBondContact O-N 2.91Å
144	R	88.6	Confident	87.6	Confident	115 Å²	115	36 Å²	36	43%	0.434	19%	0.187	S	C	.	.	H	α-helix	trans	-64.2	-42.8	174.6	-69.1	173.9	-150.9	133.9	13.4	112.8	A122 Q126 P140 Q141 V142 M146	A122-R144 HydrophobicContact CB-CG 3.5Å; A122-R144 VanDerWaalsContact CB-CG 3.5Å; Q126-R144 VanDerWaalsContact OE1-NH2 3.07Å; P140-R144 VanDerWaalsContact O-CG 3.31Å; P140-R144 WeakPolarHBondContact O-CG 3.29Å; P140-R144 PolarHBondContact O-N 2.89Å; Q141-R144 PolarHBondContact O-N 2.89Å; V142-R144 PolarHBondContact O-N 2.64Å; R144-M146 VanDerWaalsContact C-N 3.32Å; R144-M146 PolarHBondContact O-N 2.69Å
145	R	86.2	Confident	87.2	Confident	88 Å²	88	35.5 Å²	35.5	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-72.2	-23.8	-176.8	-166.4	176.2	-179.4	-159.6	0.5	113.2	Q141 V142 A151 A152 E158 H298	Q141-R145 WeakPolarHBondContact O-CB 3.33Å; Q141-R145 PolarHBondContact O-N 2.85Å; V142-R145 PolarHBondContact O-N 3.12Å; R145-A151 CarbonylContact O-C 3.56Å; R145-A151 WeakPolarHBondContact O-CB 3.24Å; R145-A152 PolarHBondContact O-N 2.88Å; R145-E158 IonicContact CZ-OE2 2.62Å; R145-E158 IonicContact NH2-OE2 2.99Å; R145-E158 PolarHBondContact NH2-OE2 2.9Å; R145-H298 PolarHBondContact NH2-NE2 2.8Å
146	M	85.3	Confident	86.9	Confident	4 Å²	4	34.7 Å²	34.7	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-108.3	-21.4	-177.7	-56.8	-43.3	-66.4	0	0	114.8	V142 R144 A152 A155 L295 V299 F319 V322	V142-M146 HydrophobicContact CG1-CG 4.1Å; V142-M146 WeakPolarHBondContact O-CB 3.39Å; V142-M146 WeakPolarHBondContact O-CG 3.41Å; V142-M146 PolarHBondContact O-N 2.83Å; R144-M146 VanDerWaalsContact C-N 3.32Å; R144-M146 PolarHBondContact O-N 2.69Å; M146-A152 HydrophobicContact CE-CB 3.94Å; M146-A155 HydrophobicContact SD-CB 4.24Å; M146-L295 HydrophobicContact CE-CD1 4.1Å; M146-L295 HydrophobicContact CE-CD2 4.31Å; M146-L295 HydrophobicContact CE-CG 4.43Å; M146-V299 HydrophobicContact SD-CB 4.28Å; M146-V299 HydrophobicContact SD-CG1 3.76Å; M146-V299 HydrophobicContact SD-CG2 4.29Å; M146-F319 HydrophobicContact CE-CZ 4.48Å; M146-V322 HydrophobicContact CB-CB 4.27Å; M146-V322 HydrophobicContact CE-CB 3.85Å; M146-V322 HydrophobicContact CE-CG2 3.46Å; M146-V322 VanDerWaalsContact CE-CG2 3.46Å
147	G	74.9	Confident	86.6	Confident	45 Å²	45	38.7 Å²	38.7	46%	0.464	20%	0.2	S	C	.	.	H	α-helix	trans	-80.6	-28.7	177.9	0	0	0	0	0	114.2	M143	M143-G147 WeakPolarHBondContact O-CA 3.47Å; M143-G147 PolarHBondContact O-N 2.91Å
148	D	76.4	Confident	86.5	Confident	40 Å²	40	42.5 Å²	42.5	21%	0.214	22%	0.216	C	C	.	.	S	Bend	trans	-78.8	121	164.3	179.9	-49.2	0	0	0	108.6	V150 A151 A152 Y194	D148-V150 VanDerWaalsContact C-N 3.32Å; D148-V150 PolarHBondContact O-N 2.82Å; D148-V150 WeakPolarHBondContact OD1-CA 3.25Å; D148-V150 WeakPolarHBondContact OD1-CB 3.42Å; D148-V150 PolarHBondContact OD1-N 2.83Å; D148-A151 HydrophobicContact CB-CB 3.89Å; D148-A151 PolarHBondContact O-N 2.97Å; D148-A151 PolarHBondContact OD1-N 2.99Å; D148-A152 WeakPolarHBondContact O-CB 3.45Å; D148-A152 PolarHBondContact O-N 2.9Å; D148-Y194 VanDerWaalsContact OD2-CE1 3.29Å; D148-Y194 WeakPolarHBondContact OD2-CE1 3.24Å; D148-Y194 PolarHBondContact OD2-OH 3.42Å
149	K	75	Confident	86.4	Confident	35 Å²	35	42.9 Å²	42.9	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-27.6	-173.6	-71.5	-177.9	169.3	178.6	0	113.4	R153 G195 F231 E321	K149-R153 WeakPolarHBondContact O-CB 3.48Å; K149-R153 VanDerWaalsContact O-CG 3.24Å; K149-R153 WeakPolarHBondContact O-CG 3.23Å; K149-R153 PolarHBondContact O-N 3.27Å; K149-G195 PolarHBondContact NZ-O 2.89Å; K149-F231 HydrophobicContact CB-CE1 4.2Å; K149-F231 HydrophobicContact CB-CZ 4.11Å; K149-F231 HydrophobicContact CD-CE1 4.46Å; K149-F231 HydrophobicContact CD-CZ 4.47Å; K149-E321 WeakPolarHBondContact CE-OE2 3.46Å; K149-E321 IonicContact NZ-OE2 2.66Å; K149-E321 PolarHBondContact NZ-OE2 3.35Å
150	V	78.5	Confident	86.3	Confident	22 Å²	22	43.6 Å²	43.6	13%	0.133	23%	0.232	C	C	.	.	H	α-helix	trans	-73.5	-43.2	174.6	-175.9	0	0	0	0	109.5	D148 A152 R153 K154 D168 P170	D148-V150 VanDerWaalsContact C-N 3.32Å; D148-V150 PolarHBondContact O-N 2.82Å; D148-V150 WeakPolarHBondContact OD1-CA 3.25Å; D148-V150 WeakPolarHBondContact OD1-CB 3.42Å; D148-V150 PolarHBondContact OD1-N 2.83Å; V150-A152 PolarHBondContact O-N 2.98Å; V150-R153 PolarHBondContact O-N 3.12Å; V150-K154 WeakPolarHBondContact O-CB 3.3Å; V150-K154 PolarHBondContact O-N 3.19Å; V150-D168 WeakPolarHBondContact CG1-O 3.33Å; V150-P170 HydrophobicContact CG2-CG 4.5Å
151	A	81.8	Confident	86.3	Confident	32 Å²	32	43.3 Å²	43.3	26%	0.264	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-40.2	173.9	0	0	0	0	0	112.4	R145 D148 K154 A155	R145-A151 CarbonylContact O-C 3.56Å; R145-A151 WeakPolarHBondContact O-CB 3.24Å; D148-A151 HydrophobicContact CB-CB 3.89Å; D148-A151 PolarHBondContact O-N 2.97Å; D148-A151 PolarHBondContact OD1-N 2.99Å; A151-K154 PolarHBondContact O-N 3.32Å; A151-A155 WeakPolarHBondContact O-CB 3.18Å; A151-A155 PolarHBondContact O-N 3.24Å
152	A	85.3	Confident	86.3	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-46.2	177.6	0	0	0	0	0	112.3	R145 M146 D148 V150 K154 A155 A156 F319	R145-A152 PolarHBondContact O-N 2.88Å; M146-A152 HydrophobicContact CE-CB 3.94Å; D148-A152 WeakPolarHBondContact O-CB 3.45Å; D148-A152 PolarHBondContact O-N 2.9Å; V150-A152 PolarHBondContact O-N 2.98Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.42Å; A152-A155 PolarHBondContact O-N 2.91Å; A152-A156 PolarHBondContact O-N 3Å; A152-F319 HydrophobicContact CB-CE1 4.3Å; A152-F319 HydrophobicContact CB-CZ 4.26Å
153	R	85.4	Confident	86.3	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-57.1	-46.3	173.3	-78.3	171.5	57.7	79.6	12.8	111.5	K149 V150 A155 A156 L157 V164 D168 E233	K149-R153 WeakPolarHBondContact O-CB 3.48Å; K149-R153 VanDerWaalsContact O-CG 3.24Å; K149-R153 WeakPolarHBondContact O-CG 3.23Å; K149-R153 PolarHBondContact O-N 3.27Å; V150-R153 PolarHBondContact O-N 3.12Å; R153-A155 PolarHBondContact O-N 3.02Å; R153-A156 WeakPolarHBondContact O-CB 3.47Å; R153-A156 PolarHBondContact O-N 2.96Å; R153-L157 PolarHBondContact O-N 3.11Å; R153-V164 PolarHBondContact NH1-O 3.35Å; R153-V164 PolarHBondContact NH2-O 2.9Å; R153-V164 VanDerWaalsContact NH2-O 3.09Å; R153-D168 IonicContact CZ-OD1 3.38Å; R153-D168 IonicContact NE-OD1 3.15Å; R153-D168 PolarHBondContact NE-OD1 3.16Å; R153-D168 VanDerWaalsContact NE-OD1 3.15Å; R153-D168 IonicContact NH2-OD1 2.75Å; R153-D168 PolarHBondContact NH2-OD1 3.34Å; R153-E233 IonicContact CZ-OE1 3.7Å; R153-E233 IonicContact NH1-OE1 2.72Å; R153-E233 PolarHBondContact NH1-OE1 2.99Å
154	K	86.7	Confident	86.2	Confident	128 Å²	128	40.2 Å²	40.2	56%	0.557	22%	0.222	S	C	*	.	H	α-helix	trans	-62.1	-42.6	176.4	-173.7	176.1	178.4	179.4	0	111.9	V150 A151 A152 A156 L157 E158	V150-K154 WeakPolarHBondContact O-CB 3.3Å; V150-K154 PolarHBondContact O-N 3.19Å; A151-K154 PolarHBondContact O-N 3.32Å; A152-K154 VanDerWaalsContact C-N 3.34Å; A152-K154 PolarHBondContact O-N 3.42Å; K154-A156 VanDerWaalsContact C-N 3.3Å; K154-A156 PolarHBondContact O-N 3.26Å; K154-L157 PolarHBondContact O-N 2.82Å; K154-E158 WeakPolarHBondContact CE-OE1 3.48Å; K154-E158 HydrophobicContact CG-CG 4.4Å; K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 VanDerWaalsContact O-CG 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.34Å; K154-E158 PolarHBondContact O-N 2.94Å
155	A	88.6	Confident	86	Confident	1 Å²	1	37 Å²	37	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-32.8	176	0	0	0	0	0	112.9	M146 A151 A152 R153 A159 L295 H298 V299	M146-A155 HydrophobicContact SD-CB 4.24Å; A151-A155 WeakPolarHBondContact O-CB 3.18Å; A151-A155 PolarHBondContact O-N 3.24Å; A152-A155 PolarHBondContact O-N 2.91Å; R153-A155 PolarHBondContact O-N 3.02Å; A155-A159 VanDerWaalsContact O-CB 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.28Å; A155-A159 PolarHBondContact O-N 2.75Å; A155-L295 HydrophobicContact CB-CD1 4.42Å; A155-H298 PolarHBondContact O-CD2 2.82Å; A155-V299 HydrophobicContact CB-CG1 3.98Å
156	A	90.3	Very high	85.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-68.9	-44	172.6	0	0	0	0	0	112.5	A152 R153 K154 A159 G160 V161 V163 L295 F319	A152-A156 PolarHBondContact O-N 3Å; R153-A156 WeakPolarHBondContact O-CB 3.47Å; R153-A156 PolarHBondContact O-N 2.96Å; K154-A156 VanDerWaalsContact C-N 3.3Å; K154-A156 PolarHBondContact O-N 3.26Å; A156-A159 CarbonylContact O-C 3.59Å; A156-A159 PolarHBondContact O-N 3.44Å; A156-G160 PolarHBondContact O-N 3.39Å; A156-G160 VanDerWaalsContact O-N 3.15Å; A156-V161 HydrophobicContact CB-CB 4.29Å; A156-V161 PolarHBondContact O-N 3.33Å; A156-V163 HydrophobicContact CB-CG1 3.65Å; A156-L295 HydrophobicContact CB-CD1 4.36Å; A156-L295 HydrophobicContact CB-CD2 4.31Å; A156-F319 HydrophobicContact CB-CB 4.47Å; A156-F319 HydrophobicContact CB-CD1 3.48Å; A156-F319 VanDerWaalsContact CB-CD1 3.48Å; A156-F319 HydrophobicContact CB-CE1 3.85Å; A156-F319 HydrophobicContact CB-CG 3.98Å
157	L	90.2	Very high	85.5	Confident	84 Å²	84	35 Å²	35	44%	0.44	22%	0.215	S	C	.	.	H	α-helix	trans	-60.6	-46.2	172.6	-74	170.5	0	0	0	112	R153 K154 A159 G160 V163	R153-L157 PolarHBondContact O-N 3.11Å; K154-L157 PolarHBondContact O-N 2.82Å; L157-A159 VanDerWaalsContact C-N 3.26Å; L157-A159 PolarHBondContact O-N 3.24Å; L157-G160 PolarHBondContact O-N 3.25Å; L157-V163 HydrophobicContact CD1-CG2 4.17Å; L157-V163 HydrophobicContact CD2-CG1 4.36Å; L157-V163 HydrophobicContact CD2-CG2 3.79Å; L157-V163 HydrophobicContact CG-CG1 4.08Å; L157-V163 HydrophobicContact CG-CG2 3.92Å
158	E	91.3	Very high	85.1	Confident	88 Å²	88	36.3 Å²	36.3	41%	0.411	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-32.4	175	-71.5	170.1	178.4	0	0	112.8	R145 K154 G160 H298	R145-E158 IonicContact CZ-OE2 2.62Å; R145-E158 IonicContact NH2-OE2 2.99Å; R145-E158 PolarHBondContact NH2-OE2 2.9Å; K154-E158 WeakPolarHBondContact CE-OE1 3.48Å; K154-E158 HydrophobicContact CG-CG 4.4Å; K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 VanDerWaalsContact O-CG 3.26Å; K154-E158 WeakPolarHBondContact O-CG 3.34Å; K154-E158 PolarHBondContact O-N 2.94Å; E158-G160 VanDerWaalsContact C-N 3.28Å; E158-H298 WeakPolarHBondContact CB-NE2 3.46Å; E158-H298 WeakPolarHBondContact CG-NE2 3.43Å; E158-H298 IonicContact OE2-NE2 3.68Å; E158-H298 PolarHBondContact OE2-NE2 2.71Å
159	A	91.3	Very high	84.8	Confident	11 Å²	11	38.4 Å²	38.4	9%	0.091	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-7	174.9	0	0	0	0	0	113.6	A155 A156 L157 V161 R294 L295 H298	A155-A159 VanDerWaalsContact O-CB 3.26Å; A155-A159 WeakPolarHBondContact O-CB 3.28Å; A155-A159 PolarHBondContact O-N 2.75Å; A156-A159 CarbonylContact O-C 3.59Å; A156-A159 PolarHBondContact O-N 3.44Å; L157-A159 VanDerWaalsContact C-N 3.26Å; L157-A159 PolarHBondContact O-N 3.24Å; A159-V161 HydrophobicContact CB-CG2 4.36Å; A159-R294 WeakPolarHBondContact O-CD 3.42Å; A159-R294 WeakPolarHBondContact O-CG 3.13Å; A159-L295 HydrophobicContact CB-CD1 4.31Å; A159-H298 HydrophobicContact CB-CB 3.69Å
160	G	91.5	Very high	84.6	Confident	51 Å²	51	39.2 Å²	39.2	53%	0.526	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	45	-173.5	0	0	0	0	0	112.9	A156 L157 E158 R294	A156-G160 PolarHBondContact O-N 3.39Å; A156-G160 VanDerWaalsContact O-N 3.15Å; L157-G160 PolarHBondContact O-N 3.25Å; E158-G160 VanDerWaalsContact C-N 3.28Å; G160-R294 PolarHBondContact O-NH1 3.12Å
161	V	92.6	Very high	84.2	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	23%	0.23	C	C	.	.			trans	-116.4	134.9	173.4	175.8	0	0	0	0	109.3	A156 A159 V163 D291 L295 F309 F319	A156-V161 HydrophobicContact CB-CB 4.29Å; A156-V161 PolarHBondContact O-N 3.33Å; A159-V161 HydrophobicContact CB-CG2 4.36Å; V161-V163 PolarHBondContact O-N 2.86Å; V161-D291 HydrophobicContact CG1-CB 4.02Å; V161-D291 HydrophobicContact CG2-CB 3.93Å; V161-D291 WeakPolarHBondContact CG2-O 3.2Å; V161-L295 HydrophobicContact CG2-CB 4.26Å; V161-F309 HydrophobicContact CG1-CE1 4.22Å; V161-F319 HydrophobicContact CG1-CB 4.04Å
162	T	91.4	Very high	83.6	Confident	75 Å²	75	45.7 Å²	45.7	46%	0.46	26%	0.258	S	S	.	.			trans	-67.2	125.6	-178.2	-45.5	0	0	0	0	111.1	Y318 F319	T162-Y318 HydrophobicContact CG2-CD1 3.82Å; T162-Y318 HydrophobicContact CG2-CE1 4.01Å; T162-F319 WeakPolarHBondContact O-CB 3.36Å; T162-F319 PolarHBondContact O-N 3.37Å
163	V	90.7	Very high	83.1	Confident	17 Å²	17	46.8 Å²	46.8	10%	0.103	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-106.3	159.8	173.3	-53	0	0	0	0	110.7	A156 L157 V161 Y318 F319	A156-V163 HydrophobicContact CB-CG1 3.65Å; L157-V163 HydrophobicContact CD1-CG2 4.17Å; L157-V163 HydrophobicContact CD2-CG1 4.36Å; L157-V163 HydrophobicContact CD2-CG2 3.79Å; L157-V163 HydrophobicContact CG-CG1 4.08Å; L157-V163 HydrophobicContact CG-CG2 3.92Å; V161-V163 PolarHBondContact O-N 2.86Å; V163-Y318 WeakPolarHBondContact O-CD1 3.49Å; V163-F319 HydrophobicContact CG1-CB 4.42Å; V163-F319 HydrophobicContact CG1-CD1 4.04Å
164	V	87.6	Confident	83	Confident	1 Å²	1	48 Å²	48	1%	0.006	28%	0.277	C	S	.	.			trans	-60.6	136	171.2	-176	0	0	0	0	109.4	R153 G166 E233 K234 I236 Y318 I320	R153-V164 PolarHBondContact NH1-O 3.35Å; R153-V164 PolarHBondContact NH2-O 2.9Å; R153-V164 VanDerWaalsContact NH2-O 3.09Å; V164-G166 PolarHBondContact O-N 3.15Å; V164-E233 HydrophobicContact CG1-CB 3.97Å; V164-E233 HydrophobicContact CG1-CG 4.48Å; V164-K234 HydrophobicContact CG1-CB 4.37Å; V164-K234 WeakPolarHBondContact CG1-O 3.48Å; V164-I236 HydrophobicContact CG1-CD1 4.2Å; V164-I236 HydrophobicContact CG1-CG1 4.26Å; V164-I236 HydrophobicContact CG2-CG1 4.44Å; V164-Y318 HydrophobicContact CG2-CG 4.27Å; V164-I320 HydrophobicContact CG2-CG2 3.88Å
165	P	84.8	Confident	82.8	Confident	47 Å²	47	47 Å²	47	31%	0.305	28%	0.282	S	S	.	.	S	Bend	trans	-56.8	132.2	172.6	-25	34.8	0	0	0	111.3	E233 K234	P165-E233 CarbonylContact O-C 3.59Å; P165-E233 WeakPolarHBondContact O-CA 3.48Å; P165-K234 HydrophobicContact CB-CB 4.36Å; P165-K234 PolarHBondContact O-N 3.07Å
166	G	83.3	Confident	82.5	Confident	15 Å²	15	51 Å²	51	16%	0.155	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-174.6	170	-172.4	0	0	0	0	0	111.9	V164 V232	V164-G166 PolarHBondContact O-N 3.15Å; G166-V232 CarbonylContact C-O 3.49Å; G166-V232 WeakPolarHBondContact CA-O 3.38Å
167	I	77.5	Confident	82.2	Confident	35 Å²	35	51 Å²	51	18%	0.179	30%	0.3	C	S	.	.			trans	-82.4	121.8	174	-59.6	-179.8	0	0	0	108.7	T169 T171 E176 F180 V232	I167-T169 WeakPolarHBondContact CG2-O 3.48Å; I167-T169 PolarHBondContact O-N 2.94Å; I167-T169 VanDerWaalsContact O-N 3.15Å; I167-T171 HydrophobicContact CB-CG2 4.32Å; I167-T171 HydrophobicContact CD1-CG2 3.62Å; I167-T171 HydrophobicContact CG2-CG2 4.18Å; I167-E176 HydrophobicContact CD1-CB 4.25Å; I167-F180 HydrophobicContact CD1-CB 3.97Å; I167-F180 HydrophobicContact CD1-CD2 4.4Å; I167-F180 HydrophobicContact CD1-CG 4.35Å; I167-F180 HydrophobicContact CG1-CB 4.28Å; I167-F180 HydrophobicContact CG1-CD2 3.77Å; I167-F180 HydrophobicContact CG1-CE2 4.45Å; I167-F180 HydrophobicContact CG1-CG 4.15Å; I167-V232 HydrophobicContact CB-CG1 4.14Å; I167-V232 HydrophobicContact CD1-CG1 3.62Å; I167-V232 HydrophobicContact CG1-CG1 3.64Å; I167-V232 PolarHBondContact N-O 2.74Å
168	D	66.8	Low	81.9	Confident	73 Å²	73	50 Å²	50	39%	0.39	30%	0.295	S	S	.	.	S	Bend	trans	-83.4	23.9	-177.1	-63.5	-39.2	0	0	0	114	V150 R153	V150-D168 WeakPolarHBondContact CG1-O 3.33Å; R153-D168 IonicContact CZ-OD1 3.38Å; R153-D168 IonicContact NE-OD1 3.15Å; R153-D168 PolarHBondContact NE-OD1 3.16Å; R153-D168 VanDerWaalsContact NE-OD1 3.15Å; R153-D168 IonicContact NH2-OD1 2.75Å; R153-D168 PolarHBondContact NH2-OD1 3.34Å
169	T	70.2	Confident	81.6	Confident	84 Å²	84	52.1 Å²	52.1	52%	0.515	31%	0.305	S	S	.	.	S	Bend	trans	-143.3	147.2	173.3	46.9	0	0	0	0	109.7	I167 T171	I167-T169 WeakPolarHBondContact CG2-O 3.48Å; I167-T169 PolarHBondContact O-N 2.94Å; I167-T169 VanDerWaalsContact O-N 3.15Å; T169-T171 PolarHBondContact O-N 3.29Å
170	P	70.1	Confident	81.4	Confident	52 Å²	52	52 Å²	52	34%	0.338	30%	0.303	S	S	.	.			trans	-60	126.9	174.1	-21.5	33.1	0	0	0	111.3	V150 A229 L230	V150-P170 HydrophobicContact CG2-CG 4.5Å; P170-A229 HydrophobicContact CB-CB 4.31Å; P170-L230 CarbonylContact C-O 3.34Å; P170-L230 VanDerWaalsContact CA-O 3.26Å; P170-L230 WeakPolarHBondContact CA-O 3.31Å
171	T	71.7	Confident	80.9	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.031	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-84.1	119.7	179.2	52.3	0	0	0	0	109.8	I167 T169 E176 V177 L230	I167-T171 HydrophobicContact CB-CG2 4.32Å; I167-T171 HydrophobicContact CD1-CG2 3.62Å; I167-T171 HydrophobicContact CG2-CG2 4.18Å; T169-T171 PolarHBondContact O-N 3.29Å; T171-E176 WeakPolarHBondContact CA-OE2 3.42Å; T171-E176 HydrophobicContact CG2-CB 4.11Å; T171-V177 HydrophobicContact CG2-CG2 4.26Å; T171-L230 PolarHBondContact N-O 3.07Å; T171-L230 PolarHBondContact OG1-O 2.78Å
172	E	69.2	Low	80.6	Confident	185 Å²	185	55.7 Å²	55.7	86%	0.864	31%	0.309	S	S	*	.			trans	-90.6	-21.2	171.6	-63	-164.7	160.3	0	0	111.9	E176	E172-E176 PolarHBondContact N-OE2 2.65Å
173	G	74.6	Confident	80.3	Confident	24 Å²	24	59.2 Å²	59.2	25%	0.247	32%	0.321	C	S	.	.			trans	-110.7	133.8	-174.2	0	0	0	0	0	114.6	T175 E176	G173-T175 PolarHBondContact O-N 2.87Å; G173-E176 PolarHBondContact N-OE2 3.17Å; G173-E176 PolarHBondContact O-N 3.01Å
174	V	82.9	Confident	79.9	Confident	29 Å²	29	61.9 Å²	61.9	18%	0.176	33%	0.332	C	S	.	.	H	α-helix	trans	-56.2	-32.3	172.1	-170.9	0	0	0	0	111.9	E176 V177 L178 V210 H211 F214	V174-E176 VanDerWaalsContact C-N 3.33Å; V174-E176 PolarHBondContact O-N 2.87Å; V174-V177 PolarHBondContact O-N 3.08Å; V174-L178 PolarHBondContact O-N 2.77Å; V174-V210 HydrophobicContact CG1-CG1 3.81Å; V174-H211 HydrophobicContact CG1-CB 4.4Å; V174-F214 HydrophobicContact CG2-CB 4.42Å; V174-F214 HydrophobicContact CG2-CD1 3.83Å; V174-F214 HydrophobicContact CG2-CE1 4.29Å; V174-F214 HydrophobicContact CG2-CG 4.17Å
175	T	82.9	Confident	79.7	Confident	105 Å²	105	63.3 Å²	63.3	64%	0.644	35%	0.347	S	S	*	.	H	α-helix	trans	-60	-38.4	179.5	-37.1	0	0	0	0	113.1	G173 L178 Q179	G173-T175 PolarHBondContact O-N 2.87Å; T175-L178 PolarHBondContact O-N 2.77Å; T175-Q179 WeakPolarHBondContact O-CB 3.38Å; T175-Q179 PolarHBondContact O-N 3.42Å
176	E	82.6	Confident	79.8	Confident	86 Å²	86	63.8 Å²	63.8	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-42.8	-179.3	-58.4	175.5	126.9	0	0	110.5	I167 T171 E172 G173 V174 Q179 F180	I167-E176 HydrophobicContact CD1-CB 4.25Å; T171-E176 WeakPolarHBondContact CA-OE2 3.42Å; T171-E176 HydrophobicContact CG2-CB 4.11Å; E172-E176 PolarHBondContact N-OE2 2.65Å; G173-E176 PolarHBondContact N-OE2 3.17Å; G173-E176 PolarHBondContact O-N 3.01Å; V174-E176 VanDerWaalsContact C-N 3.33Å; V174-E176 PolarHBondContact O-N 2.87Å; E176-Q179 PolarHBondContact O-N 2.86Å; E176-F180 WeakPolarHBondContact O-CB 3.08Å; E176-F180 PolarHBondContact O-N 3.08Å
177	V	82.3	Confident	80.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.9	-41.3	176.1	-177.3	0	0	0	0	111.1	T171 V174 G181 I188 L190 V210 F214 V232	T171-V177 HydrophobicContact CG2-CG2 4.26Å; V174-V177 PolarHBondContact O-N 3.08Å; V177-G181 PolarHBondContact O-N 2.91Å; V177-I188 HydrophobicContact CG1-CD1 3.94Å; V177-L190 HydrophobicContact CG1-CD2 3.85Å; V177-L190 HydrophobicContact CG1-CG 4.42Å; V177-L190 HydrophobicContact CG2-CD2 3.98Å; V177-V210 HydrophobicContact CB-CG1 3.94Å; V177-V210 HydrophobicContact CG1-CG1 3.63Å; V177-F214 HydrophobicContact CG2-CD2 3.87Å; V177-F214 HydrophobicContact CG2-CE2 3.85Å; V177-V232 HydrophobicContact CG1-CG2 4.14Å
178	L	85.3	Confident	80.7	Confident	64 Å²	64	62.6 Å²	62.6	34%	0.335	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-45.9	176.1	-168	74.8	0	0	0	111.4	V174 T175 G181 L182 A207 V210	V174-L178 PolarHBondContact O-N 2.77Å; T175-L178 PolarHBondContact O-N 2.77Å; L178-G181 PolarHBondContact O-N 3.19Å; L178-L182 WeakPolarHBondContact O-CG 3.19Å; L178-L182 PolarHBondContact O-N 3.13Å; L178-L182 VanDerWaalsContact O-N 3.15Å; L178-A207 HydrophobicContact CD1-CB 3.81Å; L178-V210 HydrophobicContact CB-CG1 4.49Å; L178-V210 HydrophobicContact CD1-CB 4.21Å; L178-V210 HydrophobicContact CD1-CG2 4Å
179	Q	85	Confident	81.7	Confident	132 Å²	132	59.5 Å²	59.5	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-66	-42.4	179.4	-175.5	169.7	-19.8	0	0	111.8	T175 E176 G181 L182 E183	T175-Q179 WeakPolarHBondContact O-CB 3.38Å; T175-Q179 PolarHBondContact O-N 3.42Å; E176-Q179 PolarHBondContact O-N 2.86Å; Q179-G181 PolarHBondContact O-N 3.18Å; Q179-L182 PolarHBondContact O-N 2.77Å; Q179-E183 PolarHBondContact O-N 3.39Å
180	F	85.6	Confident	82.5	Confident	9 Å²	9	55.5 Å²	55.5	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-43.3	174.3	177.7	-91.8	0	0	0	112.2	I167 E176 L182 E183 H184 I188 V232	I167-F180 HydrophobicContact CD1-CB 3.97Å; I167-F180 HydrophobicContact CD1-CD2 4.4Å; I167-F180 HydrophobicContact CD1-CG 4.35Å; I167-F180 HydrophobicContact CG1-CB 4.28Å; I167-F180 HydrophobicContact CG1-CD2 3.77Å; I167-F180 HydrophobicContact CG1-CE2 4.45Å; I167-F180 HydrophobicContact CG1-CG 4.15Å; E176-F180 WeakPolarHBondContact O-CB 3.08Å; E176-F180 PolarHBondContact O-N 3.08Å; F180-L182 VanDerWaalsContact C-N 3.29Å; F180-L182 PolarHBondContact O-N 2.92Å; F180-E183 PolarHBondContact O-N 2.57Å; F180-H184 AromaticContact CD2-CE1 3.79Å; F180-H184 AromaticContact CD2-CG 3.91Å; F180-H184 AromaticContact CD2-ND1 3.42Å; F180-H184 WeakPolarHBondContact CD2-ND1 3.46Å; F180-H184 HydrophobicContact CE1-CB 4.09Å; F180-H184 HydrophobicContact CE2-CB 4.09Å; F180-H184 AromaticContact CE2-CD2 3.69Å; F180-H184 AromaticContact CE2-CE1 3.61Å; F180-H184 AromaticContact CE2-CG 3.44Å; F180-H184 VanDerWaalsContact CE2-CG 3.44Å; F180-H184 AromaticContact CE2-ND1 3.38Å; F180-H184 WeakPolarHBondContact CE2-ND1 3.1Å; F180-H184 AromaticContact CE2-NE2 3.79Å; F180-H184 HydrophobicContact CZ-CB 3.85Å; F180-H184 AromaticContact CZ-CD2 3.98Å; F180-H184 AromaticContact CZ-CG 3.67Å; F180-H184 WeakPolarHBondContact O-CB 3.36Å; F180-H184 PolarHBondContact O-N 2.83Å; F180-I188 HydrophobicContact CD1-CG2 4.06Å; F180-I188 HydrophobicContact CE1-CG2 3.96Å; F180-V232 HydrophobicContact CB-CG1 4.17Å; F180-V232 HydrophobicContact CD1-CB 4.47Å; F180-V232 HydrophobicContact CD1-CG1 3.66Å; F180-V232 HydrophobicContact CD1-CG2 3.98Å; F180-V232 HydrophobicContact CD2-CG1 4.4Å; F180-V232 HydrophobicContact CE1-CG1 4.17Å; F180-V232 HydrophobicContact CE1-CG2 4.25Å; F180-V232 HydrophobicContact CG-CG1 3.81Å
181	G	82.7	Confident	83	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-31.1	176.4	0	0	0	0	0	114.1	V177 L178 Q179 G185 F186	V177-G181 PolarHBondContact O-N 2.91Å; L178-G181 PolarHBondContact O-N 3.19Å; Q179-G181 PolarHBondContact O-N 3.18Å; G181-G185 CarbonylContact O-C 3.49Å; G181-G185 VanDerWaalsContact O-CA 3.23Å; G181-G185 WeakPolarHBondContact O-CA 3.42Å; G181-G185 PolarHBondContact O-N 3.04Å; G181-G185 VanDerWaalsContact O-N 3.16Å; G181-F186 VanDerWaalsContact C-CE2 3.41Å; G181-F186 VanDerWaalsContact O-CD2 3.32Å; G181-F186 WeakPolarHBondContact O-CD2 3.46Å; G181-F186 WeakPolarHBondContact O-CE2 3.39Å; G181-F186 PolarHBondContact O-N 3.41Å
182	L	85.4	Confident	83.4	Confident	130 Å²	130	54.7 Å²	54.7	68%	0.681	29%	0.286	S	S	*	.	H	α-helix	trans	-75	-34	174	-70.2	167.9	0	0	0	112.9	L178 Q179 F180	L178-L182 WeakPolarHBondContact O-CG 3.19Å; L178-L182 PolarHBondContact O-N 3.13Å; L178-L182 VanDerWaalsContact O-N 3.15Å; Q179-L182 PolarHBondContact O-N 2.77Å; F180-L182 VanDerWaalsContact C-N 3.29Å; F180-L182 PolarHBondContact O-N 2.92Å
183	E	85.5	Confident	83.5	Confident	149 Å²	149	45.9 Å²	45.9	70%	0.696	25%	0.245	S	C	*	.	H	α-helix	trans	-82.5	-45.2	-178.8	-176.8	177.9	-143.5	0	0	113	Q179 F180	Q179-E183 PolarHBondContact O-N 3.39Å; F180-E183 PolarHBondContact O-N 2.57Å
184	H	82.4	Confident	83.2	Confident	74 Å²	74	50 Å²	50	34%	0.343	25%	0.254	S	S	.	.	H	α-helix	trans	-95.9	-10	-174.3	-68.6	71.9	0	0	0	113.6	F180	F180-H184 AromaticContact CD2-CE1 3.79Å; F180-H184 AromaticContact CD2-CG 3.91Å; F180-H184 AromaticContact CD2-ND1 3.42Å; F180-H184 WeakPolarHBondContact CD2-ND1 3.46Å; F180-H184 HydrophobicContact CE1-CB 4.09Å; F180-H184 HydrophobicContact CE2-CB 4.09Å; F180-H184 AromaticContact CE2-CD2 3.69Å; F180-H184 AromaticContact CE2-CE1 3.61Å; F180-H184 AromaticContact CE2-CG 3.44Å; F180-H184 VanDerWaalsContact CE2-CG 3.44Å; F180-H184 AromaticContact CE2-ND1 3.38Å; F180-H184 WeakPolarHBondContact CE2-ND1 3.1Å; F180-H184 AromaticContact CE2-NE2 3.79Å; F180-H184 HydrophobicContact CZ-CB 3.85Å; F180-H184 AromaticContact CZ-CD2 3.98Å; F180-H184 AromaticContact CZ-CG 3.67Å; F180-H184 WeakPolarHBondContact O-CB 3.36Å; F180-H184 PolarHBondContact O-N 2.83Å
185	G	83.4	Confident	82	Confident	30 Å²	30	49 Å²	49	31%	0.309	25%	0.25	S	C	.	.			trans	83.5	144.1	-177.8	0	0	0	0	0	113.5	G181 I188	G181-G185 CarbonylContact O-C 3.49Å; G181-G185 VanDerWaalsContact O-CA 3.23Å; G181-G185 WeakPolarHBondContact O-CA 3.42Å; G181-G185 PolarHBondContact O-N 3.04Å; G181-G185 VanDerWaalsContact O-N 3.16Å; G185-I188 WeakPolarHBondContact O-CG2 3.36Å
186	F	85.9	Confident	80.8	Confident	58 Å²	58	45.8 Å²	45.8	25%	0.254	24%	0.238	S	C	.	.	S	Bend	trans	-79.3	152.3	166.9	-67	-91.6	0	0	0	110.6	G181 I188 V204 N205 A207 V210	G181-F186 VanDerWaalsContact C-CE2 3.41Å; G181-F186 VanDerWaalsContact O-CD2 3.32Å; G181-F186 WeakPolarHBondContact O-CD2 3.46Å; G181-F186 WeakPolarHBondContact O-CE2 3.39Å; G181-F186 PolarHBondContact O-N 3.41Å; F186-I188 HydrophobicContact CD1-CD1 4.12Å; F186-I188 HydrophobicContact CD1-CG1 3.96Å; F186-I188 HydrophobicContact CD1-CG2 4.48Å; F186-I188 HydrophobicContact CE1-CD1 3.6Å; F186-I188 HydrophobicContact CE1-CG1 3.93Å; F186-I188 HydrophobicContact CZ-CD1 4.27Å; F186-V204 HydrophobicContact CE1-CG1 4.22Å; F186-N205 VanDerWaalsContact CB-O 3.29Å; F186-N205 WeakPolarHBondContact CB-O 3.29Å; F186-A207 HydrophobicContact CE2-CB 4.24Å; F186-A207 HydrophobicContact CZ-CB 4.13Å; F186-V210 HydrophobicContact CE1-CG2 3.82Å; F186-V210 HydrophobicContact CZ-CG2 3.97Å
187	P	89.5	Confident	79.6	Confident	25 Å²	25	44.5 Å²	44.5	16%	0.162	25%	0.248	C	C	.	.			cis	-74.9	147.8	1.8	31.2	-36.4	0	0	0	114.1	R203 V204 F235 E237	P187-R203 HydrophobicContact CB-CG 4.43Å; P187-V204 VanDerWaalsContact CA-O 3.3Å; P187-V204 WeakPolarHBondContact CA-O 3.12Å; P187-F235 HydrophobicContact CB-CB 4.01Å; P187-F235 HydrophobicContact CB-CD1 4.3Å; P187-F235 HydrophobicContact CB-CG 4.44Å; P187-F235 HydrophobicContact CG-CB 4.08Å; P187-F235 HydrophobicContact CG-CD1 3.89Å; P187-F235 HydrophobicContact CG-CG 4.4Å; P187-F235 WeakPolarHBondContact O-CB 3.35Å; P187-F235 PolarHBondContact O-N 2.89Å; P187-E237 HydrophobicContact CG-CG 4.12Å
188	I	90.3	Very high	78.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	165.5	171.7	65.2	-175.6	0	0	0	109.8	V177 F180 G185 F186 V204 V232 E233	V177-I188 HydrophobicContact CG1-CD1 3.94Å; F180-I188 HydrophobicContact CD1-CG2 4.06Å; F180-I188 HydrophobicContact CE1-CG2 3.96Å; G185-I188 WeakPolarHBondContact O-CG2 3.36Å; F186-I188 HydrophobicContact CD1-CD1 4.12Å; F186-I188 HydrophobicContact CD1-CG1 3.96Å; F186-I188 HydrophobicContact CD1-CG2 4.48Å; F186-I188 HydrophobicContact CE1-CD1 3.6Å; F186-I188 HydrophobicContact CE1-CG1 3.93Å; F186-I188 HydrophobicContact CZ-CD1 4.27Å; I188-V204 HydrophobicContact CG1-CB 3.87Å; I188-V204 HydrophobicContact CG1-CG2 4.43Å; I188-V204 PolarHBondContact N-O 2.92Å; I188-V204 PolarHBondContact O-N 2.93Å; I188-V232 HydrophobicContact CB-CG2 4.1Å; I188-V232 HydrophobicContact CD1-CG2 4.02Å; I188-V232 HydrophobicContact CG1-CG2 4.23Å; I188-E233 CarbonylContact C-O 3.54Å; I188-E233 WeakPolarHBondContact CA-O 3.25Å
189	I	88	Confident	77.3	Confident	8 Å²	8	49 Å²	49	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.4	176.4	-173.7	158.8	0	0	0	111.6	K191 M201 R202 V232 E233 F235	I189-K191 HydrophobicContact CG1-CG 4.23Å; I189-M201 HydrophobicContact CD1-CE 3.53Å; I189-R202 WeakPolarHBondContact CA-O 3.44Å; I189-V232 WeakPolarHBondContact O-CA 3.43Å; I189-E233 HydrophobicContact CG2-CB 4.09Å; I189-E233 PolarHBondContact N-O 3.46Å; I189-E233 PolarHBondContact O-N 2.93Å; I189-F235 HydrophobicContact CB-CB 4.26Å; I189-F235 HydrophobicContact CB-CD2 4Å; I189-F235 HydrophobicContact CD1-CD2 3.93Å; I189-F235 HydrophobicContact CD1-CE2 4.24Å; I189-F235 HydrophobicContact CG2-CB 4.32Å; I189-F235 HydrophobicContact CG2-CD2 4.3Å
190	L	86.8	Confident	76.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	137.3	166.9	-71	166.2	0	0	0	109.3	V177 M201 R202 V204 A213 F214 A217 L230 V232	V177-L190 HydrophobicContact CG1-CD2 3.85Å; V177-L190 HydrophobicContact CG1-CG 4.42Å; V177-L190 HydrophobicContact CG2-CD2 3.98Å; L190-M201 CarbonylContact O-C 3.54Å; L190-M201 WeakPolarHBondContact O-CA 3.31Å; L190-M201 WeakPolarHBondContact O-CB 3.43Å; L190-R202 HydrophobicContact CB-CB 4.36Å; L190-R202 PolarHBondContact N-O 3Å; L190-R202 PolarHBondContact O-N 2.97Å; L190-V204 HydrophobicContact CD1-CG2 4.08Å; L190-V204 HydrophobicContact CG-CG2 4.37Å; L190-A213 HydrophobicContact CD1-CB 4.14Å; L190-F214 HydrophobicContact CD1-CB 4.12Å; L190-F214 HydrophobicContact CD1-CD2 4.26Å; L190-F214 HydrophobicContact CD2-CD2 3.94Å; L190-F214 HydrophobicContact CD2-CE2 4.46Å; L190-A217 HydrophobicContact CB-CB 4.47Å; L190-L230 HydrophobicContact CD2-CD1 4.25Å; L190-V232 HydrophobicContact CD2-CB 4.24Å; L190-V232 HydrophobicContact CD2-CG2 4.31Å
191	K	81.8	Confident	76	Confident	35 Å²	35	44.4 Å²	44.4	15%	0.152	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.6	177.2	-68.4	179.4	176.5	177.7	0	110.6	I189 A193 M201 L230 F231 E233	I189-K191 HydrophobicContact CG1-CG 4.23Å; K191-A193 PolarHBondContact O-N 2.97Å; K191-M201 HydrophobicContact CG-CB 4.19Å; K191-L230 CarbonylContact O-C 3.53Å; K191-L230 WeakPolarHBondContact O-CA 3.3Å; K191-F231 HydrophobicContact CB-CD1 4.01Å; K191-F231 HydrophobicContact CB-CE1 3.52Å; K191-F231 HydrophobicContact CB-CZ 3.87Å; K191-F231 HydrophobicContact CD-CE1 4.41Å; K191-F231 HydrophobicContact CD-CE2 4.46Å; K191-F231 HydrophobicContact CD-CZ 3.9Å; K191-F231 PolarHBondContact N-O 3.39Å; K191-F231 VanDerWaalsContact O-CD1 3.31Å; K191-F231 WeakPolarHBondContact O-CD1 3.37Å; K191-F231 PolarHBondContact O-N 2.85Å; K191-E233 VanDerWaalsContact CE-OE2 3.3Å; K191-E233 WeakPolarHBondContact CE-OE2 3.35Å; K191-E233 IonicContact NZ-OE2 2.68Å; K191-E233 PolarHBondContact NZ-OE2 3.33Å
192	A	78.5	Confident	75.9	Confident	5 Å²	5	48.9 Å²	48.9	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	127.5	167.8	0	0	0	0	0	111.1	Y194 G195 G200 S221 F225	A192-Y194 VanDerWaalsContact C-N 3.27Å; A192-Y194 PolarHBondContact O-N 3.39Å; A192-G195 PolarHBondContact O-N 2.91Å; A192-G200 PolarHBondContact N-O 2.95Å; A192-S221 WeakPolarHBondContact CB-OG 3.45Å; A192-F225 HydrophobicContact CB-CD2 4.01Å; A192-F225 HydrophobicContact CB-CE2 3.86Å
193	A	72.6	Confident	76	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-32.5	178.4	0	0	0	0	0	112.4	K191 A229 F231	K191-A193 PolarHBondContact O-N 2.97Å; A193-A229 HydrophobicContact CB-CB 4.23Å; A193-A229 PolarHBondContact N-O 3.19Å; A193-F231 HydrophobicContact CB-CD1 4.28Å
194	Y	66.8	Low	76.1	Confident	109 Å²	109	40.1 Å²	40.1	43%	0.427	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	28.3	-177.9	-57.6	-73.5	0	0	0	112.6	D148 A192 N227 A229	D148-Y194 VanDerWaalsContact OD2-CE1 3.29Å; D148-Y194 WeakPolarHBondContact OD2-CE1 3.24Å; D148-Y194 PolarHBondContact OD2-OH 3.42Å; A192-Y194 VanDerWaalsContact C-N 3.27Å; A192-Y194 PolarHBondContact O-N 3.39Å; Y194-N227 HydrophobicContact CD2-CB 4.03Å; Y194-N227 WeakPolarHBondContact CD2-ND2 3.38Å; Y194-N227 WeakPolarHBondContact CE2-ND2 3.41Å; Y194-A229 HydrophobicContact CD2-CB 4.23Å; Y194-A229 HydrophobicContact CE2-CB 4.03Å
195	G	59.4	Low	76.3	Confident	9 Å²	9	40.1 Å²	40.1	9%	0.093	22%	0.219	C	C	.	.			trans	-121.1	144	-172.4	0	0	0	0	0	115.5	K149 A192 F225	K149-G195 PolarHBondContact NZ-O 2.89Å; A192-G195 PolarHBondContact O-N 2.91Å; G195-F225 VanDerWaalsContact CA-CZ 3.49Å
196	G	57.8	Low	76.5	Confident	38 Å²	38	40.1 Å²	40.1	39%	0.392	22%	0.216	S	C	.	.			trans	-131.4	172.4	177.1	0	0	0	0	0	113	G198	G196-G198 PolarHBondContact O-N 2.98Å
197	G	55.9	Low	76.5	Confident	59 Å²	59	39.2 Å²	39.2	61%	0.608	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	21.6	171.7	0	0	0	0	0	116.4
198	G	59.2	Low	76.4	Confident	28 Å²	28	46.2 Å²	46.2	29%	0.289	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	8.1	173.1	0	0	0	0	0	116.3	G196	G196-G198 PolarHBondContact O-N 2.98Å
199	R	60.5	Low	76.2	Confident	130 Å²	130	49.7 Å²	49.7	49%	0.491	27%	0.266	S	S	.	.			trans	-100.9	150.5	178.9	-62	-176.1	179.1	-154.7	-2.9	111.5	F225	R199-F225 HydrophobicContact CB-CZ 4.09Å
200	G	66.4	Low	76.1	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	67.6	38	-176.5	0	0	0	0	0	113.4	A192 E220	A192-G200 PolarHBondContact N-O 2.95Å; G200-E220 PolarHBondContact N-OE1 3.1Å
201	M	77.5	Confident	76	Confident	45 Å²	45	56 Å²	56	22%	0.222	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.7	174.8	64.8	-169.4	-70.8	0	0	112.3	I189 L190 K191 H268	I189-M201 HydrophobicContact CD1-CE 3.53Å; L190-M201 CarbonylContact O-C 3.54Å; L190-M201 WeakPolarHBondContact O-CA 3.31Å; L190-M201 WeakPolarHBondContact O-CB 3.43Å; K191-M201 HydrophobicContact CG-CB 4.19Å; M201-H268 HydrophobicContact CE-CB 4.47Å; M201-H268 HydrophobicContact SD-CB 4.3Å
202	R	81.1	Confident	76.2	Confident	94 Å²	94	59.4 Å²	59.4	36%	0.355	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	115.1	-172.1	-92.5	-76.3	173.4	162.4	-2.5	111.5	I189 L190 A213 A217	I189-R202 WeakPolarHBondContact CA-O 3.44Å; L190-R202 HydrophobicContact CB-CB 4.36Å; L190-R202 PolarHBondContact N-O 3Å; L190-R202 PolarHBondContact O-N 2.97Å; R202-A213 HydrophobicContact CB-CB 4.5Å; R202-A217 HydrophobicContact CB-CB 4.39Å; R202-A217 HydrophobicContact CG-CB 4.32Å
203	R	86	Confident	76.5	Confident	95 Å²	95	59.4 Å²	59.4	36%	0.358	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.2	162.2	176	174.5	167.4	141	6.4	109	P187 N205 F235 E237	P187-R203 HydrophobicContact CB-CG 4.43Å; R203-N205 PolarHBondContact NE-OD1 3.18Å; R203-N205 PolarHBondContact NH2-OD1 2.97Å; R203-F235 HydrophobicContact CB-CD2 4.42Å; R203-F235 HydrophobicContact CB-CE2 4.49Å; R203-F235 HydrophobicContact CG-CD2 4.35Å; R203-F235 HydrophobicContact CG-CG 4.42Å; R203-E237 IonicContact CZ-OE1 2.69Å; R203-E237 VanDerWaalsContact CZ-OE1 3.24Å; R203-E237 IonicContact NH1-OE1 2.72Å; R203-E237 PolarHBondContact NH1-OE1 3.21Å; R203-E237 IonicContact NH2-OE1 3.82Å; R203-E237 PolarHBondContact NH2-OE1 3.01Å
204	V	87.6	Confident	77.1	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.7	177.9	-167.5	0	0	0	0	107.7	F186 P187 I188 L190 E209 V210 A213	F186-V204 HydrophobicContact CE1-CG1 4.22Å; P187-V204 VanDerWaalsContact CA-O 3.3Å; P187-V204 WeakPolarHBondContact CA-O 3.12Å; I188-V204 HydrophobicContact CG1-CB 3.87Å; I188-V204 HydrophobicContact CG1-CG2 4.43Å; I188-V204 PolarHBondContact N-O 2.92Å; I188-V204 PolarHBondContact O-N 2.93Å; L190-V204 HydrophobicContact CD1-CG2 4.08Å; L190-V204 HydrophobicContact CG-CG2 4.37Å; V204-E209 WeakPolarHBondContact CA-OE2 3.36Å; V204-E209 HydrophobicContact CG1-CB 3.66Å; V204-V210 HydrophobicContact CG1-CB 4.48Å; V204-V210 HydrophobicContact CG1-CG2 3.79Å; V204-A213 HydrophobicContact CG2-CB 3.68Å
205	N	87.1	Confident	77.9	Confident	75 Å²	75	58 Å²	58	40%	0.401	32%	0.319	S	S	.	.			trans	-98.3	-24.5	-170.8	-51.5	-70.6	0	0	0	113.5	F186 R203 E209	F186-N205 VanDerWaalsContact CB-O 3.29Å; F186-N205 WeakPolarHBondContact CB-O 3.29Å; R203-N205 PolarHBondContact NE-OD1 3.18Å; R203-N205 PolarHBondContact NH2-OD1 2.97Å; N205-E209 PolarHBondContact N-OE2 3.08Å; N205-E209 PolarHBondContact ND2-OE1 2.83Å; N205-E209 PolarHBondContact ND2-OE2 2.81Å; N205-E209 VanDerWaalsContact ND2-OE2 3.09Å
206	A	87.9	Confident	79	Confident	29 Å²	29	62.8 Å²	62.8	24%	0.24	33%	0.334	C	S	.	.	S	Bend	trans	-147.5	159	-174.8	0	0	0	0	0	111.3	E208 E209	A206-E208 PolarHBondContact O-N 2.82Å; A206-E209 PolarHBondContact O-N 3.19Å; A206-E209 VanDerWaalsContact O-N 3.13Å
207	A	85.4	Confident	80.1	Confident	39 Å²	39	61 Å²	61	32%	0.322	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.6	-34.5	178.2	0	0	0	0	0	113	L178 F186 E209 V210	L178-A207 HydrophobicContact CD1-CB 3.81Å; F186-A207 HydrophobicContact CE2-CB 4.24Å; F186-A207 HydrophobicContact CZ-CB 4.13Å; A207-E209 VanDerWaalsContact C-N 3.34Å; A207-E209 PolarHBondContact O-N 3.37Å; A207-V210 WeakPolarHBondContact O-CB 3.27Å; A207-V210 WeakPolarHBondContact O-CG2 3.4Å; A207-V210 PolarHBondContact O-N 2.65Å
208	E	87.6	Confident	81.4	Confident	173 Å²	173	60 Å²	60	81%	0.808	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-63	-36	177.9	-62	126.4	-108.1	0	0	113.4	A206 V210	A206-E208 PolarHBondContact O-N 2.82Å; E208-V210 VanDerWaalsContact C-N 3.3Å; E208-V210 PolarHBondContact O-N 2.81Å
209	E	86.9	Confident	82.4	Confident	73 Å²	73	62.6 Å²	62.6	34%	0.341	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-73.3	-21.9	-177	-67.1	-178.9	175.1	0	0	112.7	V204 N205 A206 A207 H211 E212 A213	V204-E209 WeakPolarHBondContact CA-OE2 3.36Å; V204-E209 HydrophobicContact CG1-CB 3.66Å; N205-E209 PolarHBondContact N-OE2 3.08Å; N205-E209 PolarHBondContact ND2-OE1 2.83Å; N205-E209 PolarHBondContact ND2-OE2 2.81Å; N205-E209 VanDerWaalsContact ND2-OE2 3.09Å; A206-E209 PolarHBondContact O-N 3.19Å; A206-E209 VanDerWaalsContact O-N 3.13Å; A207-E209 VanDerWaalsContact C-N 3.34Å; A207-E209 PolarHBondContact O-N 3.37Å; E209-H211 VanDerWaalsContact C-N 3.34Å; E209-H211 PolarHBondContact O-N 2.86Å; E209-E212 PolarHBondContact O-N 3.28Å; E209-A213 VanDerWaalsContact O-CB 3.29Å; E209-A213 WeakPolarHBondContact O-CB 3.48Å; E209-A213 PolarHBondContact O-N 2.86Å
210	V	84.9	Confident	83.2	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-55.9	-44.5	-168.6	177.6	0	0	0	0	112.2	V174 V177 L178 F186 V204 A207 E208 E212 F214	V174-V210 HydrophobicContact CG1-CG1 3.81Å; V177-V210 HydrophobicContact CB-CG1 3.94Å; V177-V210 HydrophobicContact CG1-CG1 3.63Å; L178-V210 HydrophobicContact CB-CG1 4.49Å; L178-V210 HydrophobicContact CD1-CB 4.21Å; L178-V210 HydrophobicContact CD1-CG2 4Å; F186-V210 HydrophobicContact CE1-CG2 3.82Å; F186-V210 HydrophobicContact CZ-CG2 3.97Å; V204-V210 HydrophobicContact CG1-CB 4.48Å; V204-V210 HydrophobicContact CG1-CG2 3.79Å; A207-V210 WeakPolarHBondContact O-CB 3.27Å; A207-V210 WeakPolarHBondContact O-CG2 3.4Å; A207-V210 PolarHBondContact O-N 2.65Å; E208-V210 VanDerWaalsContact C-N 3.3Å; E208-V210 PolarHBondContact O-N 2.81Å; V210-E212 PolarHBondContact O-N 3.19Å; V210-F214 VanDerWaalsContact O-CB 3.24Å; V210-F214 WeakPolarHBondContact O-CB 3.25Å; V210-F214 PolarHBondContact O-N 3.22Å
211	H	85.2	Confident	83.5	Confident	138 Å²	138	60.2 Å²	60.2	64%	0.639	31%	0.306	S	S	*	.	H	α-helix	trans	-62.5	-44.7	-177.4	-114.3	-67.5	0	0	0	113	V174 E209 A215	V174-H211 HydrophobicContact CG1-CB 4.4Å; E209-H211 VanDerWaalsContact C-N 3.34Å; E209-H211 PolarHBondContact O-N 2.86Å; H211-A215 PolarHBondContact O-N 3.25Å
212	E	85.9	Confident	83.5	Confident	108 Å²	108	64.7 Å²	64.7	51%	0.505	32%	0.324	S	S	.	.	H	α-helix	trans	-80.8	-34.8	-176.7	-159	-141.7	172.9	0	0	111.5	E209 V210 R216	E209-E212 PolarHBondContact O-N 3.28Å; V210-E212 PolarHBondContact O-N 3.19Å; E212-R216 WeakPolarHBondContact O-CB 3.41Å; E212-R216 WeakPolarHBondContact O-CG 3.33Å; E212-R216 PolarHBondContact O-N 3.33Å; E212-R216 VanDerWaalsContact O-N 3.1Å; E212-R216 IonicContact OE1-CZ 3.09Å; E212-R216 IonicContact OE1-NE 3.97Å; E212-R216 PolarHBondContact OE1-NE 3.06Å; E212-R216 IonicContact OE1-NH1 3.99Å; E212-R216 PolarHBondContact OE1-NH1 2.76Å; E212-R216 IonicContact OE1-NH2 3.93Å; E212-R216 PolarHBondContact OE1-NH2 2.86Å; E212-R216 IonicContact OE2-CZ 3.6Å; E212-R216 IonicContact OE2-NE 3.62Å; E212-R216 IonicContact OE2-NH2 2.73Å; E212-R216 PolarHBondContact OE2-NH2 2.67Å
213	A	84.3	Confident	83	Confident	5 Å²	5	64.6 Å²	64.6	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-42.5	174.8	0	0	0	0	0	111.8	L190 R202 V204 E209 A217	L190-A213 HydrophobicContact CD1-CB 4.14Å; R202-A213 HydrophobicContact CB-CB 4.5Å; V204-A213 HydrophobicContact CG2-CB 3.68Å; E209-A213 VanDerWaalsContact O-CB 3.29Å; E209-A213 WeakPolarHBondContact O-CB 3.48Å; E209-A213 PolarHBondContact O-N 2.86Å; A213-A217 VanDerWaalsContact O-CB 3.27Å; A213-A217 WeakPolarHBondContact O-CB 3.41Å; A213-A217 PolarHBondContact O-N 2.88Å
214	F	85.5	Confident	81.9	Confident	20 Å²	20	62.6 Å²	62.6	9%	0.088	35%	0.347	C	S	.	.	H	α-helix	trans	-62.6	-53.2	176.1	-167.9	-90.3	0	0	0	111.4	V174 V177 L190 V210 R216 A217 T218 L230	V174-F214 HydrophobicContact CG2-CB 4.42Å; V174-F214 HydrophobicContact CG2-CD1 3.83Å; V174-F214 HydrophobicContact CG2-CE1 4.29Å; V174-F214 HydrophobicContact CG2-CG 4.17Å; V177-F214 HydrophobicContact CG2-CD2 3.87Å; V177-F214 HydrophobicContact CG2-CE2 3.85Å; L190-F214 HydrophobicContact CD1-CB 4.12Å; L190-F214 HydrophobicContact CD1-CD2 4.26Å; L190-F214 HydrophobicContact CD2-CD2 3.94Å; L190-F214 HydrophobicContact CD2-CE2 4.46Å; V210-F214 VanDerWaalsContact O-CB 3.24Å; V210-F214 WeakPolarHBondContact O-CB 3.25Å; V210-F214 PolarHBondContact O-N 3.22Å; F214-R216 VanDerWaalsContact C-N 3.29Å; F214-R216 PolarHBondContact O-N 3.03Å; F214-A217 PolarHBondContact O-N 2.97Å; F214-A217 VanDerWaalsContact O-N 3.17Å; F214-T218 WeakPolarHBondContact O-CB 3.36Å; F214-T218 PolarHBondContact O-N 2.8Å; F214-T218 PolarHBondContact O-OG1 3.22Å; F214-T218 VanDerWaalsContact O-OG1 3.14Å; F214-L230 HydrophobicContact CD2-CD1 3.79Å; F214-L230 HydrophobicContact CE2-CB 4.36Å; F214-L230 HydrophobicContact CE2-CD1 3.88Å; F214-L230 HydrophobicContact CG-CD1 4.23Å; F214-L230 HydrophobicContact CZ-CD1 4.39Å
215	A	84.3	Confident	80.8	Confident	60 Å²	60	65.9 Å²	65.9	50%	0.496	36%	0.361	S	S	.	.	H	α-helix	trans	-56	-42.6	179.4	0	0	0	0	0	112.7	H211 S219	H211-A215 PolarHBondContact O-N 3.25Å; A215-S219 WeakPolarHBondContact O-CB 3.47Å; A215-S219 PolarHBondContact O-N 3.09Å; A215-S219 VanDerWaalsContact O-N 3.15Å
216	R	81.7	Confident	80.1	Confident	108 Å²	108	65.1 Å²	65.1	41%	0.408	37%	0.371	S	S	.	.	H	α-helix	trans	-67.7	-46.5	176.2	-70.8	-165.7	-78	-172	-4.2	112.3	E212 F214 T218 S219 E220	E212-R216 WeakPolarHBondContact O-CB 3.41Å; E212-R216 WeakPolarHBondContact O-CG 3.33Å; E212-R216 PolarHBondContact O-N 3.33Å; E212-R216 VanDerWaalsContact O-N 3.1Å; E212-R216 IonicContact OE1-CZ 3.09Å; E212-R216 IonicContact OE1-NE 3.97Å; E212-R216 PolarHBondContact OE1-NE 3.06Å; E212-R216 IonicContact OE1-NH1 3.99Å; E212-R216 PolarHBondContact OE1-NH1 2.76Å; E212-R216 IonicContact OE1-NH2 3.93Å; E212-R216 PolarHBondContact OE1-NH2 2.86Å; E212-R216 IonicContact OE2-CZ 3.6Å; E212-R216 IonicContact OE2-NE 3.62Å; E212-R216 IonicContact OE2-NH2 2.73Å; E212-R216 PolarHBondContact OE2-NH2 2.67Å; F214-R216 VanDerWaalsContact C-N 3.29Å; F214-R216 PolarHBondContact O-N 3.03Å; R216-T218 PolarHBondContact O-N 3.28Å; R216-S219 PolarHBondContact O-N 3.09Å; R216-E220 WeakPolarHBondContact O-CB 3.44Å; R216-E220 PolarHBondContact O-N 3.01Å
217	A	82	Confident	79.3	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.9	-39.2	179.9	0	0	0	0	0	112.9	L190 R202 A213 F214 S221 L230	L190-A217 HydrophobicContact CB-CB 4.47Å; R202-A217 HydrophobicContact CB-CB 4.39Å; R202-A217 HydrophobicContact CG-CB 4.32Å; A213-A217 VanDerWaalsContact O-CB 3.27Å; A213-A217 WeakPolarHBondContact O-CB 3.41Å; A213-A217 PolarHBondContact O-N 2.88Å; F214-A217 PolarHBondContact O-N 2.97Å; F214-A217 VanDerWaalsContact O-N 3.17Å; A217-S221 VanDerWaalsContact O-CB 3.29Å; A217-S221 WeakPolarHBondContact O-CB 3.25Å; A217-S221 PolarHBondContact O-N 2.9Å; A217-S221 PolarHBondContact O-OG 2.8Å; A217-L230 HydrophobicContact CB-CD1 3.69Å; A217-L230 HydrophobicContact CB-CD2 4.11Å
218	T	82.6	Confident	78.7	Confident	38 Å²	38	66 Å²	66	23%	0.233	37%	0.369	C	S	.	.	H	α-helix	trans	-63.2	-45.2	174.2	-62.5	0	0	0	0	110.9	F214 R216 K222 L230	F214-T218 WeakPolarHBondContact O-CB 3.36Å; F214-T218 PolarHBondContact O-N 2.8Å; F214-T218 PolarHBondContact O-OG1 3.22Å; F214-T218 VanDerWaalsContact O-OG1 3.14Å; R216-T218 PolarHBondContact O-N 3.28Å; T218-K222 VanDerWaalsContact O-CB 3.24Å; T218-K222 WeakPolarHBondContact O-CB 3.39Å; T218-K222 PolarHBondContact O-N 2.9Å; T218-L230 WeakPolarHBondContact OG1-CD1 3.48Å
219	S	80.5	Confident	78.2	Confident	83 Å²	83	58.9 Å²	58.9	58%	0.58	34%	0.341	S	S	*	.	H	α-helix	trans	-65	-43.5	178.4	-167.6	0	0	0	0	112.2	A215 R216 K222 A223	A215-S219 WeakPolarHBondContact O-CB 3.47Å; A215-S219 PolarHBondContact O-N 3.09Å; A215-S219 VanDerWaalsContact O-N 3.15Å; R216-S219 PolarHBondContact O-N 3.09Å; S219-K222 PolarHBondContact O-N 2.67Å; S219-A223 WeakPolarHBondContact O-CB 3.47Å; S219-A223 PolarHBondContact O-N 3.16Å
220	E	76.3	Confident	78	Confident	81 Å²	81	55.4 Å²	55.4	38%	0.379	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-44.7	178.2	-168.6	-175	153.7	0	0	111.4	G200 R216 K222 A223 A224	G200-E220 PolarHBondContact N-OE1 3.1Å; R216-E220 WeakPolarHBondContact O-CB 3.44Å; R216-E220 PolarHBondContact O-N 3.01Å; E220-K222 PolarHBondContact O-N 2.96Å; E220-A223 PolarHBondContact O-N 3.49Å; E220-A224 VanDerWaalsContact O-CB 3.3Å; E220-A224 WeakPolarHBondContact O-CB 3.49Å; E220-A224 PolarHBondContact O-N 3.38Å
221	S	73.4	Confident	77.9	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-42.9	177.4	-55.3	0	0	0	0	111.8	A192 A217 A223 A224 F225 N227 L230	A192-S221 WeakPolarHBondContact CB-OG 3.45Å; A217-S221 VanDerWaalsContact O-CB 3.29Å; A217-S221 WeakPolarHBondContact O-CB 3.25Å; A217-S221 PolarHBondContact O-N 2.9Å; A217-S221 PolarHBondContact O-OG 2.8Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 2.93Å; S221-A224 PolarHBondContact O-N 2.85Å; S221-F225 WeakPolarHBondContact O-CA 3.22Å; S221-F225 WeakPolarHBondContact O-CB 3.41Å; S221-F225 PolarHBondContact O-N 3.12Å; S221-N227 CarbonylContact C-O 3.44Å; S221-N227 VanDerWaalsContact C-O 3.23Å; S221-N227 WeakPolarHBondContact CB-O 3.49Å; S221-L230 WeakPolarHBondContact OG-CD2 3.45Å
222	K	76.6	Confident	78	Confident	139 Å²	139	49 Å²	49	60%	0.604	29%	0.294	S	S	*	.	H	α-helix	trans	-67	-31.8	178.8	-160.3	170.2	-172.6	172.5	0	112.5	T218 S219 E220 G226 N227	T218-K222 VanDerWaalsContact O-CB 3.24Å; T218-K222 WeakPolarHBondContact O-CB 3.39Å; T218-K222 PolarHBondContact O-N 2.9Å; S219-K222 PolarHBondContact O-N 2.67Å; E220-K222 PolarHBondContact O-N 2.96Å; K222-G226 VanDerWaalsContact O-CA 3.24Å; K222-G226 WeakPolarHBondContact O-CA 3.35Å; K222-G226 PolarHBondContact O-N 2.91Å; K222-N227 PolarHBondContact N-O 3.32Å
223	A	71.7	Confident	78	Confident	91 Å²	91	44 Å²	44	75%	0.752	27%	0.271	S	S	*	.	H	α-helix	trans	-76.8	-38.6	173.5	0	0	0	0	0	113.3	S219 E220 S221	S219-A223 WeakPolarHBondContact O-CB 3.47Å; S219-A223 PolarHBondContact O-N 3.16Å; E220-A223 PolarHBondContact O-N 3.49Å; S221-A223 VanDerWaalsContact C-N 3.31Å; S221-A223 PolarHBondContact O-N 2.93Å
224	A	63	Low	78.2	Confident	53 Å²	53	47.6 Å²	47.6	44%	0.438	29%	0.286	S	S	.	.	H	α-helix	trans	-83.8	-37.9	-175.8	0	0	0	0	0	114	E220 S221	E220-A224 VanDerWaalsContact O-CB 3.3Å; E220-A224 WeakPolarHBondContact O-CB 3.49Å; E220-A224 PolarHBondContact O-N 3.38Å; S221-A224 PolarHBondContact O-N 2.85Å
225	F	65.2	Low	78.2	Confident	69 Å²	69	48 Å²	48	30%	0.303	29%	0.288	S	S	.	.	H	α-helix	trans	-123	1.4	-170.2	-47.4	-62.8	0	0	0	113.2	A192 G195 R199 S221 N227	A192-F225 HydrophobicContact CB-CD2 4.01Å; A192-F225 HydrophobicContact CB-CE2 3.86Å; G195-F225 VanDerWaalsContact CA-CZ 3.49Å; R199-F225 HydrophobicContact CB-CZ 4.09Å; S221-F225 WeakPolarHBondContact O-CA 3.22Å; S221-F225 WeakPolarHBondContact O-CB 3.41Å; S221-F225 PolarHBondContact O-N 3.12Å; F225-N227 PolarHBondContact O-N 3.3Å
226	G	70.3	Confident	78.2	Confident	59 Å²	59	45.5 Å²	45.5	61%	0.608	27%	0.266	S	S	*	.	S	Bend	trans	74.6	-26.2	-177.4	0	0	0	0	0	114.9	K222	K222-G226 VanDerWaalsContact O-CA 3.24Å; K222-G226 WeakPolarHBondContact O-CA 3.35Å; K222-G226 PolarHBondContact O-N 2.91Å
227	N	71.1	Confident	78.4	Confident	72 Å²	72	45 Å²	45	39%	0.385	27%	0.268	S	S	.	.			trans	-104.8	131.7	176.5	-164.1	-17.1	0	0	0	111.3	Y194 S221 K222 F225 A229	Y194-N227 HydrophobicContact CD2-CB 4.03Å; Y194-N227 WeakPolarHBondContact CD2-ND2 3.38Å; Y194-N227 WeakPolarHBondContact CE2-ND2 3.41Å; S221-N227 CarbonylContact C-O 3.44Å; S221-N227 VanDerWaalsContact C-O 3.23Å; S221-N227 WeakPolarHBondContact CB-O 3.49Å; K222-N227 PolarHBondContact N-O 3.32Å; F225-N227 PolarHBondContact O-N 3.3Å; N227-A229 WeakPolarHBondContact OD1-CB 3.29Å; N227-A229 PolarHBondContact OD1-N 3.06Å
228	G	73.8	Confident	78.5	Confident	14 Å²	14	51.3 Å²	51.3	14%	0.144	29%	0.292	C	S	.	.			trans	-89.3	-0.9	178.8	0	0	0	0	0	114.9	L230	G228-L230 PolarHBondContact O-N 2.98Å
229	A	77.9	Confident	79	Confident	25 Å²	25	49.7 Å²	49.7	21%	0.207	28%	0.282	C	S	.	.			trans	-60.1	125	-177.8	0	0	0	0	0	112.3	P170 A193 Y194 N227	P170-A229 HydrophobicContact CB-CB 4.31Å; A193-A229 HydrophobicContact CB-CB 4.23Å; A193-A229 PolarHBondContact N-O 3.19Å; Y194-A229 HydrophobicContact CD2-CB 4.23Å; Y194-A229 HydrophobicContact CE2-CB 4.03Å; N227-A229 WeakPolarHBondContact OD1-CB 3.29Å; N227-A229 PolarHBondContact OD1-N 3.06Å
230	L	81.5	Confident	79.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	158.1	176.5	-59	-177.5	0	0	0	110.6	P170 T171 L190 K191 F214 A217 T218 S221 G228	P170-L230 CarbonylContact C-O 3.34Å; P170-L230 VanDerWaalsContact CA-O 3.26Å; P170-L230 WeakPolarHBondContact CA-O 3.31Å; T171-L230 PolarHBondContact N-O 3.07Å; T171-L230 PolarHBondContact OG1-O 2.78Å; L190-L230 HydrophobicContact CD2-CD1 4.25Å; K191-L230 CarbonylContact O-C 3.53Å; K191-L230 WeakPolarHBondContact O-CA 3.3Å; F214-L230 HydrophobicContact CD2-CD1 3.79Å; F214-L230 HydrophobicContact CE2-CB 4.36Å; F214-L230 HydrophobicContact CE2-CD1 3.88Å; F214-L230 HydrophobicContact CG-CD1 4.23Å; F214-L230 HydrophobicContact CZ-CD1 4.39Å; A217-L230 HydrophobicContact CB-CD1 3.69Å; A217-L230 HydrophobicContact CB-CD2 4.11Å; T218-L230 WeakPolarHBondContact OG1-CD1 3.48Å; S221-L230 WeakPolarHBondContact OG-CD2 3.45Å; G228-L230 PolarHBondContact O-N 2.98Å
231	F	84	Confident	80.5	Confident	3 Å²	3	44.1 Å²	44.1	1%	0.013	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	166.2	159.3	72.9	-71.9	0	0	0	109.4	K149 K191 A193 E233	K149-F231 HydrophobicContact CB-CE1 4.2Å; K149-F231 HydrophobicContact CB-CZ 4.11Å; K149-F231 HydrophobicContact CD-CE1 4.46Å; K149-F231 HydrophobicContact CD-CZ 4.47Å; K191-F231 HydrophobicContact CB-CD1 4.01Å; K191-F231 HydrophobicContact CB-CE1 3.52Å; K191-F231 HydrophobicContact CB-CZ 3.87Å; K191-F231 HydrophobicContact CD-CE1 4.41Å; K191-F231 HydrophobicContact CD-CE2 4.46Å; K191-F231 HydrophobicContact CD-CZ 3.9Å; K191-F231 PolarHBondContact N-O 3.39Å; K191-F231 VanDerWaalsContact O-CD1 3.31Å; K191-F231 WeakPolarHBondContact O-CD1 3.37Å; K191-F231 PolarHBondContact O-N 2.85Å; A193-F231 HydrophobicContact CB-CD1 4.28Å; F231-E233 HydrophobicContact CD2-CG 4.07Å; F231-E233 HydrophobicContact CE2-CG 3.71Å
232	V	86.3	Confident	81.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.6	-179	73	0	0	0	0	111.1	G166 I167 V177 F180 I188 I189 L190	G166-V232 CarbonylContact C-O 3.49Å; G166-V232 WeakPolarHBondContact CA-O 3.38Å; I167-V232 HydrophobicContact CB-CG1 4.14Å; I167-V232 HydrophobicContact CD1-CG1 3.62Å; I167-V232 HydrophobicContact CG1-CG1 3.64Å; I167-V232 PolarHBondContact N-O 2.74Å; V177-V232 HydrophobicContact CG1-CG2 4.14Å; F180-V232 HydrophobicContact CB-CG1 4.17Å; F180-V232 HydrophobicContact CD1-CB 4.47Å; F180-V232 HydrophobicContact CD1-CG1 3.66Å; F180-V232 HydrophobicContact CD1-CG2 3.98Å; F180-V232 HydrophobicContact CD2-CG1 4.4Å; F180-V232 HydrophobicContact CE1-CG1 4.17Å; F180-V232 HydrophobicContact CE1-CG2 4.25Å; F180-V232 HydrophobicContact CG-CG1 3.81Å; I188-V232 HydrophobicContact CB-CG2 4.1Å; I188-V232 HydrophobicContact CD1-CG2 4.02Å; I188-V232 HydrophobicContact CG1-CG2 4.23Å; I189-V232 WeakPolarHBondContact O-CA 3.43Å; L190-V232 HydrophobicContact CD2-CB 4.24Å; L190-V232 HydrophobicContact CD2-CG2 4.31Å
233	E	87.1	Confident	82.6	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	159.7	172.3	-68.1	-178.4	146.9	0	0	110.3	R153 V164 P165 I188 I189 K191 F231 F235	R153-E233 IonicContact CZ-OE1 3.7Å; R153-E233 IonicContact NH1-OE1 2.72Å; R153-E233 PolarHBondContact NH1-OE1 2.99Å; V164-E233 HydrophobicContact CG1-CB 3.97Å; V164-E233 HydrophobicContact CG1-CG 4.48Å; P165-E233 CarbonylContact O-C 3.59Å; P165-E233 WeakPolarHBondContact O-CA 3.48Å; I188-E233 CarbonylContact C-O 3.54Å; I188-E233 WeakPolarHBondContact CA-O 3.25Å; I189-E233 HydrophobicContact CG2-CB 4.09Å; I189-E233 PolarHBondContact N-O 3.46Å; I189-E233 PolarHBondContact O-N 2.93Å; K191-E233 VanDerWaalsContact CE-OE2 3.3Å; K191-E233 WeakPolarHBondContact CE-OE2 3.35Å; K191-E233 IonicContact NZ-OE2 2.68Å; K191-E233 PolarHBondContact NZ-OE2 3.33Å; F231-E233 HydrophobicContact CD2-CG 4.07Å; F231-E233 HydrophobicContact CE2-CG 3.71Å; E233-F235 PolarHBondContact O-N 3.1Å
234	K	87.3	Confident	83.9	Confident	82 Å²	82	33.1 Å²	33.1	36%	0.357	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	132.4	164.3	-175.8	177.4	-178.9	-177.4	0	109.3	V164 P165 I236	V164-K234 HydrophobicContact CG1-CB 4.37Å; V164-K234 WeakPolarHBondContact CG1-O 3.48Å; P165-K234 HydrophobicContact CB-CB 4.36Å; P165-K234 PolarHBondContact O-N 3.07Å; K234-I236 PolarHBondContact O-N 3.48Å
235	F	85.6	Confident	85.5	Confident	28 Å²	28	30.6 Å²	30.6	12%	0.123	16%	0.16	C	C	.	.			trans	-79.5	112.4	174.1	-177.6	-90.8	0	0	0	109.2	P187 I189 R203 E233 E237	P187-F235 HydrophobicContact CB-CB 4.01Å; P187-F235 HydrophobicContact CB-CD1 4.3Å; P187-F235 HydrophobicContact CB-CG 4.44Å; P187-F235 HydrophobicContact CG-CB 4.08Å; P187-F235 HydrophobicContact CG-CD1 3.89Å; P187-F235 HydrophobicContact CG-CG 4.4Å; P187-F235 WeakPolarHBondContact O-CB 3.35Å; P187-F235 PolarHBondContact O-N 2.89Å; I189-F235 HydrophobicContact CB-CB 4.26Å; I189-F235 HydrophobicContact CB-CD2 4Å; I189-F235 HydrophobicContact CD1-CD2 3.93Å; I189-F235 HydrophobicContact CD1-CE2 4.24Å; I189-F235 HydrophobicContact CG2-CB 4.32Å; I189-F235 HydrophobicContact CG2-CD2 4.3Å; R203-F235 HydrophobicContact CB-CD2 4.42Å; R203-F235 HydrophobicContact CB-CE2 4.49Å; R203-F235 HydrophobicContact CG-CD2 4.35Å; R203-F235 HydrophobicContact CG-CG 4.42Å; E233-F235 PolarHBondContact O-N 3.1Å; F235-E237 HydrophobicContact CD1-CG 3.95Å; F235-E237 HydrophobicContact CE1-CG 4.09Å
236	I	85.3	Confident	87.1	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.041	15%	0.146	C	C	.	.			trans	-71.6	126.2	172.4	-53.4	-58	0	0	0	108.4	V164 K234 P239 L310 E312 Y318	V164-I236 HydrophobicContact CG1-CD1 4.2Å; V164-I236 HydrophobicContact CG1-CG1 4.26Å; V164-I236 HydrophobicContact CG2-CG1 4.44Å; K234-I236 PolarHBondContact O-N 3.48Å; I236-P239 HydrophobicContact CB-CB 4.43Å; I236-P239 HydrophobicContact CB-CG 4.24Å; I236-P239 HydrophobicContact CG2-CB 3.78Å; I236-P239 HydrophobicContact CG2-CG 4.03Å; I236-P239 VanDerWaalsContact O-CD 3.29Å; I236-P239 WeakPolarHBondContact O-CD 3.29Å; I236-L310 HydrophobicContact CB-CD1 4.38Å; I236-L310 HydrophobicContact CG1-CD1 4.24Å; I236-E312 HydrophobicContact CG2-CG 3.38Å; I236-Y318 HydrophobicContact CD1-CD2 4.22Å; I236-Y318 HydrophobicContact CD1-CE2 4.18Å
237	E	84.5	Confident	88.3	Confident	96 Å²	96	24.6 Å²	24.6	45%	0.449	12%	0.117	S	C	.	.	S	Bend	trans	-90.7	135.5	178.9	-64.2	-144.2	122.4	0	0	112.3	P187 R203 F235	P187-E237 HydrophobicContact CG-CG 4.12Å; R203-E237 IonicContact CZ-OE1 2.69Å; R203-E237 VanDerWaalsContact CZ-OE1 3.24Å; R203-E237 IonicContact NH1-OE1 2.72Å; R203-E237 PolarHBondContact NH1-OE1 3.21Å; R203-E237 IonicContact NH2-OE1 3.82Å; R203-E237 PolarHBondContact NH2-OE1 3.01Å; F235-E237 HydrophobicContact CD1-CG 3.95Å; F235-E237 HydrophobicContact CE1-CG 4.09Å
238	R	85.5	Confident	89.5	Confident	133 Å²	133	21.1 Å²	21.1	50%	0.502	10%	0.099	S	C	.	.	S	Bend	trans	44.7	46.4	-175.1	-63.3	-172.9	178.1	114.3	-3.4	115.4	D474 E480	R238-D474 HydrophobicContact CB-CB 4.18Å; R238-D474 WeakPolarHBondContact CD-OD2 3.4Å; R238-E480 IonicContact CZ-OE1 2.34Å; R238-E480 IonicContact NE-OE1 3.21Å; R238-E480 PolarHBondContact NE-OE1 3.44Å; R238-E480 IonicContact NH2-OE1 2.72Å; R238-E480 PolarHBondContact NH2-OE1 3.49Å
239	P	91.8	Very high	90.4	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.032	9%	0.092	C	C	.	.			trans	-70.3	147	172.3	29.1	-32.2	0	0	0	110.6	I236 L310 L311 T475	I236-P239 HydrophobicContact CB-CB 4.43Å; I236-P239 HydrophobicContact CB-CG 4.24Å; I236-P239 HydrophobicContact CG2-CB 3.78Å; I236-P239 HydrophobicContact CG2-CG 4.03Å; I236-P239 VanDerWaalsContact O-CD 3.29Å; I236-P239 WeakPolarHBondContact O-CD 3.29Å; P239-L310 HydrophobicContact CB-CB 3.86Å; P239-L310 HydrophobicContact CB-CD2 4.06Å; P239-L310 HydrophobicContact CB-CG 4.39Å; P239-L310 HydrophobicContact CG-CB 4.48Å; P239-L310 HydrophobicContact CG-CD1 4.37Å; P239-L310 HydrophobicContact CG-CD2 4.03Å; P239-L311 CarbonylContact C-O 3.54Å; P239-L311 VanDerWaalsContact CA-O 3.31Å; P239-L311 WeakPolarHBondContact CA-O 3.16Å; P239-T475 WeakPolarHBondContact CD-OG1 3.45Å; P239-T475 WeakPolarHBondContact CG-OG1 3.22Å; P239-T475 WeakPolarHBondContact O-CB 3.45Å; P239-T475 WeakPolarHBondContact O-CG2 3.3Å; P239-T475 PolarHBondContact O-N 3.25Å; P239-T475 PolarHBondContact O-OG1 3.33Å
240	R	94.2	Very high	90.9	Very high	35 Å²	35	21.2 Å²	21.2	13%	0.132	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.2	152.9	-75.4	173.9	69.7	176.2	3.1	108.7	I242 D261 S263 P278 L311 V473	R240-I242 HydrophobicContact CB-CD1 4.03Å; R240-I242 HydrophobicContact CB-CG1 4.09Å; R240-D261 IonicContact CZ-OD2 3.14Å; R240-D261 IonicContact NE-OD2 3.59Å; R240-D261 PolarHBondContact NE-OD2 3.47Å; R240-D261 IonicContact NH2-OD2 2.76Å; R240-D261 PolarHBondContact NH2-OD2 2.9Å; R240-S263 VanDerWaalsContact CA-OG 3.23Å; R240-S263 WeakPolarHBondContact CA-OG 3.38Å; R240-S263 WeakPolarHBondContact CB-OG 3.47Å; R240-P278 PolarHBondContact NH1-O 2.96Å; R240-P278 VanDerWaalsContact NH1-O 3.11Å; R240-P278 PolarHBondContact NH2-O 2.92Å; R240-L311 HydrophobicContact CB-CB 4.31Å; R240-L311 PolarHBondContact N-O 3.27Å; R240-L311 PolarHBondContact O-N 3.36Å; R240-V473 VanDerWaalsContact CG-O 3.29Å; R240-V473 WeakPolarHBondContact CG-O 3.06Å
241	H	95	Very high	91.3	Very high	11 Å²	11	26.1 Å²	26.1	5%	0.051	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104.7	171.7	-178	115	0	0	0	107.4	E243 C262 S263 Q265 K270 E308 L310 T475	H241-E243 IonicContact NE2-OE2 2.7Å; H241-C262 PolarHBondContact O-N 2.71Å; H241-S263 PolarHBondContact N-OG 2.73Å; H241-Q265 VanDerWaalsContact CG-NE2 3.34Å; H241-Q265 PolarHBondContact ND1-NE2 2.93Å; H241-K270 VanDerWaalsContact NE2-CE 3.33Å; H241-K270 WeakPolarHBondContact NE2-CE 3.06Å; H241-E308 IonicContact CE1-OE2 3.28Å; H241-E308 PolarHBondContact CE1-OE2 2.91Å; H241-E308 IonicContact NE2-OE1 2.84Å; H241-E308 IonicContact NE2-OE2 2.78Å; H241-L310 HydrophobicContact CB-CD2 4.46Å; H241-T475 HydrophobicContact CB-CG2 3.91Å
242	I	96.6	Very high	91.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.3	-178.1	-54.2	-59.3	0	0	0	108.2	R240 E259 R260 D261 A277 M288 F309 L311	R240-I242 HydrophobicContact CB-CD1 4.03Å; R240-I242 HydrophobicContact CB-CG1 4.09Å; I242-E259 HydrophobicContact CG2-CB 3.82Å; I242-E259 HydrophobicContact CG2-CG 3.78Å; I242-R260 WeakPolarHBondContact CA-O 3.15Å; I242-D261 HydrophobicContact CD1-CB 3.85Å; I242-D261 WeakPolarHBondContact CD1-OD2 3.33Å; I242-A277 HydrophobicContact CD1-CB 3.96Å; I242-M288 HydrophobicContact CB-CE 4.35Å; I242-M288 HydrophobicContact CB-SD 4.28Å; I242-M288 HydrophobicContact CG2-CE 3.74Å; I242-M288 HydrophobicContact CG2-SD 4.16Å; I242-F309 PolarHBondContact N-O 3.43Å; I242-F309 WeakPolarHBondContact O-CA 3.31Å; I242-F309 WeakPolarHBondContact O-CB 3.46Å; I242-F309 PolarHBondContact O-N 3.13Å; I242-F309 VanDerWaalsContact O-O 3.05Å; I242-L311 HydrophobicContact CG1-CB 4.13Å; I242-L311 HydrophobicContact CG1-CD2 4.02Å
243	E	97.3	Very high	91.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.1	-176.2	66.6	174.3	-160.3	0	0	111.6	H241 E259 R260 C262 K270 T306 V307 E308 Q327 E329	H241-E243 IonicContact NE2-OE2 2.7Å; E243-E259 CarbonylContact O-C 3.46Å; E243-E259 WeakPolarHBondContact O-CA 3.4Å; E243-E259 WeakPolarHBondContact O-CB 3.47Å; E243-R260 HydrophobicContact CG-CB 3.89Å; E243-R260 PolarHBondContact N-O 3.19Å; E243-R260 PolarHBondContact O-N 3.04Å; E243-R260 IonicContact OE1-CZ 3.11Å; E243-R260 VanDerWaalsContact OE1-CZ 3.23Å; E243-R260 IonicContact OE1-NE 2.64Å; E243-R260 PolarHBondContact OE1-NE 2.94Å; E243-R260 IonicContact OE1-NH2 2.68Å; E243-R260 PolarHBondContact OE1-NH2 3.09Å; E243-C262 PolarHBondContact OE1-SG 3.11Å; E243-K270 IonicContact OE1-NZ 3.81Å; E243-K270 IonicContact OE2-NZ 3.12Å; E243-K270 PolarHBondContact OE2-NZ 3.49Å; E243-T306 HydrophobicContact CB-CG2 3.59Å; E243-T306 HydrophobicContact CG-CG2 3.85Å; E243-V307 CarbonylContact C-O 3.51Å; E243-V307 WeakPolarHBondContact CA-O 3.48Å; E243-E308 HydrophobicContact CB-CB 4.43Å; E243-E308 HydrophobicContact CB-CG 4Å; E243-Q327 PolarHBondContact OE1-OE1 3.14Å; E243-Q327 VanDerWaalsContact OE1-OE1 3.09Å; E243-Q327 PolarHBondContact OE2-NE2 3.11Å; E243-Q327 PolarHBondContact OE2-OE1 3.28Å; E243-E329 VanDerWaalsContact OE1-CG 3.32Å; E243-E329 WeakPolarHBondContact OE1-CG 3.46Å
244	V	98	Very high	92.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118.9	-176	178.3	0	0	0	0	110.2	I246 H256 E259 L289 A292 T306 V307 F309	V244-I246 HydrophobicContact CG1-CG2 4.34Å; V244-I246 PolarHBondContact O-N 3.3Å; V244-H256 HydrophobicContact CG1-CB 3.91Å; V244-E259 HydrophobicContact CG2-CB 4.2Å; V244-L289 HydrophobicContact CB-CD2 4.42Å; V244-L289 HydrophobicContact CG1-CD2 3.63Å; V244-L289 HydrophobicContact CG2-CD2 3.9Å; V244-A292 HydrophobicContact CB-CB 3.72Å; V244-A292 HydrophobicContact CG1-CB 3.67Å; V244-A292 HydrophobicContact CG2-CB 4.09Å; V244-T306 WeakPolarHBondContact O-CA 3.29Å; V244-V307 PolarHBondContact N-O 2.91Å; V244-V307 PolarHBondContact O-N 2.61Å; V244-F309 HydrophobicContact CB-CE2 4.41Å; V244-F309 HydrophobicContact CG2-CD2 4.33Å; V244-F309 HydrophobicContact CG2-CE2 3.87Å
245	Q	98.2	Very high	92.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	124.4	171.9	-179.6	65.9	58	0	0	109.7	H256 L257 Y258 G305 T306 T333 L341	Q245-H256 CarbonylContact O-C 3.48Å; Q245-H256 VanDerWaalsContact O-CA 3.27Å; Q245-H256 WeakPolarHBondContact O-CA 3.37Å; Q245-L257 HydrophobicContact CB-CB 4.03Å; Q245-L257 HydrophobicContact CG-CB 3.79Å; Q245-L257 HydrophobicContact CG-CD1 4.06Å; Q245-L257 HydrophobicContact CG-CG 4.27Å; Q245-L257 PolarHBondContact O-N 3.37Å; Q245-Y258 PolarHBondContact N-O 3.38Å; Q245-G305 PolarHBondContact NE2-O 2.84Å; Q245-T306 PolarHBondContact OE1-OG1 3.24Å; Q245-T333 HydrophobicContact CB-CG2 4.26Å; Q245-T333 HydrophobicContact CG-CG2 4.15Å; Q245-L341 HydrophobicContact CG-CD1 3.94Å; Q245-L341 HydrophobicContact CG-CD2 4.28Å
246	I	97.1	Very high	93.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	154.5	173.5	58.1	168.4	0	0	0	111.3	V244 L255 A292 A296 Y301 G305 V307	V244-I246 HydrophobicContact CG1-CG2 4.34Å; V244-I246 PolarHBondContact O-N 3.3Å; I246-L255 WeakPolarHBondContact CA-O 3.38Å; I246-A292 HydrophobicContact CG2-CB 4.42Å; I246-A296 HydrophobicContact CD1-CB 3.68Å; I246-Y301 HydrophobicContact CD1-CD1 3.69Å; I246-Y301 HydrophobicContact CD1-CD2 4.1Å; I246-Y301 HydrophobicContact CD1-CE1 3.96Å; I246-Y301 HydrophobicContact CD1-CE2 4.32Å; I246-Y301 HydrophobicContact CD1-CG 3.79Å; I246-Y301 HydrophobicContact CG1-CD1 4.41Å; I246-Y301 HydrophobicContact CG1-CE1 4.38Å; I246-G305 VanDerWaalsContact CG1-C 3.49Å; I246-G305 VanDerWaalsContact CG1-O 3.29Å; I246-G305 WeakPolarHBondContact CG1-O 3.44Å; I246-G305 PolarHBondContact N-O 3.44Å; I246-G305 PolarHBondContact O-N 3.49Å; I246-G305 VanDerWaalsContact O-N 3.08Å; I246-V307 HydrophobicContact CD1-CG2 4.05Å; I246-V307 HydrophobicContact CG2-CG2 4.25Å
247	L	96.4	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	123.3	173.3	-171.5	71.8	0	0	0	108.4	I254 L255 A304 L341 A344 I348 I354 L359	L247-I254 WeakPolarHBondContact O-CA 3.36Å; L247-L255 HydrophobicContact CB-CD1 3.9Å; L247-L255 HydrophobicContact CB-CG 4.4Å; L247-L255 HydrophobicContact CD2-CD1 4.41Å; L247-L255 PolarHBondContact N-O 2.97Å; L247-L255 PolarHBondContact O-N 3.03Å; L247-A304 HydrophobicContact CD1-CB 4.12Å; L247-L341 HydrophobicContact CD1-CD2 4.35Å; L247-A344 HydrophobicContact CD1-CB 4.34Å; L247-A344 HydrophobicContact CD2-CB 4.06Å; L247-I348 HydrophobicContact CD1-CD1 3.63Å; L247-I348 HydrophobicContact CD2-CD1 4.08Å; L247-I348 HydrophobicContact CG-CD1 3.67Å; L247-I354 WeakPolarHBondContact O-CD1 3.32Å; L247-L359 HydrophobicContact CD2-CD1 3.93Å
248	G	95.4	Very high	94.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145	-179.7	0	0	0	0	0	113.2	N253 Q302 N303	G248-N253 CarbonylContact C-O 3.37Å; G248-N253 VanDerWaalsContact CA-O 3.31Å; G248-N253 WeakPolarHBondContact CA-O 3.39Å; G248-Q302 CarbonylContact O-C 3.28Å; G248-N303 PolarHBondContact N-O 3.19Å; G248-N303 PolarHBondContact O-N 3.09Å
249	D	93.8	Very high	94.9	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.			trans	-105.5	169.2	177.4	72.8	19.8	0	0	0	113.9	Y251 G252 N253 I348 S353 I354	D249-Y251 HydrophobicContact CB-CD2 4.48Å; D249-Y251 PolarHBondContact O-N 3.31Å; D249-Y251 VanDerWaalsContact O-N 3.08Å; D249-Y251 WeakPolarHBondContact OD1-CA 3.46Å; D249-Y251 WeakPolarHBondContact OD1-CB 3.32Å; D249-Y251 PolarHBondContact OD1-N 2.84Å; D249-G252 PolarHBondContact O-N 3.19Å; D249-G252 PolarHBondContact OD1-N 2.88Å; D249-G252 VanDerWaalsContact OD1-N 3.12Å; D249-N253 PolarHBondContact N-O 3.39Å; D249-N253 PolarHBondContact OD1-N 2.77Å; D249-N253 PolarHBondContact OD1-ND2 3.18Å; D249-N253 WeakPolarHBondContact OD2-CB 3.3Å; D249-N253 PolarHBondContact OD2-ND2 2.84Å; D249-I348 HydrophobicContact CB-CG2 4.45Å; D249-S353 VanDerWaalsContact OD2-CA 3.25Å; D249-S353 WeakPolarHBondContact OD2-CA 3.31Å; D249-S353 WeakPolarHBondContact OD2-CB 3.49Å; D249-I354 HydrophobicContact CB-CD1 4.24Å; D249-I354 HydrophobicContact CB-CG1 4.14Å; D249-I354 PolarHBondContact OD2-N 3.09Å
250	H	88.2	Confident	95.2	Very high	41 Å²	41	18.7 Å²	18.7	19%	0.19	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-3.3	178.6	-58.8	-66	0	0	0	114.2	Q302 I348	H250-Q302 PolarHBondContact CE1-OE1 3.49Å; H250-Q302 PolarHBondContact ND1-OE1 3.08Å; H250-I348 PolarHBondContact CD2-O 3.01Å; H250-I348 PolarHBondContact NE2-O 3.01Å; H250-I348 VanDerWaalsContact NE2-O 3.14Å
251	Y	90.6	Very high	95.3	Very high	103 Å²	103	17.1 Å²	17.1	40%	0.404	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	2.4	178.3	-52.8	-81.2	0	0	0	112.5	D249 G351	D249-Y251 HydrophobicContact CB-CD2 4.48Å; D249-Y251 PolarHBondContact O-N 3.31Å; D249-Y251 VanDerWaalsContact O-N 3.08Å; D249-Y251 WeakPolarHBondContact OD1-CA 3.46Å; D249-Y251 WeakPolarHBondContact OD1-CB 3.32Å; D249-Y251 PolarHBondContact OD1-N 2.84Å; Y251-G351 PolarHBondContact OH-O 3.13Å
252	G	88.7	Confident	95.4	Very high	47 Å²	47	16.6 Å²	16.6	49%	0.485	9%	0.087	S	C	.	.	S	Bend	trans	80.7	13	178.9	0	0	0	0	0	114.4	D249	D249-G252 PolarHBondContact O-N 3.19Å; D249-G252 PolarHBondContact OD1-N 2.88Å; D249-G252 VanDerWaalsContact OD1-N 3.12Å
253	N	93.1	Very high	95.3	Very high	60 Å²	60	16.6 Å²	16.6	32%	0.321	9%	0.087	S	C	.	.			trans	-76.2	136.8	163.9	-51.5	-76.6	0	0	0	108.2	G248 D249 I354	G248-N253 CarbonylContact C-O 3.37Å; G248-N253 VanDerWaalsContact CA-O 3.31Å; G248-N253 WeakPolarHBondContact CA-O 3.39Å; D249-N253 PolarHBondContact N-O 3.39Å; D249-N253 PolarHBondContact OD1-N 2.77Å; D249-N253 PolarHBondContact OD1-ND2 3.18Å; D249-N253 WeakPolarHBondContact OD2-CB 3.3Å; D249-N253 PolarHBondContact OD2-ND2 2.84Å; N253-I354 HydrophobicContact CB-CB 4.32Å; N253-I354 HydrophobicContact CB-CD1 4.2Å; N253-I354 WeakPolarHBondContact O-CD1 3.32Å
254	I	94.6	Very high	95.1	Very high	35 Å²	35	16.6 Å²	16.6	18%	0.179	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	138.8	175.2	-52.8	-178.6	0	0	0	107.9	L247 L293 A296 K297	L247-I254 WeakPolarHBondContact O-CA 3.36Å; I254-L293 HydrophobicContact CB-CD2 4.47Å; I254-L293 HydrophobicContact CG2-CD2 3.88Å; I254-A296 VanDerWaalsContact CD1-C 3.44Å; I254-A296 HydrophobicContact CD1-CB 3.9Å; I254-A296 WeakPolarHBondContact CD1-O 3.3Å; I254-A296 HydrophobicContact CG2-CB 3.99Å; I254-K297 HydrophobicContact CD1-CB 4.2Å
255	L	95.6	Very high	94.7	Very high	4 Å²	4	17.1 Å²	17.1	2%	0.021	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	161.4	172.4	62.6	75.5	0	0	0	111.3	I246 L247 L257 I354 L359 V364	I246-L255 WeakPolarHBondContact CA-O 3.38Å; L247-L255 HydrophobicContact CB-CD1 3.9Å; L247-L255 HydrophobicContact CB-CG 4.4Å; L247-L255 HydrophobicContact CD2-CD1 4.41Å; L247-L255 PolarHBondContact N-O 2.97Å; L247-L255 PolarHBondContact O-N 3.03Å; L255-L257 HydrophobicContact CD1-CD2 3.49Å; L255-L257 VanDerWaalsContact CD1-CD2 3.49Å; L255-L257 HydrophobicContact CD1-CG 3.82Å; L255-I354 HydrophobicContact CD2-CG2 3.67Å; L255-I354 HydrophobicContact CG-CD1 4.34Å; L255-L359 HydrophobicContact CD2-CB 3.81Å; L255-L359 HydrophobicContact CD2-CD1 4.45Å; L255-V364 HydrophobicContact CD2-CG2 4.46Å
256	H	96.8	Very high	94	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.028	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	144.1	168.6	65.7	63.6	0	0	0	110.8	V244 Q245 Y258 L289 L293 Q361	V244-H256 HydrophobicContact CG1-CB 3.91Å; Q245-H256 CarbonylContact O-C 3.48Å; Q245-H256 VanDerWaalsContact O-CA 3.27Å; Q245-H256 WeakPolarHBondContact O-CA 3.37Å; H256-Y258 AromaticContact CE1-CE2 3.98Å; H256-Y258 AromaticContact ND1-CD2 3.99Å; H256-L289 HydrophobicContact CB-CD2 4.14Å; H256-L293 HydrophobicContact CB-CD2 4.38Å; H256-Q361 PolarHBondContact CD2-OE1 3.16Å; H256-Q361 PolarHBondContact CE1-NE2 3.32Å; H256-Q361 PolarHBondContact ND1-NE2 3.31Å; H256-Q361 PolarHBondContact O-NE2 3.14Å
257	L	97	Very high	93	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	37.9	170.1	-59.4	-179.8	0	0	0	111.6	Q245 L255 T333 T337 I339 L341 V364	Q245-L257 HydrophobicContact CB-CB 4.03Å; Q245-L257 HydrophobicContact CG-CB 3.79Å; Q245-L257 HydrophobicContact CG-CD1 4.06Å; Q245-L257 HydrophobicContact CG-CG 4.27Å; Q245-L257 PolarHBondContact O-N 3.37Å; L255-L257 HydrophobicContact CD1-CD2 3.49Å; L255-L257 VanDerWaalsContact CD1-CD2 3.49Å; L255-L257 HydrophobicContact CD1-CG 3.82Å; L257-T333 HydrophobicContact CB-CG2 3.5Å; L257-T333 VanDerWaalsContact CB-CG2 3.5Å; L257-T333 HydrophobicContact CD1-CG2 4.31Å; L257-T333 VanDerWaalsContact O-CG2 3.23Å; L257-T333 WeakPolarHBondContact O-CG2 3.37Å; L257-T337 HydrophobicContact CB-CG2 4.44Å; L257-I339 HydrophobicContact CD1-CG2 4.32Å; L257-I339 HydrophobicContact CD2-CD1 3.64Å; L257-L341 HydrophobicContact CD1-CD1 4.2Å; L257-L341 HydrophobicContact CD1-CD2 3.67Å; L257-L341 HydrophobicContact CD1-CG 3.84Å; L257-V364 HydrophobicContact CD2-CB 4.42Å; L257-V364 HydrophobicContact CD2-CG1 3.72Å; L257-V364 HydrophobicContact CD2-CG2 3.71Å
258	Y	96.9	Very high	92	Very high	47 Å²	47	29.9 Å²	29.9	18%	0.184	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	63.6	-179.3	-176	-74.8	-101.7	0	0	0	113.6	Q245 H256 L289 V364 P366	Q245-Y258 PolarHBondContact N-O 3.38Å; H256-Y258 AromaticContact CE1-CE2 3.98Å; H256-Y258 AromaticContact ND1-CD2 3.99Å; Y258-L289 HydrophobicContact CD1-CD1 4.23Å; Y258-L289 HydrophobicContact CE1-CD1 4.35Å; Y258-V364 HydrophobicContact CD2-CG1 3.95Å; Y258-V364 HydrophobicContact CE2-CG1 4.04Å; Y258-V364 WeakPolarHBondContact CE2-O 3.37Å; Y258-P366 HydrophobicContact CD1-CG 3.99Å; Y258-P366 HydrophobicContact CD2-CG 4.37Å; Y258-P366 HydrophobicContact CE1-CG 4.06Å; Y258-P366 HydrophobicContact CE2-CG 4.45Å; Y258-P366 HydrophobicContact CG-CG 4.15Å
259	E	97.4	Very high	91.2	Very high	2 Å²	2	34 Å²	34	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.2	-176.5	81.8	-60.3	156.4	0	0	113.7	I242 E243 V244 P276 A277 L280 R285	I242-E259 HydrophobicContact CG2-CB 3.82Å; I242-E259 HydrophobicContact CG2-CG 3.78Å; E243-E259 CarbonylContact O-C 3.46Å; E243-E259 WeakPolarHBondContact O-CA 3.4Å; E243-E259 WeakPolarHBondContact O-CB 3.47Å; V244-E259 HydrophobicContact CG2-CB 4.2Å; E259-P276 WeakPolarHBondContact OE1-CB 3.38Å; E259-A277 HydrophobicContact CG-CB 3.65Å; E259-A277 WeakPolarHBondContact OE1-CB 3.42Å; E259-A277 PolarHBondContact OE1-N 3Å; E259-L280 HydrophobicContact CG-CD2 3.94Å; E259-R285 IonicContact OE1-CZ 2.69Å; E259-R285 IonicContact OE1-NE 2.65Å; E259-R285 PolarHBondContact OE1-NE 2.87Å; E259-R285 IonicContact OE1-NH2 3.4Å; E259-R285 PolarHBondContact OE1-NH2 3.25Å; E259-R285 WeakPolarHBondContact OE2-CD 3.41Å; E259-R285 IonicContact OE2-NE 3.8Å; E259-R285 PolarHBondContact OE2-NE 2.85Å
260	R	98.1	Very high	91	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	147.1	166.5	-61.2	-178.3	-69.9	-96.5	-3.6	109.8	I242 E243 I274 A275 T306 E329 V332 T333	I242-R260 WeakPolarHBondContact CA-O 3.15Å; E243-R260 HydrophobicContact CG-CB 3.89Å; E243-R260 PolarHBondContact N-O 3.19Å; E243-R260 PolarHBondContact O-N 3.04Å; E243-R260 IonicContact OE1-CZ 3.11Å; E243-R260 VanDerWaalsContact OE1-CZ 3.23Å; E243-R260 IonicContact OE1-NE 2.64Å; E243-R260 PolarHBondContact OE1-NE 2.94Å; E243-R260 IonicContact OE1-NH2 2.68Å; E243-R260 PolarHBondContact OE1-NH2 3.09Å; R260-I274 CarbonylContact C-O 3.5Å; R260-I274 VanDerWaalsContact CA-O 3.24Å; R260-I274 WeakPolarHBondContact CA-O 3.42Å; R260-A275 HydrophobicContact CG-CB 4.21Å; R260-T306 PolarHBondContact NH2-OG1 3.02Å; R260-E329 WeakPolarHBondContact CD-O 3.41Å; R260-V332 VanDerWaalsContact CD-CG2 3.44Å; R260-V332 HydrophobicContact CG-CG2 3.95Å; R260-T333 WeakPolarHBondContact CD-OG1 3.3Å; R260-T333 PolarHBondContact NH1-OG1 2.96Å
261	D	96.4	Very high	91.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.1	165.6	-168	-38.7	0	0	0	109.1	R240 I242 S263 E273 I274 A277	R240-D261 IonicContact CZ-OD2 3.14Å; R240-D261 IonicContact NE-OD2 3.59Å; R240-D261 PolarHBondContact NE-OD2 3.47Å; R240-D261 IonicContact NH2-OD2 2.76Å; R240-D261 PolarHBondContact NH2-OD2 2.9Å; I242-D261 HydrophobicContact CD1-CB 3.85Å; I242-D261 WeakPolarHBondContact CD1-OD2 3.33Å; D261-S263 WeakPolarHBondContact OD1-CB 3.28Å; D261-S263 PolarHBondContact OD1-N 2.82Å; D261-S263 PolarHBondContact OD1-OG 3.06Å; D261-E273 WeakPolarHBondContact O-CA 3.47Å; D261-I274 HydrophobicContact CB-CB 4.38Å; D261-I274 PolarHBondContact N-O 3.46Å; D261-I274 PolarHBondContact O-N 2.94Å; D261-A277 HydrophobicContact CB-CB 3.95Å
262	C	96.1	Very high	91.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	29.7	178.4	-56.6	0	0	0	0	110.9	H241 E243 V264 Q265 K270 E273	H241-C262 PolarHBondContact O-N 2.71Å; E243-C262 PolarHBondContact OE1-SG 3.11Å; C262-V264 VanDerWaalsContact C-N 3.29Å; C262-V264 PolarHBondContact O-N 2.9Å; C262-Q265 WeakPolarHBondContact O-CG 3.49Å; C262-Q265 PolarHBondContact O-NE2 2.9Å; C262-K270 HydrophobicContact CB-CD 3.71Å; C262-K270 HydrophobicContact CB-CG 3.98Å; C262-E273 HydrophobicContact CB-CG 4.28Å
263	S	94.8	Very high	91.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-21.1	-177.3	-51.8	0	0	0	0	113.7	R240 H241 D261 Q265 T475	R240-S263 VanDerWaalsContact CA-OG 3.23Å; R240-S263 WeakPolarHBondContact CA-OG 3.38Å; R240-S263 WeakPolarHBondContact CB-OG 3.47Å; H241-S263 PolarHBondContact N-OG 2.73Å; D261-S263 WeakPolarHBondContact OD1-CB 3.28Å; D261-S263 PolarHBondContact OD1-N 2.82Å; D261-S263 PolarHBondContact OD1-OG 3.06Å; S263-Q265 VanDerWaalsContact C-N 3.34Å; S263-Q265 PolarHBondContact O-N 3.38Å; S263-T475 WeakPolarHBondContact O-CA 3.31Å
264	V	94	Very high	92.1	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	88.8	177.9	-179.7	0	0	0	0	109.8	C262 I271 V272 V462 F468 V473 F477 I478	C262-V264 VanDerWaalsContact C-N 3.29Å; C262-V264 PolarHBondContact O-N 2.9Å; V264-I271 PolarHBondContact O-N 3.44Å; V264-V272 HydrophobicContact CB-CB 4.01Å; V264-V272 HydrophobicContact CG1-CB 3.95Å; V264-V272 HydrophobicContact CG1-CG2 4.02Å; V264-V462 HydrophobicContact CG1-CG1 4.14Å; V264-F468 HydrophobicContact CG2-CD2 3.88Å; V264-F468 HydrophobicContact CG2-CE2 3.81Å; V264-V473 HydrophobicContact CG2-CB 4.4Å; V264-V473 HydrophobicContact CG2-CG1 4.45Å; V264-V473 HydrophobicContact CG2-CG2 4.29Å; V264-F477 HydrophobicContact CG1-CD1 4.26Å; V264-F477 HydrophobicContact CG1-CE1 4.38Å; V264-F477 HydrophobicContact CG2-CD1 4.19Å; V264-I478 HydrophobicContact CG1-CD1 3.72Å; V264-I478 HydrophobicContact CG1-CG1 4.35Å
265	Q	90.4	Very high	92.2	Very high	10 Å²	10	23 Å²	23	5%	0.047	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148	-174	-57.5	-176.3	3.6	0	0	111.9	H241 C262 S263 Q269 K270 I478	H241-Q265 VanDerWaalsContact CG-NE2 3.34Å; H241-Q265 PolarHBondContact ND1-NE2 2.93Å; C262-Q265 WeakPolarHBondContact O-CG 3.49Å; C262-Q265 PolarHBondContact O-NE2 2.9Å; S263-Q265 VanDerWaalsContact C-N 3.34Å; S263-Q265 PolarHBondContact O-N 3.38Å; Q265-Q269 CarbonylContact C-O 3.55Å; Q265-Q269 WeakPolarHBondContact CA-O 3.36Å; Q265-Q269 WeakPolarHBondContact CB-O 3.23Å; Q265-K270 HydrophobicContact CG-CG 4.48Å; Q265-I478 WeakPolarHBondContact O-CD1 3.47Å
266	R	82.2	Confident	92.3	Very high	25 Å²	25	24 Å²	24	9%	0.094	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	122.1	165.6	-174.3	-172.6	72.8	123.5	-7.6	107.6	H268 Q269 I271 E378 N383 F384 I478	R266-H268 PolarHBondContact O-N 3.25Å; R266-Q269 PolarHBondContact N-O 3.41Å; R266-Q269 WeakPolarHBondContact O-CB 3.28Å; R266-Q269 PolarHBondContact O-N 3.2Å; R266-I271 HydrophobicContact CB-CD1 3.6Å; R266-E378 IonicContact NH2-OE1 2.79Å; R266-E378 PolarHBondContact NH2-OE1 3.49Å; R266-N383 PolarHBondContact NH1-O 3.48Å; R266-N383 VanDerWaalsContact NH1-O 3.13Å; R266-F384 VanDerWaalsContact CZ-CB 3.47Å; R266-F384 VanDerWaalsContact NH2-CB 3.29Å; R266-I478 HydrophobicContact CB-CD1 4.45Å; R266-I478 HydrophobicContact CB-CG2 4.45Å; R266-I478 HydrophobicContact CG-CG2 4.43Å
267	R	76.6	Confident	92.2	Very high	157 Å²	157	23.8 Å²	23.8	59%	0.592	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	45.9	-178.5	-57.8	176.5	179.2	-163.6	-2.8	112.8	Q269	R267-Q269 PolarHBondContact O-N 2.88Å
268	H	76	Confident	91.9	Very high	88 Å²	88	24.5 Å²	24.5	41%	0.407	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	17.3	-177.1	-46.3	-58.5	0	0	0	116.3	M201 R266	M201-H268 HydrophobicContact CE-CB 4.47Å; M201-H268 HydrophobicContact SD-CB 4.3Å; R266-H268 PolarHBondContact O-N 3.25Å
269	Q	77.8	Confident	91.6	Very high	87 Å²	87	28.3 Å²	28.3	41%	0.407	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.4	170.8	-59.7	-170.9	-38.8	0	0	110.7	Q265 R266 R267	Q265-Q269 CarbonylContact C-O 3.55Å; Q265-Q269 WeakPolarHBondContact CA-O 3.36Å; Q265-Q269 WeakPolarHBondContact CB-O 3.23Å; R266-Q269 PolarHBondContact N-O 3.41Å; R266-Q269 WeakPolarHBondContact O-CB 3.28Å; R266-Q269 PolarHBondContact O-N 3.2Å; R267-Q269 PolarHBondContact O-N 2.88Å
270	K	90.3	Very high	91.2	Very high	34 Å²	34	28.9 Å²	28.9	15%	0.148	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	132.2	179.2	-57.2	173.7	-176.5	177.2	0	111.1	H241 E243 C262 Q265 E308 E329	H241-K270 VanDerWaalsContact NE2-CE 3.33Å; H241-K270 WeakPolarHBondContact NE2-CE 3.06Å; E243-K270 IonicContact OE1-NZ 3.81Å; E243-K270 IonicContact OE2-NZ 3.12Å; E243-K270 PolarHBondContact OE2-NZ 3.49Å; C262-K270 HydrophobicContact CB-CD 3.71Å; C262-K270 HydrophobicContact CB-CG 3.98Å; Q265-K270 HydrophobicContact CG-CG 4.48Å; K270-E308 IonicContact NZ-OE1 3.84Å; K270-E308 PolarHBondContact NZ-OE1 2.91Å; K270-E329 WeakPolarHBondContact CD-OE1 3.46Å; K270-E329 WeakPolarHBondContact CE-OE1 3.45Å; K270-E329 IonicContact NZ-OE1 2.75Å; K270-E329 PolarHBondContact NZ-OE1 3.47Å
271	I	90.9	Very high	90.9	Very high	17 Å²	17	36 Å²	36	9%	0.087	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-40.8	179.8	-61.4	-174.2	0	0	0	112.5	V264 R266 F458 L459 I478	V264-I271 PolarHBondContact O-N 3.44Å; R266-I271 HydrophobicContact CB-CD1 3.6Å; I271-F458 HydrophobicContact CD1-CE1 4.05Å; I271-F458 HydrophobicContact CG2-CE1 4.39Å; I271-L459 HydrophobicContact CG2-CD2 3.74Å; I271-I478 HydrophobicContact CD1-CD1 4.17Å
272	V	96.2	Very high	90.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.1	178.3	-176.8	0	0	0	0	108	V264 I371 Q372 L459 V462 F468	V264-V272 HydrophobicContact CB-CB 4.01Å; V264-V272 HydrophobicContact CG1-CB 3.95Å; V264-V272 HydrophobicContact CG1-CG2 4.02Å; V272-I371 HydrophobicContact CG1-CG2 3.67Å; V272-Q372 WeakPolarHBondContact CA-O 3.31Å; V272-Q372 WeakPolarHBondContact CG1-O 3.22Å; V272-L459 HydrophobicContact CG2-CD2 4.08Å; V272-V462 HydrophobicContact CG2-CG1 4.19Å; V272-F468 HydrophobicContact CG1-CE2 3.96Å; V272-F468 HydrophobicContact CG1-CZ 3.88Å
273	E	97.4	Very high	90.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141	-178.8	-51.9	88.1	-156.7	0	0	110.3	D261 C262 E329 I371 Q372 R374	D261-E273 WeakPolarHBondContact O-CA 3.47Å; C262-E273 HydrophobicContact CB-CG 4.28Å; E273-E329 HydrophobicContact CB-CB 3.85Å; E273-E329 HydrophobicContact CG-CB 3.64Å; E273-E329 HydrophobicContact CG-CG 4.13Å; E273-I371 CarbonylContact O-C 3.54Å; E273-I371 WeakPolarHBondContact O-CA 3.38Å; E273-Q372 PolarHBondContact N-O 3.39Å; E273-Q372 PolarHBondContact O-N 3.01Å; E273-Q372 WeakPolarHBondContact OE2-CG 3.45Å; E273-Q372 PolarHBondContact OE2-NE2 3.2Å; E273-R374 VanDerWaalsContact CD-NH2 3.27Å; E273-R374 IonicContact OE1-CZ 3.24Å; E273-R374 IonicContact OE1-NE 3.02Å; E273-R374 PolarHBondContact OE1-NE 3.17Å; E273-R374 IonicContact OE1-NH2 2.64Å; E273-R374 PolarHBondContact OE1-NH2 2.72Å; E273-R374 IonicContact OE2-NE 3.42Å; E273-R374 IonicContact OE2-NH2 2.65Å
274	I	97.8	Very high	90.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.5	-171.4	-48.3	165.1	0	0	0	109.6	R260 D261 P278 A370 I371 Y433 F468	R260-I274 CarbonylContact C-O 3.5Å; R260-I274 VanDerWaalsContact CA-O 3.24Å; R260-I274 WeakPolarHBondContact CA-O 3.42Å; D261-I274 HydrophobicContact CB-CB 4.38Å; D261-I274 PolarHBondContact N-O 3.46Å; D261-I274 PolarHBondContact O-N 2.94Å; I274-P278 HydrophobicContact CD1-CG 4.29Å; I274-P278 HydrophobicContact CG2-CG 4.27Å; I274-A370 CarbonylContact C-O 3.56Å; I274-A370 WeakPolarHBondContact CA-O 3.33Å; I274-I371 HydrophobicContact CG1-CG1 4.37Å; I274-I371 HydrophobicContact CG2-CG1 4.23Å; I274-Y433 HydrophobicContact CD1-CE2 3.93Å; I274-Y433 HydrophobicContact CG1-CE2 4.4Å; I274-Y433 HydrophobicContact CG2-CD2 4.09Å; I274-Y433 HydrophobicContact CG2-CE2 3.77Å; I274-F468 HydrophobicContact CD1-CE2 3.95Å; I274-F468 HydrophobicContact CD1-CZ 3.98Å; I274-F468 HydrophobicContact CG1-CZ 4.42Å
275	A	97.4	Very high	90.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.6	168.3	0	0	0	0	0	111.6	R260 V332 V336 S369 A370	R260-A275 HydrophobicContact CG-CB 4.21Å; A275-V332 HydrophobicContact CB-CB 3.74Å; A275-V332 HydrophobicContact CB-CG2 3.79Å; A275-V332 WeakPolarHBondContact CB-O 3.48Å; A275-V336 HydrophobicContact CB-CG1 4.22Å; A275-V336 HydrophobicContact CB-CG2 3.96Å; A275-S369 CarbonylContact O-C 3.52Å; A275-S369 WeakPolarHBondContact O-CA 3.19Å; A275-S369 WeakPolarHBondContact O-CB 3.42Å; A275-S369 PolarHBondContact O-OG 2.94Å; A275-A370 PolarHBondContact N-O 3.25Å; A275-A370 PolarHBondContact O-N 3.13Å
276	P	96.7	Very high	90.8	Very high	26 Å²	26	52.1 Å²	52.1	17%	0.169	25%	0.252	C	S	.	.	S	Bend	cis	-61	173.4	-29.8	32.4	-35.7	0	0	0	110.5	E259 P278 P366 G368	E259-P276 WeakPolarHBondContact OE1-CB 3.38Å; P276-P278 WeakPolarHBondContact O-CD 3.39Å; P276-P366 HydrophobicContact CB-CB 4.49Å; P276-P366 HydrophobicContact CG-CB 4.28Å; P276-P366 HydrophobicContact CG-CG 4.49Å; P276-G368 WeakPolarHBondContact CD-O 3.45Å
277	A	95.4	Very high	91.4	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-65.6	118.3	179.9	0	0	0	0	0	111.7	I242 E259 D261 L280 R285	I242-A277 HydrophobicContact CD1-CB 3.96Å; E259-A277 HydrophobicContact CG-CB 3.65Å; E259-A277 WeakPolarHBondContact OE1-CB 3.42Å; E259-A277 PolarHBondContact OE1-N 3Å; D261-A277 HydrophobicContact CB-CB 3.95Å; A277-L280 HydrophobicContact CB-CB 4.16Å; A277-L280 HydrophobicContact CB-CD2 3.87Å; A277-L280 WeakPolarHBondContact O-CB 3.45Å; A277-R285 PolarHBondContact O-NH2 3.27Å
278	P	91.8	Very high	92.3	Very high	16 Å²	16	49.5 Å²	49.5	10%	0.104	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	152.6	-174.8	30.3	-35.5	0	0	0	111.8	R240 I274 P276 L280 Y433 S471	R240-P278 PolarHBondContact NH1-O 2.96Å; R240-P278 VanDerWaalsContact NH1-O 3.11Å; R240-P278 PolarHBondContact NH2-O 2.92Å; I274-P278 HydrophobicContact CD1-CG 4.29Å; I274-P278 HydrophobicContact CG2-CG 4.27Å; P276-P278 WeakPolarHBondContact O-CD 3.39Å; P278-L280 PolarHBondContact O-N 2.59Å; P278-Y433 HydrophobicContact CB-CD1 4.44Å; P278-Y433 HydrophobicContact CB-CD2 4.45Å; P278-Y433 HydrophobicContact CB-CG 4.38Å; P278-Y433 HydrophobicContact CG-CD2 4.49Å; P278-Y433 HydrophobicContact CG-CE2 4.17Å; P278-S471 WeakPolarHBondContact CB-OG 3.38Å
279	N	88.9	Confident	93.3	Very high	128 Å²	128	45.3 Å²	45.3	68%	0.684	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	19.9	-177	-68.7	-9.3	0	0	0	115.8	D470	N279-D470 PolarHBondContact ND2-O 2.98Å
280	L	90.5	Very high	94.1	Very high	14 Å²	14	44.4 Å²	44.4	7%	0.073	22%	0.224	C	C	.	.			trans	-84.8	123.9	173.9	179.5	64.5	0	0	0	110.9	E259 A277 P278 I284 R285 M288 L311	E259-L280 HydrophobicContact CG-CD2 3.94Å; A277-L280 HydrophobicContact CB-CB 4.16Å; A277-L280 HydrophobicContact CB-CD2 3.87Å; A277-L280 WeakPolarHBondContact O-CB 3.45Å; P278-L280 PolarHBondContact O-N 2.59Å; L280-I284 HydrophobicContact CD1-CB 4.18Å; L280-I284 HydrophobicContact CD1-CG2 3.97Å; L280-R285 HydrophobicContact CD2-CB 3.8Å; L280-R285 HydrophobicContact CD2-CG 4.38Å; L280-R285 HydrophobicContact CG-CB 4.1Å; L280-R285 PolarHBondContact O-NH1 3.15Å; L280-M288 HydrophobicContact CD1-CE 3.98Å; L280-M288 HydrophobicContact CD2-CE 3.59Å; L280-M288 HydrophobicContact CG-CE 4.38Å; L280-L311 HydrophobicContact CD1-CD2 3.56Å
281	K	91.2	Very high	94.4	Very high	149 Å²	149	43.4 Å²	43.4	65%	0.648	22%	0.221	S	C	*	.			trans	-60.5	139.9	177.5	-63.5	-179.6	-178.3	173.1	0	111.3	D283 I284 R285	K281-D283 VanDerWaalsContact C-N 3.26Å; K281-D283 PolarHBondContact O-N 2.82Å; K281-I284 HydrophobicContact CB-CD1 4.08Å; K281-I284 HydrophobicContact CB-CG1 4.2Å; K281-I284 HydrophobicContact CD-CD1 4.02Å; K281-I284 HydrophobicContact CG-CD1 4.38Å; K281-I284 PolarHBondContact O-N 3.12Å; K281-R285 PolarHBondContact O-N 3.44Å
282	S	91.5	Very high	94.7	Very high	78 Å²	78	42.6 Å²	42.6	55%	0.545	22%	0.217	S	C	.	.	H	α-helix	trans	-46	-48.2	176.9	40.7	0	0	0	0	113.2	I284 R285 Q286	S282-I284 VanDerWaalsContact C-N 3.34Å; S282-I284 PolarHBondContact O-N 3.09Å; S282-R285 WeakPolarHBondContact O-CB 3.27Å; S282-R285 PolarHBondContact O-N 2.79Å; S282-Q286 PolarHBondContact O-N 2.69Å
283	D	93.8	Very high	94.6	Very high	111 Å²	111	44.5 Å²	44.5	59%	0.594	23%	0.227	S	C	*	.	H	α-helix	trans	-76.7	-27	-167.9	-41.3	-8.3	0	0	0	111.6	K281 K287	K281-D283 VanDerWaalsContact C-N 3.26Å; K281-D283 PolarHBondContact O-N 2.82Å; D283-K287 WeakPolarHBondContact O-CD 3.41Å; D283-K287 VanDerWaalsContact O-CG 3.26Å; D283-K287 WeakPolarHBondContact O-CG 3.44Å; D283-K287 PolarHBondContact O-N 3.49Å
284	I	94	Very high	94.5	Very high	28 Å²	28	49.2 Å²	49.2	14%	0.144	25%	0.245	C	C	.	.	H	α-helix	trans	-78.7	-44.5	174	-57	175.3	0	0	0	109.1	L280 K281 S282 Q286 K287 M288 L311	L280-I284 HydrophobicContact CD1-CB 4.18Å; L280-I284 HydrophobicContact CD1-CG2 3.97Å; K281-I284 HydrophobicContact CB-CD1 4.08Å; K281-I284 HydrophobicContact CB-CG1 4.2Å; K281-I284 HydrophobicContact CD-CD1 4.02Å; K281-I284 HydrophobicContact CG-CD1 4.38Å; K281-I284 PolarHBondContact O-N 3.12Å; S282-I284 VanDerWaalsContact C-N 3.34Å; S282-I284 PolarHBondContact O-N 3.09Å; I284-Q286 PolarHBondContact O-N 3.16Å; I284-K287 PolarHBondContact O-N 3.16Å; I284-M288 HydrophobicContact CG2-CE 4.14Å; I284-M288 HydrophobicContact CG2-SD 4.49Å; I284-M288 PolarHBondContact O-N 3.37Å; I284-M288 VanDerWaalsContact O-N 3.08Å; I284-L311 HydrophobicContact CG2-CD1 3.71Å; I284-L311 HydrophobicContact CG2-CD2 4.3Å
285	R	95.6	Very high	94.4	Very high	46 Å²	46	49.2 Å²	49.2	17%	0.174	25%	0.245	C	C	.	.	H	α-helix	trans	-51.9	-55.2	171.5	173.5	-179.6	-77	105.1	0.4	110.5	E259 A277 L280 K281 S282 K287 M288 L289	E259-R285 IonicContact OE1-CZ 2.69Å; E259-R285 IonicContact OE1-NE 2.65Å; E259-R285 PolarHBondContact OE1-NE 2.87Å; E259-R285 IonicContact OE1-NH2 3.4Å; E259-R285 PolarHBondContact OE1-NH2 3.25Å; E259-R285 WeakPolarHBondContact OE2-CD 3.41Å; E259-R285 IonicContact OE2-NE 3.8Å; E259-R285 PolarHBondContact OE2-NE 2.85Å; A277-R285 PolarHBondContact O-NH2 3.27Å; L280-R285 HydrophobicContact CD2-CB 3.8Å; L280-R285 HydrophobicContact CD2-CG 4.38Å; L280-R285 HydrophobicContact CG-CB 4.1Å; L280-R285 PolarHBondContact O-NH1 3.15Å; K281-R285 PolarHBondContact O-N 3.44Å; S282-R285 WeakPolarHBondContact O-CB 3.27Å; S282-R285 PolarHBondContact O-N 2.79Å; R285-K287 VanDerWaalsContact C-N 3.34Å; R285-K287 PolarHBondContact O-N 2.92Å; R285-M288 PolarHBondContact O-N 2.82Å; R285-L289 HydrophobicContact CG-CD1 3.61Å; R285-L289 HydrophobicContact CG-CG 4.23Å; R285-L289 VanDerWaalsContact O-CG 3.25Å; R285-L289 WeakPolarHBondContact O-CG 3.46Å; R285-L289 PolarHBondContact O-N 2.96Å
286	Q	94.8	Very high	94.2	Very high	87 Å²	87	49.3 Å²	49.3	41%	0.407	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-41.4	-176.3	-166.1	60.9	50.5	0	0	112.2	S282 I284 M288 L289 D290	S282-Q286 PolarHBondContact O-N 2.69Å; I284-Q286 PolarHBondContact O-N 3.16Å; Q286-M288 PolarHBondContact O-N 2.73Å; Q286-L289 PolarHBondContact O-N 3.37Å; Q286-D290 PolarHBondContact NE2-OD1 2.83Å; Q286-D290 WeakPolarHBondContact O-CB 3.48Å; Q286-D290 PolarHBondContact O-N 2.77Å
287	K	94.7	Very high	94.1	Very high	126 Å²	126	55.4 Å²	55.4	55%	0.548	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-45.2	175.5	-74.5	172.6	-178.6	-178.1	0	113.1	D283 I284 R285 L289 D290 D291	D283-K287 WeakPolarHBondContact O-CD 3.41Å; D283-K287 VanDerWaalsContact O-CG 3.26Å; D283-K287 WeakPolarHBondContact O-CG 3.44Å; D283-K287 PolarHBondContact O-N 3.49Å; I284-K287 PolarHBondContact O-N 3.16Å; R285-K287 VanDerWaalsContact C-N 3.34Å; R285-K287 PolarHBondContact O-N 2.92Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 2.75Å; K287-D290 PolarHBondContact O-N 2.82Å; K287-D291 VanDerWaalsContact O-CB 3.27Å; K287-D291 WeakPolarHBondContact O-CB 3.48Å; K287-D291 PolarHBondContact O-N 2.84Å
288	M	95.6	Very high	94	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-38.5	177.3	-68.6	-175.5	-57.1	0	0	111.9	I242 L280 I284 R285 Q286 A292 F309 L311 H317	I242-M288 HydrophobicContact CB-CE 4.35Å; I242-M288 HydrophobicContact CB-SD 4.28Å; I242-M288 HydrophobicContact CG2-CE 3.74Å; I242-M288 HydrophobicContact CG2-SD 4.16Å; L280-M288 HydrophobicContact CD1-CE 3.98Å; L280-M288 HydrophobicContact CD2-CE 3.59Å; L280-M288 HydrophobicContact CG-CE 4.38Å; I284-M288 HydrophobicContact CG2-CE 4.14Å; I284-M288 HydrophobicContact CG2-SD 4.49Å; I284-M288 PolarHBondContact O-N 3.37Å; I284-M288 VanDerWaalsContact O-N 3.08Å; R285-M288 PolarHBondContact O-N 2.82Å; Q286-M288 PolarHBondContact O-N 2.73Å; M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.41Å; M288-A292 PolarHBondContact O-N 2.86Å; M288-F309 HydrophobicContact CB-CE2 4.47Å; M288-L311 HydrophobicContact CE-CD2 4.45Å; M288-H317 HydrophobicContact CG-CB 3.76Å; M288-H317 VanDerWaalsContact CG-CG 3.47Å; M288-H317 HydrophobicContact SD-CB 3.77Å
289	L	96.4	Very high	94	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66	-45.4	175.7	-65.6	173.9	0	0	0	111.9	V244 H256 Y258 R285 Q286 K287 A292 L293	V244-L289 HydrophobicContact CB-CD2 4.42Å; V244-L289 HydrophobicContact CG1-CD2 3.63Å; V244-L289 HydrophobicContact CG2-CD2 3.9Å; H256-L289 HydrophobicContact CB-CD2 4.14Å; Y258-L289 HydrophobicContact CD1-CD1 4.23Å; Y258-L289 HydrophobicContact CE1-CD1 4.35Å; R285-L289 HydrophobicContact CG-CD1 3.61Å; R285-L289 HydrophobicContact CG-CG 4.23Å; R285-L289 VanDerWaalsContact O-CG 3.25Å; R285-L289 WeakPolarHBondContact O-CG 3.46Å; R285-L289 PolarHBondContact O-N 2.96Å; Q286-L289 PolarHBondContact O-N 3.37Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-L289 PolarHBondContact O-N 2.75Å; L289-A292 PolarHBondContact O-N 2.95Å; L289-L293 WeakPolarHBondContact O-CG 3.46Å; L289-L293 PolarHBondContact O-N 2.74Å
290	D	96.1	Very high	94.1	Very high	68 Å²	68	55.6 Å²	55.6	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-64.9	-39.8	177.6	-68.5	-15.6	0	0	0	111.9	Q286 K287 R294	Q286-D290 PolarHBondContact NE2-OD1 2.83Å; Q286-D290 WeakPolarHBondContact O-CB 3.48Å; Q286-D290 PolarHBondContact O-N 2.77Å; K287-D290 PolarHBondContact O-N 2.82Å; D290-R294 WeakPolarHBondContact O-CB 3.45Å; D290-R294 PolarHBondContact O-N 2.9Å
291	D	96.3	Very high	94.3	Very high	14 Å²	14	55.1 Å²	55.1	8%	0.075	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-43.2	176.5	-77.4	9.2	0	0	0	111.5	V161 K287 L293 R294 L295 F309 H317	V161-D291 HydrophobicContact CG1-CB 4.02Å; V161-D291 HydrophobicContact CG2-CB 3.93Å; V161-D291 WeakPolarHBondContact CG2-O 3.2Å; K287-D291 VanDerWaalsContact O-CB 3.27Å; K287-D291 WeakPolarHBondContact O-CB 3.48Å; K287-D291 PolarHBondContact O-N 2.84Å; D291-L293 PolarHBondContact O-N 2.95Å; D291-R294 PolarHBondContact O-N 3.28Å; D291-R294 IonicContact OD1-CZ 2.87Å; D291-R294 IonicContact OD1-NH1 3.03Å; D291-R294 PolarHBondContact OD1-NH1 3.05Å; D291-R294 IonicContact OD1-NH2 3.88Å; D291-R294 PolarHBondContact OD1-NH2 3.24Å; D291-L295 PolarHBondContact O-N 3.36Å; D291-F309 HydrophobicContact CB-CE1 4.41Å; D291-F309 HydrophobicContact CB-CZ 4.32Å; D291-H317 IonicContact OD2-CD2 2.69Å; D291-H317 IonicContact OD2-CE1 3.87Å; D291-H317 IonicContact OD2-NE2 2.69Å; D291-H317 PolarHBondContact OD2-NE2 3.06Å
292	A	96	Very high	94.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.6	-44.2	175	0	0	0	0	0	111.9	V244 I246 M288 L289 A296 V307 F309	V244-A292 HydrophobicContact CB-CB 3.72Å; V244-A292 HydrophobicContact CG1-CB 3.67Å; V244-A292 HydrophobicContact CG2-CB 4.09Å; I246-A292 HydrophobicContact CG2-CB 4.42Å; M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.41Å; M288-A292 PolarHBondContact O-N 2.86Å; L289-A292 PolarHBondContact O-N 2.95Å; A292-A296 VanDerWaalsContact O-CB 3.25Å; A292-A296 WeakPolarHBondContact O-CB 3.31Å; A292-A296 PolarHBondContact O-N 2.86Å; A292-V307 HydrophobicContact CB-CB 3.97Å; A292-V307 HydrophobicContact CB-CG1 4.26Å; A292-V307 HydrophobicContact CB-CG2 3.94Å; A292-F309 HydrophobicContact CB-CE2 4.1Å; A292-F309 HydrophobicContact CB-CZ 4.11Å
293	L	95.7	Very high	94.6	Very high	40 Å²	40	46.7 Å²	46.7	21%	0.209	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-39.8	173.5	-73.7	-178.6	0	0	0	112.3	I254 H256 L289 D291 K297	I254-L293 HydrophobicContact CB-CD2 4.47Å; I254-L293 HydrophobicContact CG2-CD2 3.88Å; H256-L293 HydrophobicContact CB-CD2 4.38Å; L289-L293 WeakPolarHBondContact O-CG 3.46Å; L289-L293 PolarHBondContact O-N 2.74Å; D291-L293 PolarHBondContact O-N 2.95Å; L293-K297 VanDerWaalsContact O-CB 3.22Å; L293-K297 WeakPolarHBondContact O-CB 3.46Å; L293-K297 PolarHBondContact O-N 3.39Å
294	R	95.2	Very high	94.7	Very high	99 Å²	99	41.4 Å²	41.4	37%	0.374	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-47	179.6	-162.6	-176.8	-50.1	118.9	24.6	111.6	A159 G160 D290 D291 K297 H298	A159-R294 WeakPolarHBondContact O-CD 3.42Å; A159-R294 WeakPolarHBondContact O-CG 3.13Å; G160-R294 PolarHBondContact O-NH1 3.12Å; D290-R294 WeakPolarHBondContact O-CB 3.45Å; D290-R294 PolarHBondContact O-N 2.9Å; D291-R294 PolarHBondContact O-N 3.28Å; D291-R294 IonicContact OD1-CZ 2.87Å; D291-R294 IonicContact OD1-NH1 3.03Å; D291-R294 PolarHBondContact OD1-NH1 3.05Å; D291-R294 IonicContact OD1-NH2 3.88Å; D291-R294 PolarHBondContact OD1-NH2 3.24Å; R294-K297 PolarHBondContact O-N 3.14Å; R294-H298 WeakPolarHBondContact O-CB 3.38Å; R294-H298 PolarHBondContact O-N 3.3Å
295	L	95	Very high	94.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-60.9	-51.4	174.2	174.3	53.9	0	0	0	111.4	M146 A155 A156 A159 V161 D291 K297 H298 V299 V307 F319 V322	M146-L295 HydrophobicContact CE-CD1 4.1Å; M146-L295 HydrophobicContact CE-CD2 4.31Å; M146-L295 HydrophobicContact CE-CG 4.43Å; A155-L295 HydrophobicContact CB-CD1 4.42Å; A156-L295 HydrophobicContact CB-CD1 4.36Å; A156-L295 HydrophobicContact CB-CD2 4.31Å; A159-L295 HydrophobicContact CB-CD1 4.31Å; V161-L295 HydrophobicContact CG2-CB 4.26Å; D291-L295 PolarHBondContact O-N 3.36Å; L295-K297 PolarHBondContact O-N 2.84Å; L295-H298 PolarHBondContact O-N 2.95Å; L295-V299 HydrophobicContact CD1-CG1 4.03Å; L295-V299 PolarHBondContact O-N 3.14Å; L295-V299 VanDerWaalsContact O-N 3.12Å; L295-V307 HydrophobicContact CD2-CG1 4.09Å; L295-F319 HydrophobicContact CD2-CD2 3.84Å; L295-F319 HydrophobicContact CD2-CE2 3.56Å; L295-F319 HydrophobicContact CD2-CG 4.48Å; L295-F319 HydrophobicContact CD2-CZ 3.99Å; L295-V322 HydrophobicContact CD2-CG2 3.84Å
296	A	94.2	Very high	94.8	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-40.3	179.3	0	0	0	0	0	112	I246 I254 A292 G300 Y301	I246-A296 HydrophobicContact CD1-CB 3.68Å; I254-A296 VanDerWaalsContact CD1-C 3.44Å; I254-A296 HydrophobicContact CD1-CB 3.9Å; I254-A296 WeakPolarHBondContact CD1-O 3.3Å; I254-A296 HydrophobicContact CG2-CB 3.99Å; A292-A296 VanDerWaalsContact O-CB 3.25Å; A292-A296 WeakPolarHBondContact O-CB 3.31Å; A292-A296 PolarHBondContact O-N 2.86Å; A296-G300 PolarHBondContact O-N 3.5Å; A296-Y301 VanDerWaalsContact O-CB 3.31Å; A296-Y301 WeakPolarHBondContact O-CB 3.48Å; A296-Y301 PolarHBondContact O-N 3.14Å
297	K	93.9	Very high	94.8	Very high	155 Å²	155	33.8 Å²	33.8	67%	0.674	17%	0.165	S	C	*	.	H	α-helix	trans	-72.9	-37.3	178.6	-165.6	171.9	-173.8	175.4	0	113.2	I254 L293 R294 L295 V299 G300	I254-K297 HydrophobicContact CD1-CB 4.2Å; L293-K297 VanDerWaalsContact O-CB 3.22Å; L293-K297 WeakPolarHBondContact O-CB 3.46Å; L293-K297 PolarHBondContact O-N 3.39Å; R294-K297 PolarHBondContact O-N 3.14Å; L295-K297 PolarHBondContact O-N 2.84Å; K297-V299 VanDerWaalsContact C-N 3.32Å; K297-V299 PolarHBondContact O-N 2.95Å; K297-G300 PolarHBondContact O-N 3.11Å
298	H	93	Very high	94.9	Very high	91 Å²	91	28.3 Å²	28.3	42%	0.421	14%	0.142	S	C	.	.	H	α-helix	trans	-63.3	-35.2	175.6	179.4	71.7	0	0	0	113	R145 A155 E158 A159 R294 L295	R145-H298 PolarHBondContact NH2-NE2 2.8Å; A155-H298 PolarHBondContact O-CD2 2.82Å; E158-H298 WeakPolarHBondContact CB-NE2 3.46Å; E158-H298 WeakPolarHBondContact CG-NE2 3.43Å; E158-H298 IonicContact OE2-NE2 3.68Å; E158-H298 PolarHBondContact OE2-NE2 2.71Å; A159-H298 HydrophobicContact CB-CB 3.69Å; R294-H298 WeakPolarHBondContact O-CB 3.38Å; R294-H298 PolarHBondContact O-N 3.3Å; L295-H298 PolarHBondContact O-N 2.95Å
299	V	92	Very high	94.9	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.097	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-3.7	179.5	-52.6	0	0	0	0	113.8	M146 A155 L295 K297 Y301	M146-V299 HydrophobicContact SD-CB 4.28Å; M146-V299 HydrophobicContact SD-CG1 3.76Å; M146-V299 HydrophobicContact SD-CG2 4.29Å; A155-V299 HydrophobicContact CB-CG1 3.98Å; L295-V299 HydrophobicContact CD1-CG1 4.03Å; L295-V299 PolarHBondContact O-N 3.14Å; L295-V299 VanDerWaalsContact O-N 3.12Å; K297-V299 VanDerWaalsContact C-N 3.32Å; K297-V299 PolarHBondContact O-N 2.95Å; V299-Y301 HydrophobicContact CG2-CD2 4.34Å
300	G	91.5	Very high	94.7	Very high	42 Å²	42	29.4 Å²	29.4	43%	0.433	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	41.9	-176.4	0	0	0	0	0	112.6	A296 K297	A296-G300 PolarHBondContact O-N 3.5Å; K297-G300 PolarHBondContact O-N 3.11Å
301	Y	94.4	Very high	94.6	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.012	13%	0.133	C	C	.	.			trans	-61.8	138.4	-174.5	-161.5	-80.7	0	0	0	112.1	P138 V142 I246 A296 V299 A304 G305 V322 A324	P138-Y301 HydrophobicContact CB-CE2 4.46Å; P138-Y301 HydrophobicContact CG-CE1 4.06Å; P138-Y301 HydrophobicContact CG-CE2 4.03Å; P138-Y301 VanDerWaalsContact CG-CZ 3.5Å; P138-Y301 WeakPolarHBondContact CG-OH 3.42Å; V142-Y301 HydrophobicContact CG1-CD2 3.63Å; V142-Y301 HydrophobicContact CG1-CE2 3.92Å; V142-Y301 HydrophobicContact CG1-CG 4.44Å; I246-Y301 HydrophobicContact CD1-CD1 3.69Å; I246-Y301 HydrophobicContact CD1-CD2 4.1Å; I246-Y301 HydrophobicContact CD1-CE1 3.96Å; I246-Y301 HydrophobicContact CD1-CE2 4.32Å; I246-Y301 HydrophobicContact CD1-CG 3.79Å; I246-Y301 HydrophobicContact CG1-CD1 4.41Å; I246-Y301 HydrophobicContact CG1-CE1 4.38Å; A296-Y301 VanDerWaalsContact O-CB 3.31Å; A296-Y301 WeakPolarHBondContact O-CB 3.48Å; A296-Y301 PolarHBondContact O-N 3.14Å; V299-Y301 HydrophobicContact CG2-CD2 4.34Å; Y301-A304 WeakPolarHBondContact CE1-O 3.36Å; Y301-A304 PolarHBondContact OH-O 3.32Å; Y301-G305 WeakPolarHBondContact OH-CA 3.3Å; Y301-V322 HydrophobicContact CE2-CG1 3.92Å; Y301-A324 VanDerWaalsContact OH-C 3.29Å; Y301-A324 WeakPolarHBondContact OH-CA 3.47Å
302	Q	92.8	Very high	94.4	Very high	50 Å²	50	27.7 Å²	27.7	23%	0.234	14%	0.137	C	C	.	.			trans	-132.6	153.9	-178.8	-67	179.3	0.4	0	0	110.2	P138 G248 H250	P138-Q302 WeakPolarHBondContact CA-O 3.39Å; G248-Q302 CarbonylContact O-C 3.28Å; H250-Q302 PolarHBondContact CE1-OE1 3.49Å; H250-Q302 PolarHBondContact ND1-OE1 3.08Å
303	N	95.1	Very high	93.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.7	-161.9	-173.3	-145.5	-93.1	0	0	0	112.3	G137 G248 Q345	G137-N303 VanDerWaalsContact C-CB 3.44Å; G137-N303 WeakPolarHBondContact O-CB 3.38Å; G248-N303 PolarHBondContact N-O 3.19Å; G248-N303 PolarHBondContact O-N 3.09Å; N303-Q345 PolarHBondContact ND2-O 2.91Å; N303-Q345 WeakPolarHBondContact OD1-CB 3.35Å; N303-Q345 WeakPolarHBondContact OD1-CG 3.41Å; N303-Q345 PolarHBondContact OD1-NE2 3.12Å
304	A	96.1	Very high	93.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	151.3	176.6	0	0	0	0	0	112.2	L247 Y301 L341 Q345	L247-A304 HydrophobicContact CD1-CB 4.12Å; Y301-A304 WeakPolarHBondContact CE1-O 3.36Å; Y301-A304 PolarHBondContact OH-O 3.32Å; A304-L341 HydrophobicContact CB-CD2 4.17Å; A304-Q345 HydrophobicContact CB-CG 3.48Å; A304-Q345 VanDerWaalsContact CB-CG 3.48Å
305	G	95.3	Very high	92.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	172.4	175.4	0	0	0	0	0	111.9	Q245 I246 Y301	Q245-G305 PolarHBondContact NE2-O 2.84Å; I246-G305 VanDerWaalsContact CG1-C 3.49Å; I246-G305 VanDerWaalsContact CG1-O 3.29Å; I246-G305 WeakPolarHBondContact CG1-O 3.44Å; I246-G305 PolarHBondContact N-O 3.44Å; I246-G305 PolarHBondContact O-N 3.49Å; I246-G305 VanDerWaalsContact O-N 3.08Å; Y301-G305 WeakPolarHBondContact OH-CA 3.3Å
306	T	96.5	Very high	92.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.8	171.4	-66.3	0	0	0	0	111.1	E243 V244 Q245 R260 E308 V322 N323 Q327	E243-T306 HydrophobicContact CB-CG2 3.59Å; E243-T306 HydrophobicContact CG-CG2 3.85Å; V244-T306 WeakPolarHBondContact O-CA 3.29Å; Q245-T306 PolarHBondContact OE1-OG1 3.24Å; R260-T306 PolarHBondContact NH2-OG1 3.02Å; T306-E308 HydrophobicContact CG2-CG 4.44Å; T306-V322 CarbonylContact O-C 3.58Å; T306-V322 WeakPolarHBondContact O-CA 3.43Å; T306-N323 PolarHBondContact N-O 3.47Å; T306-N323 VanDerWaalsContact N-O 3.08Å; T306-N323 PolarHBondContact O-N 3.04Å; T306-Q327 VanDerWaalsContact CB-OE1 3.31Å; T306-Q327 VanDerWaalsContact CG2-OE1 3.31Å; T306-Q327 PolarHBondContact OG1-OE1 2.86Å
307	V	96.1	Very high	92.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.8	175.4	-173.8	0	0	0	0	108.2	E243 V244 I246 A292 L295 F309 F319 V322	E243-V307 CarbonylContact C-O 3.51Å; E243-V307 WeakPolarHBondContact CA-O 3.48Å; V244-V307 PolarHBondContact N-O 2.91Å; V244-V307 PolarHBondContact O-N 2.61Å; I246-V307 HydrophobicContact CD1-CG2 4.05Å; I246-V307 HydrophobicContact CG2-CG2 4.25Å; A292-V307 HydrophobicContact CB-CB 3.97Å; A292-V307 HydrophobicContact CB-CG1 4.26Å; A292-V307 HydrophobicContact CB-CG2 3.94Å; L295-V307 HydrophobicContact CD2-CG1 4.09Å; V307-F309 HydrophobicContact CB-CE2 4.05Å; V307-F309 HydrophobicContact CB-CZ 4.45Å; V307-F309 HydrophobicContact CG1-CD2 4.37Å; V307-F309 HydrophobicContact CG1-CE1 4.35Å; V307-F309 HydrophobicContact CG1-CE2 3.59Å; V307-F309 HydrophobicContact CG1-CZ 3.58Å; V307-F319 HydrophobicContact CG1-CD2 3.75Å; V307-F319 HydrophobicContact CG1-CE2 3.89Å; V307-V322 HydrophobicContact CB-CG2 4.47Å; V307-V322 HydrophobicContact CG1-CG2 4.3Å; V307-V322 HydrophobicContact CG2-CG2 4.1Å
308	E	95.2	Very high	92.5	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.051	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	138.4	-178.3	-62.1	-168.1	168.6	0	0	111.7	H241 E243 K270 T306 I320 E321 N323 Q327	H241-E308 IonicContact CE1-OE2 3.28Å; H241-E308 PolarHBondContact CE1-OE2 2.91Å; H241-E308 IonicContact NE2-OE1 2.84Å; H241-E308 IonicContact NE2-OE2 2.78Å; E243-E308 HydrophobicContact CB-CB 4.43Å; E243-E308 HydrophobicContact CB-CG 4Å; K270-E308 IonicContact NZ-OE1 3.84Å; K270-E308 PolarHBondContact NZ-OE1 2.91Å; T306-E308 HydrophobicContact CG2-CG 4.44Å; E308-I320 HydrophobicContact CB-CD1 3.92Å; E308-I320 HydrophobicContact CB-CG1 3.79Å; E308-I320 VanDerWaalsContact O-CG1 3.27Å; E308-I320 WeakPolarHBondContact O-CG1 3.38Å; E308-I320 PolarHBondContact O-N 2.72Å; E308-E321 HydrophobicContact CB-CG 4.18Å; E308-E321 HydrophobicContact CG-CG 4.31Å; E308-E321 PolarHBondContact N-O 2.79Å; E308-E321 WeakPolarHBondContact OE2-CG 3.32Å; E308-N323 PolarHBondContact OE1-ND2 2.78Å; E308-Q327 PolarHBondContact OE1-NE2 2.83Å
309	F	95.5	Very high	92.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.2	178.2	-57.7	-93.1	0	0	0	112.2	V161 I242 V244 M288 D291 A292 V307 H317 Y318 F319	V161-F309 HydrophobicContact CG1-CE1 4.22Å; I242-F309 PolarHBondContact N-O 3.43Å; I242-F309 WeakPolarHBondContact O-CA 3.31Å; I242-F309 WeakPolarHBondContact O-CB 3.46Å; I242-F309 PolarHBondContact O-N 3.13Å; I242-F309 VanDerWaalsContact O-O 3.05Å; V244-F309 HydrophobicContact CB-CE2 4.41Å; V244-F309 HydrophobicContact CG2-CD2 4.33Å; V244-F309 HydrophobicContact CG2-CE2 3.87Å; M288-F309 HydrophobicContact CB-CE2 4.47Å; D291-F309 HydrophobicContact CB-CE1 4.41Å; D291-F309 HydrophobicContact CB-CZ 4.32Å; A292-F309 HydrophobicContact CB-CE2 4.1Å; A292-F309 HydrophobicContact CB-CZ 4.11Å; V307-F309 HydrophobicContact CB-CE2 4.05Å; V307-F309 HydrophobicContact CB-CZ 4.45Å; V307-F309 HydrophobicContact CG1-CD2 4.37Å; V307-F309 HydrophobicContact CG1-CE1 4.35Å; V307-F309 HydrophobicContact CG1-CE2 3.59Å; V307-F309 HydrophobicContact CG1-CZ 3.58Å; F309-H317 AromaticContact CD1-CD2 3.82Å; F309-H317 AromaticContact CE1-CD2 3.95Å; F309-Y318 CarbonylContact C-O 3.57Å; F309-Y318 WeakPolarHBondContact CA-O 3.16Å; F309-F319 HydrophobicContact CD1-CB 4.27Å; F309-F319 HydrophobicContact CE1-CB 4.26Å
310	L	93.7	Very high	92.4	Very high	25 Å²	25	26.6 Å²	26.6	13%	0.131	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.3	162.1	-62.7	-179.8	0	0	0	109.3	I236 P239 H241 H317 Y318 I320	I236-L310 HydrophobicContact CB-CD1 4.38Å; I236-L310 HydrophobicContact CG1-CD1 4.24Å; P239-L310 HydrophobicContact CB-CB 3.86Å; P239-L310 HydrophobicContact CB-CD2 4.06Å; P239-L310 HydrophobicContact CB-CG 4.39Å; P239-L310 HydrophobicContact CG-CB 4.48Å; P239-L310 HydrophobicContact CG-CD1 4.37Å; P239-L310 HydrophobicContact CG-CD2 4.03Å; H241-L310 HydrophobicContact CB-CD2 4.46Å; L310-H317 CarbonylContact O-C 3.59Å; L310-H317 WeakPolarHBondContact O-CA 3.15Å; L310-Y318 PolarHBondContact N-O 2.8Å; L310-Y318 PolarHBondContact O-N 2.79Å; L310-I320 HydrophobicContact CD1-CG2 3.8Å; L310-I320 HydrophobicContact CD2-CD1 4.12Å; L310-I320 HydrophobicContact CG-CD1 4.09Å; L310-I320 HydrophobicContact CG-CG1 4.5Å; L310-I320 HydrophobicContact CG-CG2 3.79Å
311	L	93.7	Very high	92.3	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.052	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116	179.9	172.1	63.1	0	0	0	110.1	P239 R240 I242 L280 I284 M288 H317	P239-L311 CarbonylContact C-O 3.54Å; P239-L311 VanDerWaalsContact CA-O 3.31Å; P239-L311 WeakPolarHBondContact CA-O 3.16Å; R240-L311 HydrophobicContact CB-CB 4.31Å; R240-L311 PolarHBondContact N-O 3.27Å; R240-L311 PolarHBondContact O-N 3.36Å; I242-L311 HydrophobicContact CG1-CB 4.13Å; I242-L311 HydrophobicContact CG1-CD2 4.02Å; L280-L311 HydrophobicContact CD1-CD2 3.56Å; I284-L311 HydrophobicContact CG2-CD1 3.71Å; I284-L311 HydrophobicContact CG2-CD2 4.3Å; M288-L311 HydrophobicContact CE-CD2 4.45Å; L311-H317 HydrophobicContact CD1-CB 4.24Å
312	E	90.6	Very high	92.2	Very high	35 Å²	35	26.8 Å²	26.8	16%	0.164	15%	0.151	C	C	.	.			trans	-75.3	154.9	174.8	-81.4	-172	152.3	0	0	112.5	I236 N314 G315 C316 Y318	I236-E312 HydrophobicContact CG2-CG 3.38Å; E312-N314 WeakPolarHBondContact CB-OD1 3.46Å; E312-N314 PolarHBondContact O-N 2.88Å; E312-N314 VanDerWaalsContact O-N 3.1Å; E312-N314 PolarHBondContact OE2-ND2 2.81Å; E312-N314 PolarHBondContact OE2-OD1 2.85Å; E312-G315 PolarHBondContact O-N 3.16Å; E312-C316 PolarHBondContact N-O 3.47Å; E312-Y318 HydrophobicContact CG-CE2 3.98Å
313	P	84.6	Confident	92.1	Very high	114 Å²	114	24.8 Å²	24.8	74%	0.74	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.8	176.4	-26.3	35.4	0	0	0	115.5	G315	P313-G315 VanDerWaalsContact C-N 3.28Å
314	N	84.3	Confident	92	Very high	110 Å²	110	24.9 Å²	24.9	59%	0.588	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.7	174.6	59.5	17.5	0	0	0	113.3	E312 C316	E312-N314 WeakPolarHBondContact CB-OD1 3.46Å; E312-N314 PolarHBondContact O-N 2.88Å; E312-N314 VanDerWaalsContact O-N 3.1Å; E312-N314 PolarHBondContact OE2-ND2 2.81Å; E312-N314 PolarHBondContact OE2-OD1 2.85Å; N314-C316 VanDerWaalsContact OD1-CB 3.3Å; N314-C316 WeakPolarHBondContact OD1-CB 3.35Å; N314-C316 PolarHBondContact OD1-N 2.81Å
315	G	85.5	Confident	91.8	Very high	22 Å²	22	26.5 Å²	26.5	23%	0.227	15%	0.148	C	C	.	.	S	Bend	trans	94.8	8.3	-176.1	0	0	0	0	0	115.7	E312 P313	E312-G315 PolarHBondContact O-N 3.16Å; P313-G315 VanDerWaalsContact C-N 3.28Å
316	C	89.8	Confident	91.8	Very high	57 Å²	57	26.5 Å²	26.5	39%	0.385	15%	0.148	S	C	.	.			trans	-80.5	128.9	169.2	-69.5	0	0	0	0	110.4	E312 N314 Y318	E312-C316 PolarHBondContact N-O 3.47Å; N314-C316 VanDerWaalsContact OD1-CB 3.3Å; N314-C316 WeakPolarHBondContact OD1-CB 3.35Å; N314-C316 PolarHBondContact OD1-N 2.81Å; C316-Y318 HydrophobicContact CB-CE2 3.89Å
317	H	93.5	Very high	91.8	Very high	19 Å²	19	26.5 Å²	26.5	9%	0.088	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	146.1	174.6	66.2	-82.1	0	0	0	111.2	M288 D291 F309 L310 L311	M288-H317 HydrophobicContact CG-CB 3.76Å; M288-H317 VanDerWaalsContact CG-CG 3.47Å; M288-H317 HydrophobicContact SD-CB 3.77Å; D291-H317 IonicContact OD2-CD2 2.69Å; D291-H317 IonicContact OD2-CE1 3.87Å; D291-H317 IonicContact OD2-NE2 2.69Å; D291-H317 PolarHBondContact OD2-NE2 3.06Å; F309-H317 AromaticContact CD1-CD2 3.82Å; F309-H317 AromaticContact CE1-CD2 3.95Å; L310-H317 CarbonylContact O-C 3.59Å; L310-H317 WeakPolarHBondContact O-CA 3.15Å; L311-H317 HydrophobicContact CD1-CB 4.24Å
318	Y	94.1	Very high	91.7	Very high	40 Å²	40	27.3 Å²	27.3	16%	0.157	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	126	-176.7	-57.1	-86.5	0	0	0	110.1	T162 V163 V164 I236 F309 L310 E312 C316	T162-Y318 HydrophobicContact CG2-CD1 3.82Å; T162-Y318 HydrophobicContact CG2-CE1 4.01Å; V163-Y318 WeakPolarHBondContact O-CD1 3.49Å; V164-Y318 HydrophobicContact CG2-CG 4.27Å; I236-Y318 HydrophobicContact CD1-CD2 4.22Å; I236-Y318 HydrophobicContact CD1-CE2 4.18Å; F309-Y318 CarbonylContact C-O 3.57Å; F309-Y318 WeakPolarHBondContact CA-O 3.16Å; L310-Y318 PolarHBondContact N-O 2.8Å; L310-Y318 PolarHBondContact O-N 2.79Å; E312-Y318 HydrophobicContact CG-CE2 3.98Å; C316-Y318 HydrophobicContact CB-CE2 3.89Å
319	F	93.9	Very high	91.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.5	171.4	170.2	-101.4	0	0	0	111.3	M146 A152 A156 V161 T162 V163 L295 V307 F309 E321 V322	M146-F319 HydrophobicContact CE-CZ 4.48Å; A152-F319 HydrophobicContact CB-CE1 4.3Å; A152-F319 HydrophobicContact CB-CZ 4.26Å; A156-F319 HydrophobicContact CB-CB 4.47Å; A156-F319 HydrophobicContact CB-CD1 3.48Å; A156-F319 VanDerWaalsContact CB-CD1 3.48Å; A156-F319 HydrophobicContact CB-CE1 3.85Å; A156-F319 HydrophobicContact CB-CG 3.98Å; V161-F319 HydrophobicContact CG1-CB 4.04Å; T162-F319 WeakPolarHBondContact O-CB 3.36Å; T162-F319 PolarHBondContact O-N 3.37Å; V163-F319 HydrophobicContact CG1-CB 4.42Å; V163-F319 HydrophobicContact CG1-CD1 4.04Å; L295-F319 HydrophobicContact CD2-CD2 3.84Å; L295-F319 HydrophobicContact CD2-CE2 3.56Å; L295-F319 HydrophobicContact CD2-CG 4.48Å; L295-F319 HydrophobicContact CD2-CZ 3.99Å; V307-F319 HydrophobicContact CG1-CD2 3.75Å; V307-F319 HydrophobicContact CG1-CE2 3.89Å; F309-F319 HydrophobicContact CD1-CB 4.27Å; F309-F319 HydrophobicContact CE1-CB 4.26Å; F319-E321 VanDerWaalsContact CE2-O 3.29Å; F319-E321 WeakPolarHBondContact CE2-O 3.5Å; F319-V322 HydrophobicContact CE2-CG2 3.59Å; F319-V322 HydrophobicContact CZ-CG2 3.9Å
320	I	88.7	Confident	92	Very high	20 Å²	20	27.2 Å²	27.2	10%	0.103	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	-47.2	175.6	48.3	162.6	0	0	0	114.7	V164 E308 L310	V164-I320 HydrophobicContact CG2-CG2 3.88Å; E308-I320 HydrophobicContact CB-CD1 3.92Å; E308-I320 HydrophobicContact CB-CG1 3.79Å; E308-I320 VanDerWaalsContact O-CG1 3.27Å; E308-I320 WeakPolarHBondContact O-CG1 3.38Å; E308-I320 PolarHBondContact O-N 2.72Å; L310-I320 HydrophobicContact CD1-CG2 3.8Å; L310-I320 HydrophobicContact CD2-CD1 4.12Å; L310-I320 HydrophobicContact CG-CD1 4.09Å; L310-I320 HydrophobicContact CG-CG1 4.5Å; L310-I320 HydrophobicContact CG-CG2 3.79Å
321	E	88.9	Confident	92.2	Very high	41 Å²	41	26 Å²	26	19%	0.192	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	160.5	177.4	58.5	179.7	-113.2	0	0	112.6	K149 E308 F319 N323	K149-E321 WeakPolarHBondContact CE-OE2 3.46Å; K149-E321 IonicContact NZ-OE2 2.66Å; K149-E321 PolarHBondContact NZ-OE2 3.35Å; E308-E321 HydrophobicContact CB-CG 4.18Å; E308-E321 HydrophobicContact CG-CG 4.31Å; E308-E321 PolarHBondContact N-O 2.79Å; E308-E321 WeakPolarHBondContact OE2-CG 3.32Å; F319-E321 VanDerWaalsContact CE2-O 3.29Å; F319-E321 WeakPolarHBondContact CE2-O 3.5Å; E321-N323 PolarHBondContact OE1-ND2 3.41Å
322	V	91.1	Very high	92.4	Very high	8 Å²	8	25.5 Å²	25.5	5%	0.048	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.7	165.2	175.2	0	0	0	0	108.7	M146 L295 Y301 T306 V307 F319 A324	M146-V322 HydrophobicContact CB-CB 4.27Å; M146-V322 HydrophobicContact CE-CB 3.85Å; M146-V322 HydrophobicContact CE-CG2 3.46Å; M146-V322 VanDerWaalsContact CE-CG2 3.46Å; L295-V322 HydrophobicContact CD2-CG2 3.84Å; Y301-V322 HydrophobicContact CE2-CG1 3.92Å; T306-V322 CarbonylContact O-C 3.58Å; T306-V322 WeakPolarHBondContact O-CA 3.43Å; V307-V322 HydrophobicContact CB-CG2 4.47Å; V307-V322 HydrophobicContact CG1-CG2 4.3Å; V307-V322 HydrophobicContact CG2-CG2 4.1Å; F319-V322 HydrophobicContact CE2-CG2 3.59Å; F319-V322 HydrophobicContact CZ-CG2 3.9Å; V322-A324 PolarHBondContact O-N 3.41Å; V322-A324 VanDerWaalsContact O-N 3.12Å
323	N	91.6	Very high	92.8	Very high	7 Å²	7	23.9 Å²	23.9	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	103.2	168.4	-82.2	-128.4	0	0	0	107.2	T306 E308 E321 R325 Q327	T306-N323 PolarHBondContact N-O 3.47Å; T306-N323 VanDerWaalsContact N-O 3.08Å; T306-N323 PolarHBondContact O-N 3.04Å; E308-N323 PolarHBondContact OE1-ND2 2.78Å; E321-N323 PolarHBondContact OE1-ND2 3.41Å; N323-R325 PolarHBondContact O-N 3.33Å; N323-R325 VanDerWaalsContact OD1-CZ 3.28Å; N323-R325 PolarHBondContact OD1-NH1 3.01Å; N323-R325 PolarHBondContact OD1-NH2 3.42Å; N323-Q327 HydrophobicContact CB-CG 4.18Å; N323-Q327 VanDerWaalsContact CG-NE2 3.32Å; N323-Q327 PolarHBondContact OD1-NE2 3.2Å; N323-Q327 VanDerWaalsContact OD1-NE2 3.17Å
324	A	92.3	Very high	93.4	Very high	3 Å²	3	18.9 Å²	18.9	3%	0.025	10%	0.103	C	C	.	.	S	Bend	trans	-77.8	39.6	-171.6	0	0	0	0	0	113.5	P138 Y301 V322	P138-A324 WeakPolarHBondContact CD-O 3.4Å; P138-A324 HydrophobicContact CG-CB 4.4Å; P138-A324 VanDerWaalsContact CG-O 3.28Å; P138-A324 WeakPolarHBondContact CG-O 3.47Å; Y301-A324 VanDerWaalsContact OH-C 3.29Å; Y301-A324 WeakPolarHBondContact OH-CA 3.47Å; V322-A324 PolarHBondContact O-N 3.41Å; V322-A324 VanDerWaalsContact O-N 3.12Å
325	R	92.9	Very high	94	Very high	34 Å²	34	16.3 Å²	16.3	13%	0.128	9%	0.088	C	C	.	.	S	Bend	trans	-168	-177.3	-167.6	54	160.3	169.1	66.4	18.6	111.2	S119 E120 N323	S119-R325 VanDerWaalsContact OG-CD 3.25Å; S119-R325 WeakPolarHBondContact OG-CD 3.46Å; E120-R325 VanDerWaalsContact CD-NE 3.3Å; E120-R325 HydrophobicContact CG-CG 4.07Å; E120-R325 IonicContact OE1-CZ 3.31Å; E120-R325 IonicContact OE1-NE 2.67Å; E120-R325 PolarHBondContact OE1-NE 2.79Å; E120-R325 IonicContact OE1-NH2 3.82Å; E120-R325 PolarHBondContact OE1-NH2 3.22Å; E120-R325 IonicContact OE2-NE 3.7Å; E120-R325 IonicContact OE2-NH2 2.76Å; N323-R325 PolarHBondContact O-N 3.33Å; N323-R325 VanDerWaalsContact OD1-CZ 3.28Å; N323-R325 PolarHBondContact OD1-NH1 3.01Å; N323-R325 PolarHBondContact OD1-NH2 3.42Å
326	L	95.2	Very high	94.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.			trans	-69.4	158.5	162.5	-158.1	67.7	0	0	0	111.2	I45 Y115 H330 L341 V342	I45-L326 HydrophobicContact CD1-CD2 3.89Å; Y115-L326 WeakPolarHBondContact CB-O 3.09Å; L326-H330 HydrophobicContact CD1-CB 3.55Å; L326-H330 HydrophobicContact CD2-CB 4.47Å; L326-H330 HydrophobicContact CG-CB 3.93Å; L326-L341 HydrophobicContact CD1-CB 4.21Å; L326-L341 HydrophobicContact CD1-CD1 4.48Å; L326-V342 HydrophobicContact CD2-CG2 3.75Å
327	Q	95.8	Very high	94.9	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.065	C	C	.	.			trans	-117.6	167.4	172	-80.9	169.3	-34.3	0	0	110.9	E243 T306 E308 N323 E329 H330	E243-Q327 PolarHBondContact OE1-OE1 3.14Å; E243-Q327 VanDerWaalsContact OE1-OE1 3.09Å; E243-Q327 PolarHBondContact OE2-NE2 3.11Å; E243-Q327 PolarHBondContact OE2-OE1 3.28Å; T306-Q327 VanDerWaalsContact CB-OE1 3.31Å; T306-Q327 VanDerWaalsContact CG2-OE1 3.31Å; T306-Q327 PolarHBondContact OG1-OE1 2.86Å; E308-Q327 PolarHBondContact OE1-NE2 2.83Å; N323-Q327 HydrophobicContact CB-CG 4.18Å; N323-Q327 VanDerWaalsContact CG-NE2 3.32Å; N323-Q327 PolarHBondContact OD1-NE2 3.2Å; N323-Q327 VanDerWaalsContact OD1-NE2 3.17Å; Q327-E329 HydrophobicContact CB-CG 4.02Å; Q327-E329 PolarHBondContact O-N 2.87Å; Q327-H330 PolarHBondContact O-N 3.28Å; Q327-H330 PolarHBondContact O-ND1 3.43Å
328	V	95.9	Very high	95	Very high	17 Å²	17	16.2 Å²	16.2	10%	0.103	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-38.1	176.3	168.9	0	0	0	0	110.8	Y115 Q372 K425	Y115-V328 HydrophobicContact CD1-CG2 4.12Å; Y115-V328 HydrophobicContact CD2-CG2 3.93Å; Y115-V328 HydrophobicContact CE1-CB 4.25Å; Y115-V328 HydrophobicContact CE1-CG2 3.65Å; Y115-V328 HydrophobicContact CE2-CG2 3.48Å; Y115-V328 VanDerWaalsContact CE2-CG2 3.48Å; Y115-V328 HydrophobicContact CG-CG2 4.26Å; V328-Q372 PolarHBondContact O-NE2 2.85Å; V328-K425 HydrophobicContact CG1-CD 3.57Å; V328-K425 HydrophobicContact CG1-CG 4.48Å; V328-K425 PolarHBondContact O-NZ 3.42Å
329	E	97.2	Very high	95.1	Very high	8 Å²	8	15.5 Å²	15.5	4%	0.037	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9	-175.8	56.4	-90	-149.6	0	0	115.9	E243 R260 K270 E273 Q327 T331 V332 R374	E243-E329 VanDerWaalsContact OE1-CG 3.32Å; E243-E329 WeakPolarHBondContact OE1-CG 3.46Å; R260-E329 WeakPolarHBondContact CD-O 3.41Å; K270-E329 WeakPolarHBondContact CD-OE1 3.46Å; K270-E329 WeakPolarHBondContact CE-OE1 3.45Å; K270-E329 IonicContact NZ-OE1 2.75Å; K270-E329 PolarHBondContact NZ-OE1 3.47Å; E273-E329 HydrophobicContact CB-CB 3.85Å; E273-E329 HydrophobicContact CG-CB 3.64Å; E273-E329 HydrophobicContact CG-CG 4.13Å; Q327-E329 HydrophobicContact CB-CG 4.02Å; Q327-E329 PolarHBondContact O-N 2.87Å; E329-T331 PolarHBondContact O-N 3.27Å; E329-T331 VanDerWaalsContact O-N 3.13Å; E329-V332 VanDerWaalsContact O-CG2 3.31Å; E329-V332 WeakPolarHBondContact O-CG2 3.5Å; E329-R374 IonicContact OE1-NH2 2.94Å; E329-R374 IonicContact OE2-CZ 2.74Å; E329-R374 IonicContact OE2-NH2 3.28Å; E329-R374 PolarHBondContact OE2-NH2 3.17Å
330	H	98	Very high	95.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-54.1	-32.6	170.2	71	-85.8	0	0	0	112.7	R48 L326 Q327 V332 T333 E334 L341	R48-H330 PolarHBondContact NE-NE2 2.91Å; L326-H330 HydrophobicContact CD1-CB 3.55Å; L326-H330 HydrophobicContact CD2-CB 4.47Å; L326-H330 HydrophobicContact CG-CB 3.93Å; Q327-H330 PolarHBondContact O-N 3.28Å; Q327-H330 PolarHBondContact O-ND1 3.43Å; H330-V332 PolarHBondContact O-N 2.72Å; H330-T333 WeakPolarHBondContact O-CA 3.47Å; H330-T333 VanDerWaalsContact O-CB 3.28Å; H330-T333 WeakPolarHBondContact O-CB 3.49Å; H330-T333 PolarHBondContact O-N 3.05Å; H330-E334 VanDerWaalsContact CD2-CD 3.48Å; H330-E334 IonicContact CD2-OE1 3.15Å; H330-E334 PolarHBondContact CD2-OE1 3.49Å; H330-E334 IonicContact CD2-OE2 2.85Å; H330-E334 IonicContact NE2-OE2 2.69Å; H330-E334 WeakPolarHBondContact O-CG 3.47Å; H330-E334 PolarHBondContact O-N 3.44Å; H330-E334 VanDerWaalsContact O-N 3.12Å; H330-L341 HydrophobicContact CB-CD1 3.92Å
331	T	98.2	Very high	95.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-53.1	-44.7	-175.8	54.6	0	0	0	0	114.1	E329 T333 E334 E335 Q372 D405 I427	E329-T331 PolarHBondContact O-N 3.27Å; E329-T331 VanDerWaalsContact O-N 3.13Å; T331-T333 VanDerWaalsContact C-N 3.27Å; T331-T333 PolarHBondContact O-N 3.5Å; T331-E334 WeakPolarHBondContact O-CB 3.45Å; T331-E334 PolarHBondContact O-N 3.3Å; T331-E334 VanDerWaalsContact O-N 3.15Å; T331-E335 WeakPolarHBondContact O-CG 3.15Å; T331-E335 PolarHBondContact O-N 2.76Å; T331-Q372 PolarHBondContact OG1-OE1 3.46Å; T331-D405 WeakPolarHBondContact CG2-OD1 3.4Å; T331-I427 HydrophobicContact CG2-CD1 4.09Å
332	V	98.3	Very high	96	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.5	-29.2	178.9	-69.8	0	0	0	0	112.2	R260 A275 E329 H330 V336 A370 Q372 I427	R260-V332 VanDerWaalsContact CD-CG2 3.44Å; R260-V332 HydrophobicContact CG-CG2 3.95Å; A275-V332 HydrophobicContact CB-CB 3.74Å; A275-V332 HydrophobicContact CB-CG2 3.79Å; A275-V332 WeakPolarHBondContact CB-O 3.48Å; E329-V332 VanDerWaalsContact O-CG2 3.31Å; E329-V332 WeakPolarHBondContact O-CG2 3.5Å; H330-V332 PolarHBondContact O-N 2.72Å; V332-V336 WeakPolarHBondContact O-CG2 3.31Å; V332-V336 PolarHBondContact O-N 3.13Å; V332-A370 HydrophobicContact CB-CB 3.85Å; V332-A370 HydrophobicContact CG1-CB 3.89Å; V332-Q372 HydrophobicContact CG1-CB 3.7Å; V332-Q372 VanDerWaalsContact CG1-N 3.33Å; V332-I427 HydrophobicContact CG1-CG2 3.85Å
333	T	98.2	Very high	96.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-68.9	-41	171.4	-61.6	0	0	0	0	111.2	Q245 L257 R260 H330 T331 V336 T337 L341	Q245-T333 HydrophobicContact CB-CG2 4.26Å; Q245-T333 HydrophobicContact CG-CG2 4.15Å; L257-T333 HydrophobicContact CB-CG2 3.5Å; L257-T333 VanDerWaalsContact CB-CG2 3.5Å; L257-T333 HydrophobicContact CD1-CG2 4.31Å; L257-T333 VanDerWaalsContact O-CG2 3.23Å; L257-T333 WeakPolarHBondContact O-CG2 3.37Å; R260-T333 WeakPolarHBondContact CD-OG1 3.3Å; R260-T333 PolarHBondContact NH1-OG1 2.96Å; H330-T333 WeakPolarHBondContact O-CA 3.47Å; H330-T333 VanDerWaalsContact O-CB 3.28Å; H330-T333 WeakPolarHBondContact O-CB 3.49Å; H330-T333 PolarHBondContact O-N 3.05Å; T331-T333 VanDerWaalsContact C-N 3.27Å; T331-T333 PolarHBondContact O-N 3.5Å; T333-V336 PolarHBondContact O-N 2.92Å; T333-T337 HydrophobicContact CG2-CG2 4.21Å; T333-T337 WeakPolarHBondContact O-CB 2.93Å; T333-T337 WeakPolarHBondContact O-CG2 3.43Å; T333-T337 PolarHBondContact O-N 2.67Å; T333-T337 PolarHBondContact O-OG1 2.87Å; T333-L341 HydrophobicContact CG2-CD1 4.31Å
334	E	98	Very high	96.5	Very high	9 Å²	9	16.9 Å²	16.9	4%	0.042	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-47	175.7	-54.3	-172.1	137.2	0	0	111.3	R48 H330 T331 V336 T337 G338 I339 L341 R403	R48-E334 IonicContact CZ-OE1 3.62Å; R48-E334 IonicContact CZ-OE2 3.15Å; R48-E334 IonicContact NE-OE1 2.71Å; R48-E334 IonicContact NE-OE2 3.17Å; R48-E334 VanDerWaalsContact NH2-CD 3.33Å; R48-E334 IonicContact NH2-OE1 3.4Å; R48-E334 PolarHBondContact NH2-OE1 2.83Å; R48-E334 IonicContact NH2-OE2 2.78Å; R48-E334 PolarHBondContact NH2-OE2 3.28Å; H330-E334 VanDerWaalsContact CD2-CD 3.48Å; H330-E334 IonicContact CD2-OE1 3.15Å; H330-E334 PolarHBondContact CD2-OE1 3.49Å; H330-E334 IonicContact CD2-OE2 2.85Å; H330-E334 IonicContact NE2-OE2 2.69Å; H330-E334 WeakPolarHBondContact O-CG 3.47Å; H330-E334 PolarHBondContact O-N 3.44Å; H330-E334 VanDerWaalsContact O-N 3.12Å; T331-E334 WeakPolarHBondContact O-CB 3.45Å; T331-E334 PolarHBondContact O-N 3.3Å; T331-E334 VanDerWaalsContact O-N 3.15Å; E334-V336 PolarHBondContact O-N 2.92Å; E334-T337 PolarHBondContact O-N 2.87Å; E334-G338 WeakPolarHBondContact O-CA 3.29Å; E334-G338 PolarHBondContact O-N 2.69Å; E334-I339 WeakPolarHBondContact CG-O 3.26Å; E334-L341 HydrophobicContact CG-CB 4.32Å; E334-L341 HydrophobicContact CG-CD1 4.31Å; E334-L341 WeakPolarHBondContact OE1-CB 3.36Å; E334-L341 PolarHBondContact OE1-N 3.33Å; E334-R403 IonicContact OE2-CZ 2.67Å; E334-R403 IonicContact OE2-NH1 2.97Å; E334-R403 PolarHBondContact OE2-NH1 3.19Å; E334-R403 IonicContact OE2-NH2 3.53Å; E334-R403 PolarHBondContact OE2-NH2 3.43Å
335	E	97.5	Very high	96.7	Very high	56 Å²	56	16.9 Å²	16.9	26%	0.262	10%	0.103	S	C	.	.	H	α-helix	trans	-62.2	-37.5	-179.4	-65.1	-59	118.3	0	0	113.2	T331 A370 R403 I427 H429	T331-E335 WeakPolarHBondContact O-CG 3.15Å; T331-E335 PolarHBondContact O-N 2.76Å; E335-A370 HydrophobicContact CB-CB 3.74Å; E335-A370 HydrophobicContact CG-CB 4.4Å; E335-R403 WeakPolarHBondContact OE1-CD 3.3Å; E335-R403 IonicContact OE1-CZ 3.2Å; E335-R403 IonicContact OE1-NE 3.75Å; E335-R403 IonicContact OE1-NH1 2.88Å; E335-R403 PolarHBondContact OE1-NH1 2.62Å; E335-I427 HydrophobicContact CG-CG2 3.79Å; E335-H429 HydrophobicContact CB-CB 4.25Å; E335-H429 PolarHBondContact O-CD2 3.29Å; E335-H429 PolarHBondContact O-NE2 3.15Å
336	V	97.5	Very high	96.9	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.018	10%	0.097	C	C	.	.	H	α-helix	trans	-85.3	-25.9	178.8	-56.3	0	0	0	0	113.9	A275 V332 T333 E334 P366 V367 A370	A275-V336 HydrophobicContact CB-CG1 4.22Å; A275-V336 HydrophobicContact CB-CG2 3.96Å; V332-V336 WeakPolarHBondContact O-CG2 3.31Å; V332-V336 PolarHBondContact O-N 3.13Å; T333-V336 PolarHBondContact O-N 2.92Å; E334-V336 PolarHBondContact O-N 2.92Å; V336-P366 HydrophobicContact CB-CB 4.23Å; V336-P366 HydrophobicContact CG2-CB 4.06Å; V336-P366 CarbonylContact O-C 3.58Å; V336-P366 WeakPolarHBondContact O-CA 3.38Å; V336-V367 PolarHBondContact O-N 3.45Å; V336-A370 HydrophobicContact CG1-CB 3.77Å
337	T	96.5	Very high	96.9	Very high	20 Å²	20	18.2 Å²	18.2	12%	0.123	11%	0.108	C	C	.	.	H	α-helix	trans	-98.6	-18.7	-178.7	61.6	0	0	0	0	114.3	L257 T333 E334 I339 V364	L257-T337 HydrophobicContact CB-CG2 4.44Å; T333-T337 HydrophobicContact CG2-CG2 4.21Å; T333-T337 WeakPolarHBondContact O-CB 2.93Å; T333-T337 WeakPolarHBondContact O-CG2 3.43Å; T333-T337 PolarHBondContact O-N 2.67Å; T333-T337 PolarHBondContact O-OG1 2.87Å; E334-T337 PolarHBondContact O-N 2.87Å; T337-I339 PolarHBondContact O-N 3.15Å; T337-I339 PolarHBondContact OG1-N 3.27Å; T337-V364 HydrophobicContact CG2-CG1 4.11Å
338	G	95	Very high	96.9	Very high	73 Å²	73	18.1 Å²	18.1	75%	0.753	11%	0.108	S	C	*	.			trans	72.4	10.7	-172.8	0	0	0	0	0	114.5	E334	E334-G338 WeakPolarHBondContact O-CA 3.29Å; E334-G338 PolarHBondContact O-N 2.69Å
339	I	95.9	Very high	96.8	Very high	24 Å²	24	17.9 Å²	17.9	12%	0.123	11%	0.107	C	C	.	.			trans	-104	120.2	-174.4	-64.9	165.9	0	0	0	109.5	L257 E334 T337 L341 L359 V364	L257-I339 HydrophobicContact CD1-CG2 4.32Å; L257-I339 HydrophobicContact CD2-CD1 3.64Å; E334-I339 WeakPolarHBondContact CG-O 3.26Å; T337-I339 PolarHBondContact O-N 3.15Å; T337-I339 PolarHBondContact OG1-N 3.27Å; I339-L341 PolarHBondContact O-N 3.26Å; I339-L359 HydrophobicContact CD1-CD2 3.6Å; I339-L359 HydrophobicContact CG1-CD2 3.93Å; I339-L359 HydrophobicContact CG2-CD1 4.16Å; I339-L359 HydrophobicContact CG2-CD2 4.47Å; I339-V364 HydrophobicContact CD1-CG2 3.82Å
340	D	96.8	Very high	96.7	Very high	44 Å²	44	18.1 Å²	18.1	24%	0.235	11%	0.108	C	C	.	.			trans	-72.4	108.8	171	-172	-51.4	0	0	0	109.5	R48 V342 Q343 A344	R48-D340 IonicContact CZ-OD1 3.74Å; R48-D340 IonicContact CZ-OD2 2.74Å; R48-D340 IonicContact NH1-OD1 2.65Å; R48-D340 IonicContact NH1-OD2 3.92Å; R48-D340 PolarHBondContact NH1-OD2 3.03Å; R48-D340 VanDerWaalsContact NH1-OD2 3.11Å; R48-D340 IonicContact NH2-OD1 2.65Å; R48-D340 PolarHBondContact NH2-OD1 3.42Å; R48-D340 IonicContact NH2-OD2 3.97Å; R48-D340 PolarHBondContact NH2-OD2 3.13Å; D340-V342 PolarHBondContact OD1-N 3.47Å; D340-Q343 HydrophobicContact CB-CB 4.11Å; D340-Q343 HydrophobicContact CB-CG 4.21Å; D340-Q343 PolarHBondContact OD1-N 3.11Å; D340-A344 WeakPolarHBondContact O-CB 3.47Å; D340-A344 PolarHBondContact O-N 3.02Å; D340-A344 VanDerWaalsContact O-N 3.15Å
341	L	97	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.9	-36.3	-177.9	-98.7	162.3	0	0	0	111.7	Q245 L247 L257 A304 L326 H330 T333 E334 I339 A344 Q345	Q245-L341 HydrophobicContact CG-CD1 3.94Å; Q245-L341 HydrophobicContact CG-CD2 4.28Å; L247-L341 HydrophobicContact CD1-CD2 4.35Å; L257-L341 HydrophobicContact CD1-CD1 4.2Å; L257-L341 HydrophobicContact CD1-CD2 3.67Å; L257-L341 HydrophobicContact CD1-CG 3.84Å; A304-L341 HydrophobicContact CB-CD2 4.17Å; L326-L341 HydrophobicContact CD1-CB 4.21Å; L326-L341 HydrophobicContact CD1-CD1 4.48Å; H330-L341 HydrophobicContact CB-CD1 3.92Å; T333-L341 HydrophobicContact CG2-CD1 4.31Å; E334-L341 HydrophobicContact CG-CB 4.32Å; E334-L341 HydrophobicContact CG-CD1 4.31Å; E334-L341 WeakPolarHBondContact OE1-CB 3.36Å; E334-L341 PolarHBondContact OE1-N 3.33Å; I339-L341 PolarHBondContact O-N 3.26Å; L341-A344 WeakPolarHBondContact O-CB 3.44Å; L341-A344 PolarHBondContact O-N 3.29Å; L341-Q345 VanDerWaalsContact O-CG 3.32Å; L341-Q345 WeakPolarHBondContact O-CG 3.43Å; L341-Q345 PolarHBondContact O-N 2.91Å
342	V	97.7	Very high	96.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-76	-41.3	-173.7	-176.2	0	0	0	0	111.1	R48 V49 A52 L326 D340 A344 Q345 I346	R48-V342 HydrophobicContact CG-CG2 4.13Å; V49-V342 HydrophobicContact CB-CG1 4.25Å; V49-V342 HydrophobicContact CG1-CG1 4.28Å; V49-V342 HydrophobicContact CG2-CG1 3.81Å; A52-V342 HydrophobicContact CB-CB 4.09Å; A52-V342 HydrophobicContact CB-CG1 3.73Å; L326-V342 HydrophobicContact CD2-CG2 3.75Å; D340-V342 PolarHBondContact OD1-N 3.47Å; V342-A344 VanDerWaalsContact C-N 3.3Å; V342-A344 PolarHBondContact O-N 2.85Å; V342-Q345 WeakPolarHBondContact O-CB 3.47Å; V342-Q345 PolarHBondContact O-N 3.15Å; V342-I346 HydrophobicContact CG1-CD1 4.16Å; V342-I346 WeakPolarHBondContact O-CD1 3.45Å; V342-I346 VanDerWaalsContact O-CG1 3.26Å; V342-I346 WeakPolarHBondContact O-CG1 3.41Å; V342-I346 PolarHBondContact O-N 3.37Å
343	Q	97.1	Very high	95.9	Very high	54 Å²	54	22.1 Å²	22.1	25%	0.252	13%	0.129	S	C	.	.	H	α-helix	trans	-61	-41.3	168.6	-68.3	-169.9	24.5	0	0	110.7	A52 E55 L56 D340 I346 R347	A52-Q343 HydrophobicContact CB-CG 3.83Å; E55-Q343 PolarHBondContact OE2-NE2 3.02Å; L56-Q343 HydrophobicContact CD1-CB 4.13Å; L56-Q343 HydrophobicContact CD1-CG 4.05Å; L56-Q343 HydrophobicContact CD2-CB 4.36Å; L56-Q343 HydrophobicContact CD2-CG 4.11Å; L56-Q343 HydrophobicContact CG-CB 4.47Å; L56-Q343 HydrophobicContact CG-CG 3.99Å; D340-Q343 HydrophobicContact CB-CB 4.11Å; D340-Q343 HydrophobicContact CB-CG 4.21Å; D340-Q343 PolarHBondContact OD1-N 3.11Å; Q343-I346 PolarHBondContact O-N 3.02Å; Q343-R347 WeakPolarHBondContact O-CB 3.44Å; Q343-R347 VanDerWaalsContact O-CG 3.3Å; Q343-R347 WeakPolarHBondContact O-CG 3.27Å; Q343-R347 PolarHBondContact O-N 3.22Å
344	A	96.1	Very high	95.5	Very high	7 Å²	7	22.4 Å²	22.4	6%	0.058	13%	0.13	C	C	.	.	H	α-helix	trans	-63	-41.9	174.9	0	0	0	0	0	112.5	L247 D340 L341 V342 I346 R347 I348 L357	L247-A344 HydrophobicContact CD1-CB 4.34Å; L247-A344 HydrophobicContact CD2-CB 4.06Å; D340-A344 WeakPolarHBondContact O-CB 3.47Å; D340-A344 PolarHBondContact O-N 3.02Å; D340-A344 VanDerWaalsContact O-N 3.15Å; L341-A344 WeakPolarHBondContact O-CB 3.44Å; L341-A344 PolarHBondContact O-N 3.29Å; V342-A344 VanDerWaalsContact C-N 3.3Å; V342-A344 PolarHBondContact O-N 2.85Å; A344-I346 PolarHBondContact O-N 3.26Å; A344-R347 PolarHBondContact O-N 3.33Å; A344-I348 WeakPolarHBondContact O-CB 3.36Å; A344-I348 VanDerWaalsContact O-CG1 3.3Å; A344-I348 WeakPolarHBondContact O-CG1 3.42Å; A344-I348 PolarHBondContact O-N 3.17Å; A344-L357 HydrophobicContact CB-CD1 4.11Å
345	Q	96.9	Very high	95.1	Very high	3 Å²	3	29 Å²	29	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-56.8	-48.1	172.8	-73.9	-166.5	-98.9	0	0	111.9	I136 N303 A304 L341 V342 A349	I136-Q345 HydrophobicContact CG2-CB 3.97Å; I136-Q345 WeakPolarHBondContact CG2-O 3.5Å; N303-Q345 PolarHBondContact ND2-O 2.91Å; N303-Q345 WeakPolarHBondContact OD1-CB 3.35Å; N303-Q345 WeakPolarHBondContact OD1-CG 3.41Å; N303-Q345 PolarHBondContact OD1-NE2 3.12Å; A304-Q345 HydrophobicContact CB-CG 3.48Å; A304-Q345 VanDerWaalsContact CB-CG 3.48Å; L341-Q345 VanDerWaalsContact O-CG 3.32Å; L341-Q345 WeakPolarHBondContact O-CG 3.43Å; L341-Q345 PolarHBondContact O-N 2.91Å; V342-Q345 WeakPolarHBondContact O-CB 3.47Å; V342-Q345 PolarHBondContact O-N 3.15Å; Q345-A349 PolarHBondContact O-N 3.44Å
346	I	96.7	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.6	-50.9	179.7	-65.1	158.4	0	0	0	110.2	F34 A52 L53 L56 I58 I136 V342 Q343 A344 I348 A349 E350	F34-I346 HydrophobicContact CD2-CG2 4.22Å; A52-I346 HydrophobicContact CB-CD1 4Å; L53-I346 HydrophobicContact CD2-CD1 3.8Å; L53-I346 HydrophobicContact CD2-CG1 4.42Å; L53-I346 HydrophobicContact CG-CD1 4.14Å; L56-I346 HydrophobicContact CD1-CB 3.97Å; L56-I346 HydrophobicContact CD1-CD1 4.06Å; L56-I346 HydrophobicContact CD1-CG2 3.76Å; I58-I346 HydrophobicContact CD1-CG2 3.76Å; I136-I346 HydrophobicContact CD1-CG1 4.15Å; V342-I346 HydrophobicContact CG1-CD1 4.16Å; V342-I346 WeakPolarHBondContact O-CD1 3.45Å; V342-I346 VanDerWaalsContact O-CG1 3.26Å; V342-I346 WeakPolarHBondContact O-CG1 3.41Å; V342-I346 PolarHBondContact O-N 3.37Å; Q343-I346 PolarHBondContact O-N 3.02Å; A344-I346 PolarHBondContact O-N 3.26Å; I346-I348 PolarHBondContact O-N 3.34Å; I346-A349 PolarHBondContact O-N 3.36Å; I346-A349 VanDerWaalsContact O-N 3.13Å; I346-E350 PolarHBondContact O-N 3Å
347	R	95.6	Very high	94.5	Very high	62 Å²	62	32.1 Å²	32.1	23%	0.234	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-34.2	-177.9	-70.7	-54.2	-163.5	-171.8	-7.3	113.5	L56 Q343 A344 E350 K352 L357	L56-R347 HydrophobicContact CD1-CG 4.41Å; Q343-R347 WeakPolarHBondContact O-CB 3.44Å; Q343-R347 VanDerWaalsContact O-CG 3.3Å; Q343-R347 WeakPolarHBondContact O-CG 3.27Å; Q343-R347 PolarHBondContact O-N 3.22Å; A344-R347 PolarHBondContact O-N 3.33Å; R347-E350 WeakPolarHBondContact CD-OE2 3.37Å; R347-E350 IonicContact CZ-OE2 3.15Å; R347-E350 IonicContact NE-OE2 2.9Å; R347-E350 IonicContact NH1-OE1 3.64Å; R347-E350 PolarHBondContact NH1-OE1 3.34Å; R347-E350 IonicContact NH1-OE2 2.67Å; R347-E350 PolarHBondContact NH1-OE2 2.67Å; R347-E350 PolarHBondContact O-N 2.79Å; R347-K352 HydrophobicContact CB-CD 4.2Å; R347-K352 WeakPolarHBondContact O-CB 3.46Å; R347-K352 PolarHBondContact O-N 3.43Å; R347-K352 VanDerWaalsContact O-N 3.11Å; R347-L357 HydrophobicContact CB-CD2 3.68Å; R347-L357 HydrophobicContact CG-CD2 4.13Å
348	I	94.8	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-45.4	172.4	-74.1	170.8	0	0	0	109.9	L247 D249 H250 A344 I346 E350 G351 I354 L357	L247-I348 HydrophobicContact CD1-CD1 3.63Å; L247-I348 HydrophobicContact CD2-CD1 4.08Å; L247-I348 HydrophobicContact CG-CD1 3.67Å; D249-I348 HydrophobicContact CB-CG2 4.45Å; H250-I348 PolarHBondContact CD2-O 3.01Å; H250-I348 PolarHBondContact NE2-O 3.01Å; H250-I348 VanDerWaalsContact NE2-O 3.14Å; A344-I348 WeakPolarHBondContact O-CB 3.36Å; A344-I348 VanDerWaalsContact O-CG1 3.3Å; A344-I348 WeakPolarHBondContact O-CG1 3.42Å; A344-I348 PolarHBondContact O-N 3.17Å; I346-I348 PolarHBondContact O-N 3.34Å; I348-E350 VanDerWaalsContact C-N 3.26Å; I348-E350 PolarHBondContact O-N 3.2Å; I348-G351 WeakPolarHBondContact O-CA 3.15Å; I348-G351 PolarHBondContact O-N 2.98Å; I348-I354 HydrophobicContact CD1-CG1 4.37Å; I348-L357 HydrophobicContact CD1-CD1 4.47Å; I348-L357 HydrophobicContact CG1-CD1 4.15Å
349	A	94.7	Very high	94	Very high	11 Å²	11	35.5 Å²	35.5	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-66.2	-22.6	178.3	0	0	0	0	0	114	F34 I136 Q345 I346 G351	F34-A349 HydrophobicContact CE2-CB 3.91Å; F34-A349 HydrophobicContact CZ-CB 4.07Å; F34-A349 VanDerWaalsContact CZ-O 3.29Å; F34-A349 WeakPolarHBondContact CZ-O 3.39Å; I136-A349 HydrophobicContact CB-CB 4.32Å; I136-A349 HydrophobicContact CG1-CB 3.99Å; I136-A349 HydrophobicContact CG2-CB 4.06Å; Q345-A349 PolarHBondContact O-N 3.44Å; I346-A349 PolarHBondContact O-N 3.36Å; I346-A349 VanDerWaalsContact O-N 3.13Å; A349-G351 PolarHBondContact O-N 3.44Å
350	E	94.7	Very high	93.8	Very high	13 Å²	13	37.1 Å²	37.1	6%	0.061	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.4	166.7	-66.2	-172	123.3	0	0	113.6	R31 R32 F34 I346 R347 I348	R31-E350 CarbonylContact C-O 3.54Å; R31-E350 WeakPolarHBondContact CA-O 3.4Å; R32-E350 PolarHBondContact N-O 3.49Å; R32-E350 WeakPolarHBondContact O-CA 3.38Å; R32-E350 WeakPolarHBondContact O-CB 3.23Å; R32-E350 WeakPolarHBondContact O-CG 3.31Å; F34-E350 HydrophobicContact CD2-CG 3.51Å; F34-E350 HydrophobicContact CE2-CB 4.48Å; F34-E350 HydrophobicContact CE2-CG 3.69Å; F34-E350 HydrophobicContact CG-CG 4.02Å; F34-E350 HydrophobicContact CZ-CG 4.32Å; F34-E350 PolarHBondContact N-OE1 3.39Å; I346-E350 PolarHBondContact O-N 3Å; R347-E350 WeakPolarHBondContact CD-OE2 3.37Å; R347-E350 IonicContact CZ-OE2 3.15Å; R347-E350 IonicContact NE-OE2 2.9Å; R347-E350 IonicContact NH1-OE1 3.64Å; R347-E350 PolarHBondContact NH1-OE1 3.34Å; R347-E350 IonicContact NH1-OE2 2.67Å; R347-E350 PolarHBondContact NH1-OE2 2.67Å; R347-E350 PolarHBondContact O-N 2.79Å; I348-E350 VanDerWaalsContact C-N 3.26Å; I348-E350 PolarHBondContact O-N 3.2Å
351	G	92.3	Very high	93.6	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.031	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	28.7	-175.4	0	0	0	0	0	114.8	Y251 I348 A349	Y251-G351 PolarHBondContact OH-O 3.13Å; I348-G351 WeakPolarHBondContact O-CA 3.15Å; I348-G351 PolarHBondContact O-N 2.98Å; A349-G351 PolarHBondContact O-N 3.44Å
352	K	92.2	Very high	93.2	Very high	64 Å²	64	45.1 Å²	45.1	28%	0.278	22%	0.221	S	C	.	.			trans	-82.5	144.6	165	-65.2	-161.4	-178.6	-175.2	0	111.2	R347 E356 L357	R347-K352 HydrophobicContact CB-CD 4.2Å; R347-K352 WeakPolarHBondContact O-CB 3.46Å; R347-K352 PolarHBondContact O-N 3.43Å; R347-K352 VanDerWaalsContact O-N 3.11Å; K352-E356 HydrophobicContact CB-CB 4.39Å; K352-L357 HydrophobicContact CB-CD2 4.37Å; K352-L357 HydrophobicContact CD-CD2 3.89Å
353	S	92.2	Very high	92.7	Very high	17 Å²	17	48 Å²	48	12%	0.119	24%	0.241	C	C	.	.			trans	-79.7	159.6	167.5	66.2	0	0	0	0	111.9	D249 K355 E356 L357	D249-S353 VanDerWaalsContact OD2-CA 3.25Å; D249-S353 WeakPolarHBondContact OD2-CA 3.31Å; D249-S353 WeakPolarHBondContact OD2-CB 3.49Å; S353-K355 PolarHBondContact O-N 3.48Å; S353-E356 PolarHBondContact N-OE2 2.82Å; S353-E356 WeakPolarHBondContact O-CA 3.42Å; S353-E356 WeakPolarHBondContact O-CB 3.42Å; S353-E356 PolarHBondContact O-N 3.26Å; S353-E356 VanDerWaalsContact OG-CG 3.28Å; S353-E356 WeakPolarHBondContact OG-CG 3.45Å; S353-E356 PolarHBondContact OG-N 2.71Å; S353-E356 PolarHBondContact OG-OE2 3.4Å; S353-E356 VanDerWaalsContact OG-OE2 3.13Å; S353-L357 PolarHBondContact O-N 3.13Å
354	I	91.4	Very high	92.5	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.041	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35.8	174.3	-87.4	164	0	0	0	112	L247 D249 N253 L255 I348 E356 L357 L359	L247-I354 WeakPolarHBondContact O-CD1 3.32Å; D249-I354 HydrophobicContact CB-CD1 4.24Å; D249-I354 HydrophobicContact CB-CG1 4.14Å; D249-I354 PolarHBondContact OD2-N 3.09Å; N253-I354 HydrophobicContact CB-CB 4.32Å; N253-I354 HydrophobicContact CB-CD1 4.2Å; N253-I354 WeakPolarHBondContact O-CD1 3.32Å; L255-I354 HydrophobicContact CD2-CG2 3.67Å; L255-I354 HydrophobicContact CG-CD1 4.34Å; I348-I354 HydrophobicContact CD1-CG1 4.37Å; I354-E356 VanDerWaalsContact C-N 3.29Å; I354-E356 PolarHBondContact O-N 3.3Å; I354-L357 PolarHBondContact O-N 3.24Å; I354-L359 HydrophobicContact CG2-CB 4.06Å; I354-L359 WeakPolarHBondContact CG2-O 3.29Å; I354-L359 PolarHBondContact O-N 3.39Å
355	K	88.6	Confident	92.3	Very high	148 Å²	148	49 Å²	49	64%	0.643	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-67.9	-25.7	175.2	-71.3	-176.2	176.9	178.6	0	113.5	S353 L357 D358	S353-K355 PolarHBondContact O-N 3.48Å; K355-L357 PolarHBondContact O-N 3.46Å; K355-D358 PolarHBondContact O-N 2.87Å
356	E	91	Very high	92.2	Very high	86 Å²	86	50.7 Å²	50.7	40%	0.402	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-87.1	6.8	176.7	-66.7	171.7	137.3	0	0	113	R31 K352 S353 I354	R31-E356 IonicContact CZ-OE1 3.24Å; R31-E356 IonicContact NH2-OE1 3.29Å; R31-E356 PolarHBondContact NH2-OE1 3.21Å; R31-E356 IonicContact NH2-OE2 3.61Å; R31-E356 PolarHBondContact NH2-OE2 3.04Å; K352-E356 HydrophobicContact CB-CB 4.39Å; S353-E356 PolarHBondContact N-OE2 2.82Å; S353-E356 WeakPolarHBondContact O-CA 3.42Å; S353-E356 WeakPolarHBondContact O-CB 3.42Å; S353-E356 PolarHBondContact O-N 3.26Å; S353-E356 VanDerWaalsContact OG-CG 3.28Å; S353-E356 WeakPolarHBondContact OG-CG 3.45Å; S353-E356 PolarHBondContact OG-N 2.71Å; S353-E356 PolarHBondContact OG-OE2 3.4Å; S353-E356 VanDerWaalsContact OG-OE2 3.13Å; I354-E356 VanDerWaalsContact C-N 3.29Å; I354-E356 PolarHBondContact O-N 3.3Å
357	L	90.5	Very high	92.1	Very high	37 Å²	37	55 Å²	55	19%	0.194	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-107.6	10.5	164.4	-52.4	-179.3	0	0	0	111.2	A344 R347 I348 K352 S353 I354 K355 L359	A344-L357 HydrophobicContact CB-CD1 4.11Å; R347-L357 HydrophobicContact CB-CD2 3.68Å; R347-L357 HydrophobicContact CG-CD2 4.13Å; I348-L357 HydrophobicContact CD1-CD1 4.47Å; I348-L357 HydrophobicContact CG1-CD1 4.15Å; K352-L357 HydrophobicContact CB-CD2 4.37Å; K352-L357 HydrophobicContact CD-CD2 3.89Å; S353-L357 PolarHBondContact O-N 3.13Å; I354-L357 PolarHBondContact O-N 3.24Å; K355-L357 PolarHBondContact O-N 3.46Å; L357-L359 HydrophobicContact CB-CD1 4.22Å; L357-L359 HydrophobicContact CB-CG 3.97Å; L357-L359 PolarHBondContact O-N 2.85Å; L357-L359 VanDerWaalsContact O-N 3.15Å
358	D	90.2	Very high	92.1	Very high	145 Å²	145	53.4 Å²	53.4	78%	0.775	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	21.7	-172.2	-62.2	-52.3	0	0	0	114.5	K355	K355-D358 PolarHBondContact O-N 2.87Å
359	L	91.6	Very high	92.2	Very high	19 Å²	19	53.7 Å²	53.7	10%	0.099	29%	0.293	C	S	.	.			trans	-92.6	133.2	180	-59.8	-175.1	0	0	0	112.1	L247 L255 I339 I354 L357	L247-L359 HydrophobicContact CD2-CD1 3.93Å; L255-L359 HydrophobicContact CD2-CB 3.81Å; L255-L359 HydrophobicContact CD2-CD1 4.45Å; I339-L359 HydrophobicContact CD1-CD2 3.6Å; I339-L359 HydrophobicContact CG1-CD2 3.93Å; I339-L359 HydrophobicContact CG2-CD1 4.16Å; I339-L359 HydrophobicContact CG2-CD2 4.47Å; I354-L359 HydrophobicContact CG2-CB 4.06Å; I354-L359 WeakPolarHBondContact CG2-O 3.29Å; I354-L359 PolarHBondContact O-N 3.39Å; L357-L359 HydrophobicContact CB-CD1 4.22Å; L357-L359 HydrophobicContact CB-CG 3.97Å; L357-L359 PolarHBondContact O-N 2.85Å; L357-L359 VanDerWaalsContact O-N 3.15Å
360	T	92.3	Very high	92.4	Very high	59 Å²	59	53.2 Å²	53.2	36%	0.362	29%	0.288	S	S	.	.			trans	-141.1	156.3	171.5	66.3	0	0	0	0	108.6	Q362 S363 V364	T360-Q362 PolarHBondContact O-N 2.83Å; T360-Q362 VanDerWaalsContact O-N 3.09Å; T360-S363 PolarHBondContact N-OG 2.58Å; T360-S363 PolarHBondContact O-N 3.05Å; T360-S363 VanDerWaalsContact O-N 3.09Å; T360-S363 PolarHBondContact O-OG 3.27Å; T360-S363 WeakPolarHBondContact OG1-CB 3.42Å; T360-S363 PolarHBondContact OG1-N 2.87Å; T360-S363 VanDerWaalsContact OG1-N 3.1Å; T360-S363 PolarHBondContact OG1-OG 3.12Å; T360-V364 WeakPolarHBondContact O-CG2 3.08Å; T360-V364 PolarHBondContact O-N 2.74Å
361	Q	92.8	Very high	92.5	Very high	51 Å²	51	52.6 Å²	52.6	24%	0.238	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.2	-179.5	-166.2	59	84.9	0	0	112.8	H256	H256-Q361 PolarHBondContact CD2-OE1 3.16Å; H256-Q361 PolarHBondContact CE1-NE2 3.32Å; H256-Q361 PolarHBondContact ND1-NE2 3.31Å; H256-Q361 PolarHBondContact O-NE2 3.14Å
362	Q	88.6	Confident	92.8	Very high	160 Å²	160	52.4 Å²	52.4	75%	0.748	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-25.7	176.8	-61.4	80.4	3.5	0	0	114	T360	T360-Q362 PolarHBondContact O-N 2.83Å; T360-Q362 VanDerWaalsContact O-N 3.09Å
363	S	87.5	Confident	93.1	Very high	61 Å²	61	49.4 Å²	49.4	43%	0.427	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-25	176.6	53.2	0	0	0	0	112.8	T360 T365	T360-S363 PolarHBondContact N-OG 2.58Å; T360-S363 PolarHBondContact O-N 3.05Å; T360-S363 VanDerWaalsContact O-N 3.09Å; T360-S363 PolarHBondContact O-OG 3.27Å; T360-S363 WeakPolarHBondContact OG1-CB 3.42Å; T360-S363 PolarHBondContact OG1-N 2.87Å; T360-S363 VanDerWaalsContact OG1-N 3.1Å; T360-S363 PolarHBondContact OG1-OG 3.12Å; S363-T365 PolarHBondContact O-N 3.43Å
364	V	92.4	Very high	93.2	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.012	27%	0.274	C	S	.	.			trans	-71.2	111.1	170.9	-177.8	0	0	0	0	109.8	L255 L257 Y258 T337 I339 T360	L255-V364 HydrophobicContact CD2-CG2 4.46Å; L257-V364 HydrophobicContact CD2-CB 4.42Å; L257-V364 HydrophobicContact CD2-CG1 3.72Å; L257-V364 HydrophobicContact CD2-CG2 3.71Å; Y258-V364 HydrophobicContact CD2-CG1 3.95Å; Y258-V364 HydrophobicContact CE2-CG1 4.04Å; Y258-V364 WeakPolarHBondContact CE2-O 3.37Å; T337-V364 HydrophobicContact CG2-CG1 4.11Å; I339-V364 HydrophobicContact CD1-CG2 3.82Å; T360-V364 WeakPolarHBondContact O-CG2 3.08Å; T360-V364 PolarHBondContact O-N 2.74Å
365	T	92	Very high	93.3	Very high	79 Å²	79	50.5 Å²	50.5	49%	0.485	27%	0.272	S	S	.	.			trans	-139.3	137.1	170.9	46.1	0	0	0	0	110.3	S363	S363-T365 PolarHBondContact O-N 3.43Å
366	P	94.3	Very high	93.5	Very high	39 Å²	39	44 Å²	44	25%	0.253	24%	0.244	S	C	.	.			trans	-79.9	122.9	-179.6	30.4	-33.3	0	0	0	111.2	Y258 P276 V336	Y258-P366 HydrophobicContact CD1-CG 3.99Å; Y258-P366 HydrophobicContact CD2-CG 4.37Å; Y258-P366 HydrophobicContact CE1-CG 4.06Å; Y258-P366 HydrophobicContact CE2-CG 4.45Å; Y258-P366 HydrophobicContact CG-CG 4.15Å; P276-P366 HydrophobicContact CB-CB 4.49Å; P276-P366 HydrophobicContact CG-CB 4.28Å; P276-P366 HydrophobicContact CG-CG 4.49Å; V336-P366 HydrophobicContact CB-CB 4.23Å; V336-P366 HydrophobicContact CG2-CB 4.06Å; V336-P366 CarbonylContact O-C 3.58Å; V336-P366 WeakPolarHBondContact O-CA 3.38Å
367	V	94.9	Very high	93.6	Very high	92 Å²	92	39.9 Å²	39.9	56%	0.558	23%	0.225	S	C	*	.			trans	-100.4	106.2	178.2	-178.1	0	0	0	0	109.9	V336 H429	V336-V367 PolarHBondContact O-N 3.45Å; V367-H429 PolarHBondContact O-NE2 3.35Å
368	G	95.1	Very high	93.5	Very high	27 Å²	27	39.6 Å²	39.6	28%	0.278	22%	0.223	S	C	.	.	S	Bend	trans	78	-138.9	177.5	0	0	0	0	0	112.8	P276 S430	P276-G368 WeakPolarHBondContact CD-O 3.45Å; G368-S430 CarbonylContact C-O 3.59Å; G368-S430 VanDerWaalsContact CA-O 3.31Å; G368-S430 WeakPolarHBondContact CA-O 3.4Å
369	S	97	Very high	93.4	Very high	7 Å²	7	34 Å²	34	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.5	175	-176.4	0	0	0	0	111	A275 H429 S430 T436	A275-S369 CarbonylContact O-C 3.52Å; A275-S369 WeakPolarHBondContact O-CA 3.19Å; A275-S369 WeakPolarHBondContact O-CB 3.42Å; A275-S369 PolarHBondContact O-OG 2.94Å; S369-H429 WeakPolarHBondContact O-CA 3.48Å; S369-H429 PolarHBondContact O-CD2 2.94Å; S369-S430 PolarHBondContact N-O 3.15Å; S369-S430 PolarHBondContact O-N 2.81Å; S369-T436 PolarHBondContact O-OG1 2.83Å
370	A	98.4	Very high	93	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.4	171.1	0	0	0	0	0	111.1	I274 A275 V332 E335 V336 I427 A428	I274-A370 CarbonylContact C-O 3.56Å; I274-A370 WeakPolarHBondContact CA-O 3.33Å; A275-A370 PolarHBondContact N-O 3.25Å; A275-A370 PolarHBondContact O-N 3.13Å; V332-A370 HydrophobicContact CB-CB 3.85Å; V332-A370 HydrophobicContact CG1-CB 3.89Å; E335-A370 HydrophobicContact CB-CB 3.74Å; E335-A370 HydrophobicContact CG-CB 4.4Å; V336-A370 HydrophobicContact CG1-CB 3.77Å; A370-I427 HydrophobicContact CB-CG2 4.38Å; A370-A428 CarbonylContact C-O 3.55Å; A370-A428 WeakPolarHBondContact CA-O 3.41Å
371	I	98.3	Very high	92.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.6	175.2	-60.9	172.6	0	0	0	108	V272 E273 I274 I427 A428 Y433 T436 I437 M440 F468	V272-I371 HydrophobicContact CG1-CG2 3.67Å; E273-I371 CarbonylContact O-C 3.54Å; E273-I371 WeakPolarHBondContact O-CA 3.38Å; I274-I371 HydrophobicContact CG1-CG1 4.37Å; I274-I371 HydrophobicContact CG2-CG1 4.23Å; I371-I427 CarbonylContact O-C 3.43Å; I371-I427 VanDerWaalsContact O-CA 3.32Å; I371-I427 WeakPolarHBondContact O-CA 3.49Å; I371-A428 PolarHBondContact N-O 2.91Å; I371-A428 PolarHBondContact O-N 2.63Å; I371-Y433 HydrophobicContact CD1-CD2 4.14Å; I371-Y433 HydrophobicContact CD1-CE2 3.77Å; I371-Y433 HydrophobicContact CG1-CE2 4.26Å; I371-T436 HydrophobicContact CB-CG2 4.1Å; I371-T436 HydrophobicContact CD1-CG2 3.89Å; I371-T436 HydrophobicContact CG1-CG2 3.71Å; I371-I437 HydrophobicContact CD1-CG1 3.64Å; I371-M440 HydrophobicContact CB-CE 4.43Å; I371-M440 HydrophobicContact CG2-CE 4.27Å; I371-M440 WeakPolarHBondContact O-CE 2.96Å; I371-F468 HydrophobicContact CD1-CE1 4.39Å; I371-F468 HydrophobicContact CD1-CZ 4.46Å
372	Q	98.3	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	143	168.1	176	170.4	-100.6	0	0	110.5	V272 E273 V328 T331 V332 K425 I426 I427	V272-Q372 WeakPolarHBondContact CA-O 3.31Å; V272-Q372 WeakPolarHBondContact CG1-O 3.22Å; E273-Q372 PolarHBondContact N-O 3.39Å; E273-Q372 PolarHBondContact O-N 3.01Å; E273-Q372 WeakPolarHBondContact OE2-CG 3.45Å; E273-Q372 PolarHBondContact OE2-NE2 3.2Å; V328-Q372 PolarHBondContact O-NE2 2.85Å; T331-Q372 PolarHBondContact OG1-OE1 3.46Å; V332-Q372 HydrophobicContact CG1-CB 3.7Å; V332-Q372 VanDerWaalsContact CG1-N 3.33Å; Q372-K425 HydrophobicContact CG-CB 4.5Å; Q372-I426 WeakPolarHBondContact CA-O 3.44Å; Q372-I427 HydrophobicContact CB-CG1 3.9Å; Q372-I427 HydrophobicContact CG-CG1 3.93Å
373	C	96.8	Very high	91.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.1	166.9	-71.2	0	0	0	0	109.5	I426 M440 L459	C373-I426 HydrophobicContact CB-CG2 4.05Å; C373-I426 PolarHBondContact N-O 3.18Å; C373-I426 PolarHBondContact O-N 3.12Å; C373-M440 HydrophobicContact CB-CE 4.14Å; C373-M440 HydrophobicContact CB-SD 4.11Å; C373-L459 HydrophobicContact CB-CD1 4.13Å; C373-L459 HydrophobicContact CB-CD2 4.23Å
374	R	94.6	Very high	91.2	Very high	48 Å²	48	30.8 Å²	30.8	18%	0.181	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	108.3	178.1	-52.7	177.2	-163.4	-137.3	-4.5	108.8	E273 E329 T376 L422 N455	E273-R374 VanDerWaalsContact CD-NH2 3.27Å; E273-R374 IonicContact OE1-CZ 3.24Å; E273-R374 IonicContact OE1-NE 3.02Å; E273-R374 PolarHBondContact OE1-NE 3.17Å; E273-R374 IonicContact OE1-NH2 2.64Å; E273-R374 PolarHBondContact OE1-NH2 2.72Å; E273-R374 IonicContact OE2-NE 3.42Å; E273-R374 IonicContact OE2-NH2 2.65Å; E329-R374 IonicContact OE1-NH2 2.94Å; E329-R374 IonicContact OE2-CZ 2.74Å; E329-R374 IonicContact OE2-NH2 3.28Å; E329-R374 PolarHBondContact OE2-NH2 3.17Å; R374-T376 PolarHBondContact O-N 2.96Å; R374-L422 HydrophobicContact CB-CD1 4.22Å; R374-N455 PolarHBondContact O-ND2 3.27Å; R374-N455 PolarHBondContact O-OD1 2.87Å
375	V	94.1	Very high	90.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.6	175.6	-178.9	0	0	0	0	108.9	L423 V424 I426 L444 F447 T454 N455 V456 L459	V375-L423 HydrophobicContact CG1-CD1 4.43Å; V375-L423 WeakPolarHBondContact O-CB 3.48Å; V375-L423 PolarHBondContact O-N 3Å; V375-V424 HydrophobicContact CB-CG1 3.83Å; V375-V424 WeakPolarHBondContact CB-O 3.44Å; V375-V424 HydrophobicContact CG1-CG1 4.33Å; V375-V424 HydrophobicContact CG2-CG1 4.31Å; V375-V424 PolarHBondContact N-O 2.92Å; V375-V424 PolarHBondContact O-N 3.3Å; V375-I426 HydrophobicContact CG2-CG2 4.12Å; V375-L444 HydrophobicContact CG2-CD2 3.99Å; V375-F447 HydrophobicContact CG2-CE2 4.4Å; V375-F447 HydrophobicContact CG2-CZ 4.38Å; V375-T454 HydrophobicContact CG1-CG2 4.39Å; V375-N455 WeakPolarHBondContact CA-OD1 3.24Å; V375-V456 HydrophobicContact CG1-CG2 3.75Å; V375-V456 HydrophobicContact CG2-CG2 4.32Å; V375-L459 HydrophobicContact CG2-CD1 4.33Å
376	T	93.4	Very high	90.3	Very high	11 Å²	11	31.8 Å²	31.8	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	166	-176.5	66.5	0	0	0	0	111.7	R374 E378 S421 T454 N455	R374-T376 PolarHBondContact O-N 2.96Å; T376-E378 WeakPolarHBondContact CB-OE2 3.32Å; T376-E378 WeakPolarHBondContact CG2-OE2 3.16Å; T376-E378 WeakPolarHBondContact OG1-CB 3.28Å; T376-E378 WeakPolarHBondContact OG1-CG 3.42Å; T376-E378 PolarHBondContact OG1-N 3.21Å; T376-E378 PolarHBondContact OG1-OE2 3.15Å; T376-S421 CarbonylContact C-O 3.59Å; T376-S421 WeakPolarHBondContact CA-O 3.28Å; T376-S421 WeakPolarHBondContact CB-O 3.38Å; T376-T454 WeakPolarHBondContact O-CA 3.41Å; T376-T454 WeakPolarHBondContact O-CB 3.46Å; T376-N455 PolarHBondContact N-OD1 2.78Å; T376-N455 VanDerWaalsContact N-OD1 3.08Å; T376-N455 PolarHBondContact O-N 3.06Å; T376-N455 VanDerWaalsContact OG1-CG 3.26Å; T376-N455 PolarHBondContact OG1-ND2 3.41Å; T376-N455 VanDerWaalsContact OG1-ND2 3.1Å
377	T	92.2	Very high	89.8	Confident	1 Å²	1	32 Å²	32	1%	0.006	19%	0.19	C	C	.	.	S	Bend	trans	-81	4.6	169.7	63.7	0	0	0	0	114.3	D379 D387 I415 S421 L423 V452 K453	T377-D379 PolarHBondContact O-N 2.77Å; T377-D387 VanDerWaalsContact CB-O 3.22Å; T377-D387 WeakPolarHBondContact CB-O 3Å; T377-D387 VanDerWaalsContact O-CB 3.3Å; T377-D387 WeakPolarHBondContact O-CB 3.39Å; T377-D387 PolarHBondContact O-N 3.4Å; T377-D387 PolarHBondContact OG1-O 3.18Å; T377-I415 HydrophobicContact CG2-CG1 4.3Å; T377-I415 HydrophobicContact CG2-CG2 4.08Å; T377-S421 PolarHBondContact N-O 2.88Å; T377-L423 HydrophobicContact CG2-CD1 4.07Å; T377-L423 HydrophobicContact CG2-CD2 3.57Å; T377-L423 HydrophobicContact CG2-CG 3.8Å; T377-V452 HydrophobicContact CG2-CB 4.37Å; T377-V452 HydrophobicContact CG2-CG2 3.93Å; T377-K453 WeakPolarHBondContact CA-O 3.41Å
378	E	89.5	Confident	89.3	Confident	30 Å²	30	29.3 Å²	29.3	14%	0.14	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	126.8	176.1	-65.2	167.6	106.5	0	0	110.4	R266 T376 P380 F384 Q385 P386 T454 N455	R266-E378 IonicContact NH2-OE1 2.79Å; R266-E378 PolarHBondContact NH2-OE1 3.49Å; T376-E378 WeakPolarHBondContact CB-OE2 3.32Å; T376-E378 WeakPolarHBondContact CG2-OE2 3.16Å; T376-E378 WeakPolarHBondContact OG1-CB 3.28Å; T376-E378 WeakPolarHBondContact OG1-CG 3.42Å; T376-E378 PolarHBondContact OG1-N 3.21Å; T376-E378 PolarHBondContact OG1-OE2 3.15Å; E378-P380 VanDerWaalsContact O-CD 3.25Å; E378-P380 WeakPolarHBondContact O-CD 3.27Å; E378-F384 HydrophobicContact CB-CB 3.85Å; E378-F384 HydrophobicContact CB-CD1 4.08Å; E378-F384 HydrophobicContact CB-CG 4.38Å; E378-F384 HydrophobicContact CG-CB 4.24Å; E378-Q385 WeakPolarHBondContact CA-O 3.4Å; E378-P386 HydrophobicContact CG-CG 4.47Å; E378-T454 CarbonylContact O-C 3.55Å; E378-T454 VanDerWaalsContact O-C 3.27Å; E378-N455 PolarHBondContact O-N 3.37Å
379	D	87.5	Confident	88.8	Confident	28 Å²	28	29.3 Å²	29.3	15%	0.15	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	110.9	171.4	-171.1	-24.8	0	0	0	109.8	T377 G381 M382 F384 Q385 K453	T377-D379 PolarHBondContact O-N 2.77Å; D379-G381 PolarHBondContact O-N 3.39Å; D379-G381 WeakPolarHBondContact OD1-CA 3.34Å; D379-G381 PolarHBondContact OD1-N 3.07Å; D379-M382 HydrophobicContact CB-CB 4.23Å; D379-M382 CarbonylContact O-C 3.57Å; D379-M382 PolarHBondContact O-N 3Å; D379-F384 VanDerWaalsContact O-CA 3.22Å; D379-F384 WeakPolarHBondContact O-CA 3.46Å; D379-F384 PolarHBondContact O-N 3.46Å; D379-Q385 PolarHBondContact N-O 2.95Å; D379-K453 HydrophobicContact CB-CB 3.84Å; D379-K453 HydrophobicContact CB-CG 4Å; D379-K453 WeakPolarHBondContact OD2-CD 3.48Å; D379-K453 VanDerWaalsContact OD2-CG 3.3Å; D379-K453 WeakPolarHBondContact OD2-CG 3.41Å; D379-K453 IonicContact OD2-NZ 2.59Å; D379-K453 PolarHBondContact OD2-NZ 3.11Å
380	P	84.1	Confident	88.2	Confident	9 Å²	9	33.2 Å²	33.2	6%	0.058	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-63.3	-24.1	-179.3	-25	39.1	0	0	0	113.7	E378 M382 F384 N455 F458 F487	E378-P380 VanDerWaalsContact O-CD 3.25Å; E378-P380 WeakPolarHBondContact O-CD 3.27Å; P380-M382 VanDerWaalsContact C-N 3.33Å; P380-F384 HydrophobicContact CB-CD2 4.24Å; P380-F384 HydrophobicContact CB-CE1 4.37Å; P380-F384 HydrophobicContact CB-CE2 3.75Å; P380-F384 HydrophobicContact CB-CZ 3.84Å; P380-F384 HydrophobicContact CG-CE1 4.25Å; P380-F384 HydrophobicContact CG-CE2 4.48Å; P380-F384 HydrophobicContact CG-CZ 4.18Å; P380-N455 HydrophobicContact CG-CB 4.25Å; P380-F458 HydrophobicContact CB-CB 4.09Å; P380-F458 HydrophobicContact CG-CB 3.82Å; P380-F487 HydrophobicContact CB-CE1 3.92Å; P380-F487 HydrophobicContact CB-CE2 3.62Å; P380-F487 HydrophobicContact CB-CZ 3.23Å; P380-F487 HydrophobicContact CG-CZ 4.32Å
381	G	79.2	Confident	87.6	Confident	53 Å²	53	33.2 Å²	33.2	55%	0.546	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-73.4	-23.4	174.5	0	0	0	0	0	113.5	D379	D379-G381 PolarHBondContact O-N 3.39Å; D379-G381 WeakPolarHBondContact OD1-CA 3.34Å; D379-G381 PolarHBondContact OD1-N 3.07Å
382	M	78.7	Confident	86.9	Confident	109 Å²	109	35.5 Å²	35.5	54%	0.537	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-105.3	43.2	174.4	-63.7	-64.6	-68.8	0	0	111	D379 P380 F384 Q385	D379-M382 HydrophobicContact CB-CB 4.23Å; D379-M382 CarbonylContact O-C 3.57Å; D379-M382 PolarHBondContact O-N 3Å; P380-M382 VanDerWaalsContact C-N 3.33Å; M382-F384 PolarHBondContact O-N 3.17Å; M382-F384 VanDerWaalsContact O-N 3.1Å; M382-Q385 HydrophobicContact CB-CB 4.35Å; M382-Q385 WeakPolarHBondContact O-CB 3.29Å; M382-Q385 PolarHBondContact O-N 3.34Å
383	N	80.8	Confident	86.2	Confident	103 Å²	103	36 Å²	36	55%	0.551	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	29.1	177.9	-169.7	26.7	0	0	0	114.3	R266	R266-N383 PolarHBondContact NH1-O 3.48Å; R266-N383 VanDerWaalsContact NH1-O 3.13Å
384	F	82.9	Confident	85.8	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.035	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	36.9	-175.5	-61.3	-119.6	0	0	0	113	R266 E378 D379 P380 M382 F458 F485	R266-F384 VanDerWaalsContact CZ-CB 3.47Å; R266-F384 VanDerWaalsContact NH2-CB 3.29Å; E378-F384 HydrophobicContact CB-CB 3.85Å; E378-F384 HydrophobicContact CB-CD1 4.08Å; E378-F384 HydrophobicContact CB-CG 4.38Å; E378-F384 HydrophobicContact CG-CB 4.24Å; D379-F384 VanDerWaalsContact O-CA 3.22Å; D379-F384 WeakPolarHBondContact O-CA 3.46Å; D379-F384 PolarHBondContact O-N 3.46Å; P380-F384 HydrophobicContact CB-CD2 4.24Å; P380-F384 HydrophobicContact CB-CE1 4.37Å; P380-F384 HydrophobicContact CB-CE2 3.75Å; P380-F384 HydrophobicContact CB-CZ 3.84Å; P380-F384 HydrophobicContact CG-CE1 4.25Å; P380-F384 HydrophobicContact CG-CE2 4.48Å; P380-F384 HydrophobicContact CG-CZ 4.18Å; M382-F384 PolarHBondContact O-N 3.17Å; M382-F384 VanDerWaalsContact O-N 3.1Å; F384-F458 AromaticContact CE1-CD1 3.8Å; F384-F458 HydrophobicContact CE1-CD1 3.8Å; F384-F458 HydrophobicContact CE1-CE1 4.1Å; F384-F458 HydrophobicContact CE1-CG 4.11Å; F384-F458 HydrophobicContact CZ-CB 4.16Å; F384-F458 AromaticContact CZ-CD1 3.64Å; F384-F458 HydrophobicContact CZ-CD1 3.64Å; F384-F458 AromaticContact CZ-CD2 3.74Å; F384-F458 HydrophobicContact CZ-CD2 3.74Å; F384-F458 AromaticContact CZ-CE1 3.86Å; F384-F458 HydrophobicContact CZ-CE1 3.86Å; F384-F458 AromaticContact CZ-CE2 3.94Å; F384-F458 HydrophobicContact CZ-CE2 3.94Å; F384-F458 AromaticContact CZ-CG 3.57Å; F384-F458 HydrophobicContact CZ-CG 3.57Å; F384-F458 HydrophobicContact CZ-CZ 4Å; F384-F485 HydrophobicContact CE2-CD1 4.14Å; F384-F485 AromaticContact CE2-CE1 3.75Å; F384-F485 HydrophobicContact CE2-CE1 3.75Å; F384-F485 HydrophobicContact CZ-CE1 4.4Å
385	Q	80.5	Confident	85.5	Confident	40 Å²	40	40.6 Å²	40.6	19%	0.187	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.9	164	-169.3	-165.4	-66.4	0	0	109.5	E378 D379 M382 D387 P1113 M1114	E378-Q385 WeakPolarHBondContact CA-O 3.4Å; D379-Q385 PolarHBondContact N-O 2.95Å; M382-Q385 HydrophobicContact CB-CB 4.35Å; M382-Q385 WeakPolarHBondContact O-CB 3.29Å; M382-Q385 PolarHBondContact O-N 3.34Å; Q385-D387 PolarHBondContact O-N 3.1Å; Q385-P1113 PolarHBondContact NE2-O 2.99Å; Q385-P1113 VanDerWaalsContact OE1-C 3.31Å; Q385-P1113 PolarHBondContact OE1-O 2.95Å; Q385-M1114 HydrophobicContact CG-CB 4.35Å
386	P	85.2	Confident	85.3	Confident	62 Å²	62	41.5 Å²	41.5	40%	0.403	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	128.8	171.2	-25.6	36	0	0	0	112	E378	E378-P386 HydrophobicContact CG-CG 4.47Å
387	D	84.7	Confident	85.1	Confident	45 Å²	45	41 Å²	41	24%	0.241	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-87.2	154.2	166.3	-168.5	19.4	0	0	0	110.8	T377 Q385 V452 K453	T377-D387 VanDerWaalsContact CB-O 3.22Å; T377-D387 WeakPolarHBondContact CB-O 3Å; T377-D387 VanDerWaalsContact O-CB 3.3Å; T377-D387 WeakPolarHBondContact O-CB 3.39Å; T377-D387 PolarHBondContact O-N 3.4Å; T377-D387 PolarHBondContact OG1-O 3.18Å; Q385-D387 PolarHBondContact O-N 3.1Å; D387-V452 VanDerWaalsContact OD2-CA 3.23Å; D387-V452 WeakPolarHBondContact OD2-CA 3.42Å; D387-K453 HydrophobicContact CB-CB 3.95Å; D387-K453 HydrophobicContact CB-CG 4.28Å; D387-K453 WeakPolarHBondContact OD2-CG 3.49Å; D387-K453 PolarHBondContact OD2-N 2.88Å
388	S	84.6	Confident	85	Confident	35 Å²	35	47 Å²	47	25%	0.245	25%	0.251	C	S	.	.			trans	-146.2	144.9	-172.9	65.1	0	0	0	0	111.2
389	G	84.7	Confident	85.3	Confident	26 Å²	26	47.8 Å²	47.8	27%	0.268	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-164.9	-175.2	0	0	0	0	0	113	I414 I415	G389-I414 WeakPolarHBondContact O-CA 3.22Å; G389-I415 PolarHBondContact N-O 2.94Å; G389-I415 PolarHBondContact O-N 2.92Å
390	R	83.8	Confident	85.7	Confident	89 Å²	89	54.6 Å²	54.6	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.6	-175.6	-168.5	-179.8	-177	-158.1	0.8	111.5	E392 A413 I414 G451 E1073	R390-E392 PolarHBondContact O-N 2.86Å; R390-A413 CarbonylContact C-O 3.49Å; R390-A413 VanDerWaalsContact CA-O 3.31Å; R390-A413 WeakPolarHBondContact CA-O 3.25Å; R390-I414 HydrophobicContact CB-CG1 4.48Å; R390-I414 HydrophobicContact CG-CG1 4.38Å; R390-G451 VanDerWaalsContact O-CA 3.3Å; R390-G451 WeakPolarHBondContact O-CA 3.15Å; R390-E1073 IonicContact CZ-OE1 3.98Å; R390-E1073 IonicContact NH1-OE1 2.67Å; R390-E1073 PolarHBondContact NH1-OE1 2.84Å; R390-E1073 IonicContact NH2-OE1 3.74Å; R390-E1073 PolarHBondContact NH2-OE1 3Å
391	I	86.6	Confident	86.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.31	C	S	.	.			trans	-77.2	106.7	174	-61.2	-177	0	0	0	109.2	V393 F394 A409 G412 A413 I415 L423 V449 R450 V452	I391-V393 WeakPolarHBondContact CG2-O 3.38Å; I391-F394 HydrophobicContact CG2-CB 3.99Å; I391-A409 HydrophobicContact CD1-CB 4.23Å; I391-G412 PolarHBondContact O-N 3.19Å; I391-A413 HydrophobicContact CD1-CB 4.34Å; I391-A413 PolarHBondContact N-O 3.08Å; I391-I415 HydrophobicContact CD1-CD1 3.94Å; I391-I415 HydrophobicContact CD1-CG1 3.87Å; I391-I415 HydrophobicContact CG1-CG1 4.1Å; I391-L423 HydrophobicContact CD1-CD2 3.79Å; I391-V449 HydrophobicContact CG2-CG1 4.45Å; I391-R450 CarbonylContact C-O 3.44Å; I391-R450 WeakPolarHBondContact CA-O 3.2Å; I391-V452 HydrophobicContact CG1-CG2 4.08Å
392	E	82.1	Confident	87.1	Confident	49 Å²	49	54 Å²	54	23%	0.229	29%	0.29	C	S	.	.	S	Bend	trans	-71.5	-36.2	177	-63.7	178	161.3	0	0	112.5	R390 R450 Q495 F1085	R390-E392 PolarHBondContact O-N 2.86Å; E392-R450 HydrophobicContact CB-CB 4.08Å; E392-R450 PolarHBondContact N-O 2.84Å; E392-Q495 PolarHBondContact OE2-NE2 2.93Å; E392-F1085 WeakPolarHBondContact OE1-CD1 3.44Å
393	V	84.1	Confident	88	Confident	9 Å²	9	50.8 Å²	50.8	6%	0.055	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-140.2	134.6	-179.3	-174.5	0	0	0	0	108.5	I391 R448 V449 R450	I391-V393 WeakPolarHBondContact CG2-O 3.38Å; V393-R448 CarbonylContact C-O 3.6Å; V393-R448 HydrophobicContact CG1-CB 4.4Å; V393-V449 CarbonylContact O-C 3.56Å; V393-V449 VanDerWaalsContact O-CA 3.3Å; V393-V449 WeakPolarHBondContact O-CA 3.41Å; V393-R450 HydrophobicContact CB-CB 3.81Å; V393-R450 HydrophobicContact CB-CG 3.94Å; V393-R450 HydrophobicContact CG2-CB 3.89Å; V393-R450 HydrophobicContact CG2-CG 3.97Å; V393-R450 PolarHBondContact O-N 3.43Å
394	F	88.8	Confident	88.7	Confident	38 Å²	38	47.8 Å²	47.8	17%	0.167	26%	0.255	C	S	.	.			trans	-131.6	124.1	166.3	-167.2	-109.6	0	0	0	109.3	I391 C396 A409 V424 F447 R448 V449	I391-F394 HydrophobicContact CG2-CB 3.99Å; F394-C396 VanDerWaalsContact CE1-SG 3.51Å; F394-C396 VanDerWaalsContact CZ-SG 3.57Å; F394-A409 HydrophobicContact CD1-CB 4.34Å; F394-A409 WeakPolarHBondContact CD1-O 3.49Å; F394-A409 HydrophobicContact CD2-CB 3.8Å; F394-A409 HydrophobicContact CE1-CB 3.94Å; F394-A409 VanDerWaalsContact CE1-O 3.3Å; F394-A409 WeakPolarHBondContact CE1-O 3.46Å; F394-A409 HydrophobicContact CE2-CB 3.37Å; F394-A409 HydrophobicContact CG-CB 4.27Å; F394-A409 HydrophobicContact CZ-CB 3.44Å; F394-A409 VanDerWaalsContact CZ-CB 3.44Å; F394-V424 HydrophobicContact CE2-CG1 4.38Å; F394-V424 HydrophobicContact CZ-CB 4.4Å; F394-V424 HydrophobicContact CZ-CG1 3.98Å; F394-F447 AromaticContact CE2-CE1 3.95Å; F394-F447 HydrophobicContact CE2-CE1 3.95Å; F394-F447 HydrophobicContact CZ-CE1 4.01Å; F394-R448 CarbonylContact C-O 3.55Å; F394-R448 WeakPolarHBondContact CA-O 3.5Å; F394-V449 HydrophobicContact CD2-CG2 4Å; F394-V449 HydrophobicContact CE2-CG2 4.11Å
395	R	87.9	Confident	89.3	Confident	107 Å²	107	47.5 Å²	47.5	40%	0.404	25%	0.254	S	S	.	.			trans	-140.2	135.7	161.9	-58.1	-171.9	-167.6	156.1	-3.8	108.4	F447 R448	R395-F447 WeakPolarHBondContact O-CA 3.36Å; R395-F447 WeakPolarHBondContact O-CD1 3.25Å; R395-R448 HydrophobicContact CB-CB 4.18Å; R395-R448 HydrophobicContact CG-CB 4.37Å; R395-R448 PolarHBondContact N-O 2.85Å; R395-R448 PolarHBondContact O-N 2.8Å
396	C	89	Confident	89.6	Confident	19 Å²	19	47.1 Å²	47.1	13%	0.128	26%	0.256	C	S	.	.			trans	-86	169.3	166.1	-60.9	0	0	0	0	110.9	F394 E398 I404 F447	F394-C396 VanDerWaalsContact CE1-SG 3.51Å; F394-C396 VanDerWaalsContact CZ-SG 3.57Å; C396-E398 HydrophobicContact CB-CG 4.31Å; C396-I404 HydrophobicContact CB-CD1 3.61Å; C396-F447 HydrophobicContact CB-CE1 4.2Å; C396-F447 HydrophobicContact CB-CE2 4.08Å; C396-F447 HydrophobicContact CB-CZ 3.78Å; C396-F447 WeakPolarHBondContact SG-CZ 3.39Å
397	G	89.3	Confident	89.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.			trans	-88	139.1	153.4	0	0	0	0	0	110	E446	G397-E446 WeakPolarHBondContact CA-OE2 3.43Å
398	E	92	Very high	88.4	Confident	127 Å²	127	42.5 Å²	42.5	59%	0.593	23%	0.229	S	C	*	.			trans	-134.6	168	-167.7	-74.9	175.4	-161.7	0	0	111.9	C396 I404 R442	C396-E398 HydrophobicContact CB-CG 4.31Å; E398-I404 HydrophobicContact CG-CD1 3.62Å; E398-R442 PolarHBondContact O-NH1 2.89Å; E398-R442 PolarHBondContact O-NH2 3.23Å; E398-R442 VanDerWaalsContact O-NH2 3.11Å
399	G	94.4	Very high	88	Confident	47 Å²	47	41.2 Å²	41.2	49%	0.485	22%	0.22	S	C	.	.	S	Bend	trans	118.6	-161.3	171	0	0	0	0	0	115.4	G401 I402	G399-G401 PolarHBondContact O-N 3.19Å; G399-G401 VanDerWaalsContact O-N 3.12Å; G399-I402 PolarHBondContact O-N 3.32Å
400	M	95.9	Very high	88	Confident	172 Å²	172	43.9 Å²	43.9	85%	0.847	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	112	-164.9	-174.7	-173.6	175.6	0	0	114	K439	M400-K439 PolarHBondContact O-NZ 2.69Å
401	G	96.1	Very high	88	Confident	25 Å²	25	42.8 Å²	42.8	26%	0.258	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	35.4	-176.3	0	0	0	0	0	112.8	G399 A428 H429	G399-G401 PolarHBondContact O-N 3.19Å; G399-G401 VanDerWaalsContact O-N 3.12Å; G401-A428 CarbonylContact O-C 3.57Å; G401-A428 WeakPolarHBondContact O-CA 3.25Å; G401-H429 PolarHBondContact O-N 2.99Å
402	I	97.8	Very high	87.7	Confident	23 Å²	23	44.2 Å²	44.2	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.3	162.2	-58.2	-63.7	0	0	0	108.3	G399 I404 I426 I427 A428 K439 A443	G399-I402 PolarHBondContact O-N 3.32Å; I402-I404 HydrophobicContact CG2-CG1 4.19Å; I402-I426 HydrophobicContact CG2-CD1 3.73Å; I402-I426 HydrophobicContact CG2-CG1 3.88Å; I402-I427 CarbonylContact C-O 3.58Å; I402-I427 WeakPolarHBondContact CA-O 3.33Å; I402-A428 HydrophobicContact CD1-CB 3.82Å; I402-K439 HydrophobicContact CD1-CB 4.27Å; I402-A443 HydrophobicContact CD1-CB 3.8Å; I402-A443 HydrophobicContact CG1-CB 4.2Å; I402-A443 HydrophobicContact CG2-CB 4.5Å
403	R	97.3	Very high	87.9	Confident	42 Å²	42	42 Å²	42	16%	0.158	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	147.5	172	165.5	177.9	169	177.9	-2.7	110.4	E334 E335 D405 I427	E334-R403 IonicContact OE2-CZ 2.67Å; E334-R403 IonicContact OE2-NH1 2.97Å; E334-R403 PolarHBondContact OE2-NH1 3.19Å; E334-R403 IonicContact OE2-NH2 3.53Å; E334-R403 PolarHBondContact OE2-NH2 3.43Å; E335-R403 WeakPolarHBondContact OE1-CD 3.3Å; E335-R403 IonicContact OE1-CZ 3.2Å; E335-R403 IonicContact OE1-NE 3.75Å; E335-R403 IonicContact OE1-NH1 2.88Å; E335-R403 PolarHBondContact OE1-NH1 2.62Å; R403-D405 IonicContact CZ-OD1 2.77Å; R403-D405 IonicContact NE-OD1 3.19Å; R403-D405 PolarHBondContact NE-OD1 3.37Å; R403-D405 IonicContact NE-OD2 2.7Å; R403-D405 PolarHBondContact NE-OD2 2.87Å; R403-D405 IonicContact NH2-OD1 3.91Å; R403-D405 PolarHBondContact NH2-OD1 3.39Å; R403-D405 IonicContact NH2-OD2 2.75Å; R403-I427 HydrophobicContact CB-CB 4.26Å; R403-I427 HydrophobicContact CG-CD1 4.08Å; R403-I427 PolarHBondContact N-O 3.01Å; R403-I427 PolarHBondContact O-N 3.47Å
404	I	95.4	Very high	88	Confident	40 Å²	40	47.7 Å²	47.7	21%	0.205	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	112	-173.5	-54.9	179.9	0	0	0	110.7	R51 C396 E398 I402 V424	R51-I404 PolarHBondContact NH2-O 3.1Å; C396-I404 HydrophobicContact CB-CD1 3.61Å; E398-I404 HydrophobicContact CG-CD1 3.62Å; I402-I404 HydrophobicContact CG2-CG1 4.19Å; I404-V424 HydrophobicContact CG2-CG2 3.49Å; I404-V424 VanDerWaalsContact CG2-CG2 3.49Å
405	D	95	Very high	87.9	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	92	176.7	-71.2	-178.1	0	0	0	107.7	R51 T331 R403 K425	R51-D405 IonicContact NH1-OD2 3.5Å; R51-D405 PolarHBondContact NH1-OD2 3.01Å; T331-D405 WeakPolarHBondContact CG2-OD1 3.4Å; R403-D405 IonicContact CZ-OD1 2.77Å; R403-D405 IonicContact NE-OD1 3.19Å; R403-D405 PolarHBondContact NE-OD1 3.37Å; R403-D405 IonicContact NE-OD2 2.7Å; R403-D405 PolarHBondContact NE-OD2 2.87Å; R403-D405 IonicContact NH2-OD1 3.91Å; R403-D405 PolarHBondContact NH2-OD1 3.39Å; R403-D405 IonicContact NH2-OD2 2.75Å; D405-K425 HydrophobicContact CB-CB 4.29Å; D405-K425 VanDerWaalsContact CB-CE 3.46Å; D405-K425 PolarHBondContact N-O 3.39Å; D405-K425 PolarHBondContact O-N 3.37Å; D405-K425 IonicContact OD1-NZ 2.71Å
406	S	88	Confident	87.7	Confident	31 Å²	31	43.1 Å²	43.1	22%	0.217	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.4	-173.3	-175.4	0	0	0	0	112.2	L423	S406-L423 PolarHBondContact OG-O 3.03Å
407	A	74	Confident	87.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.008	27%	0.265	C	S	.	.	S	Bend	trans	-94.7	-48.6	-178.6	0	0	0	0	0	112.9	E44 H71 L422 L423	E44-A407 HydrophobicContact CB-CB 3.9Å; E44-A407 VanDerWaalsContact N-CB 3.32Å; H71-A407 PolarHBondContact CE1-O 2.74Å; A407-L422 HydrophobicContact CB-CD2 4.5Å; A407-L423 PolarHBondContact N-O 3.47Å; A407-L423 VanDerWaalsContact N-O 3.16Å
408	S	69.3	Low	87.2	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.063	28%	0.279	C	S	.	.	S	Bend	trans	-142.3	-15.3	-154.4	-36.9	0	0	0	0	112.7	H71 F410 A413 L422	H71-S408 PolarHBondContact CE1-OG 2.77Å; H71-S408 WeakPolarHBondContact NE2-CB 3.26Å; H71-S408 PolarHBondContact NE2-OG 2.83Å; S408-F410 WeakPolarHBondContact O-CD1 3.38Å; S408-A413 WeakPolarHBondContact O-CB 3.47Å; S408-L422 PolarHBondContact OG-O 2.55Å
409	A	77.8	Confident	86.9	Confident	9 Å²	9	43.3 Å²	43.3	7%	0.074	26%	0.255	C	S	.	.			trans	-101.4	114.7	-154.9	0	0	0	0	0	112.8	I391 F394 L423	I391-A409 HydrophobicContact CD1-CB 4.23Å; F394-A409 HydrophobicContact CD1-CB 4.34Å; F394-A409 WeakPolarHBondContact CD1-O 3.49Å; F394-A409 HydrophobicContact CD2-CB 3.8Å; F394-A409 HydrophobicContact CE1-CB 3.94Å; F394-A409 VanDerWaalsContact CE1-O 3.3Å; F394-A409 WeakPolarHBondContact CE1-O 3.46Å; F394-A409 HydrophobicContact CE2-CB 3.37Å; F394-A409 HydrophobicContact CG-CB 4.27Å; F394-A409 HydrophobicContact CZ-CB 3.44Å; F394-A409 VanDerWaalsContact CZ-CB 3.44Å; A409-L423 HydrophobicContact CB-CB 3.89Å; A409-L423 HydrophobicContact CB-CD2 4.15Å
410	F	84.3	Confident	86.6	Confident	82 Å²	82	45 Å²	45	36%	0.36	25%	0.254	S	S	.	.	S	Bend	trans	-152.3	162.4	172.6	59.5	-85.2	0	0	0	109.3	M72 S408 G412 A413	M72-F410 HydrophobicContact CG-CD1 3.74Å; M72-F410 HydrophobicContact CG-CE1 3.65Å; M72-F410 HydrophobicContact SD-CD1 4.13Å; M72-F410 HydrophobicContact SD-CE1 3.95Å; S408-F410 WeakPolarHBondContact O-CD1 3.38Å; F410-G412 PolarHBondContact O-N 3.13Å; F410-A413 HydrophobicContact CD1-CB 3.68Å; F410-A413 HydrophobicContact CD2-CB 4.08Å; F410-A413 HydrophobicContact CE1-CB 3.56Å; F410-A413 HydrophobicContact CE2-CB 3.99Å; F410-A413 HydrophobicContact CG-CB 3.94Å; F410-A413 HydrophobicContact CZ-CB 3.73Å; F410-A413 WeakPolarHBondContact O-CB 3.27Å; F410-A413 PolarHBondContact O-N 2.98Å; F410-A413 VanDerWaalsContact O-N 3.1Å
411	A	83.3	Confident	86.3	Confident	66 Å²	66	37.9 Å²	37.9	55%	0.545	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	123.3	177.2	0	0	0	0	0	110.4
412	G	81.1	Confident	86.2	Confident	29 Å²	29	37.4 Å²	37.4	30%	0.299	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.5	-10.5	-173.2	0	0	0	0	0	115.1	I391 F410	I391-G412 PolarHBondContact O-N 3.19Å; F410-G412 PolarHBondContact O-N 3.13Å
413	A	85.7	Confident	85.9	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.033	21%	0.206	C	C	.	.			trans	-60.2	147	177.1	0	0	0	0	0	112.1	R390 I391 S408 F410	R390-A413 CarbonylContact C-O 3.49Å; R390-A413 VanDerWaalsContact CA-O 3.31Å; R390-A413 WeakPolarHBondContact CA-O 3.25Å; I391-A413 HydrophobicContact CD1-CB 4.34Å; I391-A413 PolarHBondContact N-O 3.08Å; S408-A413 WeakPolarHBondContact O-CB 3.47Å; F410-A413 HydrophobicContact CD1-CB 3.68Å; F410-A413 HydrophobicContact CD2-CB 4.08Å; F410-A413 HydrophobicContact CE1-CB 3.56Å; F410-A413 HydrophobicContact CE2-CB 3.99Å; F410-A413 HydrophobicContact CG-CB 3.94Å; F410-A413 HydrophobicContact CZ-CB 3.73Å; F410-A413 WeakPolarHBondContact O-CB 3.27Å; F410-A413 PolarHBondContact O-N 2.98Å; F410-A413 VanDerWaalsContact O-N 3.1Å
414	I	85.5	Confident	85.8	Confident	128 Å²	128	34.3 Å²	34.3	66%	0.656	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.7	174.3	-58.5	174.4	0	0	0	108.2	G389 R390	G389-I414 WeakPolarHBondContact O-CA 3.22Å; R390-I414 HydrophobicContact CB-CG1 4.48Å; R390-I414 HydrophobicContact CG-CG1 4.38Å
415	I	87.9	Confident	85.8	Confident	16 Å²	16	32.4 Å²	32.4	8%	0.082	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	117.4	173.5	-55.3	-55.8	0	0	0	108.4	T377 G389 I391 L423	T377-I415 HydrophobicContact CG2-CG1 4.3Å; T377-I415 HydrophobicContact CG2-CG2 4.08Å; G389-I415 PolarHBondContact N-O 2.94Å; G389-I415 PolarHBondContact O-N 2.92Å; I391-I415 HydrophobicContact CD1-CD1 3.94Å; I391-I415 HydrophobicContact CD1-CG1 3.87Å; I391-I415 HydrophobicContact CG1-CG1 4.1Å; I415-L423 HydrophobicContact CD1-CD2 3.64Å; I415-L423 HydrophobicContact CG1-CD2 3.89Å
416	S	83.5	Confident	85.9	Confident	33 Å²	33	32.3 Å²	32.3	23%	0.231	19%	0.188	C	C	.	.			trans	-87.5	151.4	179	76.1	0	0	0	0	111.7	Y418 Y419	S416-Y418 PolarHBondContact O-N 3.5Å; S416-Y418 VanDerWaalsContact O-N 3.16Å; S416-Y419 WeakPolarHBondContact OG-CD2 3.38Å
417	P	83.1	Confident	86.4	Confident	47 Å²	47	30.8 Å²	30.8	31%	0.305	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	23.8	176.9	36.6	-37.9	0	0	0	112.9	M1141	P417-M1141 WeakPolarHBondContact O-CE 3.5Å; P417-M1141 WeakPolarHBondContact O-CG 3.37Å
418	Y	83	Confident	87.5	Confident	78 Å²	78	30.8 Å²	30.8	31%	0.306	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-10.9	-171	-60.8	-53	0	0	0	114.9	E67 P89 S416 R1165	E67-Y418 HydrophobicContact CB-CD2 4.01Å; E67-Y418 HydrophobicContact CB-CE2 4.39Å; E67-Y418 HydrophobicContact CG-CD2 3.65Å; E67-Y418 HydrophobicContact CG-CE2 3.66Å; P89-Y418 HydrophobicContact CB-CG 4.48Å; P89-Y418 HydrophobicContact CG-CD1 4.09Å; P89-Y418 HydrophobicContact CG-CD2 4.33Å; P89-Y418 HydrophobicContact CG-CG 3.91Å; S416-Y418 PolarHBondContact O-N 3.5Å; S416-Y418 VanDerWaalsContact O-N 3.16Å; Y418-R1165 PolarHBondContact OH-NH2 3.14Å
419	Y	87.5	Confident	88.9	Confident	25 Å²	25	32.1 Å²	32.1	10%	0.098	18%	0.183	C	C	.	.	S	Bend	trans	-134.1	-166.1	-173.4	-51.4	-66.9	0	0	0	112.2	R42 S65 E67 D68 P89 Y93 S416	R42-Y419 VanDerWaalsContact CZ-CD2 3.47Å; R42-Y419 VanDerWaalsContact CZ-CG 3.44Å; R42-Y419 VanDerWaalsContact NH2-CD2 3.28Å; S65-Y419 PolarHBondContact OG-OH 2.82Å; E67-Y419 HydrophobicContact CB-CE2 4.44Å; D68-Y419 WeakPolarHBondContact OD1-CE2 3.47Å; P89-Y419 HydrophobicContact CB-CE1 3.85Å; Y93-Y419 HydrophobicContact CD2-CE1 4.48Å; Y93-Y419 HydrophobicContact CE2-CE1 4.19Å; S416-Y419 WeakPolarHBondContact OG-CD2 3.38Å
420	D	87.7	Confident	89.8	Confident	83 Å²	83	32.4 Å²	32.4	44%	0.444	18%	0.184	S	C	.	.			trans	-61.3	145.7	168.1	61	-59.3	0	0	0	112.3	R42 L422	R42-D420 IonicContact NH1-OD1 3.04Å; R42-D420 PolarHBondContact NH1-OD1 2.91Å; D420-L422 PolarHBondContact O-N 3.46Å; D420-L422 VanDerWaalsContact OD2-CB 3.3Å; D420-L422 WeakPolarHBondContact OD2-CB 3.4Å
421	S	90	Very high	90.3	Very high	21 Å²	21	39.2 Å²	39.2	15%	0.147	21%	0.208	C	C	.	.			trans	-78.2	10	-177.2	53.2	0	0	0	0	114	T376 T377 L423	T376-S421 CarbonylContact C-O 3.59Å; T376-S421 WeakPolarHBondContact CA-O 3.28Å; T376-S421 WeakPolarHBondContact CB-O 3.38Å; T377-S421 PolarHBondContact N-O 2.88Å; S421-L423 PolarHBondContact O-N 2.75Å
422	L	92.3	Very high	90.8	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	120.9	-172.8	-175.7	64.9	0	0	0	111.5	E44 R374 A407 S408 D420 K425	E44-L422 HydrophobicContact CG-CD2 4Å; R374-L422 HydrophobicContact CB-CD1 4.22Å; A407-L422 HydrophobicContact CB-CD2 4.5Å; S408-L422 PolarHBondContact OG-O 2.55Å; D420-L422 PolarHBondContact O-N 3.46Å; D420-L422 VanDerWaalsContact OD2-CB 3.3Å; D420-L422 WeakPolarHBondContact OD2-CB 3.4Å; L422-K425 HydrophobicContact CD1-CG 4.34Å; L422-K425 HydrophobicContact CD2-CG 4.18Å
423	L	92.9	Very high	91.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	-53.5	166.5	-64	-177.1	0	0	0	109.9	V375 T377 I391 S406 A407 A409 I415 S421 V449 T454	V375-L423 HydrophobicContact CG1-CD1 4.43Å; V375-L423 WeakPolarHBondContact O-CB 3.48Å; V375-L423 PolarHBondContact O-N 3Å; T377-L423 HydrophobicContact CG2-CD1 4.07Å; T377-L423 HydrophobicContact CG2-CD2 3.57Å; T377-L423 HydrophobicContact CG2-CG 3.8Å; I391-L423 HydrophobicContact CD1-CD2 3.79Å; S406-L423 PolarHBondContact OG-O 3.03Å; A407-L423 PolarHBondContact N-O 3.47Å; A407-L423 VanDerWaalsContact N-O 3.16Å; A409-L423 HydrophobicContact CB-CB 3.89Å; A409-L423 HydrophobicContact CB-CD2 4.15Å; I415-L423 HydrophobicContact CD1-CD2 3.64Å; I415-L423 HydrophobicContact CG1-CD2 3.89Å; S421-L423 PolarHBondContact O-N 2.75Å; L423-V449 HydrophobicContact CD1-CG1 4.13Å; L423-V449 HydrophobicContact CD1-CG2 4.24Å; L423-T454 HydrophobicContact CD1-CG2 3.71Å
424	V	94.5	Very high	92	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	140.2	-168.4	56.3	0	0	0	0	111.4	V375 F394 I404 F447	V375-V424 HydrophobicContact CB-CG1 3.83Å; V375-V424 WeakPolarHBondContact CB-O 3.44Å; V375-V424 HydrophobicContact CG1-CG1 4.33Å; V375-V424 HydrophobicContact CG2-CG1 4.31Å; V375-V424 PolarHBondContact N-O 2.92Å; V375-V424 PolarHBondContact O-N 3.3Å; F394-V424 HydrophobicContact CE2-CG1 4.38Å; F394-V424 HydrophobicContact CZ-CB 4.4Å; F394-V424 HydrophobicContact CZ-CG1 3.98Å; I404-V424 HydrophobicContact CG2-CG2 3.49Å; I404-V424 VanDerWaalsContact CG2-CG2 3.49Å; V424-F447 HydrophobicContact CG1-CE1 3.82Å; V424-F447 HydrophobicContact CG1-CZ 3.57Å
425	K	95.9	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.9	163.5	-45.2	-177	-49.2	-169.1	0	108.1	E44 V328 Q372 D405 L422 I427	E44-K425 HydrophobicContact CG-CD 4.02Å; E44-K425 HydrophobicContact CG-CG 4.28Å; E44-K425 WeakPolarHBondContact OE1-CE 3.44Å; E44-K425 IonicContact OE1-NZ 3.91Å; E44-K425 PolarHBondContact OE1-NZ 3.15Å; E44-K425 WeakPolarHBondContact OE2-CE 3.44Å; E44-K425 IonicContact OE2-NZ 3.28Å; E44-K425 PolarHBondContact OE2-NZ 3.38Å; V328-K425 HydrophobicContact CG1-CD 3.57Å; V328-K425 HydrophobicContact CG1-CG 4.48Å; V328-K425 PolarHBondContact O-NZ 3.42Å; Q372-K425 HydrophobicContact CG-CB 4.5Å; D405-K425 HydrophobicContact CB-CB 4.29Å; D405-K425 VanDerWaalsContact CB-CE 3.46Å; D405-K425 PolarHBondContact N-O 3.39Å; D405-K425 PolarHBondContact O-N 3.37Å; D405-K425 IonicContact OD1-NZ 2.71Å; L422-K425 HydrophobicContact CD1-CG 4.34Å; L422-K425 HydrophobicContact CD2-CG 4.18Å; K425-I427 HydrophobicContact CB-CD1 4.15Å
426	I	96.6	Very high	92.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.4	166.2	-178.1	168.6	0	0	0	108.5	Q372 C373 V375 I402 M440 A443 L444 F447	Q372-I426 WeakPolarHBondContact CA-O 3.44Å; C373-I426 HydrophobicContact CB-CG2 4.05Å; C373-I426 PolarHBondContact N-O 3.18Å; C373-I426 PolarHBondContact O-N 3.12Å; V375-I426 HydrophobicContact CG2-CG2 4.12Å; I402-I426 HydrophobicContact CG2-CD1 3.73Å; I402-I426 HydrophobicContact CG2-CG1 3.88Å; I426-M440 HydrophobicContact CB-SD 4.48Å; I426-M440 HydrophobicContact CD1-SD 4.23Å; I426-M440 HydrophobicContact CG1-CE 4.4Å; I426-M440 HydrophobicContact CG1-SD 4.09Å; I426-M440 HydrophobicContact CG2-CE 4.2Å; I426-M440 HydrophobicContact CG2-SD 3.7Å; I426-M440 WeakPolarHBondContact O-CE 3.22Å; I426-A443 HydrophobicContact CD1-CB 3.43Å; I426-A443 VanDerWaalsContact CD1-CB 3.43Å; I426-L444 HydrophobicContact CG2-CD2 4.13Å; I426-F447 HydrophobicContact CB-CE2 4.43Å; I426-F447 HydrophobicContact CD1-CE2 4.02Å
427	I	98.1	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.9	176.6	-53.1	94.5	0	0	0	108.1	T331 V332 E335 A370 I371 Q372 I402 R403 K425	T331-I427 HydrophobicContact CG2-CD1 4.09Å; V332-I427 HydrophobicContact CG1-CG2 3.85Å; E335-I427 HydrophobicContact CG-CG2 3.79Å; A370-I427 HydrophobicContact CB-CG2 4.38Å; I371-I427 CarbonylContact O-C 3.43Å; I371-I427 VanDerWaalsContact O-CA 3.32Å; I371-I427 WeakPolarHBondContact O-CA 3.49Å; Q372-I427 HydrophobicContact CB-CG1 3.9Å; Q372-I427 HydrophobicContact CG-CG1 3.93Å; I402-I427 CarbonylContact C-O 3.58Å; I402-I427 WeakPolarHBondContact CA-O 3.33Å; R403-I427 HydrophobicContact CB-CB 4.26Å; R403-I427 HydrophobicContact CG-CD1 4.08Å; R403-I427 PolarHBondContact N-O 3.01Å; R403-I427 PolarHBondContact O-N 3.47Å; K425-I427 HydrophobicContact CB-CD1 4.15Å
428	A	98.3	Very high	94.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.1	172.8	0	0	0	0	0	109.5	A370 I371 G401 I402 T436 K439 M440	A370-A428 CarbonylContact C-O 3.55Å; A370-A428 WeakPolarHBondContact CA-O 3.41Å; I371-A428 PolarHBondContact N-O 2.91Å; I371-A428 PolarHBondContact O-N 2.63Å; G401-A428 CarbonylContact O-C 3.57Å; G401-A428 WeakPolarHBondContact O-CA 3.25Å; I402-A428 HydrophobicContact CD1-CB 3.82Å; A428-T436 HydrophobicContact CB-CG2 4.1Å; A428-T436 VanDerWaalsContact O-CG2 3.27Å; A428-T436 WeakPolarHBondContact O-CG2 3.42Å; A428-K439 HydrophobicContact CB-CB 4.16Å; A428-M440 HydrophobicContact CB-CB 3.88Å; A428-M440 HydrophobicContact CB-CE 3.81Å; A428-M440 HydrophobicContact CB-SD 4.45Å
429	H	98.2	Very high	94.9	Very high	37 Å²	37	36.7 Å²	36.7	17%	0.171	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.1	175.3	176.7	-87.9	0	0	0	111.1	E335 V367 S369 G401 K439	E335-H429 HydrophobicContact CB-CB 4.25Å; E335-H429 PolarHBondContact O-CD2 3.29Å; E335-H429 PolarHBondContact O-NE2 3.15Å; V367-H429 PolarHBondContact O-NE2 3.35Å; S369-H429 WeakPolarHBondContact O-CA 3.48Å; S369-H429 PolarHBondContact O-CD2 2.94Å; G401-H429 PolarHBondContact O-N 2.99Å; H429-K439 VanDerWaalsContact O-CD 3.3Å; H429-K439 WeakPolarHBondContact O-CD 3.45Å; H429-K439 WeakPolarHBondContact O-CE 3.32Å; H429-K439 PolarHBondContact O-NZ 2.85Å
430	S	97.2	Very high	95.4	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	174.9	170.8	-153.9	0	0	0	0	112.9	G368 S369 S432 D435 T436	G368-S430 CarbonylContact C-O 3.59Å; G368-S430 VanDerWaalsContact CA-O 3.31Å; G368-S430 WeakPolarHBondContact CA-O 3.4Å; S369-S430 PolarHBondContact N-O 3.15Å; S369-S430 PolarHBondContact O-N 2.81Å; S430-S432 VanDerWaalsContact C-N 3.32Å; S430-S432 PolarHBondContact O-N 2.88Å; S430-D435 WeakPolarHBondContact OG-CB 3.26Å; S430-T436 VanDerWaalsContact CB-OG1 3.23Å; S430-T436 WeakPolarHBondContact CB-OG1 3.47Å; S430-T436 PolarHBondContact N-OG1 3.11Å
431	R	94.8	Very high	95.8	Very high	224 Å²	224	32.5 Å²	32.5	85%	0.845	16%	0.162	S	C	*	.	S	Bend	trans	-73.7	-19.4	-179.1	-65.5	-170.9	67.5	144.8	2.6	114.1
432	S	93.9	Very high	96.2	Very high	43 Å²	43	35.5 Å²	35.5	30%	0.301	17%	0.17	S	C	.	.	S	Bend	trans	-132	157	173.5	83.8	0	0	0	0	111.1	S430 D435 T436	S430-S432 VanDerWaalsContact C-N 3.32Å; S430-S432 PolarHBondContact O-N 2.88Å; S432-D435 WeakPolarHBondContact CB-OD2 3.45Å; S432-D435 PolarHBondContact O-N 2.77Å; S432-D435 PolarHBondContact OG-N 3.28Å; S432-D435 PolarHBondContact OG-OD2 2.85Å; S432-T436 PolarHBondContact O-N 3.05Å; S432-T436 VanDerWaalsContact O-N 3.13Å; S432-T436 PolarHBondContact O-OG1 2.74Å
433	Y	95.2	Very high	96.4	Very high	26 Å²	26	34.8 Å²	34.8	10%	0.102	17%	0.166	C	C	.	.	H	α-helix	trans	-62	-47.4	176.7	176.7	-111.5	0	0	0	112.3	I274 P278 I371 D435 T436 I437 F468 R469 S471	I274-Y433 HydrophobicContact CD1-CE2 3.93Å; I274-Y433 HydrophobicContact CG1-CE2 4.4Å; I274-Y433 HydrophobicContact CG2-CD2 4.09Å; I274-Y433 HydrophobicContact CG2-CE2 3.77Å; P278-Y433 HydrophobicContact CB-CD1 4.44Å; P278-Y433 HydrophobicContact CB-CD2 4.45Å; P278-Y433 HydrophobicContact CB-CG 4.38Å; P278-Y433 HydrophobicContact CG-CD2 4.49Å; P278-Y433 HydrophobicContact CG-CE2 4.17Å; I371-Y433 HydrophobicContact CD1-CD2 4.14Å; I371-Y433 HydrophobicContact CD1-CE2 3.77Å; I371-Y433 HydrophobicContact CG1-CE2 4.26Å; Y433-D435 PolarHBondContact O-N 2.78Å; Y433-T436 WeakPolarHBondContact O-CA 3.43Å; Y433-T436 WeakPolarHBondContact O-CB 3.42Å; Y433-T436 PolarHBondContact O-N 2.86Å; Y433-I437 HydrophobicContact CD1-CD1 4.03Å; Y433-I437 HydrophobicContact CE1-CD1 3.57Å; Y433-I437 HydrophobicContact CE1-CG1 4.43Å; Y433-I437 HydrophobicContact CE2-CD1 4.28Å; Y433-I437 HydrophobicContact CE2-CG1 4.32Å; Y433-I437 WeakPolarHBondContact O-CG1 3.4Å; Y433-I437 PolarHBondContact O-N 2.69Å; Y433-F468 WeakPolarHBondContact CE1-O 3.27Å; Y433-F468 VanDerWaalsContact OH-CE1 3.29Å; Y433-F468 WeakPolarHBondContact OH-CE1 3.39Å; Y433-F468 WeakPolarHBondContact OH-CZ 3.16Å; Y433-F468 PolarHBondContact OH-O 3.28Å; Y433-R469 WeakPolarHBondContact CE1-O 3.38Å; Y433-S471 WeakPolarHBondContact CE1-OG 3.36Å
434	P	95.1	Very high	96.5	Very high	73 Å²	73	34.9 Å²	34.9	47%	0.474	17%	0.166	S	C	.	.	H	α-helix	trans	-55.7	-45.4	173.8	-27.8	36.4	0	0	0	114.4	T436 I437 D438	P434-T436 PolarHBondContact O-N 3.2Å; P434-I437 WeakPolarHBondContact O-CB 3.19Å; P434-I437 PolarHBondContact O-N 2.87Å; P434-I437 VanDerWaalsContact O-N 3.17Å; P434-D438 PolarHBondContact O-N 2.95Å
435	D	95.7	Very high	96.4	Very high	81 Å²	81	40.4 Å²	40.4	43%	0.433	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-33	177.1	-60.3	-47.4	0	0	0	111.7	S430 S432 Y433 K439	S430-D435 WeakPolarHBondContact OG-CB 3.26Å; S432-D435 WeakPolarHBondContact CB-OD2 3.45Å; S432-D435 PolarHBondContact O-N 2.77Å; S432-D435 PolarHBondContact OG-N 3.28Å; S432-D435 PolarHBondContact OG-OD2 2.85Å; Y433-D435 PolarHBondContact O-N 2.78Å; D435-K439 WeakPolarHBondContact O-CB 3.28Å; D435-K439 VanDerWaalsContact O-CG 3.3Å; D435-K439 WeakPolarHBondContact O-CG 3Å; D435-K439 PolarHBondContact O-N 3.18Å
436	T	97.5	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-71.2	-38.4	179.1	-51.4	0	0	0	0	110.9	S369 I371 A428 S430 S432 Y433 P434 M440	S369-T436 PolarHBondContact O-OG1 2.83Å; I371-T436 HydrophobicContact CB-CG2 4.1Å; I371-T436 HydrophobicContact CD1-CG2 3.89Å; I371-T436 HydrophobicContact CG1-CG2 3.71Å; A428-T436 HydrophobicContact CB-CG2 4.1Å; A428-T436 VanDerWaalsContact O-CG2 3.27Å; A428-T436 WeakPolarHBondContact O-CG2 3.42Å; S430-T436 VanDerWaalsContact CB-OG1 3.23Å; S430-T436 WeakPolarHBondContact CB-OG1 3.47Å; S430-T436 PolarHBondContact N-OG1 3.11Å; S432-T436 PolarHBondContact O-N 3.05Å; S432-T436 VanDerWaalsContact O-N 3.13Å; S432-T436 PolarHBondContact O-OG1 2.74Å; Y433-T436 WeakPolarHBondContact O-CA 3.43Å; Y433-T436 WeakPolarHBondContact O-CB 3.42Å; Y433-T436 PolarHBondContact O-N 2.86Å; P434-T436 PolarHBondContact O-N 3.2Å; T436-M440 WeakPolarHBondContact O-CB 3.35Å; T436-M440 PolarHBondContact O-N 3.41Å
437	I	97.3	Very high	96	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-51.9	171.4	-63.1	178.1	0	0	0	110.5	I371 Y433 P434 K439 M440 I441 L463 F468 R469	I371-I437 HydrophobicContact CD1-CG1 3.64Å; Y433-I437 HydrophobicContact CD1-CD1 4.03Å; Y433-I437 HydrophobicContact CE1-CD1 3.57Å; Y433-I437 HydrophobicContact CE1-CG1 4.43Å; Y433-I437 HydrophobicContact CE2-CD1 4.28Å; Y433-I437 HydrophobicContact CE2-CG1 4.32Å; Y433-I437 WeakPolarHBondContact O-CG1 3.4Å; Y433-I437 PolarHBondContact O-N 2.69Å; P434-I437 WeakPolarHBondContact O-CB 3.19Å; P434-I437 PolarHBondContact O-N 2.87Å; P434-I437 VanDerWaalsContact O-N 3.17Å; I437-K439 VanDerWaalsContact C-N 3.32Å; I437-K439 PolarHBondContact O-N 2.77Å; I437-M440 PolarHBondContact O-N 2.81Å; I437-M440 VanDerWaalsContact O-N 3.09Å; I437-I441 HydrophobicContact CG2-CD1 3.71Å; I437-I441 HydrophobicContact CG2-CG1 4.3Å; I437-I441 WeakPolarHBondContact O-CG1 3.41Å; I437-I441 PolarHBondContact O-N 3.09Å; I437-L463 HydrophobicContact CG2-CB 4.25Å; I437-L463 WeakPolarHBondContact CG2-O 3.45Å; I437-F468 HydrophobicContact CD1-CD1 3.96Å; I437-F468 HydrophobicContact CD1-CE1 3.89Å; I437-F468 HydrophobicContact CG1-CD1 4.47Å; I437-F468 HydrophobicContact CG1-CE1 3.96Å; I437-R469 HydrophobicContact CD1-CB 4.42Å; I437-R469 HydrophobicContact CD1-CG 3.97Å
438	D	96.9	Very high	95.4	Very high	78 Å²	78	49.5 Å²	49.5	42%	0.417	23%	0.232	S	C	.	.	H	α-helix	trans	-67.8	-33.1	-175.7	-72.1	-27.2	0	0	0	111.7	P434 R442 R469	P434-D438 PolarHBondContact O-N 2.95Å; D438-R442 WeakPolarHBondContact O-CB 3.38Å; D438-R442 PolarHBondContact O-N 2.89Å; D438-R469 IonicContact OD1-CZ 2.88Å; D438-R469 IonicContact OD1-NH1 3.87Å; D438-R469 PolarHBondContact OD1-NH1 3.36Å; D438-R469 IonicContact OD1-NH2 2.77Å; D438-R469 PolarHBondContact OD1-NH2 3.39Å; D438-R469 IonicContact OD2-NH1 3.91Å
439	K	97.3	Very high	95	Very high	47 Å²	47	50 Å²	50	20%	0.204	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-45.9	167.1	-80.9	-172.7	-173.5	-164.7	0	113	M400 I402 A428 H429 D435 I437 R442 A443	M400-K439 PolarHBondContact O-NZ 2.69Å; I402-K439 HydrophobicContact CD1-CB 4.27Å; A428-K439 HydrophobicContact CB-CB 4.16Å; H429-K439 VanDerWaalsContact O-CD 3.3Å; H429-K439 WeakPolarHBondContact O-CD 3.45Å; H429-K439 WeakPolarHBondContact O-CE 3.32Å; H429-K439 PolarHBondContact O-NZ 2.85Å; D435-K439 WeakPolarHBondContact O-CB 3.28Å; D435-K439 VanDerWaalsContact O-CG 3.3Å; D435-K439 WeakPolarHBondContact O-CG 3Å; D435-K439 PolarHBondContact O-N 3.18Å; I437-K439 VanDerWaalsContact C-N 3.32Å; I437-K439 PolarHBondContact O-N 2.77Å; K439-R442 PolarHBondContact O-N 2.76Å; K439-A443 PolarHBondContact O-N 3.1Å
440	M	97.7	Very high	94.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-46.2	179.6	-176.9	59	82	0	0	111.2	I371 C373 I426 A428 T436 I437 R442 A443 L444 L463	I371-M440 HydrophobicContact CB-CE 4.43Å; I371-M440 HydrophobicContact CG2-CE 4.27Å; I371-M440 WeakPolarHBondContact O-CE 2.96Å; C373-M440 HydrophobicContact CB-CE 4.14Å; C373-M440 HydrophobicContact CB-SD 4.11Å; I426-M440 HydrophobicContact CB-SD 4.48Å; I426-M440 HydrophobicContact CD1-SD 4.23Å; I426-M440 HydrophobicContact CG1-CE 4.4Å; I426-M440 HydrophobicContact CG1-SD 4.09Å; I426-M440 HydrophobicContact CG2-CE 4.2Å; I426-M440 HydrophobicContact CG2-SD 3.7Å; I426-M440 WeakPolarHBondContact O-CE 3.22Å; A428-M440 HydrophobicContact CB-CB 3.88Å; A428-M440 HydrophobicContact CB-CE 3.81Å; A428-M440 HydrophobicContact CB-SD 4.45Å; T436-M440 WeakPolarHBondContact O-CB 3.35Å; T436-M440 PolarHBondContact O-N 3.41Å; I437-M440 PolarHBondContact O-N 2.81Å; I437-M440 VanDerWaalsContact O-N 3.09Å; M440-R442 VanDerWaalsContact C-N 3.34Å; M440-R442 PolarHBondContact O-N 2.96Å; M440-A443 PolarHBondContact O-N 2.99Å; M440-L444 HydrophobicContact CG-CD1 3.89Å; M440-L444 HydrophobicContact CG-CG 4.44Å; M440-L444 WeakPolarHBondContact O-CB 3.37Å; M440-L444 WeakPolarHBondContact O-CG 3.44Å; M440-L444 PolarHBondContact O-N 2.85Å; M440-L444 HydrophobicContact SD-CD1 4.09Å; M440-L444 HydrophobicContact SD-CG 4.15Å; M440-L463 HydrophobicContact CB-CD1 4.12Å; M440-L463 HydrophobicContact CG-CD1 3.47Å; M440-L463 VanDerWaalsContact CG-CD1 3.47Å; M440-L463 HydrophobicContact CG-CD2 4.34Å
441	I	97.1	Very high	93.5	Very high	19 Å²	19	52.4 Å²	52.4	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-56.6	-49.3	174.3	-71.2	172.3	0	0	0	110.1	I437 A443 L444 M445 L460 L463	I437-I441 HydrophobicContact CG2-CD1 3.71Å; I437-I441 HydrophobicContact CG2-CG1 4.3Å; I437-I441 WeakPolarHBondContact O-CG1 3.41Å; I437-I441 PolarHBondContact O-N 3.09Å; I441-A443 VanDerWaalsContact C-N 3.35Å; I441-A443 PolarHBondContact O-N 3.02Å; I441-L444 PolarHBondContact O-N 3.25Å; I441-M445 HydrophobicContact CG2-CG 4.19Å; I441-M445 HydrophobicContact CG2-SD 3.81Å; I441-M445 WeakPolarHBondContact O-CB 3.3Å; I441-M445 VanDerWaalsContact O-CG 3.28Å; I441-M445 WeakPolarHBondContact O-CG 3.3Å; I441-M445 PolarHBondContact O-N 2.67Å; I441-L460 HydrophobicContact CB-CD2 4.44Å; I441-L460 HydrophobicContact CG2-CD2 4.07Å; I441-L463 HydrophobicContact CD1-CB 3.86Å; I441-L463 HydrophobicContact CG1-CB 3.58Å; I441-L463 HydrophobicContact CG1-CD1 3.97Å; I441-L463 HydrophobicContact CG1-CG 4.42Å
442	R	97.2	Very high	93.1	Very high	85 Å²	85	42.3 Å²	42.3	32%	0.321	22%	0.216	S	C	.	.	H	α-helix	trans	-56	-48.1	178.9	-175.9	-76.5	-55.5	-166.7	-3	111.5	E398 D438 K439 M440 M445 E446	E398-R442 PolarHBondContact O-NH1 2.89Å; E398-R442 PolarHBondContact O-NH2 3.23Å; E398-R442 VanDerWaalsContact O-NH2 3.11Å; D438-R442 WeakPolarHBondContact O-CB 3.38Å; D438-R442 PolarHBondContact O-N 2.89Å; K439-R442 PolarHBondContact O-N 2.76Å; M440-R442 VanDerWaalsContact C-N 3.34Å; M440-R442 PolarHBondContact O-N 2.96Å; R442-M445 PolarHBondContact O-N 3.01Å; R442-E446 VanDerWaalsContact CD-CD 3.44Å; R442-E446 WeakPolarHBondContact CD-OE1 3.22Å; R442-E446 IonicContact CZ-OE1 2.65Å; R442-E446 IonicContact CZ-OE2 3.46Å; R442-E446 IonicContact NE-OE1 2.69Å; R442-E446 IonicContact NE-OE2 3.97Å; R442-E446 VanDerWaalsContact NH1-CD 3.25Å; R442-E446 IonicContact NH1-OE1 3.06Å; R442-E446 PolarHBondContact NH1-OE1 2.67Å; R442-E446 IonicContact NH1-OE2 2.67Å; R442-E446 PolarHBondContact NH1-OE2 2.68Å; R442-E446 WeakPolarHBondContact O-CG 3.49Å; R442-E446 PolarHBondContact O-N 3.08Å
443	A	96.8	Very high	92.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.2	-35.9	-179.2	0	0	0	0	0	113.2	I402 I426 K439 M440 I441 E446 F447	I402-A443 HydrophobicContact CD1-CB 3.8Å; I402-A443 HydrophobicContact CG1-CB 4.2Å; I402-A443 HydrophobicContact CG2-CB 4.5Å; I426-A443 HydrophobicContact CD1-CB 3.43Å; I426-A443 VanDerWaalsContact CD1-CB 3.43Å; K439-A443 PolarHBondContact O-N 3.1Å; M440-A443 PolarHBondContact O-N 2.99Å; I441-A443 VanDerWaalsContact C-N 3.35Å; I441-A443 PolarHBondContact O-N 3.02Å; A443-E446 PolarHBondContact O-N 2.79Å; A443-F447 WeakPolarHBondContact O-CD2 3.25Å; A443-F447 PolarHBondContact O-N 3.3Å; A443-F447 VanDerWaalsContact O-N 3.14Å
444	L	95.7	Very high	92.7	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-31.8	171.1	-71.7	172	0	0	0	112.6	V375 I426 M440 I441 E446 F447 V456 L459 L460 L463	V375-L444 HydrophobicContact CG2-CD2 3.99Å; I426-L444 HydrophobicContact CG2-CD2 4.13Å; M440-L444 HydrophobicContact CG-CD1 3.89Å; M440-L444 HydrophobicContact CG-CG 4.44Å; M440-L444 WeakPolarHBondContact O-CB 3.37Å; M440-L444 WeakPolarHBondContact O-CG 3.44Å; M440-L444 PolarHBondContact O-N 2.85Å; M440-L444 HydrophobicContact SD-CD1 4.09Å; M440-L444 HydrophobicContact SD-CG 4.15Å; I441-L444 PolarHBondContact O-N 3.25Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-F447 HydrophobicContact CD2-CD2 4.3Å; L444-F447 PolarHBondContact O-N 3.29Å; L444-V456 HydrophobicContact CB-CG1 4.2Å; L444-V456 HydrophobicContact CD2-CG1 4.24Å; L444-V456 HydrophobicContact CD2-CG2 4.35Å; L444-V456 WeakPolarHBondContact O-CG1 3.21Å; L444-L459 HydrophobicContact CD1-CB 3.88Å; L444-L459 HydrophobicContact CD2-CD1 4.24Å; L444-L460 HydrophobicContact CB-CD2 3.67Å; L444-L460 HydrophobicContact CB-CG 4.11Å; L444-L460 HydrophobicContact CD1-CD2 4.49Å; L444-L463 HydrophobicContact CD1-CD1 3.49Å; L444-L463 VanDerWaalsContact CD1-CD1 3.49Å
445	M	92.8	Very high	92.7	Very high	116 Å²	116	42.3 Å²	42.3	57%	0.571	21%	0.206	S	C	*	.	H	α-helix	trans	-72.5	-20.8	171.8	-74.5	-174.1	73.8	0	0	113	I441 R442 R448 L460	I441-M445 HydrophobicContact CG2-CG 4.19Å; I441-M445 HydrophobicContact CG2-SD 3.81Å; I441-M445 WeakPolarHBondContact O-CB 3.3Å; I441-M445 VanDerWaalsContact O-CG 3.28Å; I441-M445 WeakPolarHBondContact O-CG 3.3Å; I441-M445 PolarHBondContact O-N 2.67Å; R442-M445 PolarHBondContact O-N 3.01Å; M445-R448 PolarHBondContact O-NH1 3.48Å; M445-R448 PolarHBondContact O-NH2 3.33Å; M445-L460 HydrophobicContact CG-CD1 4.2Å; M445-L460 HydrophobicContact CG-CD2 3.78Å
446	E	92.7	Very high	92.6	Very high	78 Å²	78	39 Å²	39	36%	0.364	19%	0.189	S	C	.	.	H	α-helix	trans	-83	-27.9	171.9	-76.2	168.6	176.5	0	0	113.1	G397 R442 A443 L444 R448	G397-E446 WeakPolarHBondContact CA-OE2 3.43Å; R442-E446 VanDerWaalsContact CD-CD 3.44Å; R442-E446 WeakPolarHBondContact CD-OE1 3.22Å; R442-E446 IonicContact CZ-OE1 2.65Å; R442-E446 IonicContact CZ-OE2 3.46Å; R442-E446 IonicContact NE-OE1 2.69Å; R442-E446 IonicContact NE-OE2 3.97Å; R442-E446 VanDerWaalsContact NH1-CD 3.25Å; R442-E446 IonicContact NH1-OE1 3.06Å; R442-E446 PolarHBondContact NH1-OE1 2.67Å; R442-E446 IonicContact NH1-OE2 2.67Å; R442-E446 PolarHBondContact NH1-OE2 2.68Å; R442-E446 WeakPolarHBondContact O-CG 3.49Å; R442-E446 PolarHBondContact O-N 3.08Å; A443-E446 PolarHBondContact O-N 2.79Å; L444-E446 VanDerWaalsContact C-N 3.29Å; E446-R448 WeakPolarHBondContact O-CG 3.4Å; E446-R448 PolarHBondContact O-N 2.83Å; E446-R448 PolarHBondContact O-NH1 2.83Å
447	F	89.9	Confident	92.4	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.044	21%	0.206	C	C	.	.			trans	-52	127.1	-177.7	-110.5	-80.9	0	0	0	113.5	V375 F394 R395 C396 V424 I426 A443 L444 V449	V375-F447 HydrophobicContact CG2-CE2 4.4Å; V375-F447 HydrophobicContact CG2-CZ 4.38Å; F394-F447 AromaticContact CE2-CE1 3.95Å; F394-F447 HydrophobicContact CE2-CE1 3.95Å; F394-F447 HydrophobicContact CZ-CE1 4.01Å; R395-F447 WeakPolarHBondContact O-CA 3.36Å; R395-F447 WeakPolarHBondContact O-CD1 3.25Å; C396-F447 HydrophobicContact CB-CE1 4.2Å; C396-F447 HydrophobicContact CB-CE2 4.08Å; C396-F447 HydrophobicContact CB-CZ 3.78Å; C396-F447 WeakPolarHBondContact SG-CZ 3.39Å; V424-F447 HydrophobicContact CG1-CE1 3.82Å; V424-F447 HydrophobicContact CG1-CZ 3.57Å; I426-F447 HydrophobicContact CB-CE2 4.43Å; I426-F447 HydrophobicContact CD1-CE2 4.02Å; A443-F447 WeakPolarHBondContact O-CD2 3.25Å; A443-F447 PolarHBondContact O-N 3.3Å; A443-F447 VanDerWaalsContact O-N 3.14Å; L444-F447 HydrophobicContact CD2-CD2 4.3Å; L444-F447 PolarHBondContact O-N 3.29Å; F447-V449 HydrophobicContact CD1-CG2 4.09Å
448	R	86.9	Confident	92.2	Very high	103 Å²	103	41.6 Å²	41.6	39%	0.389	21%	0.206	S	C	.	.			trans	-127.2	88.7	175.6	-58.8	-62	170.2	-101.1	-6.2	110.2	V393 F394 R395 M445 E446	V393-R448 CarbonylContact C-O 3.6Å; V393-R448 HydrophobicContact CG1-CB 4.4Å; F394-R448 CarbonylContact C-O 3.55Å; F394-R448 WeakPolarHBondContact CA-O 3.5Å; R395-R448 HydrophobicContact CB-CB 4.18Å; R395-R448 HydrophobicContact CG-CB 4.37Å; R395-R448 PolarHBondContact N-O 2.85Å; R395-R448 PolarHBondContact O-N 2.8Å; M445-R448 PolarHBondContact O-NH1 3.48Å; M445-R448 PolarHBondContact O-NH2 3.33Å; E446-R448 WeakPolarHBondContact O-CG 3.4Å; E446-R448 PolarHBondContact O-N 2.83Å; E446-R448 PolarHBondContact O-NH1 2.83Å
449	V	88.5	Confident	92.1	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	19%	0.186	C	C	.	.			trans	-93.4	137.9	165	-169.9	0	0	0	0	109.4	I391 V393 F394 L423 F447 V452 T454	I391-V449 HydrophobicContact CG2-CG1 4.45Å; V393-V449 CarbonylContact O-C 3.56Å; V393-V449 VanDerWaalsContact O-CA 3.3Å; V393-V449 WeakPolarHBondContact O-CA 3.41Å; F394-V449 HydrophobicContact CD2-CG2 4Å; F394-V449 HydrophobicContact CE2-CG2 4.11Å; L423-V449 HydrophobicContact CD1-CG1 4.13Å; L423-V449 HydrophobicContact CD1-CG2 4.24Å; F447-V449 HydrophobicContact CD1-CG2 4.09Å; V449-V452 HydrophobicContact CG1-CG2 3.77Å; V449-T454 HydrophobicContact CB-CG2 3.8Å; V449-T454 HydrophobicContact CG1-CG2 3.89Å; V449-T454 HydrophobicContact CG2-CG2 3.87Å
450	R	84.3	Confident	92.1	Very high	61 Å²	61	37.3 Å²	37.3	23%	0.23	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-140.1	161.3	171	-64.3	-66	-179.3	-97.4	10	109.8	I391 E392 V393 V452 N492	I391-R450 CarbonylContact C-O 3.44Å; I391-R450 WeakPolarHBondContact CA-O 3.2Å; E392-R450 HydrophobicContact CB-CB 4.08Å; E392-R450 PolarHBondContact N-O 2.84Å; V393-R450 HydrophobicContact CB-CB 3.81Å; V393-R450 HydrophobicContact CB-CG 3.94Å; V393-R450 HydrophobicContact CG2-CB 3.89Å; V393-R450 HydrophobicContact CG2-CG 3.97Å; V393-R450 PolarHBondContact O-N 3.43Å; R450-V452 PolarHBondContact O-N 2.88Å; R450-N492 PolarHBondContact NE-OD1 3.22Å; R450-N492 VanDerWaalsContact NE-OD1 3.16Å; R450-N492 PolarHBondContact NH2-OD1 3.34Å
451	G	80.1	Confident	91.9	Very high	43 Å²	43	39.7 Å²	39.7	44%	0.443	20%	0.198	S	C	.	.	S	Bend	trans	88.4	-40.5	-171.1	0	0	0	0	0	113.4	R390	R390-G451 VanDerWaalsContact O-CA 3.3Å; R390-G451 WeakPolarHBondContact O-CA 3.15Å
452	V	87.3	Confident	91.8	Very high	12 Å²	12	38.8 Å²	38.8	7%	0.073	19%	0.193	C	C	.	.	S	Bend	trans	-121.3	157.1	171.1	-60.5	0	0	0	0	112.5	T377 D387 I391 V449 R450	T377-V452 HydrophobicContact CG2-CB 4.37Å; T377-V452 HydrophobicContact CG2-CG2 3.93Å; D387-V452 VanDerWaalsContact OD2-CA 3.23Å; D387-V452 WeakPolarHBondContact OD2-CA 3.42Å; I391-V452 HydrophobicContact CG1-CG2 4.08Å; V449-V452 HydrophobicContact CG1-CG2 3.77Å; R450-V452 PolarHBondContact O-N 2.88Å
453	K	88.9	Confident	91.7	Very high	112 Å²	112	34.7 Å²	34.7	49%	0.487	18%	0.178	S	C	.	.			trans	-69	164.6	167.1	-59.3	-60.9	-172.5	91.6	0	111.3	T377 D379 D387	T377-K453 WeakPolarHBondContact CA-O 3.41Å; D379-K453 HydrophobicContact CB-CB 3.84Å; D379-K453 HydrophobicContact CB-CG 4Å; D379-K453 WeakPolarHBondContact OD2-CD 3.48Å; D379-K453 VanDerWaalsContact OD2-CG 3.3Å; D379-K453 WeakPolarHBondContact OD2-CG 3.41Å; D379-K453 IonicContact OD2-NZ 2.59Å; D379-K453 PolarHBondContact OD2-NZ 3.11Å; D387-K453 HydrophobicContact CB-CB 3.95Å; D387-K453 HydrophobicContact CB-CG 4.28Å; D387-K453 WeakPolarHBondContact OD2-CG 3.49Å; D387-K453 PolarHBondContact OD2-N 2.88Å
454	T	92.1	Very high	91.5	Very high	27 Å²	27	38.1 Å²	38.1	17%	0.166	20%	0.201	C	C	.	.			trans	-150.3	158.3	173.1	58.7	0	0	0	0	112.5	V375 T376 E378 L423 V449 V456 P457	V375-T454 HydrophobicContact CG1-CG2 4.39Å; T376-T454 WeakPolarHBondContact O-CA 3.41Å; T376-T454 WeakPolarHBondContact O-CB 3.46Å; E378-T454 CarbonylContact O-C 3.55Å; E378-T454 VanDerWaalsContact O-C 3.27Å; L423-T454 HydrophobicContact CD1-CG2 3.71Å; V449-T454 HydrophobicContact CB-CG2 3.8Å; V449-T454 HydrophobicContact CG1-CG2 3.89Å; V449-T454 HydrophobicContact CG2-CG2 3.87Å; T454-V456 PolarHBondContact O-N 3.02Å; T454-P457 WeakPolarHBondContact O-CD 3.31Å
455	N	93.8	Very high	91.5	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	21%	0.205	C	C	.	.	S	Bend	trans	-74.9	-1	175.3	71.1	-10.9	0	0	0	115	R374 V375 T376 E378 P380 P457 F458 L459	R374-N455 PolarHBondContact O-ND2 3.27Å; R374-N455 PolarHBondContact O-OD1 2.87Å; V375-N455 WeakPolarHBondContact CA-OD1 3.24Å; T376-N455 PolarHBondContact N-OD1 2.78Å; T376-N455 VanDerWaalsContact N-OD1 3.08Å; T376-N455 PolarHBondContact O-N 3.06Å; T376-N455 VanDerWaalsContact OG1-CG 3.26Å; T376-N455 PolarHBondContact OG1-ND2 3.41Å; T376-N455 VanDerWaalsContact OG1-ND2 3.1Å; E378-N455 PolarHBondContact O-N 3.37Å; P380-N455 HydrophobicContact CG-CB 4.25Å; N455-P457 VanDerWaalsContact C-CD 3.43Å; N455-F458 WeakPolarHBondContact O-CB 3.33Å; N455-F458 PolarHBondContact O-N 3.3Å; N455-L459 PolarHBondContact O-N 2.92Å; N455-L459 VanDerWaalsContact O-N 3.13Å; N455-L459 WeakPolarHBondContact OD1-CD1 3.19Å
456	V	94.3	Very high	91.5	Very high	13 Å²	13	37 Å²	37	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-50.9	-41.4	-177	177.2	0	0	0	0	114.5	V375 L444 T454 F458 L459 L460	V375-V456 HydrophobicContact CG1-CG2 3.75Å; V375-V456 HydrophobicContact CG2-CG2 4.32Å; L444-V456 HydrophobicContact CB-CG1 4.2Å; L444-V456 HydrophobicContact CD2-CG1 4.24Å; L444-V456 HydrophobicContact CD2-CG2 4.35Å; L444-V456 WeakPolarHBondContact O-CG1 3.21Å; T454-V456 PolarHBondContact O-N 3.02Å; V456-F458 VanDerWaalsContact C-N 3.29Å; V456-F458 PolarHBondContact O-N 2.95Å; V456-L459 PolarHBondContact O-N 3.16Å; V456-L460 HydrophobicContact CG1-CD1 4.08Å; V456-L460 HydrophobicContact CG1-CG 4.39Å; V456-L460 WeakPolarHBondContact O-CG 3.42Å; V456-L460 PolarHBondContact O-N 2.84Å
457	P	92.7	Very high	91.5	Very high	54 Å²	54	36.1 Å²	36.1	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-34.3	177	-23.5	35.6	0	0	0	113.5	T454 N455 N461 F487	T454-P457 WeakPolarHBondContact O-CD 3.31Å; N455-P457 VanDerWaalsContact C-CD 3.43Å; P457-N461 PolarHBondContact O-N 3.25Å; P457-N461 VanDerWaalsContact O-N 3.15Å; P457-F487 HydrophobicContact CB-CD1 3.91Å; P457-F487 HydrophobicContact CB-CG 4.49Å
458	F	93.9	Very high	91.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-72.5	-42.1	176	173.7	-100.2	0	0	0	111.5	I271 P380 F384 N455 V456 L460 N461 V462 I478 L484 F485 F487	I271-F458 HydrophobicContact CD1-CE1 4.05Å; I271-F458 HydrophobicContact CG2-CE1 4.39Å; P380-F458 HydrophobicContact CB-CB 4.09Å; P380-F458 HydrophobicContact CG-CB 3.82Å; F384-F458 AromaticContact CE1-CD1 3.8Å; F384-F458 HydrophobicContact CE1-CD1 3.8Å; F384-F458 HydrophobicContact CE1-CE1 4.1Å; F384-F458 HydrophobicContact CE1-CG 4.11Å; F384-F458 HydrophobicContact CZ-CB 4.16Å; F384-F458 AromaticContact CZ-CD1 3.64Å; F384-F458 HydrophobicContact CZ-CD1 3.64Å; F384-F458 AromaticContact CZ-CD2 3.74Å; F384-F458 HydrophobicContact CZ-CD2 3.74Å; F384-F458 AromaticContact CZ-CE1 3.86Å; F384-F458 HydrophobicContact CZ-CE1 3.86Å; F384-F458 AromaticContact CZ-CE2 3.94Å; F384-F458 HydrophobicContact CZ-CE2 3.94Å; F384-F458 AromaticContact CZ-CG 3.57Å; F384-F458 HydrophobicContact CZ-CG 3.57Å; F384-F458 HydrophobicContact CZ-CZ 4Å; N455-F458 WeakPolarHBondContact O-CB 3.33Å; N455-F458 PolarHBondContact O-N 3.3Å; V456-F458 VanDerWaalsContact C-N 3.29Å; V456-F458 PolarHBondContact O-N 2.95Å; F458-L460 VanDerWaalsContact C-N 3.32Å; F458-L460 PolarHBondContact O-N 3.04Å; F458-N461 WeakPolarHBondContact O-CB 3.31Å; F458-N461 PolarHBondContact O-N 2.84Å; F458-V462 HydrophobicContact CD1-CG2 4.28Å; F458-V462 HydrophobicContact CE1-CG2 3.85Å; F458-V462 HydrophobicContact CE2-CG2 4.25Å; F458-V462 HydrophobicContact CZ-CG2 3.84Å; F458-V462 WeakPolarHBondContact O-CG2 3.3Å; F458-V462 PolarHBondContact O-N 2.88Å; F458-I478 HydrophobicContact CE1-CD1 4.19Å; F458-I478 HydrophobicContact CE2-CG2 4.31Å; F458-I478 HydrophobicContact CZ-CD1 3.79Å; F458-I478 HydrophobicContact CZ-CG1 4.02Å; F458-I478 HydrophobicContact CZ-CG2 3.88Å; F458-L484 HydrophobicContact CD2-CB 4.24Å; F458-L484 HydrophobicContact CE2-CB 3.85Å; F458-L484 HydrophobicContact CE2-CD1 4.41Å; F458-F485 HydrophobicContact CE2-CE1 4.17Å; F458-F485 HydrophobicContact CE2-CZ 4.16Å; F458-F487 HydrophobicContact CB-CE1 3.95Å; F458-F487 HydrophobicContact CB-CZ 4.45Å; F458-F487 HydrophobicContact CD2-CE1 4.44Å
459	L	95.2	Very high	92	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59	-42.7	174.6	-65.2	171.3	0	0	0	111.6	I271 V272 C373 V375 L444 N455 V456 V462 L463	I271-L459 HydrophobicContact CG2-CD2 3.74Å; V272-L459 HydrophobicContact CG2-CD2 4.08Å; C373-L459 HydrophobicContact CB-CD1 4.13Å; C373-L459 HydrophobicContact CB-CD2 4.23Å; V375-L459 HydrophobicContact CG2-CD1 4.33Å; L444-L459 HydrophobicContact CD1-CB 3.88Å; L444-L459 HydrophobicContact CD2-CD1 4.24Å; N455-L459 PolarHBondContact O-N 2.92Å; N455-L459 VanDerWaalsContact O-N 3.13Å; N455-L459 WeakPolarHBondContact OD1-CD1 3.19Å; V456-L459 PolarHBondContact O-N 3.16Å; L459-V462 PolarHBondContact O-N 3.16Å; L459-L463 VanDerWaalsContact O-CG 3.26Å; L459-L463 WeakPolarHBondContact O-CG 3.17Å; L459-L463 PolarHBondContact O-N 2.68Å
460	L	95.2	Very high	92.1	Very high	36 Å²	36	39.5 Å²	39.5	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-62.5	-41.3	174.6	-72.7	171.1	0	0	0	112.6	I441 L444 M445 V456 F458 S464	I441-L460 HydrophobicContact CB-CD2 4.44Å; I441-L460 HydrophobicContact CG2-CD2 4.07Å; L444-L460 HydrophobicContact CB-CD2 3.67Å; L444-L460 HydrophobicContact CB-CG 4.11Å; L444-L460 HydrophobicContact CD1-CD2 4.49Å; M445-L460 HydrophobicContact CG-CD1 4.2Å; M445-L460 HydrophobicContact CG-CD2 3.78Å; V456-L460 HydrophobicContact CG1-CD1 4.08Å; V456-L460 HydrophobicContact CG1-CG 4.39Å; V456-L460 WeakPolarHBondContact O-CG 3.42Å; V456-L460 PolarHBondContact O-N 2.84Å; F458-L460 VanDerWaalsContact C-N 3.32Å; F458-L460 PolarHBondContact O-N 3.04Å; L460-S464 VanDerWaalsContact O-CB 3.28Å; L460-S464 WeakPolarHBondContact O-CB 3.32Å; L460-S464 PolarHBondContact O-N 2.99Å; L460-S464 VanDerWaalsContact O-N 3.11Å; L460-S464 PolarHBondContact O-OG 3.36Å
461	N	94.4	Very high	92.1	Very high	49 Å²	49	37 Å²	37	26%	0.262	21%	0.21	S	C	.	.	H	α-helix	trans	-63.6	-40.2	174.6	-77.5	-3.1	0	0	0	112.1	P457 F458 S464 N465 L484 Q486	P457-N461 PolarHBondContact O-N 3.25Å; P457-N461 VanDerWaalsContact O-N 3.15Å; F458-N461 WeakPolarHBondContact O-CB 3.31Å; F458-N461 PolarHBondContact O-N 2.84Å; N461-S464 PolarHBondContact O-N 3.29Å; N461-N465 PolarHBondContact O-N 3.42Å; N461-L484 HydrophobicContact CB-CD2 4.11Å; N461-L484 PolarHBondContact ND2-O 3.45Å; N461-L484 WeakPolarHBondContact O-CD2 3.32Å; N461-Q486 PolarHBondContact ND2-O 3.22Å
462	V	95	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.6	-52.6	176.2	162.7	0	0	0	0	111.5	V264 V272 F458 L459 S464 N465 F468 F477 L484	V264-V462 HydrophobicContact CG1-CG1 4.14Å; V272-V462 HydrophobicContact CG2-CG1 4.19Å; F458-V462 HydrophobicContact CD1-CG2 4.28Å; F458-V462 HydrophobicContact CE1-CG2 3.85Å; F458-V462 HydrophobicContact CE2-CG2 4.25Å; F458-V462 HydrophobicContact CZ-CG2 3.84Å; F458-V462 WeakPolarHBondContact O-CG2 3.3Å; F458-V462 PolarHBondContact O-N 2.88Å; L459-V462 PolarHBondContact O-N 3.16Å; V462-S464 PolarHBondContact O-N 3.11Å; V462-N465 WeakPolarHBondContact O-CB 3.48Å; V462-N465 PolarHBondContact O-N 3.07Å; V462-N465 VanDerWaalsContact O-N 3.15Å; V462-F468 HydrophobicContact CG1-CD2 4.12Å; V462-F468 HydrophobicContact CG1-CE2 4.44Å; V462-F468 HydrophobicContact CG1-CG 4.46Å; V462-F468 WeakPolarHBondContact O-CB 3.21Å; V462-F477 HydrophobicContact CG1-CE1 4.09Å; V462-F477 HydrophobicContact CG2-CE1 4.35Å; V462-L484 HydrophobicContact CG2-CD1 4.14Å; V462-L484 HydrophobicContact CG2-CD2 4.05Å
463	L	95	Very high	92.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-21.4	-178.1	-63.1	167.1	0	0	0	113.4	I437 M440 I441 L444 L459 F468 R469	I437-L463 HydrophobicContact CG2-CB 4.25Å; I437-L463 WeakPolarHBondContact CG2-O 3.45Å; M440-L463 HydrophobicContact CB-CD1 4.12Å; M440-L463 HydrophobicContact CG-CD1 3.47Å; M440-L463 VanDerWaalsContact CG-CD1 3.47Å; M440-L463 HydrophobicContact CG-CD2 4.34Å; I441-L463 HydrophobicContact CD1-CB 3.86Å; I441-L463 HydrophobicContact CG1-CB 3.58Å; I441-L463 HydrophobicContact CG1-CD1 3.97Å; I441-L463 HydrophobicContact CG1-CG 4.42Å; L444-L463 HydrophobicContact CD1-CD1 3.49Å; L444-L463 VanDerWaalsContact CD1-CD1 3.49Å; L459-L463 VanDerWaalsContact O-CG 3.26Å; L459-L463 WeakPolarHBondContact O-CG 3.17Å; L459-L463 PolarHBondContact O-N 2.68Å; L463-F468 HydrophobicContact CD2-CD1 4.18Å; L463-F468 HydrophobicContact CD2-CE1 3.47Å; L463-F468 VanDerWaalsContact CD2-CE1 3.47Å; L463-F468 HydrophobicContact CD2-CZ 3.83Å; L463-R469 PolarHBondContact O-NE 2.66Å
464	S	93.7	Very high	92.8	Very high	71 Å²	71	33.3 Å²	33.3	50%	0.497	19%	0.19	S	C	.	.	H	α-helix	trans	-89	-9.5	177.1	-54.4	0	0	0	0	113.4	L460 N461 V462	L460-S464 VanDerWaalsContact O-CB 3.28Å; L460-S464 WeakPolarHBondContact O-CB 3.32Å; L460-S464 PolarHBondContact O-N 2.99Å; L460-S464 VanDerWaalsContact O-N 3.11Å; L460-S464 PolarHBondContact O-OG 3.36Å; N461-S464 PolarHBondContact O-N 3.29Å; V462-S464 PolarHBondContact O-N 3.11Å
465	N	94.7	Very high	92.7	Very high	17 Å²	17	33 Å²	33	9%	0.091	19%	0.188	C	C	.	.	S	Bend	trans	-74.7	136.4	-179.8	-170.6	-50.7	0	0	0	111	N461 V462 K467 F468 R469 F477 N481 Q483 L484	N461-N465 PolarHBondContact O-N 3.42Å; V462-N465 WeakPolarHBondContact O-CB 3.48Å; V462-N465 PolarHBondContact O-N 3.07Å; V462-N465 VanDerWaalsContact O-N 3.15Å; N465-K467 PolarHBondContact O-N 2.9Å; N465-K467 PolarHBondContact OD1-N 2.79Å; N465-F468 PolarHBondContact O-N 3.37Å; N465-F468 VanDerWaalsContact O-N 3.16Å; N465-R469 PolarHBondContact O-N 2.75Å; N465-R469 VanDerWaalsContact O-N 3.09Å; N465-F477 HydrophobicContact CB-CE2 4.31Å; N465-F477 HydrophobicContact CB-CZ 4.04Å; N465-N481 PolarHBondContact ND2-OD1 2.93Å; N465-Q483 PolarHBondContact ND2-NE2 3.27Å; N465-L484 HydrophobicContact CB-CD2 4.27Å
466	S	93	Very high	92.4	Very high	77 Å²	77	34.4 Å²	34.4	54%	0.538	20%	0.198	S	C	.	.	H	α-helix	trans	-59.8	-42	178.7	47.9	0	0	0	0	112.7	F468 R469 D470	S466-F468 PolarHBondContact O-N 3.27Å; S466-F468 VanDerWaalsContact O-N 3.16Å; S466-R469 PolarHBondContact O-N 3.36Å; S466-R469 VanDerWaalsContact O-N 3.12Å; S466-D470 WeakPolarHBondContact O-CB 3.48Å; S466-D470 VanDerWaalsContact O-CG 3.28Å; S466-D470 PolarHBondContact O-N 2.82Å
467	K	92.2	Very high	92.3	Very high	60 Å²	60	33.8 Å²	33.8	26%	0.261	19%	0.194	S	C	.	.	H	α-helix	trans	-54.1	-39.5	176	-78.6	-165.8	173.9	-161.8	0	112	N465 S471 S472 V473 F477 E480	N465-K467 PolarHBondContact O-N 2.9Å; N465-K467 PolarHBondContact OD1-N 2.79Å; K467-S471 PolarHBondContact O-N 3Å; K467-S472 WeakPolarHBondContact CA-OG 3.17Å; K467-S472 PolarHBondContact O-N 3.22Å; K467-S472 PolarHBondContact O-OG 3.06Å; K467-V473 HydrophobicContact CB-CG1 4.5Å; K467-F477 HydrophobicContact CB-CD2 4.04Å; K467-F477 HydrophobicContact CB-CE2 3.84Å; K467-F477 HydrophobicContact CD-CD2 4Å; K467-F477 HydrophobicContact CD-CE2 4.39Å; K467-E480 IonicContact NZ-OE2 2.66Å; K467-E480 PolarHBondContact NZ-OE2 3.38Å
468	F	94.4	Very high	92.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-72	-45	178.3	-173	-90.2	0	0	0	112.2	V264 V272 I274 I371 Y433 I437 V462 L463 N465 S466 D470 S471 V473 F477	V264-F468 HydrophobicContact CG2-CD2 3.88Å; V264-F468 HydrophobicContact CG2-CE2 3.81Å; V272-F468 HydrophobicContact CG1-CE2 3.96Å; V272-F468 HydrophobicContact CG1-CZ 3.88Å; I274-F468 HydrophobicContact CD1-CE2 3.95Å; I274-F468 HydrophobicContact CD1-CZ 3.98Å; I274-F468 HydrophobicContact CG1-CZ 4.42Å; I371-F468 HydrophobicContact CD1-CE1 4.39Å; I371-F468 HydrophobicContact CD1-CZ 4.46Å; Y433-F468 WeakPolarHBondContact CE1-O 3.27Å; Y433-F468 VanDerWaalsContact OH-CE1 3.29Å; Y433-F468 WeakPolarHBondContact OH-CE1 3.39Å; Y433-F468 WeakPolarHBondContact OH-CZ 3.16Å; Y433-F468 PolarHBondContact OH-O 3.28Å; I437-F468 HydrophobicContact CD1-CD1 3.96Å; I437-F468 HydrophobicContact CD1-CE1 3.89Å; I437-F468 HydrophobicContact CG1-CD1 4.47Å; I437-F468 HydrophobicContact CG1-CE1 3.96Å; V462-F468 HydrophobicContact CG1-CD2 4.12Å; V462-F468 HydrophobicContact CG1-CE2 4.44Å; V462-F468 HydrophobicContact CG1-CG 4.46Å; V462-F468 WeakPolarHBondContact O-CB 3.21Å; L463-F468 HydrophobicContact CD2-CD1 4.18Å; L463-F468 HydrophobicContact CD2-CE1 3.47Å; L463-F468 VanDerWaalsContact CD2-CE1 3.47Å; L463-F468 HydrophobicContact CD2-CZ 3.83Å; N465-F468 PolarHBondContact O-N 3.37Å; N465-F468 VanDerWaalsContact O-N 3.16Å; S466-F468 PolarHBondContact O-N 3.27Å; S466-F468 VanDerWaalsContact O-N 3.16Å; F468-D470 PolarHBondContact O-N 3.25Å; F468-S471 PolarHBondContact O-N 2.88Å; F468-V473 HydrophobicContact CB-CG1 4.24Å; F468-V473 HydrophobicContact CD2-CG1 4.16Å; F468-F477 HydrophobicContact CB-CZ 4.33Å
469	R	93.3	Very high	91.7	Very high	90 Å²	90	36.2 Å²	36.2	34%	0.34	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-41.4	176.5	-72.8	-176	169.8	-114.7	-7.7	112.8	Y433 I437 D438 L463 N465 S466 S471	Y433-R469 WeakPolarHBondContact CE1-O 3.38Å; I437-R469 HydrophobicContact CD1-CB 4.42Å; I437-R469 HydrophobicContact CD1-CG 3.97Å; D438-R469 IonicContact OD1-CZ 2.88Å; D438-R469 IonicContact OD1-NH1 3.87Å; D438-R469 PolarHBondContact OD1-NH1 3.36Å; D438-R469 IonicContact OD1-NH2 2.77Å; D438-R469 PolarHBondContact OD1-NH2 3.39Å; D438-R469 IonicContact OD2-NH1 3.91Å; L463-R469 PolarHBondContact O-NE 2.66Å; N465-R469 PolarHBondContact O-N 2.75Å; N465-R469 VanDerWaalsContact O-N 3.09Å; S466-R469 PolarHBondContact O-N 3.36Å; S466-R469 VanDerWaalsContact O-N 3.12Å; R469-S471 PolarHBondContact O-N 2.9Å
470	D	89.7	Confident	91.4	Very high	104 Å²	104	39.5 Å²	39.5	56%	0.556	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	1.3	179.4	-58.3	-31.6	0	0	0	112.8	N279 S466 F468 S472	N279-D470 PolarHBondContact ND2-O 2.98Å; S466-D470 WeakPolarHBondContact O-CB 3.48Å; S466-D470 VanDerWaalsContact O-CG 3.28Å; S466-D470 PolarHBondContact O-N 2.82Å; F468-D470 PolarHBondContact O-N 3.25Å; D470-S472 PolarHBondContact O-N 2.79Å
471	S	86.1	Confident	91.1	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.063	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	34	-178.9	-47.2	0	0	0	0	114.2	P278 Y433 K467 F468 R469	P278-S471 WeakPolarHBondContact CB-OG 3.38Å; Y433-S471 WeakPolarHBondContact CE1-OG 3.36Å; K467-S471 PolarHBondContact O-N 3Å; F468-S471 PolarHBondContact O-N 2.88Å; R469-S471 PolarHBondContact O-N 2.9Å
472	S	86.9	Confident	90.8	Very high	65 Å²	65	40.3 Å²	40.3	46%	0.455	23%	0.229	S	C	.	.			trans	-102.6	39.5	177.3	54.3	0	0	0	0	111.6	K467 D470	K467-S472 WeakPolarHBondContact CA-OG 3.17Å; K467-S472 PolarHBondContact O-N 3.22Å; K467-S472 PolarHBondContact O-OG 3.06Å; D470-S472 PolarHBondContact O-N 2.79Å
473	V	91.3	Very high	90.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	25%	0.249	C	C	.	.			trans	-93.5	146.9	178.1	-66.5	0	0	0	0	111.8	R240 V264 K467 F468 F477	R240-V473 VanDerWaalsContact CG-O 3.29Å; R240-V473 WeakPolarHBondContact CG-O 3.06Å; V264-V473 HydrophobicContact CG2-CB 4.4Å; V264-V473 HydrophobicContact CG2-CG1 4.45Å; V264-V473 HydrophobicContact CG2-CG2 4.29Å; K467-V473 HydrophobicContact CB-CG1 4.5Å; F468-V473 HydrophobicContact CB-CG1 4.24Å; F468-V473 HydrophobicContact CD2-CG1 4.16Å; V473-F477 HydrophobicContact CB-CB 4.29Å; V473-F477 HydrophobicContact CB-CG 4.32Å; V473-F477 HydrophobicContact CG1-CB 4.32Å; V473-F477 HydrophobicContact CG1-CD1 4.06Å; V473-F477 HydrophobicContact CG1-CD2 3.95Å; V473-F477 HydrophobicContact CG1-CE1 4.41Å; V473-F477 HydrophobicContact CG1-CE2 4.31Å; V473-F477 HydrophobicContact CG1-CG 3.82Å
474	D	92.1	Very high	90.2	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.102	25%	0.25	C	C	.	.			trans	-136.3	177.1	171.8	59.2	45.9	0	0	0	108.7	R238 C476 F477	R238-D474 HydrophobicContact CB-CB 4.18Å; R238-D474 WeakPolarHBondContact CD-OD2 3.4Å; D474-C476 PolarHBondContact O-N 3.33Å; D474-C476 VanDerWaalsContact O-N 3.13Å; D474-C476 VanDerWaalsContact OD1-CA 3.29Å; D474-C476 WeakPolarHBondContact OD1-CA 3.43Å; D474-C476 VanDerWaalsContact OD1-CB 3.28Å; D474-C476 WeakPolarHBondContact OD1-CB 3.43Å; D474-C476 PolarHBondContact OD1-N 3.29Å; D474-F477 WeakPolarHBondContact O-CB 3.35Å; D474-F477 PolarHBondContact O-N 2.67Å; D474-F477 PolarHBondContact OD1-N 3.41Å; D474-F477 VanDerWaalsContact OD1-N 3.12Å
475	T	89.6	Confident	89.9	Confident	20 Å²	20	44.8 Å²	44.8	12%	0.123	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-8.6	179.1	46.4	0	0	0	0	115.5	P239 H241 S263	P239-T475 WeakPolarHBondContact CD-OG1 3.45Å; P239-T475 WeakPolarHBondContact CG-OG1 3.22Å; P239-T475 WeakPolarHBondContact O-CB 3.45Å; P239-T475 WeakPolarHBondContact O-CG2 3.3Å; P239-T475 PolarHBondContact O-N 3.25Å; P239-T475 PolarHBondContact O-OG1 3.33Å; H241-T475 HydrophobicContact CB-CG2 3.91Å; S263-T475 WeakPolarHBondContact O-CA 3.31Å
476	C	87.8	Confident	89.3	Confident	33 Å²	33	50.8 Å²	50.8	22%	0.223	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-4.9	173.6	-58.5	0	0	0	0	112.5	D474 I478 D479 E480	D474-C476 PolarHBondContact O-N 3.33Å; D474-C476 VanDerWaalsContact O-N 3.13Å; D474-C476 VanDerWaalsContact OD1-CA 3.29Å; D474-C476 WeakPolarHBondContact OD1-CA 3.43Å; D474-C476 VanDerWaalsContact OD1-CB 3.28Å; D474-C476 WeakPolarHBondContact OD1-CB 3.43Å; D474-C476 PolarHBondContact OD1-N 3.29Å; C476-I478 VanDerWaalsContact C-N 3.35Å; C476-I478 PolarHBondContact O-N 2.87Å; C476-D479 PolarHBondContact O-N 2.93Å; C476-D479 VanDerWaalsContact O-N 3.12Å; C476-E480 HydrophobicContact CB-CG 4.29Å; C476-E480 PolarHBondContact O-N 3.16Å
477	F	92.2	Very high	88.7	Confident	1 Å²	1	50 Å²	50	0%	0.004	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-45.9	-172.9	163.3	-112.3	0	0	0	114.5	V264 V462 N465 K467 F468 V473 D474 N481 L484	V264-F477 HydrophobicContact CG1-CD1 4.26Å; V264-F477 HydrophobicContact CG1-CE1 4.38Å; V264-F477 HydrophobicContact CG2-CD1 4.19Å; V462-F477 HydrophobicContact CG1-CE1 4.09Å; V462-F477 HydrophobicContact CG2-CE1 4.35Å; N465-F477 HydrophobicContact CB-CE2 4.31Å; N465-F477 HydrophobicContact CB-CZ 4.04Å; K467-F477 HydrophobicContact CB-CD2 4.04Å; K467-F477 HydrophobicContact CB-CE2 3.84Å; K467-F477 HydrophobicContact CD-CD2 4Å; K467-F477 HydrophobicContact CD-CE2 4.39Å; F468-F477 HydrophobicContact CB-CZ 4.33Å; V473-F477 HydrophobicContact CB-CB 4.29Å; V473-F477 HydrophobicContact CB-CG 4.32Å; V473-F477 HydrophobicContact CG1-CB 4.32Å; V473-F477 HydrophobicContact CG1-CD1 4.06Å; V473-F477 HydrophobicContact CG1-CD2 3.95Å; V473-F477 HydrophobicContact CG1-CE1 4.41Å; V473-F477 HydrophobicContact CG1-CE2 4.31Å; V473-F477 HydrophobicContact CG1-CG 3.82Å; D474-F477 WeakPolarHBondContact O-CB 3.35Å; D474-F477 PolarHBondContact O-N 2.67Å; D474-F477 PolarHBondContact OD1-N 3.41Å; D474-F477 VanDerWaalsContact OD1-N 3.12Å; F477-N481 WeakPolarHBondContact O-CB 3.29Å; F477-N481 PolarHBondContact O-N 2.88Å; F477-N481 PolarHBondContact O-ND2 2.85Å; F477-L484 HydrophobicContact CE1-CD1 4.12Å; F477-L484 HydrophobicContact CZ-CD1 4Å; F477-L484 HydrophobicContact CZ-CD2 4.45Å
478	I	89.6	Confident	87.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-40.7	-177.5	-73.3	169.3	0	0	0	111.2	V264 Q265 R266 I271 F458 C476 N481 L484 F485	V264-I478 HydrophobicContact CG1-CD1 3.72Å; V264-I478 HydrophobicContact CG1-CG1 4.35Å; Q265-I478 WeakPolarHBondContact O-CD1 3.47Å; R266-I478 HydrophobicContact CB-CD1 4.45Å; R266-I478 HydrophobicContact CB-CG2 4.45Å; R266-I478 HydrophobicContact CG-CG2 4.43Å; I271-I478 HydrophobicContact CD1-CD1 4.17Å; F458-I478 HydrophobicContact CE1-CD1 4.19Å; F458-I478 HydrophobicContact CE2-CG2 4.31Å; F458-I478 HydrophobicContact CZ-CD1 3.79Å; F458-I478 HydrophobicContact CZ-CG1 4.02Å; F458-I478 HydrophobicContact CZ-CG2 3.88Å; C476-I478 VanDerWaalsContact C-N 3.35Å; C476-I478 PolarHBondContact O-N 2.87Å; I478-N481 PolarHBondContact O-N 3.36Å; I478-L484 HydrophobicContact CG1-CD1 4.2Å; I478-F485 HydrophobicContact CG2-CE2 4.24Å; I478-F485 HydrophobicContact CG2-CZ 3.78Å
479	D	84.6	Confident	86.4	Confident	105 Å²	105	58.6 Å²	58.6	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-30.5	-179.3	-62.2	-34.5	0	0	0	111.9	C476 N481	C476-D479 PolarHBondContact O-N 2.93Å; C476-D479 VanDerWaalsContact O-N 3.12Å; D479-N481 VanDerWaalsContact C-N 3.3Å; D479-N481 PolarHBondContact O-N 3.3Å
480	E	88.6	Confident	85.2	Confident	69 Å²	69	58.4 Å²	58.4	32%	0.322	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.4	172.5	-76.2	-164	171.3	0	0	114.6	R238 K467 C476 P482	R238-E480 IonicContact CZ-OE1 2.34Å; R238-E480 IonicContact NE-OE1 3.21Å; R238-E480 PolarHBondContact NE-OE1 3.44Å; R238-E480 IonicContact NH2-OE1 2.72Å; R238-E480 PolarHBondContact NH2-OE1 3.49Å; K467-E480 IonicContact NZ-OE2 2.66Å; K467-E480 PolarHBondContact NZ-OE2 3.38Å; C476-E480 HydrophobicContact CB-CG 4.29Å; C476-E480 PolarHBondContact O-N 3.16Å; E480-P482 VanDerWaalsContact C-CD 3.5Å; E480-P482 WeakPolarHBondContact O-CD 3.35Å
481	N	89.2	Confident	84.3	Confident	12 Å²	12	59.2 Å²	59.2	6%	0.064	33%	0.328	C	S	.	.			trans	-123.8	71.7	-172.9	-73.2	-100.4	0	0	0	113.3	N465 F477 I478 D479 Q483 L484	N465-N481 PolarHBondContact ND2-OD1 2.93Å; F477-N481 WeakPolarHBondContact O-CB 3.29Å; F477-N481 PolarHBondContact O-N 2.88Å; F477-N481 PolarHBondContact O-ND2 2.85Å; I478-N481 PolarHBondContact O-N 3.36Å; D479-N481 VanDerWaalsContact C-N 3.3Å; D479-N481 PolarHBondContact O-N 3.3Å; N481-Q483 VanDerWaalsContact CA-OE1 3.23Å; N481-Q483 PolarHBondContact O-N 3.22Å; N481-Q483 PolarHBondContact OD1-NE2 2.83Å; N481-L484 HydrophobicContact CB-CD1 3.68Å; N481-L484 HydrophobicContact CB-CG 3.8Å; N481-L484 VanDerWaalsContact O-CB 3.31Å; N481-L484 WeakPolarHBondContact O-CB 3.31Å; N481-L484 VanDerWaalsContact O-CG 3.32Å; N481-L484 WeakPolarHBondContact O-CG 3.46Å; N481-L484 PolarHBondContact O-N 2.77Å
482	P	87.5	Confident	83.8	Confident	89 Å²	89	61.3 Å²	61.3	58%	0.578	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-55.9	-23.9	179	-26.3	35.3	0	0	0	115.2	E480 L484 F485	E480-P482 VanDerWaalsContact C-CD 3.5Å; E480-P482 WeakPolarHBondContact O-CD 3.35Å; P482-L484 PolarHBondContact O-N 2.98Å; P482-F485 WeakPolarHBondContact O-CD2 3.46Å; P482-F485 PolarHBondContact O-N 3.14Å; P482-F485 VanDerWaalsContact O-N 3.14Å
483	Q	88.9	Confident	83.6	Confident	89 Å²	89	61 Å²	61	42%	0.416	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.3	175.6	77.3	-74.7	9	0	0	113.4	N465 N481 F485 Q486	N465-Q483 PolarHBondContact ND2-NE2 3.27Å; N481-Q483 VanDerWaalsContact CA-OE1 3.23Å; N481-Q483 PolarHBondContact O-N 3.22Å; N481-Q483 PolarHBondContact OD1-NE2 2.83Å; Q483-F485 PolarHBondContact O-N 2.93Å; Q483-Q486 WeakPolarHBondContact O-CB 3.3Å; Q483-Q486 PolarHBondContact O-N 2.84Å; Q483-Q486 VanDerWaalsContact O-N 3.11Å
484	L	88.6	Confident	83.4	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-60.7	-24.7	172	-65.4	174.3	0	0	0	112.5	F458 N461 V462 N465 F477 I478 N481 P482 Q486 F487	F458-L484 HydrophobicContact CD2-CB 4.24Å; F458-L484 HydrophobicContact CE2-CB 3.85Å; F458-L484 HydrophobicContact CE2-CD1 4.41Å; N461-L484 HydrophobicContact CB-CD2 4.11Å; N461-L484 PolarHBondContact ND2-O 3.45Å; N461-L484 WeakPolarHBondContact O-CD2 3.32Å; V462-L484 HydrophobicContact CG2-CD1 4.14Å; V462-L484 HydrophobicContact CG2-CD2 4.05Å; N465-L484 HydrophobicContact CB-CD2 4.27Å; F477-L484 HydrophobicContact CE1-CD1 4.12Å; F477-L484 HydrophobicContact CZ-CD1 4Å; F477-L484 HydrophobicContact CZ-CD2 4.45Å; I478-L484 HydrophobicContact CG1-CD1 4.2Å; N481-L484 HydrophobicContact CB-CD1 3.68Å; N481-L484 HydrophobicContact CB-CG 3.8Å; N481-L484 VanDerWaalsContact O-CB 3.31Å; N481-L484 WeakPolarHBondContact O-CB 3.31Å; N481-L484 VanDerWaalsContact O-CG 3.32Å; N481-L484 WeakPolarHBondContact O-CG 3.46Å; N481-L484 PolarHBondContact O-N 2.77Å; P482-L484 PolarHBondContact O-N 2.98Å; L484-Q486 VanDerWaalsContact C-N 3.35Å; L484-F487 VanDerWaalsContact O-CE1 3.28Å; L484-F487 WeakPolarHBondContact O-CE1 3.4Å
485	F	87.3	Confident	83	Confident	73 Å²	73	62 Å²	62	32%	0.32	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-91.2	5.3	-179.8	-53.5	-97.5	0	0	0	113.1	F384 F458 I478 P482 Q483 F487	F384-F485 HydrophobicContact CE2-CD1 4.14Å; F384-F485 AromaticContact CE2-CE1 3.75Å; F384-F485 HydrophobicContact CE2-CE1 3.75Å; F384-F485 HydrophobicContact CZ-CE1 4.4Å; F458-F485 HydrophobicContact CE2-CE1 4.17Å; F458-F485 HydrophobicContact CE2-CZ 4.16Å; I478-F485 HydrophobicContact CG2-CE2 4.24Å; I478-F485 HydrophobicContact CG2-CZ 3.78Å; P482-F485 WeakPolarHBondContact O-CD2 3.46Å; P482-F485 PolarHBondContact O-N 3.14Å; P482-F485 VanDerWaalsContact O-N 3.14Å; Q483-F485 PolarHBondContact O-N 2.93Å; F485-F487 VanDerWaalsContact CA-CZ 3.43Å; F485-F487 HydrophobicContact CB-CE2 4.46Å; F485-F487 HydrophobicContact CB-CZ 4.17Å; F485-F487 WeakPolarHBondContact O-CD2 3.43Å; F485-F487 WeakPolarHBondContact O-CE2 3.42Å; F485-F487 PolarHBondContact O-N 3.38Å
486	Q	82.8	Confident	83	Confident	144 Å²	144	64.1 Å²	64.1	67%	0.673	34%	0.341	S	S	*	.			trans	-89.6	101.3	174.3	-63.4	-177.6	10.7	0	0	110	N461 Q483 L484	N461-Q486 PolarHBondContact ND2-O 3.22Å; Q483-Q486 WeakPolarHBondContact O-CB 3.3Å; Q483-Q486 PolarHBondContact O-N 2.84Å; Q483-Q486 VanDerWaalsContact O-N 3.11Å; L484-Q486 VanDerWaalsContact C-N 3.35Å
487	F	81.1	Confident	83.2	Confident	61 Å²	61	62.6 Å²	62.6	27%	0.268	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-98.4	131.5	-176.5	-47.5	-59.6	0	0	0	111.6	P380 P457 F458 L484 F485 P489	P380-F487 HydrophobicContact CB-CE1 3.92Å; P380-F487 HydrophobicContact CB-CE2 3.62Å; P380-F487 HydrophobicContact CB-CZ 3.23Å; P380-F487 HydrophobicContact CG-CZ 4.32Å; P457-F487 HydrophobicContact CB-CD1 3.91Å; P457-F487 HydrophobicContact CB-CG 4.49Å; F458-F487 HydrophobicContact CB-CE1 3.95Å; F458-F487 HydrophobicContact CB-CZ 4.45Å; F458-F487 HydrophobicContact CD2-CE1 4.44Å; L484-F487 VanDerWaalsContact O-CE1 3.28Å; L484-F487 WeakPolarHBondContact O-CE1 3.4Å; F485-F487 VanDerWaalsContact CA-CZ 3.43Å; F485-F487 HydrophobicContact CB-CE2 4.46Å; F485-F487 HydrophobicContact CB-CZ 4.17Å; F485-F487 WeakPolarHBondContact O-CD2 3.43Å; F485-F487 WeakPolarHBondContact O-CE2 3.42Å; F485-F487 PolarHBondContact O-N 3.38Å; F487-P489 WeakPolarHBondContact O-CD 3.14Å
488	T	71.5	Confident	83.2	Confident	127 Å²	127	62.5 Å²	62.5	78%	0.779	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-78.7	117.9	170.6	-65	0	0	0	0	109.4	S490	T488-S490 PolarHBondContact O-N 2.86Å
489	P	65.8	Low	83.3	Confident	113 Å²	113	64.2 Å²	64.2	73%	0.734	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-66.9	129.6	-178	26.2	-33.9	0	0	0	111.3	F487 Q491	F487-P489 WeakPolarHBondContact O-CD 3.14Å; P489-Q491 PolarHBondContact O-N 2.84Å
490	S	69	Low	83.7	Confident	85 Å²	85	59.2 Å²	59.2	59%	0.594	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-71.5	122.4	178.2	-169.3	0	0	0	0	110.8	T488 N492	T488-S490 PolarHBondContact O-N 2.86Å; S490-N492 PolarHBondContact O-N 3.38Å; S490-N492 VanDerWaalsContact O-N 3.14Å
491	Q	69.6	Low	84	Confident	121 Å²	121	56 Å²	56	57%	0.565	30%	0.298	S	S	*	.			trans	-55.8	-31.1	177.2	-64.6	-179.5	-14.3	0	0	113.3	P489 R493 R496	P489-Q491 PolarHBondContact O-N 2.84Å; Q491-R493 HydrophobicContact CB-CG 4.36Å; Q491-R493 PolarHBondContact O-N 2.88Å; Q491-R493 VanDerWaalsContact OE1-CZ 3.26Å; Q491-R496 PolarHBondContact O-NE 2.86Å
492	N	76.4	Confident	84.1	Confident	53 Å²	53	56.6 Å²	56.6	28%	0.283	30%	0.3	S	S	.	.			trans	46.5	30	174.1	-150.4	23.1	0	0	0	115.7	R450 S490 A494 Q495 R496	R450-N492 PolarHBondContact NE-OD1 3.22Å; R450-N492 VanDerWaalsContact NE-OD1 3.16Å; R450-N492 PolarHBondContact NH2-OD1 3.34Å; S490-N492 PolarHBondContact O-N 3.38Å; S490-N492 VanDerWaalsContact O-N 3.14Å; N492-A494 VanDerWaalsContact C-N 3.34Å; N492-A494 PolarHBondContact O-N 3.3Å; N492-A494 VanDerWaalsContact O-N 3.15Å; N492-Q495 WeakPolarHBondContact ND2-CB 3.49Å; N492-Q495 WeakPolarHBondContact O-CB 3.49Å; N492-Q495 PolarHBondContact O-N 2.74Å; N492-R496 PolarHBondContact O-N 3.33Å
493	R	83.2	Confident	84.4	Confident	60 Å²	60	53.6 Å²	53.6	23%	0.226	28%	0.278	C	S	.	.	H	α-helix	trans	-48.9	-46.1	-167.6	-80	179.8	-87	162.5	-6.2	114.3	Q491 Q495 R496 L497 P1027 L1050 E1051	Q491-R493 HydrophobicContact CB-CG 4.36Å; Q491-R493 PolarHBondContact O-N 2.88Å; Q491-R493 VanDerWaalsContact OE1-CZ 3.26Å; R493-Q495 PolarHBondContact O-N 3.04Å; R493-R496 PolarHBondContact O-N 2.89Å; R493-L497 PolarHBondContact O-N 3.38Å; R493-P1027 HydrophobicContact CG-CG 4.23Å; R493-L1050 HydrophobicContact CB-CD1 3.93Å; R493-L1050 HydrophobicContact CB-CD2 4.41Å; R493-E1051 IonicContact CZ-OE1 2.71Å; R493-E1051 IonicContact NH1-OE1 3.81Å; R493-E1051 PolarHBondContact NH1-OE1 2.85Å; R493-E1051 IonicContact NH2-OE1 3.5Å; R493-E1051 PolarHBondContact NH2-OE1 3.16Å
494	A	85.4	Confident	84.6	Confident	20 Å²	20	49.6 Å²	49.6	17%	0.165	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-44.7	178.4	0	0	0	0	0	112.8	N492 R496 L497 L498 L1056 L1078	N492-A494 VanDerWaalsContact C-N 3.34Å; N492-A494 PolarHBondContact O-N 3.3Å; N492-A494 VanDerWaalsContact O-N 3.15Å; A494-R496 VanDerWaalsContact C-N 3.33Å; A494-R496 PolarHBondContact O-N 3.45Å; A494-L497 PolarHBondContact O-N 2.75Å; A494-L498 WeakPolarHBondContact O-CG 3.28Å; A494-L498 PolarHBondContact O-N 3.46Å; A494-L1056 HydrophobicContact CB-CD1 3.56Å; A494-L1056 HydrophobicContact CB-CD2 3.96Å; A494-L1056 HydrophobicContact CB-CG 4.43Å; A494-L1078 HydrophobicContact CB-CD1 4.48Å; A494-L1078 HydrophobicContact CB-CD2 3.99Å
495	Q	84.4	Confident	84.8	Confident	24 Å²	24	51 Å²	51	11%	0.112	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-39.1	176.4	-174.8	83	4.9	0	0	111.7	E392 N492 R493 L498 T499	E392-Q495 PolarHBondContact OE2-NE2 2.93Å; N492-Q495 WeakPolarHBondContact ND2-CB 3.49Å; N492-Q495 WeakPolarHBondContact O-CB 3.49Å; N492-Q495 PolarHBondContact O-N 2.74Å; R493-Q495 PolarHBondContact O-N 3.04Å; Q495-L498 PolarHBondContact O-N 3.45Å; Q495-T499 WeakPolarHBondContact O-CB 3.06Å; Q495-T499 PolarHBondContact O-N 2.94Å; Q495-T499 PolarHBondContact O-OG1 2.85Å
496	R	89.7	Confident	85	Confident	65 Å²	65	48.2 Å²	48.2	25%	0.245	26%	0.255	C	S	.	.	H	α-helix	trans	-64	-41.3	178.1	-63.8	-171.8	174.3	-169.3	-7.4	111.3	Q491 N492 R493 A494 T499 F500 R1022 N1023 I1024 Y1025	Q491-R496 PolarHBondContact O-NE 2.86Å; N492-R496 PolarHBondContact O-N 3.33Å; R493-R496 PolarHBondContact O-N 2.89Å; A494-R496 VanDerWaalsContact C-N 3.33Å; A494-R496 PolarHBondContact O-N 3.45Å; R496-T499 WeakPolarHBondContact O-CB 3.47Å; R496-T499 PolarHBondContact O-N 3.22Å; R496-F500 PolarHBondContact O-N 2.7Å; R496-R1022 PolarHBondContact NH1-O 3.33Å; R496-N1023 PolarHBondContact NE-O 3.13Å; R496-N1023 PolarHBondContact NH1-O 2.95Å; R496-N1023 VanDerWaalsContact NH1-O 3.08Å; R496-N1023 PolarHBondContact NH1-OD1 2.64Å; R496-N1023 PolarHBondContact NH2-O 2.76Å; R496-N1023 VanDerWaalsContact NH2-O 3.12Å; R496-N1023 PolarHBondContact NH2-OD1 2.74Å; R496-I1024 WeakPolarHBondContact CB-O 3.48Å; R496-I1024 WeakPolarHBondContact CG-O 3.25Å; R496-Y1025 CarbonylContact C-O 3.59Å; R496-Y1025 VanDerWaalsContact CB-C 3.5Å; R496-Y1025 WeakPolarHBondContact CB-O 3.44Å
497	L	92.7	Very high	85.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-40.6	173	-67.5	-179.7	0	0	0	113.2	R493 A494 T499 F500 L501 V1028 L1031 V1048 L1050 L1056	R493-L497 PolarHBondContact O-N 3.38Å; A494-L497 PolarHBondContact O-N 2.75Å; L497-T499 PolarHBondContact O-N 3.11Å; L497-F500 WeakPolarHBondContact O-CB 3.31Å; L497-F500 PolarHBondContact O-N 3.39Å; L497-L501 WeakPolarHBondContact O-CG 3.07Å; L497-L501 PolarHBondContact O-N 2.94Å; L497-V1028 HydrophobicContact CD2-CG1 4.13Å; L497-L1031 HydrophobicContact CD1-CD2 4.36Å; L497-L1031 HydrophobicContact CD2-CD1 4.25Å; L497-L1031 HydrophobicContact CD2-CD2 4.21Å; L497-L1031 HydrophobicContact CD2-CG 4.11Å; L497-V1048 HydrophobicContact CD1-CG1 4.02Å; L497-L1050 HydrophobicContact CD1-CD2 3.83Å; L497-L1056 HydrophobicContact CD1-CD1 4.21Å
498	L	91.5	Very high	85.7	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.3	-32.7	172.3	-65.3	-178.8	0	0	0	111.9	A494 Q495 F500 L501 K502 I1058 L1076 L1078 R1083 F1085	A494-L498 WeakPolarHBondContact O-CG 3.28Å; A494-L498 PolarHBondContact O-N 3.46Å; Q495-L498 PolarHBondContact O-N 3.45Å; L498-F500 VanDerWaalsContact C-N 3.35Å; L498-L501 PolarHBondContact O-N 3.24Å; L498-K502 WeakPolarHBondContact O-CB 3.47Å; L498-K502 WeakPolarHBondContact O-CG 3.3Å; L498-K502 PolarHBondContact O-N 3.42Å; L498-I1058 HydrophobicContact CD2-CD1 4.18Å; L498-I1058 HydrophobicContact CD2-CG1 4.36Å; L498-I1058 HydrophobicContact CD2-CG2 3.65Å; L498-L1076 HydrophobicContact CD2-CB 4.43Å; L498-L1076 HydrophobicContact CD2-CD1 4.22Å; L498-L1076 HydrophobicContact CD2-CD2 4.18Å; L498-L1078 HydrophobicContact CD1-CB 4.08Å; L498-L1078 HydrophobicContact CD1-CD2 3.97Å; L498-L1078 HydrophobicContact CD1-CG 4.43Å; L498-R1083 HydrophobicContact CD1-CG 4.04Å; L498-F1085 HydrophobicContact CB-CE2 3.95Å; L498-F1085 HydrophobicContact CB-CZ 3.92Å; L498-F1085 HydrophobicContact CD1-CE2 4.03Å; L498-F1085 HydrophobicContact CD1-CZ 3.73Å; L498-F1085 HydrophobicContact CG-CZ 4.48Å
499	T	90.7	Very high	86.6	Confident	35 Å²	35	38.5 Å²	38.5	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-67.8	-34.8	175	-61.1	0	0	0	0	111.4	Q495 R496 L497 K502 E503 Y1025	Q495-T499 WeakPolarHBondContact O-CB 3.06Å; Q495-T499 PolarHBondContact O-N 2.94Å; Q495-T499 PolarHBondContact O-OG1 2.85Å; R496-T499 WeakPolarHBondContact O-CB 3.47Å; R496-T499 PolarHBondContact O-N 3.22Å; L497-T499 PolarHBondContact O-N 3.11Å; T499-K502 WeakPolarHBondContact O-CG 3.35Å; T499-E503 WeakPolarHBondContact O-CB 3.02Å; T499-E503 PolarHBondContact O-N 2.81Å; T499-Y1025 HydrophobicContact CG2-CD1 4.28Å; T499-Y1025 HydrophobicContact CG2-CE1 4.12Å
500	F	94.3	Very high	87.6	Confident	1 Å²	1	36 Å²	36	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-51.8	169.2	177.6	-95	0	0	0	111.5	R496 L497 L498 K502 E503 V504 M510 F1021 Y1025 V1028 L1031 F1036	R496-F500 PolarHBondContact O-N 2.7Å; L497-F500 WeakPolarHBondContact O-CB 3.31Å; L497-F500 PolarHBondContact O-N 3.39Å; L498-F500 VanDerWaalsContact C-N 3.35Å; F500-K502 PolarHBondContact O-N 3.03Å; F500-E503 PolarHBondContact O-N 2.93Å; F500-V504 HydrophobicContact CD1-CG2 4.3Å; F500-V504 HydrophobicContact CD2-CG2 4.38Å; F500-V504 HydrophobicContact CE1-CG2 3.9Å; F500-V504 HydrophobicContact CE2-CG2 3.99Å; F500-V504 HydrophobicContact CZ-CG2 3.75Å; F500-V504 WeakPolarHBondContact O-CG2 3.44Å; F500-V504 PolarHBondContact O-N 3.02Å; F500-M510 HydrophobicContact CD2-CE 3.86Å; F500-M510 HydrophobicContact CD2-SD 3.54Å; F500-M510 VanDerWaalsContact CD2-SD 3.54Å; F500-M510 HydrophobicContact CE2-CE 4.21Å; F500-M510 HydrophobicContact CE2-CG 4.33Å; F500-M510 HydrophobicContact CE2-SD 3.43Å; F500-M510 WeakPolarHBondContact CE2-SD 3.34Å; F500-F1021 AromaticContact CD2-CZ 3.93Å; F500-F1021 HydrophobicContact CD2-CZ 3.93Å; F500-F1021 AromaticContact CE2-CZ 3.88Å; F500-F1021 HydrophobicContact CE2-CZ 3.88Å; F500-Y1025 HydrophobicContact CB-CD1 3.73Å; F500-Y1025 HydrophobicContact CB-CG 4.25Å; F500-Y1025 HydrophobicContact CD2-CD1 4.21Å; F500-Y1025 HydrophobicContact CD2-CG 4.21Å; F500-Y1025 HydrophobicContact CG-CD1 4.5Å; F500-V1028 HydrophobicContact CB-CG1 4.24Å; F500-V1028 HydrophobicContact CD1-CG1 4.33Å; F500-V1028 HydrophobicContact CD2-CG1 3.83Å; F500-V1028 HydrophobicContact CE2-CG1 4.25Å; F500-V1028 HydrophobicContact CG-CG1 3.86Å; F500-L1031 HydrophobicContact CD1-CD1 3.47Å; F500-L1031 VanDerWaalsContact CD1-CD1 3.47Å; F500-L1031 HydrophobicContact CE1-CD1 3.61Å; F500-L1031 HydrophobicContact CG-CD1 4.44Å; F500-F1036 HydrophobicContact CE1-CD2 4.31Å; F500-F1036 HydrophobicContact CE2-CE2 4.41Å; F500-F1036 AromaticContact CZ-CD2 3.79Å; F500-F1036 HydrophobicContact CZ-CD2 3.79Å; F500-F1036 HydrophobicContact CZ-CE2 4.05Å; F500-F1036 WeakPolarHBondContact CZ-O 3.44Å
501	L	94.3	Very high	88.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.6	-38.1	-175.6	-68.3	171.1	0	0	0	113.1	L497 L498 K505 L1031 A1035 L1040 I1058	L497-L501 WeakPolarHBondContact O-CG 3.07Å; L497-L501 PolarHBondContact O-N 2.94Å; L498-L501 PolarHBondContact O-N 3.24Å; L501-K505 VanDerWaalsContact O-CB 3.25Å; L501-K505 WeakPolarHBondContact O-CB 3.36Å; L501-K505 PolarHBondContact O-N 3.04Å; L501-L1031 HydrophobicContact CD2-CD1 4.34Å; L501-A1035 HydrophobicContact CD2-CB 4.41Å; L501-L1040 HydrophobicContact CD1-CD1 4.22Å; L501-L1040 HydrophobicContact CD2-CG 4.38Å; L501-I1058 HydrophobicContact CD1-CD1 4.24Å; L501-I1058 HydrophobicContact CD1-CG2 3.87Å
502	K	91.8	Very high	88.9	Confident	26 Å²	26	30.5 Å²	30.5	11%	0.113	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-38.8	175	78.4	177.7	-168.8	156.9	0	112	L498 T499 F500 K505 V506 V1074 L1076 F1085 L1086 V1087	L498-K502 WeakPolarHBondContact O-CB 3.47Å; L498-K502 WeakPolarHBondContact O-CG 3.3Å; L498-K502 PolarHBondContact O-N 3.42Å; T499-K502 WeakPolarHBondContact O-CG 3.35Å; F500-K502 PolarHBondContact O-N 3.03Å; K502-K505 PolarHBondContact O-N 3.23Å; K502-V506 WeakPolarHBondContact O-CG2 3.46Å; K502-V506 PolarHBondContact O-N 3.41Å; K502-V1074 HydrophobicContact CB-CB 4.05Å; K502-V1074 HydrophobicContact CB-CG1 3.98Å; K502-V1074 HydrophobicContact CB-CG2 4.22Å; K502-L1076 HydrophobicContact CB-CD1 4.25Å; K502-F1085 HydrophobicContact CB-CD2 4.5Å; K502-F1085 HydrophobicContact CD-CB 3.38Å; K502-F1085 HydrophobicContact CD-CD1 4.33Å; K502-F1085 HydrophobicContact CD-CD2 4.02Å; K502-F1085 HydrophobicContact CD-CG 3.67Å; K502-L1086 PolarHBondContact NZ-O 3.23Å; K502-V1087 HydrophobicContact CB-CG2 3.94Å; K502-V1087 HydrophobicContact CD-CG2 3.49Å; K502-V1087 VanDerWaalsContact CD-CG2 3.49Å; K502-V1087 HydrophobicContact CG-CG2 3.6Å
503	E	92.8	Very high	89.3	Confident	25 Å²	25	30.9 Å²	30.9	12%	0.117	17%	0.168	C	C	.	.	H	α-helix	trans	-70.3	-44.6	-177.6	-175.5	64.4	-155.5	0	0	110.3	T499 F500 K505 V506 N507 M510 Y1025 V1087 K1090	T499-E503 WeakPolarHBondContact O-CB 3.02Å; T499-E503 PolarHBondContact O-N 2.81Å; F500-E503 PolarHBondContact O-N 2.93Å; E503-K505 VanDerWaalsContact C-N 3.32Å; E503-K505 PolarHBondContact O-N 2.98Å; E503-V506 PolarHBondContact O-N 3.43Å; E503-N507 PolarHBondContact O-N 3.27Å; E503-N507 PolarHBondContact OE1-ND2 3.43Å; E503-M510 HydrophobicContact CB-CE 3.57Å; E503-M510 HydrophobicContact CG-CE 3.24Å; E503-Y1025 HydrophobicContact CB-CE1 4.5Å; E503-V1087 WeakPolarHBondContact OE2-CG1 3.04Å; E503-K1090 WeakPolarHBondContact OE1-CE 3.41Å; E503-K1090 IonicContact OE1-NZ 3.77Å; E503-K1090 PolarHBondContact OE1-NZ 3.39Å
504	V	93.3	Very high	89	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-35.9	173.4	176.9	0	0	0	0	111.9	F500 V506 G508 M510	F500-V504 HydrophobicContact CD1-CG2 4.3Å; F500-V504 HydrophobicContact CD2-CG2 4.38Å; F500-V504 HydrophobicContact CE1-CG2 3.9Å; F500-V504 HydrophobicContact CE2-CG2 3.99Å; F500-V504 HydrophobicContact CZ-CG2 3.75Å; F500-V504 WeakPolarHBondContact O-CG2 3.44Å; F500-V504 PolarHBondContact O-N 3.02Å; V504-V506 VanDerWaalsContact C-N 3.27Å; V504-V506 PolarHBondContact O-N 2.78Å; V504-G508 WeakPolarHBondContact CA-O 3.43Å; V504-G508 VanDerWaalsContact O-CA 3.22Å; V504-G508 WeakPolarHBondContact O-CA 3.34Å; V504-G508 PolarHBondContact O-N 3.29Å; V504-M510 HydrophobicContact CG2-CE 4.11Å; V504-M510 HydrophobicContact CG2-CG 4.07Å; V504-M510 HydrophobicContact CG2-SD 4.43Å
505	K	93	Very high	88.7	Confident	32 Å²	32	30.4 Å²	30.4	14%	0.139	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-24.5	177.8	-173.9	61.4	167.5	-169.3	0	113.8	L501 K502 E503 L1040 N1042 M1060 K1063	L501-K505 VanDerWaalsContact O-CB 3.25Å; L501-K505 WeakPolarHBondContact O-CB 3.36Å; L501-K505 PolarHBondContact O-N 3.04Å; K502-K505 PolarHBondContact O-N 3.23Å; E503-K505 VanDerWaalsContact C-N 3.32Å; E503-K505 PolarHBondContact O-N 2.98Å; K505-L1040 WeakPolarHBondContact CD-O 3.35Å; K505-L1040 WeakPolarHBondContact CE-O 3.18Å; K505-L1040 PolarHBondContact NZ-O 3.28Å; K505-N1042 WeakPolarHBondContact CE-OD1 3.33Å; K505-N1042 PolarHBondContact NZ-OD1 3.49Å; K505-M1060 HydrophobicContact CB-CE 3.78Å; K505-M1060 HydrophobicContact CD-CE 3.96Å; K505-M1060 HydrophobicContact CD-SD 4.27Å; K505-M1060 HydrophobicContact CG-CE 3.61Å; K505-M1060 HydrophobicContact CG-SD 3.97Å; K505-K1063 HydrophobicContact CG-CD 4.38Å; K505-K1063 WeakPolarHBondContact O-CD 3.14Å; K505-K1063 WeakPolarHBondContact O-CE 3.45Å; K505-K1063 PolarHBondContact O-NZ 3.2Å
506	V	91.1	Very high	88.6	Confident	15 Å²	15	36.9 Å²	36.9	9%	0.091	21%	0.205	C	C	.	.	H	α-helix	trans	-100.6	-54.9	-178.3	174.8	0	0	0	0	110.8	K502 E503 V504 K1063 R1072 V1074 V1087 D1089	K502-V506 WeakPolarHBondContact O-CG2 3.46Å; K502-V506 PolarHBondContact O-N 3.41Å; E503-V506 PolarHBondContact O-N 3.43Å; V504-V506 VanDerWaalsContact C-N 3.27Å; V504-V506 PolarHBondContact O-N 2.78Å; V506-K1063 HydrophobicContact CG2-CD 3.77Å; V506-R1072 HydrophobicContact CG2-CB 4.36Å; V506-V1074 HydrophobicContact CG2-CG2 3.46Å; V506-V1074 VanDerWaalsContact CG2-CG2 3.46Å; V506-V1087 HydrophobicContact CB-CB 4.3Å; V506-V1087 HydrophobicContact CB-CG1 3.78Å; V506-V1087 HydrophobicContact CG1-CB 4.32Å; V506-V1087 HydrophobicContact CG1-CG1 3.87Å; V506-V1087 HydrophobicContact CG2-CB 3.91Å; V506-V1087 HydrophobicContact CG2-CG1 3.92Å; V506-V1087 HydrophobicContact CG2-CG2 4.23Å; V506-D1089 HydrophobicContact CG1-CB 4.22Å
507	N	91.2	Very high	88.3	Confident	46 Å²	46	37 Å²	37	25%	0.246	21%	0.21	C	C	.	.	H	α-helix	trans	-101.6	5.5	-171.3	-66.3	-42.4	0	0	0	114.1	E503 I1088 K1090	E503-N507 PolarHBondContact O-N 3.27Å; E503-N507 PolarHBondContact OE1-ND2 3.43Å; N507-I1088 PolarHBondContact ND2-O 3.24Å; N507-I1088 PolarHBondContact OD1-O 3.25Å; N507-K1090 HydrophobicContact CB-CD 4.2Å; N507-K1090 PolarHBondContact OD1-N 3Å
508	G	89.2	Confident	88	Confident	24 Å²	24	41.3 Å²	41.3	25%	0.247	24%	0.238	C	C	.	.			trans	81	-172.5	173	0	0	0	0	0	115.4	V504 M510	V504-G508 WeakPolarHBondContact CA-O 3.43Å; V504-G508 VanDerWaalsContact O-CA 3.22Å; V504-G508 WeakPolarHBondContact O-CA 3.34Å; V504-G508 PolarHBondContact O-N 3.29Å; G508-M510 PolarHBondContact O-N 2.91Å
509	P	89.4	Confident	88	Confident	59 Å²	59	41.6 Å²	41.6	38%	0.383	24%	0.24	S	C	.	.			trans	-56.3	120.4	-177.7	-27.8	36.7	0	0	0	113.5	T511 L513 F1037 I1038	P509-T511 WeakPolarHBondContact CB-O 3.42Å; P509-T511 PolarHBondContact O-N 3.14Å; P509-L513 HydrophobicContact CB-CD1 4.25Å; P509-L513 HydrophobicContact CB-CD2 4.23Å; P509-L513 HydrophobicContact CB-CG 3.97Å; P509-L513 HydrophobicContact CG-CD1 3.76Å; P509-L513 HydrophobicContact CG-CG 4.02Å; P509-F1037 VanDerWaalsContact CB-O 3.24Å; P509-F1037 WeakPolarHBondContact CB-O 3.46Å; P509-F1037 WeakPolarHBondContact CG-O 3.45Å; P509-I1038 HydrophobicContact CG-CG2 4.33Å
510	M	87.2	Confident	87.9	Confident	60 Å²	60	46.1 Å²	46.1	30%	0.296	25%	0.253	S	S	.	.	S	Bend	trans	-70.2	-19.6	171.8	-67.7	-176.8	-172.3	0	0	113.3	F500 E503 V504 G508 F1021 Y1025	F500-M510 HydrophobicContact CD2-CE 3.86Å; F500-M510 HydrophobicContact CD2-SD 3.54Å; F500-M510 VanDerWaalsContact CD2-SD 3.54Å; F500-M510 HydrophobicContact CE2-CE 4.21Å; F500-M510 HydrophobicContact CE2-CG 4.33Å; F500-M510 HydrophobicContact CE2-SD 3.43Å; F500-M510 WeakPolarHBondContact CE2-SD 3.34Å; E503-M510 HydrophobicContact CB-CE 3.57Å; E503-M510 HydrophobicContact CG-CE 3.24Å; V504-M510 HydrophobicContact CG2-CE 4.11Å; V504-M510 HydrophobicContact CG2-CG 4.07Å; V504-M510 HydrophobicContact CG2-SD 4.43Å; G508-M510 PolarHBondContact O-N 2.91Å; M510-F1021 HydrophobicContact SD-CE2 3.64Å; M510-F1021 HydrophobicContact SD-CZ 3.82Å; M510-Y1025 HydrophobicContact CE-CD1 4.3Å; M510-Y1025 HydrophobicContact CE-CE1 3.62Å; M510-Y1025 HydrophobicContact CE-CE2 4.16Å; M510-Y1025 HydrophobicContact SD-CE1 4.49Å; M510-Y1025 HydrophobicContact SD-CE2 4.13Å
511	T	84.5	Confident	87.5	Confident	4 Å²	4	52 Å²	52	3%	0.025	28%	0.279	C	S	.	.	S	Bend	trans	-97.8	123.1	172.3	-52.9	0	0	0	0	108	P509 L513 F615 F845 F1036 F1037	P509-T511 WeakPolarHBondContact CB-O 3.42Å; P509-T511 PolarHBondContact O-N 3.14Å; T511-L513 PolarHBondContact O-N 3.24Å; T511-L513 VanDerWaalsContact O-N 3.11Å; T511-F615 HydrophobicContact CG2-CB 4.16Å; T511-F615 PolarHBondContact OG1-O 3.32Å; T511-F845 HydrophobicContact CG2-CZ 4.4Å; T511-F1036 WeakPolarHBondContact OG1-CE1 3.44Å; T511-F1037 HydrophobicContact CG2-CE1 4.27Å
512	P	81.7	Confident	87.1	Confident	86 Å²	86	56.5 Å²	56.5	56%	0.558	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-56.8	118.7	175.8	-26.1	35	0	0	0	111.1	F845	P512-F845 WeakPolarHBondContact O-CE1 3.32Å
513	L	84.7	Confident	86.9	Confident	62 Å²	62	61.7 Å²	61.7	33%	0.325	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-79.8	147.6	172.5	-55.3	-168.3	0	0	0	109.3	P509 T511 P844 F845 F1037 I1038	P509-L513 HydrophobicContact CB-CD1 4.25Å; P509-L513 HydrophobicContact CB-CD2 4.23Å; P509-L513 HydrophobicContact CB-CG 3.97Å; P509-L513 HydrophobicContact CG-CD1 3.76Å; P509-L513 HydrophobicContact CG-CG 4.02Å; T511-L513 PolarHBondContact O-N 3.24Å; T511-L513 VanDerWaalsContact O-N 3.11Å; L513-P844 HydrophobicContact CB-CB 4.08Å; L513-P844 HydrophobicContact CD1-CB 4.19Å; L513-P844 HydrophobicContact CD1-CG 4.3Å; L513-P844 HydrophobicContact CD2-CB 3.81Å; L513-P844 HydrophobicContact CD2-CG 4.29Å; L513-P844 HydrophobicContact CG-CB 4.23Å; L513-F845 HydrophobicContact CD2-CE1 4.32Å; L513-F845 HydrophobicContact CD2-CE2 4.41Å; L513-F845 HydrophobicContact CD2-CZ 3.71Å; L513-F1037 HydrophobicContact CD2-CD1 4.42Å; L513-I1038 HydrophobicContact CD1-CG2 4.28Å
514	V	76.6	Confident	86.9	Confident	64 Å²	64	60.6 Å²	60.6	39%	0.388	32%	0.323	S	S	.	.	S	Bend	trans	-105.4	-35.1	-174.7	-176.3	0	0	0	0	111.7	P844 F845 F873	V514-P844 WeakPolarHBondContact CA-O 3.25Å; V514-P844 WeakPolarHBondContact CB-O 3.38Å; V514-P844 PolarHBondContact N-O 2.91Å; V514-F845 HydrophobicContact CB-CD1 4.43Å; V514-F845 HydrophobicContact CG2-CD1 3.94Å; V514-F845 HydrophobicContact CG2-CE1 4.35Å; V514-F873 HydrophobicContact CG1-CB 4.39Å; V514-F873 HydrophobicContact CG1-CD1 3.53Å; V514-F873 HydrophobicContact CG1-CD2 3.88Å; V514-F873 HydrophobicContact CG1-CE1 3.6Å; V514-F873 HydrophobicContact CG1-CE2 3.92Å; V514-F873 HydrophobicContact CG1-CG 3.68Å; V514-F873 HydrophobicContact CG1-CZ 3.79Å
515	T	78.9	Confident	86.8	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.031	36%	0.358	C	S	.	.	S	Bend	trans	-113.4	160.9	175.6	85.4	0	0	0	0	111.2	I517 G843 P844 Q849	T515-I517 PolarHBondContact O-N 3.39Å; T515-I517 WeakPolarHBondContact OG1-CB 3.47Å; T515-I517 PolarHBondContact OG1-N 3.29Å; T515-I517 VanDerWaalsContact OG1-N 3.15Å; T515-G843 PolarHBondContact OG1-O 3.45Å; T515-P844 PolarHBondContact N-O 3.21Å; T515-P844 VanDerWaalsContact OG1-CA 3.25Å; T515-P844 WeakPolarHBondContact OG1-CA 2.87Å; T515-Q849 VanDerWaalsContact CB-OE1 3.22Å; T515-Q849 HydrophobicContact CG2-CB 4.37Å
516	N	81.7	Confident	86.9	Confident	161 Å²	161	68.4 Å²	68.4	86%	0.861	36%	0.362	S	S	*	.	S	Bend	trans	-83.4	11.3	173	-65	-7.4	0	0	0	113.1	P518	N516-P518 WeakPolarHBondContact O-CD 3.38Å
517	I	84.3	Confident	87	Confident	67 Å²	67	68.8 Å²	68.8	34%	0.344	36%	0.364	S	S	.	.			trans	-84.1	115.6	-179.5	-55.9	171.8	0	0	0	108.2	T515 G843 P844 Q849	T515-I517 PolarHBondContact O-N 3.39Å; T515-I517 WeakPolarHBondContact OG1-CB 3.47Å; T515-I517 PolarHBondContact OG1-N 3.29Å; T515-I517 VanDerWaalsContact OG1-N 3.15Å; I517-G843 CarbonylContact O-C 3.6Å; I517-P844 WeakPolarHBondContact O-CD 3.45Å; I517-P844 VanDerWaalsContact O-CG 3.25Å; I517-P844 WeakPolarHBondContact O-CG 3.47Å; I517-P844 VanDerWaalsContact O-N 3.13Å; I517-Q849 HydrophobicContact CD1-CB 4.22Å; I517-Q849 HydrophobicContact CD1-CG 4.26Å
518	P	86.2	Confident	87	Confident	91 Å²	91	71.4 Å²	71.4	59%	0.591	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-72.4	149.2	-177.9	30	-35.3	0	0	0	111.9	N516 R520	N516-P518 WeakPolarHBondContact O-CD 3.38Å; P518-R520 PolarHBondContact O-N 3.03Å
519	P	90.5	Very high	87.1	Confident	6 Å²	6	72.3 Å²	72.3	4%	0.039	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-55.7	128.7	167.3	-25.1	35.7	0	0	0	111.4	L841 P844 R1034 F1037 I1038	P519-L841 WeakPolarHBondContact CB-O 3.5Å; P519-P844 HydrophobicContact CG-CG 3.74Å; P519-R1034 HydrophobicContact CB-CB 4.3Å; P519-R1034 HydrophobicContact CB-CG 4.12Å; P519-F1037 HydrophobicContact CG-CB 4.26Å; P519-I1038 HydrophobicContact CG-CD1 4.35Å; P519-I1038 HydrophobicContact CG-CG1 4.31Å; P519-I1038 HydrophobicContact CG-CG2 4.27Å
520	R	89.4	Confident	86.9	Confident	129 Å²	129	75 Å²	75	49%	0.487	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-62.8	157.4	174.1	-80	-57.9	-169.3	107	-5.2	112.6	P518 E522 L840 L841 R1034	P518-R520 PolarHBondContact O-N 3.03Å; R520-E522 WeakPolarHBondContact CB-OE2 3.48Å; R520-E522 WeakPolarHBondContact CD-OE2 3.27Å; R520-E522 WeakPolarHBondContact CG-OE2 3.46Å; R520-E522 IonicContact CZ-OE2 3.49Å; R520-E522 IonicContact NH1-OE1 2.64Å; R520-E522 PolarHBondContact NH1-OE1 2.94Å; R520-E522 VanDerWaalsContact NH1-OE1 3.12Å; R520-E522 IonicContact NH1-OE2 3.99Å; R520-E522 PolarHBondContact NH1-OE2 3.42Å; R520-E522 VanDerWaalsContact NH1-OE2 3.1Å; R520-L840 HydrophobicContact CB-CB 3.94Å; R520-L840 HydrophobicContact CG-CB 3.78Å; R520-L840 HydrophobicContact CG-CD1 4.47Å; R520-L840 PolarHBondContact N-O 3.2Å; R520-L840 VanDerWaalsContact N-O 3.1Å; R520-L841 VanDerWaalsContact O-CD2 3.28Å; R520-L841 WeakPolarHBondContact O-CD2 3.47Å; R520-R1034 WeakPolarHBondContact O-CD 3.26Å
521	K	86.4	Confident	87.1	Confident	124 Å²	124	78.3 Å²	78.3	54%	0.539	40%	0.401	S	S	.	.	S	Bend	trans	-89.1	-16	176.7	-68.7	-164.7	175.9	-157.8	0	113.6	I523 D1041	K521-I523 PolarHBondContact O-N 3.11Å; K521-D1041 WeakPolarHBondContact CE-OD2 3.41Å; K521-D1041 IonicContact NZ-OD2 3.56Å; K521-D1041 PolarHBondContact NZ-OD2 3.38Å
522	E	85.5	Confident	87.3	Confident	95 Å²	95	79.1 Å²	79.1	44%	0.444	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-61.9	123	177.4	-69.9	110.1	173.5	0	0	110.4	R520 T837	R520-E522 WeakPolarHBondContact CB-OE2 3.48Å; R520-E522 WeakPolarHBondContact CD-OE2 3.27Å; R520-E522 WeakPolarHBondContact CG-OE2 3.46Å; R520-E522 IonicContact CZ-OE2 3.49Å; R520-E522 IonicContact NH1-OE1 2.64Å; R520-E522 PolarHBondContact NH1-OE1 2.94Å; R520-E522 VanDerWaalsContact NH1-OE1 3.12Å; R520-E522 IonicContact NH1-OE2 3.99Å; R520-E522 PolarHBondContact NH1-OE2 3.42Å; R520-E522 VanDerWaalsContact NH1-OE2 3.1Å; E522-T837 HydrophobicContact CB-CG2 4.24Å
523	I	87.1	Confident	87.8	Confident	136 Å²	136	78.9 Å²	78.9	70%	0.697	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-82.8	124.2	176.2	-61.2	174.8	0	0	0	107.9	K521 E525	K521-I523 PolarHBondContact O-N 3.11Å; I523-E525 PolarHBondContact O-N 2.97Å
524	P	92.3	Very high	88.2	Confident	2 Å²	2	80.2 Å²	80.2	1%	0.013	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-60.1	121.8	178.5	-25.1	34.4	0	0	0	111.7	R586 Y834 T837 M838 L841	P524-R586 VanDerWaalsContact O-CZ 3.32Å; P524-R586 PolarHBondContact O-NH1 3.05Å; P524-R586 PolarHBondContact O-NH2 2.93Å; P524-Y834 HydrophobicContact CB-CD2 3.88Å; P524-Y834 HydrophobicContact CB-CE2 3.49Å; P524-Y834 VanDerWaalsContact CB-CE2 3.49Å; P524-T837 HydrophobicContact CB-CG2 4.2Å; P524-T837 HydrophobicContact CG-CG2 4.15Å; P524-M838 HydrophobicContact CB-CB 4.44Å; P524-M838 HydrophobicContact CG-CB 4.09Å; P524-L841 HydrophobicContact CG-CD1 3.88Å; P524-L841 HydrophobicContact CG-CG 4.42Å
525	E	92.5	Very high	89	Confident	164 Å²	164	84.3 Å²	84.3	77%	0.766	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-80.4	121.9	179.6	-174.6	179.2	178.8	0	0	110.6	I523 P527 Y834	I523-E525 PolarHBondContact O-N 2.97Å; E525-P527 WeakPolarHBondContact O-CD 3.43Å; E525-Y834 WeakPolarHBondContact O-CD2 3.26Å
526	V	93.6	Very high	89.7	Confident	37 Å²	37	90.9 Å²	90.9	22%	0.224	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-77.8	122.9	177.5	-178.4	0	0	0	0	108.8	N528 F529 R586 I587 Y834	V526-N528 PolarHBondContact O-N 3.12Å; V526-F529 HydrophobicContact CG1-CD1 4.19Å; V526-F529 HydrophobicContact CG1-CE1 3.91Å; V526-R586 WeakPolarHBondContact CG1-O 3.24Å; V526-R586 HydrophobicContact CG2-CB 3.93Å; V526-R586 WeakPolarHBondContact CG2-O 3.36Å; V526-I587 HydrophobicContact CG1-CD1 4.37Å; V526-Y834 HydrophobicContact CG2-CD2 4.2Å; V526-Y834 HydrophobicContact CG2-CE2 3.76Å
527	P	93.6	Very high	90.3	Very high	22 Å²	22	83.8 Å²	83.8	14%	0.143	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-61.6	135.2	-179.9	-20.2	31.1	0	0	0	111.5	E525 F529 I587 F590 K830	E525-P527 WeakPolarHBondContact O-CD 3.43Å; P527-F529 WeakPolarHBondContact O-CD1 3.28Å; P527-F529 PolarHBondContact O-N 2.7Å; P527-I587 HydrophobicContact CG-CD1 4.47Å; P527-F590 HydrophobicContact CB-CD2 3.81Å; P527-F590 HydrophobicContact CB-CE2 3.79Å; P527-F590 HydrophobicContact CB-CZ 4.48Å; P527-F590 HydrophobicContact CG-CD2 4.35Å; P527-F590 HydrophobicContact CG-CE2 4.42Å; P527-K830 HydrophobicContact CB-CB 4.05Å; P527-K830 HydrophobicContact CB-CD 4.49Å; P527-K830 HydrophobicContact CG-CB 3.89Å
528	N	91.9	Very high	90.9	Very high	101 Å²	101	82 Å²	82	54%	0.54	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-55.2	123.8	-180	-178.7	-49.1	0	0	0	111.3	V526 D530 H531	V526-N528 PolarHBondContact O-N 3.12Å; N528-D530 PolarHBondContact OD1-N 3.33Å; N528-D530 VanDerWaalsContact OD1-N 3.15Å; N528-H531 PolarHBondContact O-CE1 2.62Å; N528-H531 PolarHBondContact OD1-ND1 3.48Å; N528-H531 VanDerWaalsContact OD1-ND1 3.1Å
529	F	90.2	Very high	91.4	Very high	43 Å²	43	79.2 Å²	79.2	19%	0.189	38%	0.379	C	S	.	.			trans	-121	2.1	-179.9	56.1	-103.1	0	0	0	113.8	V526 P527 H531 I532 P589 F590 R593	V526-F529 HydrophobicContact CG1-CD1 4.19Å; V526-F529 HydrophobicContact CG1-CE1 3.91Å; P527-F529 WeakPolarHBondContact O-CD1 3.28Å; P527-F529 PolarHBondContact O-N 2.7Å; F529-H531 VanDerWaalsContact C-N 3.25Å; F529-H531 PolarHBondContact O-N 2.9Å; F529-I532 HydrophobicContact CB-CD1 4.4Å; F529-I532 WeakPolarHBondContact O-CB 3.34Å; F529-I532 PolarHBondContact O-N 2.81Å; F529-P589 HydrophobicContact CD1-CB 4.36Å; F529-P589 HydrophobicContact CD2-CB 4.41Å; F529-P589 HydrophobicContact CE1-CB 3.88Å; F529-P589 HydrophobicContact CE2-CB 3.95Å; F529-P589 HydrophobicContact CZ-CB 3.66Å; F529-P589 HydrophobicContact CZ-CG 4.32Å; F529-F590 HydrophobicContact CB-CB 4.48Å; F529-F590 HydrophobicContact CB-CD2 4.11Å; F529-F590 HydrophobicContact CD1-CB 4.07Å; F529-R593 PolarHBondContact O-NH1 3.4Å
530	D	87.2	Confident	91.7	Very high	116 Å²	116	80.8 Å²	80.8	62%	0.62	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-37.1	-171.9	-68.1	-43	0	0	0	112.1	N528 I532	N528-D530 PolarHBondContact OD1-N 3.33Å; N528-D530 VanDerWaalsContact OD1-N 3.15Å; D530-I532 PolarHBondContact O-N 3.49Å
531	H	89.8	Confident	92	Very high	130 Å²	130	76.3 Å²	76.3	60%	0.602	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.9	175.8	67.8	-83.1	0	0	0	114.2	N528 F529	N528-H531 PolarHBondContact O-CE1 2.62Å; N528-H531 PolarHBondContact OD1-ND1 3.48Å; N528-H531 VanDerWaalsContact OD1-ND1 3.1Å; F529-H531 VanDerWaalsContact C-N 3.25Å; F529-H531 PolarHBondContact O-N 2.9Å
532	I	89	Confident	92.5	Very high	20 Å²	20	71 Å²	71	10%	0.103	35%	0.35	C	S	.	.	S	Bend	trans	-102	109.3	-178.7	-46.4	179.1	0	0	0	108.7	F529 D530 F590 R593 A594	F529-I532 HydrophobicContact CB-CD1 4.4Å; F529-I532 WeakPolarHBondContact O-CB 3.34Å; F529-I532 PolarHBondContact O-N 2.81Å; D530-I532 PolarHBondContact O-N 3.49Å; I532-F590 HydrophobicContact CD1-CE2 4.36Å; I532-R593 HydrophobicContact CB-CB 4.07Å; I532-R593 HydrophobicContact CG2-CB 3.84Å; I532-R593 WeakPolarHBondContact CG2-O 3.33Å; I532-R593 VanDerWaalsContact O-CD 3.31Å; I532-R593 WeakPolarHBondContact O-CD 3.35Å; I532-R593 PolarHBondContact O-NH1 3.3Å; I532-A594 HydrophobicContact CD1-CB 4.24Å
533	P	92.1	Very high	93	Very high	82 Å²	82	71.6 Å²	71.6	53%	0.532	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-70.2	141.9	179	28.9	-34.6	0	0	0	111.1	R535	P533-R535 WeakPolarHBondContact O-CG 3.39Å; P533-R535 PolarHBondContact O-N 2.9Å
534	L	93.2	Very high	93.4	Very high	90 Å²	90	70.6 Å²	70.6	47%	0.471	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.2	120.1	172.8	-178.7	68.8	0	0	0	109.9	A592 R593 P632	L534-A592 HydrophobicContact CD1-CB 4.12Å; L534-R593 HydrophobicContact CB-CG 4.39Å; L534-R593 HydrophobicContact CD1-CG 4.34Å; L534-P632 HydrophobicContact CD1-CG 4.37Å; L534-P632 HydrophobicContact CD2-CG 3.75Å
535	R	92.9	Very high	93.5	Very high	150 Å²	150	76.6 Å²	76.6	57%	0.566	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-100.6	157.4	-178.5	-55.6	-177	-177.9	-174.7	-3.4	111	P533 P596 N633	P533-R535 WeakPolarHBondContact O-CG 3.39Å; P533-R535 PolarHBondContact O-N 2.9Å; R535-P596 HydrophobicContact CB-CB 4.34Å; R535-P596 HydrophobicContact CB-CG 4.15Å; R535-N633 WeakPolarHBondContact O-CB 3.27Å; R535-N633 PolarHBondContact O-ND2 2.93Å
536	K	94.1	Very high	93.6	Very high	143 Å²	143	70.4 Å²	70.4	62%	0.622	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-58.2	140.6	162.1	-76	-163.4	176.3	-166.5	0	109.3	N540 E544	K536-N540 VanDerWaalsContact CA-OD1 3.26Å; K536-N540 WeakPolarHBondContact CA-OD1 3.22Å; K536-N540 HydrophobicContact CB-CB 4.22Å; K536-N540 HydrophobicContact CD-CB 4.05Å; K536-N540 HydrophobicContact CG-CB 4.19Å; K536-E544 IonicContact NZ-OE1 2.77Å; K536-E544 PolarHBondContact NZ-OE1 2.89Å; K536-E544 IonicContact NZ-OE2 2.72Å; K536-E544 PolarHBondContact NZ-OE2 3.41Å
537	G	94.9	Very high	93.7	Very high	11 Å²	11	69.4 Å²	69.4	11%	0.113	35%	0.35	C	S	.	.			trans	-131.9	-171.1	176.4	0	0	0	0	0	111.2	R539 N540 N633	G537-R539 PolarHBondContact O-N 2.82Å; G537-R539 VanDerWaalsContact O-N 3.12Å; G537-N540 PolarHBondContact N-OD1 3.42Å; G537-N540 WeakPolarHBondContact O-CB 3.13Å; G537-N540 PolarHBondContact O-N 3.31Å; G537-N540 PolarHBondContact O-OD1 2.99Å; G537-N633 CarbonylContact C-O 3.27Å; G537-N633 VanDerWaalsContact C-O 3.25Å; G537-N633 WeakPolarHBondContact CA-O 3.28Å
538	W	96.6	Very high	93.7	Very high	31 Å²	31	73 Å²	73	12%	0.117	37%	0.368	C	S	.	.	H	α-helix	trans	-58.6	-26.5	-174.2	-79.7	105.9	0	0	0	114.8	N540 V541 F542 F550 A553 V554 H557 L561 Q597 N633 P635	W538-N540 VanDerWaalsContact C-N 3.31Å; W538-N540 PolarHBondContact O-N 3.28Å; W538-V541 HydrophobicContact CE3-CB 4.43Å; W538-V541 HydrophobicContact CE3-CG2 4.24Å; W538-V541 WeakPolarHBondContact O-CB 3.42Å; W538-V541 PolarHBondContact O-N 3.46Å; W538-F542 PolarHBondContact O-N 3.08Å; W538-F550 HydrophobicContact CB-CE2 4.08Å; W538-F550 HydrophobicContact CE3-CD2 4.39Å; W538-F550 AromaticContact CE3-CE2 3.89Å; W538-F550 HydrophobicContact CE3-CE2 3.89Å; W538-F550 WeakPolarHBondContact O-CE2 3.19Å; W538-A553 HydrophobicContact CZ3-CB 4.13Å; W538-V554 HydrophobicContact CE3-CG2 4.32Å; W538-V554 HydrophobicContact CZ3-CG2 4Å; W538-H557 HydrophobicContact CH2-CB 4.27Å; W538-H557 HydrophobicContact CZ2-CB 4.48Å; W538-H557 AromaticContact CZ2-ND1 3.79Å; W538-L561 HydrophobicContact CH2-CD1 4.15Å; W538-L561 HydrophobicContact CZ2-CD1 3.67Å; W538-L561 HydrophobicContact CZ2-CD2 3.76Å; W538-L561 HydrophobicContact CZ2-CG 4.34Å; W538-Q597 VanDerWaalsContact CD1-O 3.25Å; W538-Q597 PolarHBondContact NE1-O 2.63Å; W538-Q597 VanDerWaalsContact NE1-O 3.16Å; W538-N633 PolarHBondContact N-O 3.15Å; W538-P635 HydrophobicContact CB-CG 3.69Å
539	R	96.8	Very high	93.9	Very high	32 Å²	32	69 Å²	69	12%	0.121	35%	0.351	C	S	.	.	H	α-helix	trans	-69.2	-29.7	175.7	-174.7	174.6	170.9	132.9	-6.1	112.3	G537 V541 F542 L543 R628 N633 P635 G667 D669	G537-R539 PolarHBondContact O-N 2.82Å; G537-R539 VanDerWaalsContact O-N 3.12Å; R539-V541 VanDerWaalsContact C-N 3.28Å; R539-V541 PolarHBondContact O-N 3.12Å; R539-F542 PolarHBondContact O-N 2.96Å; R539-L543 HydrophobicContact CG-CD1 3.9Å; R539-L543 HydrophobicContact CG-CG 4.01Å; R539-L543 WeakPolarHBondContact O-CB 3.21Å; R539-L543 WeakPolarHBondContact O-CG 3.27Å; R539-L543 PolarHBondContact O-N 3.29Å; R539-R628 VanDerWaalsContact NH1-NH1 3.19Å; R539-N633 VanDerWaalsContact CB-O 3.27Å; R539-N633 WeakPolarHBondContact CB-O 3.45Å; R539-N633 PolarHBondContact N-O 3.4Å; R539-P635 HydrophobicContact CB-CG 4.04Å; R539-G667 PolarHBondContact NH1-O 3.41Å; R539-D669 VanDerWaalsContact CD-OD2 3.26Å; R539-D669 WeakPolarHBondContact CD-OD2 3.37Å; R539-D669 IonicContact CZ-OD1 3.15Å; R539-D669 VanDerWaalsContact CZ-OD1 3.28Å; R539-D669 IonicContact CZ-OD2 3.79Å; R539-D669 IonicContact NE-OD1 2.69Å; R539-D669 IonicContact NE-OD2 2.97Å; R539-D669 IonicContact NH1-OD1 2.72Å; R539-D669 PolarHBondContact NH1-OD1 2.88Å; R539-D669 IonicContact NH1-OD2 3.75Å; R539-D669 PolarHBondContact NH1-OD2 3.25Å; R539-D669 IonicContact NH2-OD1 3.97Å
540	N	97	Very high	94.2	Very high	39 Å²	39	67 Å²	67	21%	0.209	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-39.6	174.2	-63.4	102	0	0	0	110.6	K536 G537 W538 F542 L543 E544	K536-N540 VanDerWaalsContact CA-OD1 3.26Å; K536-N540 WeakPolarHBondContact CA-OD1 3.22Å; K536-N540 HydrophobicContact CB-CB 4.22Å; K536-N540 HydrophobicContact CD-CB 4.05Å; K536-N540 HydrophobicContact CG-CB 4.19Å; G537-N540 PolarHBondContact N-OD1 3.42Å; G537-N540 WeakPolarHBondContact O-CB 3.13Å; G537-N540 PolarHBondContact O-N 3.31Å; G537-N540 PolarHBondContact O-OD1 2.99Å; W538-N540 VanDerWaalsContact C-N 3.31Å; W538-N540 PolarHBondContact O-N 3.28Å; N540-F542 PolarHBondContact O-N 3.36Å; N540-L543 PolarHBondContact O-N 3.07Å; N540-E544 WeakPolarHBondContact O-CB 3.36Å; N540-E544 WeakPolarHBondContact O-CG 3.32Å; N540-E544 PolarHBondContact O-N 3.24Å
541	V	96.4	Very high	94.7	Very high	35 Å²	35	62 Å²	62	21%	0.212	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-42.6	175.9	-172.3	0	0	0	0	111.3	W538 R539 E544 K545 F550 A553	W538-V541 HydrophobicContact CE3-CB 4.43Å; W538-V541 HydrophobicContact CE3-CG2 4.24Å; W538-V541 WeakPolarHBondContact O-CB 3.42Å; W538-V541 PolarHBondContact O-N 3.46Å; R539-V541 VanDerWaalsContact C-N 3.28Å; R539-V541 PolarHBondContact O-N 3.12Å; V541-E544 PolarHBondContact O-N 3.35Å; V541-K545 HydrophobicContact CG1-CD 4.08Å; V541-K545 WeakPolarHBondContact O-CB 3.48Å; V541-K545 PolarHBondContact O-N 2.62Å; V541-F550 HydrophobicContact CB-CD2 4.38Å; V541-A553 HydrophobicContact CG1-CB 3.62Å
542	F	96.2	Very high	95	Very high	11 Å²	11	61.9 Å²	61.9	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-47.1	176.1	173.9	-138.3	0	0	0	112.9	W538 R539 N540 E544 K545 G546 A547 F550 K664 D669 V696	W538-F542 PolarHBondContact O-N 3.08Å; R539-F542 PolarHBondContact O-N 2.96Å; N540-F542 PolarHBondContact O-N 3.36Å; F542-E544 VanDerWaalsContact C-N 3.3Å; F542-E544 PolarHBondContact O-N 2.64Å; F542-K545 PolarHBondContact O-N 2.75Å; F542-G546 WeakPolarHBondContact O-CA 3.29Å; F542-G546 PolarHBondContact O-N 2.84Å; F542-A547 HydrophobicContact CE2-CB 4.08Å; F542-F550 HydrophobicContact CB-CB 4.19Å; F542-F550 HydrophobicContact CB-CD2 3.7Å; F542-F550 HydrophobicContact CB-CE2 4.24Å; F542-F550 HydrophobicContact CB-CG 4Å; F542-F550 HydrophobicContact CD2-CB 4.2Å; F542-K664 VanDerWaalsContact CE1-NZ 3.35Å; F542-D669 HydrophobicContact CD1-CB 3.76Å; F542-D669 HydrophobicContact CE1-CB 3.59Å; F542-D669 WeakPolarHBondContact CE1-OD1 3.46Å; F542-V696 HydrophobicContact CD1-CG2 4.37Å; F542-V696 HydrophobicContact CD2-CG2 3.65Å; F542-V696 HydrophobicContact CE1-CG2 4.19Å; F542-V696 HydrophobicContact CE2-CG2 3.49Å; F542-V696 VanDerWaalsContact CE2-CG2 3.49Å; F542-V696 HydrophobicContact CG-CG2 4.12Å; F542-V696 HydrophobicContact CZ-CG2 3.78Å
543	L	95.1	Very high	95.4	Very high	109 Å²	109	61.9 Å²	61.9	57%	0.571	32%	0.317	S	S	*	.	H	α-helix	trans	-67	-29.9	178.1	-66.5	174.7	0	0	0	112.9	R539 N540	R539-L543 HydrophobicContact CG-CD1 3.9Å; R539-L543 HydrophobicContact CG-CG 4.01Å; R539-L543 WeakPolarHBondContact O-CB 3.21Å; R539-L543 WeakPolarHBondContact O-CG 3.27Å; R539-L543 PolarHBondContact O-N 3.29Å; N540-L543 PolarHBondContact O-N 3.07Å
544	E	95.8	Very high	95.7	Very high	115 Å²	115	58 Å²	58	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-84.9	-20.7	179.4	-71.8	165	-151.5	0	0	113.6	K536 N540 V541 F542	K536-E544 IonicContact NZ-OE1 2.77Å; K536-E544 PolarHBondContact NZ-OE1 2.89Å; K536-E544 IonicContact NZ-OE2 2.72Å; K536-E544 PolarHBondContact NZ-OE2 3.41Å; N540-E544 WeakPolarHBondContact O-CB 3.36Å; N540-E544 WeakPolarHBondContact O-CG 3.32Å; N540-E544 PolarHBondContact O-N 3.24Å; V541-E544 PolarHBondContact O-N 3.35Å; F542-E544 VanDerWaalsContact C-N 3.3Å; F542-E544 PolarHBondContact O-N 2.64Å
545	K	94.8	Very high	95.8	Very high	128 Å²	128	57 Å²	57	56%	0.557	28%	0.282	S	S	*	.	H	α-helix	trans	-133.1	-1.3	-171.4	-52.8	-173.3	179.3	-179.3	0	116.5	V541 F542 G549	V541-K545 HydrophobicContact CG1-CD 4.08Å; V541-K545 WeakPolarHBondContact O-CB 3.48Å; V541-K545 PolarHBondContact O-N 2.62Å; F542-K545 PolarHBondContact O-N 2.75Å; K545-G549 PolarHBondContact O-N 3.46Å
546	G	95.1	Very high	96	Very high	34 Å²	34	55.9 Å²	55.9	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	68.5	-178	-174.2	0	0	0	0	0	113.6	F542 G549 F550	F542-G546 WeakPolarHBondContact O-CA 3.29Å; F542-G546 PolarHBondContact O-N 2.84Å; G546-G549 PolarHBondContact O-N 3.2Å; G546-F550 VanDerWaalsContact O-CB 3.3Å; G546-F550 WeakPolarHBondContact O-CB 3.4Å; G546-F550 PolarHBondContact O-N 2.93Å
547	A	95.2	Very high	96	Very high	15 Å²	15	52.4 Å²	52.4	12%	0.124	27%	0.273	C	S	.	.	H	α-helix	trans	-68.1	-43.3	-172.6	0	0	0	0	0	113.2	F542 G549 F550 A551 V696 H733	F542-A547 HydrophobicContact CE2-CB 4.08Å; A547-G549 PolarHBondContact O-N 3.33Å; A547-F550 WeakPolarHBondContact O-CB 3.23Å; A547-F550 PolarHBondContact O-N 3.36Å; A547-A551 PolarHBondContact O-N 3.38Å; A547-V696 HydrophobicContact CB-CG2 4.11Å; A547-H733 VanDerWaalsContact CB-CD2 3.4Å; A547-H733 WeakPolarHBondContact CB-CD2 3.34Å; A547-H733 VanDerWaalsContact CB-NE2 3.29Å; A547-H733 WeakPolarHBondContact CB-NE2 3.35Å
548	D	94.5	Very high	95.9	Very high	99 Å²	99	61.2 Å²	61.2	53%	0.529	31%	0.308	S	S	.	.	H	α-helix	trans	-57.7	-46.7	172	-77.6	-72.6	0	0	0	112.9	F550 A551 K552	D548-F550 VanDerWaalsContact C-N 3.28Å; D548-F550 PolarHBondContact O-N 2.99Å; D548-A551 PolarHBondContact O-N 2.69Å; D548-K552 WeakPolarHBondContact O-CB 3.26Å; D548-K552 WeakPolarHBondContact O-CD 3.19Å; D548-K552 VanDerWaalsContact O-CG 3.3Å; D548-K552 WeakPolarHBondContact O-CG 3.49Å; D548-K552 PolarHBondContact O-N 3.08Å
549	G	95.5	Very high	95.8	Very high	17 Å²	17	60.4 Å²	60.4	18%	0.175	31%	0.31	C	S	.	.	H	α-helix	trans	-71	-26.1	-178.6	0	0	0	0	0	112.8	K545 G546 A547 A553	K545-G549 PolarHBondContact O-N 3.46Å; G546-G549 PolarHBondContact O-N 3.2Å; A547-G549 PolarHBondContact O-N 3.33Å; G549-A553 VanDerWaalsContact O-CB 3.28Å; G549-A553 WeakPolarHBondContact O-CB 3.15Å; G549-A553 PolarHBondContact O-N 3.04Å; G549-A553 VanDerWaalsContact O-N 3.15Å
550	F	96.9	Very high	95.8	Very high	1 Å²	1	59 Å²	59	0%	0.004	30%	0.304	C	S	.	.	H	α-helix	trans	-70.8	-52.5	169.5	-179.8	-108.1	0	0	0	111.7	W538 V541 F542 G546 A547 D548 K552 A553 V554 F599 P635 V696 I734	W538-F550 HydrophobicContact CB-CE2 4.08Å; W538-F550 HydrophobicContact CE3-CD2 4.39Å; W538-F550 AromaticContact CE3-CE2 3.89Å; W538-F550 HydrophobicContact CE3-CE2 3.89Å; W538-F550 WeakPolarHBondContact O-CE2 3.19Å; V541-F550 HydrophobicContact CB-CD2 4.38Å; F542-F550 HydrophobicContact CB-CB 4.19Å; F542-F550 HydrophobicContact CB-CD2 3.7Å; F542-F550 HydrophobicContact CB-CE2 4.24Å; F542-F550 HydrophobicContact CB-CG 4Å; F542-F550 HydrophobicContact CD2-CB 4.2Å; G546-F550 VanDerWaalsContact O-CB 3.3Å; G546-F550 WeakPolarHBondContact O-CB 3.4Å; G546-F550 PolarHBondContact O-N 2.93Å; A547-F550 WeakPolarHBondContact O-CB 3.23Å; A547-F550 PolarHBondContact O-N 3.36Å; D548-F550 VanDerWaalsContact C-N 3.28Å; D548-F550 PolarHBondContact O-N 2.99Å; F550-K552 VanDerWaalsContact C-N 3.32Å; F550-K552 PolarHBondContact O-N 3.14Å; F550-A553 CarbonylContact O-C 3.57Å; F550-A553 WeakPolarHBondContact O-CA 3.5Å; F550-A553 WeakPolarHBondContact O-CB 3.42Å; F550-A553 PolarHBondContact O-N 3.04Å; F550-V554 HydrophobicContact CD1-CG2 4.5Å; F550-V554 HydrophobicContact CE1-CG2 4.24Å; F550-V554 HydrophobicContact CE2-CG2 4.45Å; F550-V554 HydrophobicContact CZ-CG2 4.21Å; F550-V554 WeakPolarHBondContact O-CG2 3.48Å; F550-V554 PolarHBondContact O-N 2.88Å; F550-F599 HydrophobicContact CE1-CD2 4.35Å; F550-F599 AromaticContact CE1-CE2 3.48Å; F550-F599 HydrophobicContact CE1-CE2 3.48Å; F550-F599 VanDerWaalsContact CE1-CE2 3.48Å; F550-F599 HydrophobicContact CE1-CZ 4.06Å; F550-F599 AromaticContact CZ-CD2 3.91Å; F550-F599 HydrophobicContact CZ-CD2 3.91Å; F550-F599 AromaticContact CZ-CE2 3.48Å; F550-F599 HydrophobicContact CZ-CE2 3.48Å; F550-F599 VanDerWaalsContact CZ-CE2 3.48Å; F550-F599 HydrophobicContact CZ-CZ 4.28Å; F550-P635 HydrophobicContact CE2-CG 4.29Å; F550-P635 HydrophobicContact CZ-CG 4.18Å; F550-V696 HydrophobicContact CD1-CB 4.44Å; F550-V696 HydrophobicContact CD1-CG1 3.96Å; F550-V696 HydrophobicContact CD1-CG2 3.66Å; F550-V696 HydrophobicContact CE1-CG1 4.22Å; F550-V696 HydrophobicContact CE1-CG2 4.1Å; F550-V696 HydrophobicContact CG-CG2 4.37Å; F550-I734 HydrophobicContact CE1-CD1 4.39Å
551	A	96.9	Very high	95.9	Very high	9 Å²	9	57.3 Å²	57.3	7%	0.074	30%	0.296	C	S	.	.	H	α-helix	trans	-57.1	-44.3	177.5	0	0	0	0	0	112	A547 D548 A553 V554 R555 H733 P764	A547-A551 PolarHBondContact O-N 3.38Å; D548-A551 PolarHBondContact O-N 2.69Å; A551-A553 VanDerWaalsContact C-N 3.32Å; A551-A553 PolarHBondContact O-N 3.19Å; A551-V554 WeakPolarHBondContact O-CB 3.38Å; A551-V554 PolarHBondContact O-N 3.07Å; A551-R555 PolarHBondContact O-N 3.01Å; A551-H733 HydrophobicContact CB-CB 4.22Å; A551-H733 WeakPolarHBondContact CB-O 2.96Å; A551-P764 HydrophobicContact CB-CG 4.04Å; A551-P764 VanDerWaalsContact O-CG 3.26Å; A551-P764 WeakPolarHBondContact O-CG 3.25Å
552	K	96.8	Very high	96	Very high	128 Å²	128	55.6 Å²	55.6	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-63.3	-35.4	174.1	-71.6	163.7	-174.3	160.2	0	112.5	D548 F550 N556	D548-K552 WeakPolarHBondContact O-CB 3.26Å; D548-K552 WeakPolarHBondContact O-CD 3.19Å; D548-K552 VanDerWaalsContact O-CG 3.3Å; D548-K552 WeakPolarHBondContact O-CG 3.49Å; D548-K552 PolarHBondContact O-N 3.08Å; F550-K552 VanDerWaalsContact C-N 3.32Å; F550-K552 PolarHBondContact O-N 3.14Å; K552-N556 WeakPolarHBondContact O-CB 3.03Å; K552-N556 PolarHBondContact O-N 2.66Å; K552-N556 VanDerWaalsContact O-N 3.16Å; K552-N556 PolarHBondContact O-ND2 3.18Å
553	A	97	Very high	96.1	Very high	21 Å²	21	55.1 Å²	55.1	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-71.7	-33.7	175.6	0	0	0	0	0	113	W538 V541 G549 F550 A551 H557	W538-A553 HydrophobicContact CZ3-CB 4.13Å; V541-A553 HydrophobicContact CG1-CB 3.62Å; G549-A553 VanDerWaalsContact O-CB 3.28Å; G549-A553 WeakPolarHBondContact O-CB 3.15Å; G549-A553 PolarHBondContact O-N 3.04Å; G549-A553 VanDerWaalsContact O-N 3.15Å; F550-A553 CarbonylContact O-C 3.57Å; F550-A553 WeakPolarHBondContact O-CA 3.5Å; F550-A553 WeakPolarHBondContact O-CB 3.42Å; F550-A553 PolarHBondContact O-N 3.04Å; A551-A553 VanDerWaalsContact C-N 3.32Å; A551-A553 PolarHBondContact O-N 3.19Å; A553-H557 PolarHBondContact O-N 2.76Å
554	V	97.2	Very high	96.3	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-51.3	171.7	168.8	0	0	0	0	110.3	W538 F550 A551 N556 H557 L561 F599 P764 D789 I790	W538-V554 HydrophobicContact CE3-CG2 4.32Å; W538-V554 HydrophobicContact CZ3-CG2 4Å; F550-V554 HydrophobicContact CD1-CG2 4.5Å; F550-V554 HydrophobicContact CE1-CG2 4.24Å; F550-V554 HydrophobicContact CE2-CG2 4.45Å; F550-V554 HydrophobicContact CZ-CG2 4.21Å; F550-V554 WeakPolarHBondContact O-CG2 3.48Å; F550-V554 PolarHBondContact O-N 2.88Å; A551-V554 WeakPolarHBondContact O-CB 3.38Å; A551-V554 PolarHBondContact O-N 3.07Å; V554-N556 VanDerWaalsContact C-N 3.25Å; V554-N556 PolarHBondContact O-N 3.4Å; V554-H557 WeakPolarHBondContact O-CB 3.42Å; V554-H557 PolarHBondContact O-N 3.32Å; V554-L561 HydrophobicContact CG1-CD1 4.17Å; V554-L561 HydrophobicContact CG2-CD1 4.39Å; V554-F599 HydrophobicContact CG2-CD2 4Å; V554-F599 HydrophobicContact CG2-CE2 3.92Å; V554-P764 HydrophobicContact CB-CG 4.3Å; V554-P764 HydrophobicContact CG1-CB 3.88Å; V554-P764 HydrophobicContact CG1-CG 4.15Å; V554-D789 HydrophobicContact CG1-CB 4.1Å; V554-I790 HydrophobicContact CG1-CD1 3.98Å; V554-I790 HydrophobicContact CG1-CG1 4.09Å
555	R	96.7	Very high	96.4	Very high	69 Å²	69	44.4 Å²	44.4	26%	0.26	23%	0.23	S	C	.	.	H	α-helix	trans	-61.9	-31.4	-179.3	-172.3	68.7	-161.4	98.2	16.1	113.7	A551 H557 P761 E762 P764 D789	A551-R555 PolarHBondContact O-N 3.01Å; R555-H557 VanDerWaalsContact C-N 3.29Å; R555-P761 PolarHBondContact NE-O 3.07Å; R555-P761 PolarHBondContact NH2-O 2.85Å; R555-E762 WeakPolarHBondContact CG-O 3.47Å; R555-P764 HydrophobicContact CB-CG 4.22Å; R555-D789 WeakPolarHBondContact CD-OD1 3.41Å; R555-D789 IonicContact CZ-OD1 2.67Å; R555-D789 IonicContact NE-OD1 2.7Å; R555-D789 IonicContact NH1-OD1 2.64Å; R555-D789 PolarHBondContact NH1-OD1 2.84Å
556	N	96.2	Very high	96.5	Very high	127 Å²	127	38.5 Å²	38.5	68%	0.679	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	4.5	176.3	-78.1	-87.6	0	0	0	113.7	K552 V554	K552-N556 WeakPolarHBondContact O-CB 3.03Å; K552-N556 PolarHBondContact O-N 2.66Å; K552-N556 VanDerWaalsContact O-N 3.16Å; K552-N556 PolarHBondContact O-ND2 3.18Å; V554-N556 VanDerWaalsContact C-N 3.25Å; V554-N556 PolarHBondContact O-N 3.4Å
557	H	95.6	Very high	96.6	Very high	69 Å²	69	36.9 Å²	36.9	32%	0.319	19%	0.188	S	C	.	.			trans	-70	150.8	174	-169.4	61.3	0	0	0	111.3	W538 A553 V554 R555 G559 L561	W538-H557 HydrophobicContact CH2-CB 4.27Å; W538-H557 HydrophobicContact CZ2-CB 4.48Å; W538-H557 AromaticContact CZ2-ND1 3.79Å; A553-H557 PolarHBondContact O-N 2.76Å; V554-H557 WeakPolarHBondContact O-CB 3.42Å; V554-H557 PolarHBondContact O-N 3.32Å; R555-H557 VanDerWaalsContact C-N 3.29Å; H557-G559 PolarHBondContact CD2-O 2.87Å; H557-L561 WeakPolarHBondContact NE2-CD2 3.43Å
558	K	92.2	Very high	96.7	Very high	196 Å²	196	36.2 Å²	36.2	85%	0.852	18%	0.182	S	C	*	.	S	Bend	trans	-115.5	122.6	169.4	-68.3	-169.3	175.5	-166.6	0	107.8
559	G	94.9	Very high	96.8	Very high	15 Å²	15	31.7 Å²	31.7	16%	0.155	16%	0.158	C	C	.	.	S	Bend	trans	113.9	162.8	-164.5	0	0	0	0	0	111.5	H557 E820	H557-G559 PolarHBondContact CD2-O 2.87Å; G559-E820 WeakPolarHBondContact CA-O 3.39Å
560	T	97	Very high	96.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.15	C	C	.	.			trans	-92.8	129.2	171.2	-49.8	0	0	0	0	109.3	A784 V791 L814 L819 T821	T560-A784 HydrophobicContact CG2-CB 3.97Å; T560-V791 HydrophobicContact CG2-CG2 4.21Å; T560-L814 HydrophobicContact CG2-CD1 4.41Å; T560-L819 PolarHBondContact N-O 3.08Å; T560-L819 PolarHBondContact OG1-O 3.14Å; T560-T821 WeakPolarHBondContact O-CG2 3.48Å
561	L	98.1	Very high	96.6	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	145	173.7	-65.7	176.1	0	0	0	111.3	W538 V554 H557 F599 D789 I790 V791	W538-L561 HydrophobicContact CH2-CD1 4.15Å; W538-L561 HydrophobicContact CZ2-CD1 3.67Å; W538-L561 HydrophobicContact CZ2-CD2 3.76Å; W538-L561 HydrophobicContact CZ2-CG 4.34Å; V554-L561 HydrophobicContact CG1-CD1 4.17Å; V554-L561 HydrophobicContact CG2-CD1 4.39Å; H557-L561 WeakPolarHBondContact NE2-CD2 3.43Å; L561-F599 HydrophobicContact CB-CB 3.9Å; L561-F599 HydrophobicContact CD1-CB 4.17Å; L561-F599 HydrophobicContact CD1-CD2 4.29Å; L561-D789 WeakPolarHBondContact CB-O 3.49Å; L561-D789 PolarHBondContact N-O 3.23Å; L561-I790 HydrophobicContact CB-CB 4.42Å; L561-I790 HydrophobicContact CB-CG1 4.12Å; L561-I790 HydrophobicContact CB-CG2 4.22Å; L561-I790 HydrophobicContact CD1-CG1 4.41Å; L561-I790 CarbonylContact O-C 3.59Å; L561-I790 VanDerWaalsContact O-CA 3.3Å; L561-I790 WeakPolarHBondContact O-CA 3.28Å; L561-V791 PolarHBondContact O-N 3.03Å
562	L	98.3	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.2	172.7	-50.3	-174.3	0	0	0	110.8	L598 F599 V791 V793 M807 M810 V811 T821 M823	L562-L598 HydrophobicContact CB-CD2 4.23Å; L562-F599 PolarHBondContact O-N 3.4Å; L562-V791 WeakPolarHBondContact CA-O 3.33Å; L562-V791 HydrophobicContact CD2-CG2 3.54Å; L562-V793 HydrophobicContact CB-CG2 3.92Å; L562-V793 HydrophobicContact CD1-CG1 4.47Å; L562-V793 HydrophobicContact CD1-CG2 4.11Å; L562-V793 HydrophobicContact CD2-CG1 4.22Å; L562-V793 HydrophobicContact CG-CG2 4.49Å; L562-M807 HydrophobicContact CD1-CG 4.12Å; L562-M810 HydrophobicContact CD1-CB 4.37Å; L562-M810 HydrophobicContact CD2-CB 4.36Å; L562-V811 HydrophobicContact CD1-CG2 3.69Å; L562-T821 HydrophobicContact CD1-CG2 4.1Å; L562-T821 HydrophobicContact CD2-CG2 4.17Å; L562-T821 HydrophobicContact CG-CG2 3.99Å; L562-M823 HydrophobicContact CB-CE 3.94Å; L562-M823 HydrophobicContact CD1-CE 3.67Å; L562-M823 HydrophobicContact CG-CE 3.74Å
563	S	98.4	Very high	96	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	171.8	168.9	0	0	0	0	108.3	S600 H766 V791 D792 V793	S563-S600 PolarHBondContact OG-OG 2.83Å; S563-H766 WeakPolarHBondContact CB-NE2 3.44Å; S563-V791 PolarHBondContact N-O 2.86Å; S563-D792 WeakPolarHBondContact CB-OD1 3.48Å; S563-D792 WeakPolarHBondContact O-CA 3.43Å; S563-D792 PolarHBondContact OG-OD1 3.41Å; S563-V793 PolarHBondContact O-N 3.25Å
564	D	98.5	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.6	-176.1	178.2	25.6	0	0	0	111.7	T566 L598 S600 L601 E602 M807 Y831	D564-T566 WeakPolarHBondContact OD1-CB 3.2Å; D564-T566 PolarHBondContact OD1-N 2.69Å; D564-T566 PolarHBondContact OD1-OG1 3.34Å; D564-L598 HydrophobicContact CB-CD1 4.06Å; D564-L598 HydrophobicContact CB-CD2 4.14Å; D564-S600 PolarHBondContact N-O 3.36Å; D564-L601 HydrophobicContact CB-CD2 3.78Å; D564-L601 VanDerWaalsContact OD2-CD2 3.3Å; D564-L601 WeakPolarHBondContact OD2-CD2 3.25Å; D564-E602 PolarHBondContact O-N 3.16Å; D564-M807 HydrophobicContact CB-CE 3.66Å; D564-Y831 VanDerWaalsContact OD2-CE1 3.3Å; D564-Y831 WeakPolarHBondContact OD2-CE1 3.41Å; D564-Y831 PolarHBondContact OD2-OH 3.32Å
565	T	98.2	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.			trans	-92.7	2.6	178.4	73.4	0	0	0	0	113.9	F567 R568 D569 A570 E602 D792 V793 Q804	T565-F567 PolarHBondContact O-N 2.87Å; T565-F567 VanDerWaalsContact O-N 3.09Å; T565-R568 CarbonylContact O-C 3.19Å; T565-R568 PolarHBondContact O-N 2.8Å; T565-D569 PolarHBondContact O-N 2.73Å; T565-D569 VanDerWaalsContact O-N 3.12Å; T565-A570 PolarHBondContact O-N 2.68Å; T565-E602 HydrophobicContact CG2-CB 4.46Å; T565-D792 HydrophobicContact CG2-CB 3.78Å; T565-V793 PolarHBondContact N-O 2.91Å; T565-V793 PolarHBondContact OG1-O 3.19Å; T565-Q804 HydrophobicContact CG2-CG 3.91Å; T565-Q804 WeakPolarHBondContact OG1-CG 3.2Å; T565-Q804 PolarHBondContact OG1-OE1 3.14Å
566	T	97.9	Very high	95.1	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	11%	0.109	C	C	.	.	I	π-helix	trans	-52.2	-36.6	-177.4	-60.7	0	0	0	0	112.5	D564 H571 V795 M798 Y831	D564-T566 WeakPolarHBondContact OD1-CB 3.2Å; D564-T566 PolarHBondContact OD1-N 2.69Å; D564-T566 PolarHBondContact OD1-OG1 3.34Å; T566-H571 PolarHBondContact O-CD2 2.75Å; T566-V795 HydrophobicContact CG2-CG1 3.7Å; T566-V795 PolarHBondContact OG1-N 3.34Å; T566-M798 HydrophobicContact CG2-CB 4.22Å; T566-M798 HydrophobicContact CG2-CG 4.18Å; T566-Y831 WeakPolarHBondContact CB-OH 3.28Å
567	F	97.8	Very high	94.8	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.079	C	C	.	.	I	π-helix	trans	-83.1	-7.8	-178.2	-76.7	31.4	0	0	0	113.7	T565 H571 L584 I587 E602 M603 L627 I631 Y831	T565-F567 PolarHBondContact O-N 2.87Å; T565-F567 VanDerWaalsContact O-N 3.09Å; F567-H571 VanDerWaalsContact C-CD2 3.47Å; F567-H571 PolarHBondContact O-CD2 3.05Å; F567-H571 PolarHBondContact O-NE2 3.19Å; F567-L584 HydrophobicContact CB-CD2 4.43Å; F567-L584 HydrophobicContact CD1-CD2 3.72Å; F567-L584 HydrophobicContact CD2-CB 4.33Å; F567-L584 HydrophobicContact CD2-CD1 4.33Å; F567-L584 HydrophobicContact CD2-CD2 4.19Å; F567-L584 HydrophobicContact CE1-CD2 3.93Å; F567-L584 HydrophobicContact CE2-CB 4.1Å; F567-L584 HydrophobicContact CE2-CD2 4.4Å; F567-L584 HydrophobicContact CG-CD1 4.4Å; F567-L584 HydrophobicContact CG-CD2 3.84Å; F567-L584 HydrophobicContact CZ-CB 4.36Å; F567-L584 HydrophobicContact CZ-CD2 4.28Å; F567-I587 HydrophobicContact CE1-CG2 4.19Å; F567-I587 HydrophobicContact CZ-CG2 4.04Å; F567-E602 CarbonylContact C-O 3.59Å; F567-M603 HydrophobicContact CB-CB 3.4Å; F567-M603 HydrophobicContact CD2-CB 3.85Å; F567-M603 HydrophobicContact CG-CB 4.12Å; F567-L627 HydrophobicContact CD2-CD1 4.08Å; F567-L627 HydrophobicContact CE2-CD1 4.28Å; F567-L627 HydrophobicContact CE2-CD2 4.32Å; F567-I631 HydrophobicContact CE2-CD1 4.15Å; F567-Y831 HydrophobicContact CE1-CE2 4.38Å; F567-Y831 VanDerWaalsContact CE1-OH 3.29Å; F567-Y831 WeakPolarHBondContact CE1-OH 3.35Å
568	R	96.9	Very high	94.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-135.4	-85.4	-179	-155	-71.5	-69.2	168.6	4.2	113.4	T565 A570 H571 Q572 E602 W604 T608	T565-R568 CarbonylContact O-C 3.19Å; T565-R568 PolarHBondContact O-N 2.8Å; R568-A570 VanDerWaalsContact C-N 3.32Å; R568-A570 PolarHBondContact O-N 3.39Å; R568-H571 PolarHBondContact O-CD2 3.04Å; R568-H571 VanDerWaalsContact O-CD2 3.31Å; R568-Q572 VanDerWaalsContact NH1-CD 3.32Å; R568-Q572 VanDerWaalsContact NH1-OE1 3.11Å; R568-Q572 VanDerWaalsContact O-CB 3.23Å; R568-Q572 WeakPolarHBondContact O-CB 3.4Å; R568-Q572 PolarHBondContact O-N 3.03Å; R568-E602 HydrophobicContact CB-CG 4.23Å; R568-E602 WeakPolarHBondContact CB-O 3.3Å; R568-E602 IonicContact CZ-OE2 3.21Å; R568-E602 PolarHBondContact N-O 2.74Å; R568-E602 IonicContact NE-OE1 3.96Å; R568-E602 IonicContact NE-OE2 3.3Å; R568-E602 PolarHBondContact NE-OE2 3.06Å; R568-E602 VanDerWaalsContact NH2-CD 3.26Å; R568-E602 IonicContact NH2-OE1 3.36Å; R568-E602 PolarHBondContact NH2-OE1 2.99Å; R568-E602 VanDerWaalsContact NH2-OE1 3.15Å; R568-E602 IonicContact NH2-OE2 3.94Å; R568-E602 PolarHBondContact NH2-OE2 3.27Å; R568-W604 WeakPolarHBondContact CG-O 3.46Å; R568-T608 HydrophobicContact CG-CG2 3.82Å
569	D	95.2	Very high	94.9	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.021	3%	0.027	C	C	.	.	I	π-helix	trans	-69.9	-28.5	-167.5	-136.8	-6.6	0	0	0	113.3	T565 Q572 S573 K738 H768 H770	T565-D569 PolarHBondContact O-N 2.73Å; T565-D569 VanDerWaalsContact O-N 3.12Å; D569-Q572 WeakPolarHBondContact O-CB 3.16Å; D569-Q572 PolarHBondContact O-N 2.73Å; D569-Q572 PolarHBondContact OD1-NE2 3.2Å; D569-S573 WeakPolarHBondContact O-CB 3.03Å; D569-S573 PolarHBondContact O-N 3.36Å; D569-S573 PolarHBondContact O-OG 3.36Å; D569-K738 IonicContact OD2-NZ 3.8Å; D569-K738 PolarHBondContact OD2-NZ 3.49Å; D569-H768 IonicContact OD2-CE1 2.66Å; D569-H768 PolarHBondContact OD2-CE1 3.47Å; D569-H768 VanDerWaalsContact OD2-CE1 3.3Å; D569-H768 IonicContact OD2-NE2 2.75Å; D569-H770 IonicContact OD1-CE1 3.78Å; D569-H770 IonicContact OD2-CE1 2.82Å; D569-H770 IonicContact OD2-NE2 3.28Å
570	A	94.9	Very high	95.1	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.02	C	C	.	.	I	π-helix	trans	-63.1	-55.5	179.4	0	0	0	0	0	112.3	T565 R568 Q572 S573 L574 A794 M798 S803	T565-A570 PolarHBondContact O-N 2.68Å; R568-A570 VanDerWaalsContact C-N 3.32Å; R568-A570 PolarHBondContact O-N 3.39Å; A570-Q572 VanDerWaalsContact C-N 3.34Å; A570-S573 PolarHBondContact O-N 3.25Å; A570-L574 WeakPolarHBondContact O-CB 3.34Å; A570-L574 WeakPolarHBondContact O-CG 3.2Å; A570-L574 PolarHBondContact O-N 3.03Å; A570-A794 HydrophobicContact CB-CB 3.9Å; A570-M798 HydrophobicContact CB-CB 4.35Å; A570-M798 HydrophobicContact CB-CE 4.34Å; A570-S803 VanDerWaalsContact CA-OG 3.31Å; A570-S803 WeakPolarHBondContact CA-OG 3.3Å; A570-S803 WeakPolarHBondContact CB-OG 3.28Å
571	H	93.9	Very high	95	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-74.9	-23.3	176.8	77.3	98.5	0	0	0	113.1	T566 F567 R568 S573 L575 A576 T577 V579 M798	T566-H571 PolarHBondContact O-CD2 2.75Å; F567-H571 VanDerWaalsContact C-CD2 3.47Å; F567-H571 PolarHBondContact O-CD2 3.05Å; F567-H571 PolarHBondContact O-NE2 3.19Å; R568-H571 PolarHBondContact O-CD2 3.04Å; R568-H571 VanDerWaalsContact O-CD2 3.31Å; H571-S573 VanDerWaalsContact C-N 3.26Å; H571-S573 PolarHBondContact O-N 3.37Å; H571-L575 HydrophobicContact CB-CB 4.26Å; H571-L575 HydrophobicContact CB-CD1 4.28Å; H571-L575 CarbonylContact O-C 3.43Å; H571-L575 VanDerWaalsContact O-C 3.27Å; H571-L575 WeakPolarHBondContact O-CA 3.19Å; H571-L575 PolarHBondContact O-N 2.81Å; H571-A576 PolarHBondContact O-N 2.92Å; H571-T577 VanDerWaalsContact ND1-CA 3.35Å; H571-T577 WeakPolarHBondContact ND1-CA 3.41Å; H571-T577 WeakPolarHBondContact O-CA 3.33Å; H571-T577 PolarHBondContact O-N 3.31Å; H571-V579 HydrophobicContact CB-CB 4.08Å; H571-V579 HydrophobicContact CB-CG2 3.51Å; H571-V579 PolarHBondContact ND1-N 3.48Å; H571-M798 HydrophobicContact CB-CE 3.7Å
572	Q	91.7	Very high	94.9	Very high	31 Å²	31	7.1 Å²	7.1	15%	0.145	3%	0.033	C	C	.	.	H	α-helix	trans	-58.4	-39.8	166.4	-175.7	179.4	-76.4	0	0	111.5	R568 D569 A570 T577 A607	R568-Q572 VanDerWaalsContact NH1-CD 3.32Å; R568-Q572 VanDerWaalsContact NH1-OE1 3.11Å; R568-Q572 VanDerWaalsContact O-CB 3.23Å; R568-Q572 WeakPolarHBondContact O-CB 3.4Å; R568-Q572 PolarHBondContact O-N 3.03Å; D569-Q572 WeakPolarHBondContact O-CB 3.16Å; D569-Q572 PolarHBondContact O-N 2.73Å; D569-Q572 PolarHBondContact OD1-NE2 3.2Å; A570-Q572 VanDerWaalsContact C-N 3.34Å; Q572-T577 WeakPolarHBondContact CA-OG1 3.35Å; Q572-T577 HydrophobicContact CB-CG2 4.11Å; Q572-T577 HydrophobicContact CG-CG2 4.37Å; Q572-A607 HydrophobicContact CG-CB 4.12Å
573	S	90.2	Very high	94.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-86.2	-39.1	-175.8	-55.4	0	0	0	0	113.8	D569 A570 H571 T802 T869	D569-S573 WeakPolarHBondContact O-CB 3.03Å; D569-S573 PolarHBondContact O-N 3.36Å; D569-S573 PolarHBondContact O-OG 3.36Å; A570-S573 PolarHBondContact O-N 3.25Å; H571-S573 VanDerWaalsContact C-N 3.26Å; H571-S573 PolarHBondContact O-N 3.37Å; S573-T802 WeakPolarHBondContact CB-O 3.2Å; S573-T802 PolarHBondContact O-OG1 3.49Å; S573-T802 PolarHBondContact OG-O 2.93Å; S573-T869 PolarHBondContact O-OG1 3.18Å
574	L	90.7	Very high	94.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-93.8	-33.1	-174.5	-62.8	176.2	0	0	0	114.8	A570 M798 M801 C847	A570-L574 WeakPolarHBondContact O-CB 3.34Å; A570-L574 WeakPolarHBondContact O-CG 3.2Å; A570-L574 PolarHBondContact O-N 3.03Å; L574-M798 HydrophobicContact CD1-CE 4.34Å; L574-M798 WeakPolarHBondContact CD1-O 3.49Å; L574-M801 HydrophobicContact CD2-CB 4.41Å; L574-M801 HydrophobicContact CD2-CE 3.95Å; L574-C847 WeakPolarHBondContact O-CB 3.36Å; L574-C847 PolarHBondContact O-N 3.35Å; L574-C847 VanDerWaalsContact O-N 3.09Å
575	L	91.1	Very high	94.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-128.6	27.2	-166.5	-58.9	177.6	0	0	0	112.8	H571 T577 R578 V579 M798 R839 Y842 E846	H571-L575 HydrophobicContact CB-CB 4.26Å; H571-L575 HydrophobicContact CB-CD1 4.28Å; H571-L575 CarbonylContact O-C 3.43Å; H571-L575 VanDerWaalsContact O-C 3.27Å; H571-L575 WeakPolarHBondContact O-CA 3.19Å; H571-L575 PolarHBondContact O-N 2.81Å; L575-T577 PolarHBondContact O-N 2.82Å; L575-R578 VanDerWaalsContact O-CB 3.24Å; L575-R578 WeakPolarHBondContact O-CB 3.19Å; L575-R578 VanDerWaalsContact O-CG 3.27Å; L575-R578 WeakPolarHBondContact O-CG 3.34Å; L575-R578 PolarHBondContact O-N 3.27Å; L575-V579 HydrophobicContact CD1-CG2 3.69Å; L575-M798 HydrophobicContact CD1-CE 3.83Å; L575-M798 HydrophobicContact CD1-SD 4.14Å; L575-M798 HydrophobicContact CG-CE 4.43Å; L575-R839 HydrophobicContact CD1-CG 4.36Å; L575-R839 HydrophobicContact CD2-CG 4.27Å; L575-Y842 HydrophobicContact CD1-CD2 4.38Å; L575-Y842 HydrophobicContact CD1-CG 4.2Å; L575-E846 HydrophobicContact CD2-CB 4.44Å; L575-E846 WeakPolarHBondContact CD2-OE2 3.3Å
576	A	88.5	Confident	94.5	Very high	8 Å²	8	13.6 Å²	13.6	7%	0.066	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	34.7	-178.5	0	0	0	0	0	114.6	H571 R578 F873	H571-A576 PolarHBondContact O-N 2.92Å; A576-R578 HydrophobicContact CB-CG 4.25Å; A576-R578 PolarHBondContact O-N 3.31Å; A576-R578 PolarHBondContact O-NH1 2.97Å; A576-F873 HydrophobicContact CB-CE2 4.42Å
577	T	91.9	Very high	94.4	Very high	9 Å²	9	13.5 Å²	13.5	6%	0.055	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	21.3	-176.6	-24.6	0	0	0	0	114.8	H571 Q572 L575 V579 A607 T608 V611	H571-T577 VanDerWaalsContact ND1-CA 3.35Å; H571-T577 WeakPolarHBondContact ND1-CA 3.41Å; H571-T577 WeakPolarHBondContact O-CA 3.33Å; H571-T577 PolarHBondContact O-N 3.31Å; Q572-T577 WeakPolarHBondContact CA-OG1 3.35Å; Q572-T577 HydrophobicContact CB-CG2 4.11Å; Q572-T577 HydrophobicContact CG-CG2 4.37Å; L575-T577 PolarHBondContact O-N 2.82Å; T577-V579 PolarHBondContact O-N 3.01Å; T577-A607 HydrophobicContact CG2-CB 4.13Å; T577-T608 HydrophobicContact CG2-CG2 3.63Å; T577-V611 HydrophobicContact CG2-CB 4.47Å; T577-V611 VanDerWaalsContact O-CG1 3.31Å; T577-V611 WeakPolarHBondContact O-CG1 3.43Å
578	R	93.3	Very high	94.4	Very high	20 Å²	20	13.5 Å²	13.5	8%	0.075	6%	0.059	C	C	.	.			trans	-83.5	-5.2	-168.5	-64.8	-62.7	-167.5	-101.8	11.2	116	L575 A576 R580 F615 L616 Y842 F845	L575-R578 VanDerWaalsContact O-CB 3.24Å; L575-R578 WeakPolarHBondContact O-CB 3.19Å; L575-R578 VanDerWaalsContact O-CG 3.27Å; L575-R578 WeakPolarHBondContact O-CG 3.34Å; L575-R578 PolarHBondContact O-N 3.27Å; A576-R578 HydrophobicContact CB-CG 4.25Å; A576-R578 PolarHBondContact O-N 3.31Å; A576-R578 PolarHBondContact O-NH1 2.97Å; R578-R580 PolarHBondContact O-N 3.34Å; R578-F615 VanDerWaalsContact NH2-CD2 3.32Å; R578-L616 HydrophobicContact CB-CD2 4.3Å; R578-L616 WeakPolarHBondContact O-CD1 3.38Å; R578-L616 VanDerWaalsContact O-CD2 3.3Å; R578-L616 WeakPolarHBondContact O-CD2 3.25Å; R578-Y842 HydrophobicContact CB-CD1 4.12Å; R578-Y842 HydrophobicContact CB-CE1 4.46Å; R578-Y842 WeakPolarHBondContact O-CE1 3.37Å; R578-F845 HydrophobicContact CB-CD2 3.85Å; R578-F845 HydrophobicContact CB-CE2 4.2Å; R578-F845 HydrophobicContact CB-CG 4.07Å; R578-F845 HydrophobicContact CG-CB 4.18Å; R578-F845 HydrophobicContact CG-CD1 3.71Å; R578-F845 HydrophobicContact CG-CD2 3.83Å; R578-F845 HydrophobicContact CG-CE1 4Å; R578-F845 HydrophobicContact CG-CE2 4.11Å; R578-F845 HydrophobicContact CG-CG 3.61Å; R578-F845 HydrophobicContact CG-CZ 4.19Å
579	V	96.4	Very high	94.3	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.065	C	C	.	.			trans	-65.8	123.2	-178	179	0	0	0	0	110.6	H571 L575 T577 L584 R623 M838 Y842	H571-V579 HydrophobicContact CB-CB 4.08Å; H571-V579 HydrophobicContact CB-CG2 3.51Å; H571-V579 PolarHBondContact ND1-N 3.48Å; L575-V579 HydrophobicContact CD1-CG2 3.69Å; T577-V579 PolarHBondContact O-N 3.01Å; V579-L584 HydrophobicContact CG1-CD1 4.43Å; V579-L584 HydrophobicContact CG1-CD2 3.67Å; V579-L584 HydrophobicContact CG1-CG 3.87Å; V579-R623 VanDerWaalsContact O-CZ 3.3Å; V579-R623 PolarHBondContact O-NH1 3.27Å; V579-R623 PolarHBondContact O-NH2 3.42Å; V579-M838 HydrophobicContact CG1-CE 4.17Å; V579-M838 HydrophobicContact CG1-SD 3.93Å; V579-M838 HydrophobicContact CG2-CE 4.21Å; V579-Y842 HydrophobicContact CB-CE2 4.46Å; V579-Y842 HydrophobicContact CG1-CE2 4.3Å; V579-Y842 HydrophobicContact CG2-CD2 4.1Å; V579-Y842 HydrophobicContact CG2-CE1 4.43Å; V579-Y842 HydrophobicContact CG2-CE2 4Å; V579-Y842 HydrophobicContact CG2-CG 4.39Å
580	R	97.2	Very high	94.4	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.063	C	C	.	.			trans	-84.3	158.2	-172	-67.2	174.3	66.8	-108.5	3.8	112.6	R578 Y582 D583 L616 Y842 V1028 D1029 L1031 T1033	R578-R580 PolarHBondContact O-N 3.34Å; R580-Y582 PolarHBondContact O-N 3.47Å; R580-D583 PolarHBondContact O-N 3.12Å; R580-L616 HydrophobicContact CG-CB 4.48Å; R580-L616 HydrophobicContact CG-CD1 4.09Å; R580-L616 HydrophobicContact CG-CD2 3.97Å; R580-L616 HydrophobicContact CG-CG 4.4Å; R580-Y842 HydrophobicContact CG-CE1 4.47Å; R580-Y842 PolarHBondContact N-OH 2.74Å; R580-V1028 PolarHBondContact NH2-O 3.23Å; R580-D1029 PolarHBondContact NH2-O 3.46Å; R580-L1031 VanDerWaalsContact CZ-O 3.31Å; R580-L1031 PolarHBondContact NH1-O 3.05Å; R580-L1031 PolarHBondContact NH2-O 3.17Å; R580-T1033 VanDerWaalsContact NH1-CA 3.34Å; R580-T1033 PolarHBondContact NH1-OG1 2.81Å
581	T	96.8	Very high	94.5	Very high	6 Å²	6	14.2 Å²	14.2	4%	0.037	6%	0.063	C	C	.	.	H	α-helix	trans	-57.6	-35.1	176.4	-63	0	0	0	0	112.2	D583 L584 K585 E618 R623	T581-D583 PolarHBondContact O-N 3.08Å; T581-L584 PolarHBondContact O-N 3.1Å; T581-K585 VanDerWaalsContact O-CB 3.27Å; T581-K585 WeakPolarHBondContact O-CB 3.45Å; T581-K585 PolarHBondContact O-N 3.13Å; T581-E618 WeakPolarHBondContact CB-OE1 3.39Å; T581-E618 PolarHBondContact N-OE1 2.76Å; T581-E618 PolarHBondContact N-OE2 2.67Å; T581-E618 VanDerWaalsContact N-OE2 3.11Å; T581-E618 PolarHBondContact OG1-OE1 3.3Å; T581-R623 HydrophobicContact CG2-CB 4.24Å; T581-R623 HydrophobicContact CG2-CG 4.2Å; T581-R623 WeakPolarHBondContact OG1-CB 3.42Å; T581-R623 VanDerWaalsContact OG1-CG 3.28Å; T581-R623 WeakPolarHBondContact OG1-CG 3.15Å; T581-R623 PolarHBondContact OG1-NE 3.39Å; T581-R623 VanDerWaalsContact OG1-NE 3.11Å
582	Y	95.6	Very high	94.6	Very high	66 Å²	66	14.3 Å²	14.3	26%	0.259	6%	0.064	S	C	.	.	H	α-helix	trans	-51.9	-49	179.6	-174.7	-88.5	0	0	0	113.4	R580 R586 L1031 P1032	R580-Y582 PolarHBondContact O-N 3.47Å; Y582-R586 WeakPolarHBondContact O-CG 3.31Å; Y582-R586 PolarHBondContact O-N 3.09Å; Y582-L1031 WeakPolarHBondContact CD2-O 3.47Å; Y582-P1032 HydrophobicContact CE1-CB 4.32Å
583	D	96.3	Very high	94.8	Very high	2 Å²	2	16 Å²	16	1%	0.011	7%	0.07	C	C	.	.	H	α-helix	trans	-78.2	-44.1	-176.4	-60.5	-53.4	0	0	0	111.5	R580 T581 K585 R586 I587 Y834 M838 Y842 T1033	R580-D583 PolarHBondContact O-N 3.12Å; T581-D583 PolarHBondContact O-N 3.08Å; D583-K585 VanDerWaalsContact C-N 3.25Å; D583-K585 PolarHBondContact O-N 2.72Å; D583-R586 PolarHBondContact O-N 3.12Å; D583-I587 PolarHBondContact O-N 3.18Å; D583-Y834 PolarHBondContact O-OH 2.92Å; D583-Y834 VanDerWaalsContact O-OH 3.05Å; D583-M838 HydrophobicContact CB-CG 3.87Å; D583-M838 HydrophobicContact CB-SD 3.8Å; D583-Y842 PolarHBondContact OD2-OH 2.78Å; D583-T1033 WeakPolarHBondContact OD2-CB 3.46Å; D583-T1033 PolarHBondContact OD2-OG1 3.29Å
584	L	97	Very high	95.1	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-56.4	-40.5	176.7	-60.8	-179.1	0	0	0	111.8	F567 V579 T581 R586 S588 L627	F567-L584 HydrophobicContact CB-CD2 4.43Å; F567-L584 HydrophobicContact CD1-CD2 3.72Å; F567-L584 HydrophobicContact CD2-CB 4.33Å; F567-L584 HydrophobicContact CD2-CD1 4.33Å; F567-L584 HydrophobicContact CD2-CD2 4.19Å; F567-L584 HydrophobicContact CE1-CD2 3.93Å; F567-L584 HydrophobicContact CE2-CB 4.1Å; F567-L584 HydrophobicContact CE2-CD2 4.4Å; F567-L584 HydrophobicContact CG-CD1 4.4Å; F567-L584 HydrophobicContact CG-CD2 3.84Å; F567-L584 HydrophobicContact CZ-CB 4.36Å; F567-L584 HydrophobicContact CZ-CD2 4.28Å; V579-L584 HydrophobicContact CG1-CD1 4.43Å; V579-L584 HydrophobicContact CG1-CD2 3.67Å; V579-L584 HydrophobicContact CG1-CG 3.87Å; T581-L584 PolarHBondContact O-N 3.1Å; L584-R586 VanDerWaalsContact C-N 3.34Å; L584-R586 PolarHBondContact O-N 3.1Å; L584-S588 WeakPolarHBondContact O-CB 3.27Å; L584-S588 PolarHBondContact O-N 3.29Å; L584-S588 VanDerWaalsContact O-N 3.13Å; L584-S588 PolarHBondContact O-OG 2.79Å; L584-L627 HydrophobicContact CB-CD1 4.27Å; L584-L627 HydrophobicContact CB-CD2 3.79Å; L584-L627 HydrophobicContact CD1-CD1 4.31Å
585	K	95.7	Very high	95.4	Very high	64 Å²	64	16.6 Å²	16.6	28%	0.278	7%	0.074	S	C	.	.	H	α-helix	trans	-65.1	-35.2	178.1	-170.3	179.6	-171.7	178.1	0	112.6	T581 D583 P589 E626 L627 Q630	T581-K585 VanDerWaalsContact O-CB 3.27Å; T581-K585 WeakPolarHBondContact O-CB 3.45Å; T581-K585 PolarHBondContact O-N 3.13Å; D583-K585 VanDerWaalsContact C-N 3.25Å; D583-K585 PolarHBondContact O-N 2.72Å; K585-P589 WeakPolarHBondContact O-CD 3.19Å; K585-E626 HydrophobicContact CD-CB 4.19Å; K585-E626 WeakPolarHBondContact CD-OE2 3.38Å; K585-E626 WeakPolarHBondContact CE-OE2 3.33Å; K585-E626 IonicContact NZ-OE2 2.84Å; K585-E626 PolarHBondContact NZ-OE2 2.97Å; K585-L627 HydrophobicContact CB-CD2 4.17Å; K585-Q630 HydrophobicContact CG-CG 4.24Å
586	R	94.9	Very high	95.6	Very high	68 Å²	68	17.1 Å²	17.1	26%	0.257	8%	0.078	S	C	.	.	H	α-helix	trans	-68.3	-37.8	-177.8	-73.2	174.7	73.2	-118.2	-9	112.5	P524 V526 Y582 D583 L584 Y834	P524-R586 VanDerWaalsContact O-CZ 3.32Å; P524-R586 PolarHBondContact O-NH1 3.05Å; P524-R586 PolarHBondContact O-NH2 2.93Å; V526-R586 WeakPolarHBondContact CG1-O 3.24Å; V526-R586 HydrophobicContact CG2-CB 3.93Å; V526-R586 WeakPolarHBondContact CG2-O 3.36Å; Y582-R586 WeakPolarHBondContact O-CG 3.31Å; Y582-R586 PolarHBondContact O-N 3.09Å; D583-R586 PolarHBondContact O-N 3.12Å; L584-R586 VanDerWaalsContact C-N 3.34Å; L584-R586 PolarHBondContact O-N 3.1Å; R586-Y834 PolarHBondContact NH1-OH 3.43Å
587	I	96.5	Very high	95.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-87.1	-20.1	178.6	-166.8	57.9	0	0	0	113.7	V526 P527 F567 D583 F590 V591 Y831 Y834	V526-I587 HydrophobicContact CG1-CD1 4.37Å; P527-I587 HydrophobicContact CG-CD1 4.47Å; F567-I587 HydrophobicContact CE1-CG2 4.19Å; F567-I587 HydrophobicContact CZ-CG2 4.04Å; D583-I587 PolarHBondContact O-N 3.18Å; I587-F590 HydrophobicContact CD1-CB 3.93Å; I587-F590 HydrophobicContact CD1-CD1 4.24Å; I587-F590 HydrophobicContact CD1-CG 4.26Å; I587-F590 WeakPolarHBondContact O-CB 3.5Å; I587-F590 PolarHBondContact O-N 3.18Å; I587-V591 HydrophobicContact CG1-CG2 4.24Å; I587-V591 PolarHBondContact O-N 2.96Å; I587-Y831 HydrophobicContact CD1-CD2 4.44Å; I587-Y831 HydrophobicContact CG1-CD2 3.78Å; I587-Y831 HydrophobicContact CG1-CE2 4.01Å; I587-Y831 HydrophobicContact CG2-CE2 4.48Å; I587-Y834 HydrophobicContact CB-CD1 3.63Å; I587-Y834 HydrophobicContact CB-CD2 4.36Å; I587-Y834 HydrophobicContact CB-CE1 3.6Å; I587-Y834 HydrophobicContact CB-CE2 4.31Å; I587-Y834 HydrophobicContact CB-CG 4.06Å; I587-Y834 HydrophobicContact CD1-CD1 4.01Å; I587-Y834 HydrophobicContact CD1-CD2 3.99Å; I587-Y834 HydrophobicContact CD1-CG 3.63Å; I587-Y834 HydrophobicContact CG1-CD1 3.68Å; I587-Y834 HydrophobicContact CG1-CD2 4.46Å; I587-Y834 HydrophobicContact CG1-CE1 4.2Å; I587-Y834 HydrophobicContact CG1-CG 3.86Å; I587-Y834 HydrophobicContact CG2-CD1 4.03Å; I587-Y834 HydrophobicContact CG2-CE1 3.78Å
588	S	97.1	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-48.1	-45.1	-177.7	-75.8	0	0	0	0	115.8	L584 F590 V591 A592 L627 I631	L584-S588 WeakPolarHBondContact O-CB 3.27Å; L584-S588 PolarHBondContact O-N 3.29Å; L584-S588 VanDerWaalsContact O-N 3.13Å; L584-S588 PolarHBondContact O-OG 2.79Å; S588-F590 VanDerWaalsContact C-N 3.3Å; S588-F590 PolarHBondContact O-N 2.96Å; S588-V591 PolarHBondContact O-N 3.05Å; S588-A592 PolarHBondContact O-N 3.48Å; S588-L627 WeakPolarHBondContact OG-CD2 3.35Å; S588-I631 WeakPolarHBondContact OG-CD1 3.47Å
589	P	96	Very high	96.4	Very high	19 Å²	19	17.7 Å²	17.7	12%	0.123	8%	0.079	C	C	.	.	H	α-helix	trans	-64.4	-30.8	178.6	-23	34.8	0	0	0	114.1	F529 K585 R593 Q630	F529-P589 HydrophobicContact CD1-CB 4.36Å; F529-P589 HydrophobicContact CD2-CB 4.41Å; F529-P589 HydrophobicContact CE1-CB 3.88Å; F529-P589 HydrophobicContact CE2-CB 3.95Å; F529-P589 HydrophobicContact CZ-CB 3.66Å; F529-P589 HydrophobicContact CZ-CG 4.32Å; K585-P589 WeakPolarHBondContact O-CD 3.19Å; P589-R593 WeakPolarHBondContact O-CB 3.3Å; P589-R593 WeakPolarHBondContact O-CD 3.21Å; P589-R593 VanDerWaalsContact O-CG 3.3Å; P589-R593 WeakPolarHBondContact O-CG 3.4Å; P589-R593 PolarHBondContact O-N 3.3Å; P589-Q630 HydrophobicContact CG-CB 4.36Å
590	F	96.7	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.4	-50.6	173.4	177.9	-89.5	0	0	0	110.1	P527 F529 I532 I587 S588 A592 R593 A594 D827 K830	P527-F590 HydrophobicContact CB-CD2 3.81Å; P527-F590 HydrophobicContact CB-CE2 3.79Å; P527-F590 HydrophobicContact CB-CZ 4.48Å; P527-F590 HydrophobicContact CG-CD2 4.35Å; P527-F590 HydrophobicContact CG-CE2 4.42Å; F529-F590 HydrophobicContact CB-CB 4.48Å; F529-F590 HydrophobicContact CB-CD2 4.11Å; F529-F590 HydrophobicContact CD1-CB 4.07Å; I532-F590 HydrophobicContact CD1-CE2 4.36Å; I587-F590 HydrophobicContact CD1-CB 3.93Å; I587-F590 HydrophobicContact CD1-CD1 4.24Å; I587-F590 HydrophobicContact CD1-CG 4.26Å; I587-F590 WeakPolarHBondContact O-CB 3.5Å; I587-F590 PolarHBondContact O-N 3.18Å; S588-F590 VanDerWaalsContact C-N 3.3Å; S588-F590 PolarHBondContact O-N 2.96Å; F590-A592 VanDerWaalsContact C-N 3.34Å; F590-A592 PolarHBondContact O-N 3.48Å; F590-R593 PolarHBondContact O-N 3.1Å; F590-R593 VanDerWaalsContact O-N 3.11Å; F590-A594 HydrophobicContact CD1-CB 4.14Å; F590-A594 HydrophobicContact CD2-CB 4.41Å; F590-A594 HydrophobicContact CE1-CB 3.71Å; F590-A594 HydrophobicContact CE2-CB 4.01Å; F590-A594 HydrophobicContact CG-CB 4.46Å; F590-A594 HydrophobicContact CZ-CB 3.62Å; F590-A594 VanDerWaalsContact O-CB 3.28Å; F590-A594 WeakPolarHBondContact O-CB 3.47Å; F590-A594 PolarHBondContact O-N 2.62Å; F590-D827 HydrophobicContact CZ-CB 4.31Å; F590-K830 HydrophobicContact CE1-CB 4.39Å; F590-K830 HydrophobicContact CE2-CB 4.37Å; F590-K830 HydrophobicContact CE2-CD 4.09Å; F590-K830 HydrophobicContact CZ-CB 3.8Å; F590-K830 HydrophobicContact CZ-CD 3.95Å
591	V	96.8	Very high	96.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-57.6	-46.7	-179	-177.6	0	0	0	0	110.9	I587 S588 R593 L595 L598 L601 I634 Y831	I587-V591 HydrophobicContact CG1-CG2 4.24Å; I587-V591 PolarHBondContact O-N 2.96Å; S588-V591 PolarHBondContact O-N 3.05Å; V591-R593 VanDerWaalsContact C-N 3.27Å; V591-R593 PolarHBondContact O-N 2.9Å; V591-L595 HydrophobicContact CG1-CB 4.49Å; V591-L595 HydrophobicContact CG1-CD1 4.48Å; V591-L595 PolarHBondContact O-N 3.44Å; V591-L598 HydrophobicContact CG1-CD1 4.2Å; V591-L601 HydrophobicContact CG1-CD1 3.86Å; V591-L601 HydrophobicContact CG1-CD2 4.22Å; V591-I634 HydrophobicContact CG1-CD1 4.14Å; V591-Y831 HydrophobicContact CG2-CD2 4.09Å; V591-Y831 HydrophobicContact CG2-CE1 4.34Å; V591-Y831 HydrophobicContact CG2-CE2 3.78Å; V591-Y831 HydrophobicContact CG2-CG 4.5Å
592	A	96.7	Very high	96.6	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.017	8%	0.077	C	C	.	.	H	α-helix	trans	-58.3	-34.3	177.7	0	0	0	0	0	114.1	L534 S588 F590 I631 N633	L534-A592 HydrophobicContact CD1-CB 4.12Å; S588-A592 PolarHBondContact O-N 3.48Å; F590-A592 VanDerWaalsContact C-N 3.34Å; F590-A592 PolarHBondContact O-N 3.48Å; A592-I631 HydrophobicContact CB-CB 4.23Å; A592-I631 HydrophobicContact CB-CG1 4.1Å; A592-I631 HydrophobicContact CB-CG2 4.06Å; A592-N633 PolarHBondContact O-ND2 3.41Å
593	R	96.2	Very high	96.7	Very high	68 Å²	68	14.2 Å²	14.2	26%	0.257	7%	0.065	S	C	.	.	H	α-helix	trans	-91.3	-39.6	-176.3	-70.8	170.1	174	-126.1	11.2	113.1	F529 I532 L534 P589 F590 V591	F529-R593 PolarHBondContact O-NH1 3.4Å; I532-R593 HydrophobicContact CB-CB 4.07Å; I532-R593 HydrophobicContact CG2-CB 3.84Å; I532-R593 WeakPolarHBondContact CG2-O 3.33Å; I532-R593 VanDerWaalsContact O-CD 3.31Å; I532-R593 WeakPolarHBondContact O-CD 3.35Å; I532-R593 PolarHBondContact O-NH1 3.3Å; L534-R593 HydrophobicContact CB-CG 4.39Å; L534-R593 HydrophobicContact CD1-CG 4.34Å; P589-R593 WeakPolarHBondContact O-CB 3.3Å; P589-R593 WeakPolarHBondContact O-CD 3.21Å; P589-R593 VanDerWaalsContact O-CG 3.3Å; P589-R593 WeakPolarHBondContact O-CG 3.4Å; P589-R593 PolarHBondContact O-N 3.3Å; F590-R593 PolarHBondContact O-N 3.1Å; F590-R593 VanDerWaalsContact O-N 3.11Å; V591-R593 VanDerWaalsContact C-N 3.27Å; V591-R593 PolarHBondContact O-N 2.9Å
594	A	95.6	Very high	96.8	Very high	12 Å²	12	14.2 Å²	14.2	10%	0.099	7%	0.065	C	C	.	.	H	α-helix	trans	-91.2	-29.8	-172.3	0	0	0	0	0	113.8	I532 F590 D827	I532-A594 HydrophobicContact CD1-CB 4.24Å; F590-A594 HydrophobicContact CD1-CB 4.14Å; F590-A594 HydrophobicContact CD2-CB 4.41Å; F590-A594 HydrophobicContact CE1-CB 3.71Å; F590-A594 HydrophobicContact CE2-CB 4.01Å; F590-A594 HydrophobicContact CG-CB 4.46Å; F590-A594 HydrophobicContact CZ-CB 3.62Å; F590-A594 VanDerWaalsContact O-CB 3.28Å; F590-A594 WeakPolarHBondContact O-CB 3.47Å; F590-A594 PolarHBondContact O-N 2.62Å; A594-D827 HydrophobicContact CB-CB 4.31Å
595	L	96	Very high	96.6	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.			trans	-120.9	41.2	-177	-55.2	175.9	0	0	0	114.5	V591 Q597 L598 I634 M807 M823 V828 Y831	V591-L595 HydrophobicContact CG1-CB 4.49Å; V591-L595 HydrophobicContact CG1-CD1 4.48Å; V591-L595 PolarHBondContact O-N 3.44Å; L595-Q597 PolarHBondContact O-N 2.77Å; L595-L598 HydrophobicContact CB-CD1 3.8Å; L595-L598 HydrophobicContact CB-CG 4.1Å; L595-L598 HydrophobicContact CD1-CD1 4.3Å; L595-L598 WeakPolarHBondContact O-CG 3.24Å; L595-L598 PolarHBondContact O-N 2.83Å; L595-I634 WeakPolarHBondContact O-CD1 3.19Å; L595-M807 HydrophobicContact CD1-SD 4.48Å; L595-M823 HydrophobicContact CD2-CG 4.28Å; L595-M823 HydrophobicContact CD2-SD 4.19Å; L595-V828 HydrophobicContact CD2-CG2 4.12Å; L595-Y831 HydrophobicContact CD1-CD1 3.71Å; L595-Y831 HydrophobicContact CD1-CE1 4.2Å
596	P	95.7	Very high	96.2	Very high	11 Å²	11	12.1 Å²	12.1	7%	0.071	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-8.6	179.3	29.9	-38.4	0	0	0	115.1	R535 L598	R535-P596 HydrophobicContact CB-CB 4.34Å; R535-P596 HydrophobicContact CB-CG 4.15Å; P596-L598 VanDerWaalsContact C-N 3.34Å
597	Q	95.5	Very high	95.9	Very high	49 Å²	49	10 Å²	10	23%	0.229	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.9	175.2	-59.2	88.1	-34.5	0	0	113.4	W538 L595 F599 G822 M823	W538-Q597 VanDerWaalsContact CD1-O 3.25Å; W538-Q597 PolarHBondContact NE1-O 2.63Å; W538-Q597 VanDerWaalsContact NE1-O 3.16Å; L595-Q597 PolarHBondContact O-N 2.77Å; Q597-F599 PolarHBondContact O-N 3.3Å; Q597-G822 PolarHBondContact NE2-O 2.7Å; Q597-M823 HydrophobicContact CB-CG 3.72Å; Q597-M823 HydrophobicContact CB-SD 4.24Å; Q597-M823 HydrophobicContact CG-CG 4.01Å
598	L	97.6	Very high	95.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.06	C	C	.	.			trans	-55.5	128.3	-180	-72.6	171.1	0	0	0	110.7	L562 D564 V591 L595 P596 S600 L601 I634 M807 M823	L562-L598 HydrophobicContact CB-CD2 4.23Å; D564-L598 HydrophobicContact CB-CD1 4.06Å; D564-L598 HydrophobicContact CB-CD2 4.14Å; V591-L598 HydrophobicContact CG1-CD1 4.2Å; L595-L598 HydrophobicContact CB-CD1 3.8Å; L595-L598 HydrophobicContact CB-CG 4.1Å; L595-L598 HydrophobicContact CD1-CD1 4.3Å; L595-L598 WeakPolarHBondContact O-CG 3.24Å; L595-L598 PolarHBondContact O-N 2.83Å; P596-L598 VanDerWaalsContact C-N 3.34Å; L598-S600 VanDerWaalsContact C-N 3.27Å; L598-S600 PolarHBondContact O-N 3.44Å; L598-L601 HydrophobicContact CD1-CD2 4.44Å; L598-L601 HydrophobicContact CD1-CG 4.39Å; L598-I634 HydrophobicContact CB-CG2 4.05Å; L598-I634 HydrophobicContact CD1-CD1 4.35Å; L598-M807 HydrophobicContact CD2-CE 4.3Å; L598-M823 HydrophobicContact CD2-CE 4.35Å; L598-M823 HydrophobicContact CD2-SD 3.93Å; L598-M823 HydrophobicContact CG-SD 4.16Å
599	F	97.7	Very high	95.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-60.4	-41.5	175.8	158.6	-94	0	0	0	110.7	F550 V554 L561 L562 Q597 P635 V670 I734 H766 I790	F550-F599 HydrophobicContact CE1-CD2 4.35Å; F550-F599 AromaticContact CE1-CE2 3.48Å; F550-F599 HydrophobicContact CE1-CE2 3.48Å; F550-F599 VanDerWaalsContact CE1-CE2 3.48Å; F550-F599 HydrophobicContact CE1-CZ 4.06Å; F550-F599 AromaticContact CZ-CD2 3.91Å; F550-F599 HydrophobicContact CZ-CD2 3.91Å; F550-F599 AromaticContact CZ-CE2 3.48Å; F550-F599 HydrophobicContact CZ-CE2 3.48Å; F550-F599 VanDerWaalsContact CZ-CE2 3.48Å; F550-F599 HydrophobicContact CZ-CZ 4.28Å; V554-F599 HydrophobicContact CG2-CD2 4Å; V554-F599 HydrophobicContact CG2-CE2 3.92Å; L561-F599 HydrophobicContact CB-CB 3.9Å; L561-F599 HydrophobicContact CD1-CB 4.17Å; L561-F599 HydrophobicContact CD1-CD2 4.29Å; L562-F599 PolarHBondContact O-N 3.4Å; Q597-F599 PolarHBondContact O-N 3.3Å; F599-P635 WeakPolarHBondContact O-CB 3.21Å; F599-P635 WeakPolarHBondContact O-CD 3.33Å; F599-P635 WeakPolarHBondContact O-CG 3.46Å; F599-V670 HydrophobicContact CZ-CG2 4.28Å; F599-I734 HydrophobicContact CE2-CD1 3.8Å; F599-I734 HydrophobicContact CZ-CD1 3.56Å; F599-H766 AromaticContact CD1-CE1 3.98Å; F599-H766 AromaticContact CE1-CE1 3.71Å; F599-H766 AromaticContact CE1-ND1 3.81Å; F599-I790 HydrophobicContact CB-CG2 4.03Å; F599-I790 HydrophobicContact CD1-CD1 4.01Å; F599-I790 HydrophobicContact CD1-CG1 4.44Å; F599-I790 HydrophobicContact CD1-CG2 3.75Å; F599-I790 HydrophobicContact CD2-CD1 3.64Å; F599-I790 HydrophobicContact CD2-CG1 4.06Å; F599-I790 HydrophobicContact CE1-CD1 3.85Å; F599-I790 HydrophobicContact CE1-CG2 4.43Å; F599-I790 HydrophobicContact CE2-CD1 3.45Å; F599-I790 VanDerWaalsContact CE2-CD1 3.45Å; F599-I790 HydrophobicContact CE2-CG1 4.37Å; F599-I790 HydrophobicContact CG-CD1 3.91Å; F599-I790 HydrophobicContact CG-CG1 4.1Å; F599-I790 HydrophobicContact CG-CG2 3.89Å; F599-I790 HydrophobicContact CZ-CD1 3.58Å
600	S	98.3	Very high	95.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	164.3	172.8	87.8	0	0	0	0	111.6	S563 D564 L598 P635 Q637	S563-S600 PolarHBondContact OG-OG 2.83Å; D564-S600 PolarHBondContact N-O 3.36Å; L598-S600 VanDerWaalsContact C-N 3.27Å; L598-S600 PolarHBondContact O-N 3.44Å; S600-P635 WeakPolarHBondContact CA-O 3.4Å; S600-Q637 VanDerWaalsContact OG-CB 3.3Å; S600-Q637 WeakPolarHBondContact OG-CB 3.42Å; S600-Q637 PolarHBondContact OG-OE1 3.5Å; S600-Q637 VanDerWaalsContact OG-OE1 3.12Å
601	L	98.4	Very high	95.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.9	157.9	-82.8	152.3	0	0	0	107.8	D564 V591 L598 M603 I631 I634 P635 F636 Q637	D564-L601 HydrophobicContact CB-CD2 3.78Å; D564-L601 VanDerWaalsContact OD2-CD2 3.3Å; D564-L601 WeakPolarHBondContact OD2-CD2 3.25Å; V591-L601 HydrophobicContact CG1-CD1 3.86Å; V591-L601 HydrophobicContact CG1-CD2 4.22Å; L598-L601 HydrophobicContact CD1-CD2 4.44Å; L598-L601 HydrophobicContact CD1-CG 4.39Å; L601-M603 PolarHBondContact O-N 3.41Å; L601-I631 HydrophobicContact CD1-CD1 4Å; L601-I631 HydrophobicContact CD1-CG2 4.03Å; L601-I634 HydrophobicContact CB-CG2 4.42Å; L601-I634 HydrophobicContact CD1-CB 4.14Å; L601-I634 HydrophobicContact CD1-CD1 3.89Å; L601-I634 HydrophobicContact CD1-CG2 3.85Å; L601-I634 HydrophobicContact CG-CG2 4.05Å; L601-P635 PolarHBondContact N-O 3.34Å; L601-F636 HydrophobicContact CB-CD1 3.96Å; L601-F636 HydrophobicContact CB-CE1 4.07Å; L601-F636 HydrophobicContact CD1-CE1 4.33Å; L601-Q637 PolarHBondContact O-N 3.26Å
602	E	98.4	Very high	95.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	106.1	170.2	-159.1	-162.1	-119.7	0	0	108.3	D564 T565 F567 R568 Q637 R672	D564-E602 PolarHBondContact O-N 3.16Å; T565-E602 HydrophobicContact CG2-CB 4.46Å; F567-E602 CarbonylContact C-O 3.59Å; R568-E602 HydrophobicContact CB-CG 4.23Å; R568-E602 WeakPolarHBondContact CB-O 3.3Å; R568-E602 IonicContact CZ-OE2 3.21Å; R568-E602 PolarHBondContact N-O 2.74Å; R568-E602 IonicContact NE-OE1 3.96Å; R568-E602 IonicContact NE-OE2 3.3Å; R568-E602 PolarHBondContact NE-OE2 3.06Å; R568-E602 VanDerWaalsContact NH2-CD 3.26Å; R568-E602 IonicContact NH2-OE1 3.36Å; R568-E602 PolarHBondContact NH2-OE1 2.99Å; R568-E602 VanDerWaalsContact NH2-OE1 3.15Å; R568-E602 IonicContact NH2-OE2 3.94Å; R568-E602 PolarHBondContact NH2-OE2 3.27Å; E602-Q637 WeakPolarHBondContact CA-O 3.36Å; E602-Q637 HydrophobicContact CB-CB 4.19Å; E602-Q637 HydrophobicContact CB-CG 4.42Å; E602-Q637 HydrophobicContact CG-CB 4.17Å; E602-Q637 HydrophobicContact CG-CG 4.04Å; E602-Q637 PolarHBondContact OE1-NE2 3.27Å; E602-R672 IonicContact OE1-CZ 3.18Å; E602-R672 IonicContact OE1-NH1 2.69Å; E602-R672 PolarHBondContact OE1-NH1 3Å
603	M	97.5	Very high	95.2	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	2.6	-169.8	62.7	76.6	-140.4	0	0	114.5	F567 L601 L624 L627 F636 Q637 I668	F567-M603 HydrophobicContact CB-CB 3.4Å; F567-M603 HydrophobicContact CD2-CB 3.85Å; F567-M603 HydrophobicContact CG-CB 4.12Å; L601-M603 PolarHBondContact O-N 3.41Å; M603-L624 HydrophobicContact CE-CD1 3.56Å; M603-L624 HydrophobicContact SD-CD1 4.41Å; M603-L627 HydrophobicContact SD-CD1 4.47Å; M603-F636 HydrophobicContact CE-CB 3.55Å; M603-F636 HydrophobicContact CE-CD1 4.08Å; M603-F636 HydrophobicContact CE-CD2 3.42Å; M603-F636 VanDerWaalsContact CE-CD2 3.42Å; M603-F636 HydrophobicContact CE-CE2 4.09Å; M603-F636 HydrophobicContact CE-CG 3.41Å; M603-F636 VanDerWaalsContact CE-CG 3.41Å; M603-F636 HydrophobicContact CG-CD1 3.44Å; M603-F636 VanDerWaalsContact CG-CD1 3.44Å; M603-F636 HydrophobicContact CG-CD2 4.21Å; M603-F636 HydrophobicContact CG-CE1 3.59Å; M603-F636 HydrophobicContact CG-CE2 4.28Å; M603-F636 HydrophobicContact CG-CG 3.81Å; M603-F636 HydrophobicContact CG-CZ 4.02Å; M603-F636 HydrophobicContact SD-CD1 4.31Å; M603-F636 HydrophobicContact SD-CD2 4Å; M603-F636 HydrophobicContact SD-CE1 4.44Å; M603-F636 HydrophobicContact SD-CE2 4.08Å; M603-F636 HydrophobicContact SD-CG 4.12Å; M603-F636 HydrophobicContact SD-CZ 4.33Å; M603-Q637 PolarHBondContact N-O 2.78Å; M603-I668 HydrophobicContact CE-CD1 3.31Å
604	W	97.6	Very high	95	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	168.4	-171.1	-127.3	58.9	0	0	0	114.4	R568 F609 P620 W621 L624 M638 L639 F659 A663 I668	R568-W604 WeakPolarHBondContact CG-O 3.46Å; W604-F609 HydrophobicContact CH2-CD2 4.05Å; W604-F609 AromaticContact CH2-CE2 3.88Å; W604-F609 HydrophobicContact CH2-CE2 3.88Å; W604-F609 HydrophobicContact CZ2-CD2 4.18Å; W604-F609 HydrophobicContact CZ2-CE2 4.23Å; W604-F609 HydrophobicContact CZ3-CD2 4.49Å; W604-P620 HydrophobicContact CZ2-CB 4.05Å; W604-P620 WeakPolarHBondContact CZ2-O 3.37Å; W604-P620 PolarHBondContact NE1-O 2.94Å; W604-W621 AromaticContact CH2-CD2 3.74Å; W604-W621 HydrophobicContact CH2-CD2 3.74Å; W604-W621 AromaticContact CH2-CE2 3.87Å; W604-W621 AromaticContact CH2-CE3 3.64Å; W604-W621 HydrophobicContact CH2-CE3 3.64Å; W604-W621 HydrophobicContact CH2-CG 4.5Å; W604-W621 AromaticContact CH2-CH2 3.79Å; W604-W621 HydrophobicContact CH2-CH2 3.79Å; W604-W621 AromaticContact CH2-CZ2 3.89Å; W604-W621 HydrophobicContact CH2-CZ2 3.89Å; W604-W621 AromaticContact CH2-CZ3 3.67Å; W604-W621 HydrophobicContact CH2-CZ3 3.67Å; W604-W621 HydrophobicContact CZ2-CD2 4.06Å; W604-W621 HydrophobicContact CZ2-CE3 4.14Å; W604-W621 HydrophobicContact CZ2-CG 4.38Å; W604-W621 HydrophobicContact CZ3-CH2 4.3Å; W604-W621 HydrophobicContact CZ3-CZ3 4.32Å; W604-L624 HydrophobicContact CD2-CD2 4.45Å; W604-L624 HydrophobicContact CE3-CD2 4.47Å; W604-L624 HydrophobicContact CH2-CD2 4.08Å; W604-L624 HydrophobicContact CZ2-CB 4.05Å; W604-L624 HydrophobicContact CZ2-CD2 4.05Å; W604-L624 HydrophobicContact CZ3-CD2 4.29Å; W604-M638 HydrophobicContact CB-CB 3.89Å; W604-M638 HydrophobicContact CE3-CE 4.27Å; W604-M638 HydrophobicContact CE3-SD 4.02Å; W604-M638 HydrophobicContact CZ3-SD 4.46Å; W604-M638 VanDerWaalsContact O-CA 3.27Å; W604-M638 WeakPolarHBondContact O-CA 3.34Å; W604-M638 WeakPolarHBondContact O-CB 3.41Å; W604-L639 PolarHBondContact O-N 2.68Å; W604-F659 HydrophobicContact CH2-CZ 4.45Å; W604-F659 HydrophobicContact CZ3-CE2 4.27Å; W604-F659 AromaticContact CZ3-CZ 3.75Å; W604-F659 HydrophobicContact CZ3-CZ 3.75Å; W604-A663 HydrophobicContact CZ3-CB 4.29Å; W604-I668 HydrophobicContact CB-CD1 4.04Å; W604-I668 HydrophobicContact CD2-CD1 4.25Å; W604-I668 HydrophobicContact CE3-CD1 3.96Å; W604-I668 HydrophobicContact CE3-CG1 4.21Å; W604-I668 HydrophobicContact CG-CD1 4.33Å
605	G	93.3	Very high	94.8	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.2	-161	-174.4	0	0	0	0	0	112.3	A607 T608 L639	G605-A607 PolarHBondContact O-N 3.06Å; G605-T608 PolarHBondContact N-OG1 3.04Å; G605-T608 VanDerWaalsContact N-OG1 3.16Å; G605-T608 WeakPolarHBondContact O-CB 3.46Å; G605-T608 PolarHBondContact O-N 3.12Å; G605-T608 VanDerWaalsContact O-N 3.13Å; G605-T608 PolarHBondContact O-OG1 2.83Å; G605-L639 WeakPolarHBondContact CA-O 3.49Å
606	G	88.2	Confident	94.8	Very high	24 Å²	24	12.3 Å²	12.3	25%	0.247	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	-132.7	-167.2	0	0	0	0	0	111.1	L639	G606-L639 PolarHBondContact N-O 2.85Å; G606-L639 VanDerWaalsContact N-O 3.11Å
607	A	89.1	Confident	94.7	Very high	22 Å²	22	14.1 Å²	14.1	18%	0.182	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.7	178.6	0	0	0	0	0	114.7	Q572 T577 G605 F609 V611	Q572-A607 HydrophobicContact CG-CB 4.12Å; T577-A607 HydrophobicContact CG2-CB 4.13Å; G605-A607 PolarHBondContact O-N 3.06Å; A607-F609 VanDerWaalsContact C-N 3.27Å; A607-F609 PolarHBondContact O-N 2.89Å; A607-V611 HydrophobicContact CB-CG2 4.39Å; A607-V611 WeakPolarHBondContact O-CB 3.43Å; A607-V611 VanDerWaalsContact O-CG2 3.31Å; A607-V611 WeakPolarHBondContact O-CG2 3.3Å; A607-V611 PolarHBondContact O-N 3.47Å; A607-V611 VanDerWaalsContact O-N 3.13Å
608	T	94.1	Very high	94.7	Very high	4 Å²	4	11.9 Å²	11.9	3%	0.025	6%	0.061	C	C	.	.	H	α-helix	trans	-61.9	-33.1	-169.9	57.7	0	0	0	0	113.5	R568 T577 G605 A612	R568-T608 HydrophobicContact CG-CG2 3.82Å; T577-T608 HydrophobicContact CG2-CG2 3.63Å; G605-T608 PolarHBondContact N-OG1 3.04Å; G605-T608 VanDerWaalsContact N-OG1 3.16Å; G605-T608 WeakPolarHBondContact O-CB 3.46Å; G605-T608 PolarHBondContact O-N 3.12Å; G605-T608 VanDerWaalsContact O-N 3.13Å; G605-T608 PolarHBondContact O-OG1 2.83Å; T608-A612 WeakPolarHBondContact O-CB 3.42Å; T608-A612 PolarHBondContact O-N 2.91Å
609	F	94.7	Very high	94.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.4	-51.2	-175.9	-163.5	-83.5	0	0	0	112.7	W604 A607 L613 P620 W621 V646 F659 S1007 Y1011	W604-F609 HydrophobicContact CH2-CD2 4.05Å; W604-F609 AromaticContact CH2-CE2 3.88Å; W604-F609 HydrophobicContact CH2-CE2 3.88Å; W604-F609 HydrophobicContact CZ2-CD2 4.18Å; W604-F609 HydrophobicContact CZ2-CE2 4.23Å; W604-F609 HydrophobicContact CZ3-CD2 4.49Å; A607-F609 VanDerWaalsContact C-N 3.27Å; A607-F609 PolarHBondContact O-N 2.89Å; F609-L613 HydrophobicContact CD1-CD1 4.19Å; F609-L613 HydrophobicContact CE1-CD1 3.94Å; F609-L613 PolarHBondContact O-N 2.66Å; F609-P620 HydrophobicContact CD1-CG 4.3Å; F609-P620 HydrophobicContact CD2-CB 3.9Å; F609-P620 HydrophobicContact CD2-CG 3.62Å; F609-P620 HydrophobicContact CE1-CG 4.39Å; F609-P620 HydrophobicContact CE2-CB 4.34Å; F609-P620 HydrophobicContact CE2-CG 3.72Å; F609-P620 HydrophobicContact CG-CB 4.35Å; F609-P620 HydrophobicContact CG-CG 3.94Å; F609-P620 HydrophobicContact CZ-CG 4.12Å; F609-W621 AromaticContact CE2-CE2 3.72Å; F609-W621 AromaticContact CE2-CZ2 3.89Å; F609-W621 HydrophobicContact CE2-CZ2 3.89Å; F609-W621 AromaticContact CE2-NE1 3.43Å; F609-W621 HydrophobicContact CZ-CZ2 4.22Å; F609-W621 AromaticContact CZ-NE1 3.44Å; F609-V646 HydrophobicContact CB-CB 4.05Å; F609-V646 HydrophobicContact CB-CG2 3.93Å; F609-V646 HydrophobicContact CD1-CG2 3.82Å; F609-V646 HydrophobicContact CD2-CG2 3.87Å; F609-V646 HydrophobicContact CE1-CG2 4.25Å; F609-V646 HydrophobicContact CE2-CG2 4.29Å; F609-V646 HydrophobicContact CG-CB 4.28Å; F609-V646 HydrophobicContact CG-CG2 3.61Å; F609-V646 HydrophobicContact CZ-CG2 4.45Å; F609-F659 HydrophobicContact CD2-CE2 4.36Å; F609-F659 AromaticContact CE2-CE2 3.86Å; F609-F659 HydrophobicContact CE2-CE2 3.86Å; F609-F659 HydrophobicContact CZ-CE2 4.3Å; F609-S1007 WeakPolarHBondContact CZ-OG 3.47Å; F609-Y1011 AromaticContact CD1-CD2 3.93Å; F609-Y1011 HydrophobicContact CD1-CD2 3.93Å; F609-Y1011 AromaticContact CD1-CE2 3.89Å; F609-Y1011 HydrophobicContact CD1-CE2 3.89Å; F609-Y1011 HydrophobicContact CE1-CD2 4.05Å; F609-Y1011 HydrophobicContact CE1-CE2 4.42Å
610	D	91.7	Very high	94.5	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.027	6%	0.064	C	C	.	.	H	α-helix	trans	-65.1	-44.8	175.1	-178.5	79.6	0	0	0	111.2	A612 L613 R614 Y648 Y1011	D610-A612 VanDerWaalsContact C-N 3.34Å; D610-A612 PolarHBondContact O-N 2.66Å; D610-L613 PolarHBondContact O-N 3.1Å; D610-R614 WeakPolarHBondContact O-CB 3.24Å; D610-R614 PolarHBondContact O-N 2.74Å; D610-R614 IonicContact OD1-CZ 3.45Å; D610-R614 VanDerWaalsContact OD1-CZ 3.29Å; D610-R614 IonicContact OD1-NE 3.86Å; D610-R614 PolarHBondContact OD1-NE 2.87Å; D610-R614 VanDerWaalsContact OD1-NE 3.15Å; D610-R614 IonicContact OD1-NH2 3.96Å; D610-R614 PolarHBondContact OD1-NH2 3.22Å; D610-R614 IonicContact OD2-CZ 2.86Å; D610-R614 IonicContact OD2-NE 2.77Å; D610-R614 PolarHBondContact OD2-NE 3Å; D610-R614 IonicContact OD2-NH2 3.2Å; D610-Y648 HydrophobicContact CB-CE2 4.43Å; D610-Y1011 HydrophobicContact CB-CE1 3.91Å; D610-Y1011 HydrophobicContact CB-CE2 4.47Å; D610-Y1011 WeakPolarHBondContact OD1-CD1 3.28Å; D610-Y1011 WeakPolarHBondContact OD1-CE1 3.43Å
611	V	92	Very high	94.5	Very high	8 Å²	8	12.3 Å²	12.3	5%	0.048	6%	0.064	C	C	.	.	H	α-helix	trans	-66.4	-35.8	-175.1	172.8	0	0	0	0	112.1	T577 A607 F615 L616	T577-V611 HydrophobicContact CG2-CB 4.47Å; T577-V611 VanDerWaalsContact O-CG1 3.31Å; T577-V611 WeakPolarHBondContact O-CG1 3.43Å; A607-V611 HydrophobicContact CB-CG2 4.39Å; A607-V611 WeakPolarHBondContact O-CB 3.43Å; A607-V611 VanDerWaalsContact O-CG2 3.31Å; A607-V611 WeakPolarHBondContact O-CG2 3.3Å; A607-V611 PolarHBondContact O-N 3.47Å; A607-V611 VanDerWaalsContact O-N 3.13Å; V611-F615 HydrophobicContact CB-CD2 4.34Å; V611-F615 HydrophobicContact CG1-CB 4.34Å; V611-F615 HydrophobicContact CG1-CD2 4.13Å; V611-F615 HydrophobicContact CG2-CD2 4.1Å; V611-F615 HydrophobicContact CG2-CE2 4.47Å; V611-F615 PolarHBondContact O-N 3.12Å; V611-L616 HydrophobicContact CG1-CD1 4.36Å; V611-L616 HydrophobicContact CG1-CG 4.24Å; V611-L616 PolarHBondContact O-N 2.92Å
612	A	95.9	Very high	94.3	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.008	8%	0.075	C	C	.	.	I	π-helix	trans	-57.8	-53.8	172.6	0	0	0	0	0	111.6	T608 D610 L616 R617 E618 P620	T608-A612 WeakPolarHBondContact O-CB 3.42Å; T608-A612 PolarHBondContact O-N 2.91Å; D610-A612 VanDerWaalsContact C-N 3.34Å; D610-A612 PolarHBondContact O-N 2.66Å; A612-L616 CarbonylContact O-C 3.5Å; A612-L616 PolarHBondContact O-N 3.48Å; A612-R617 WeakPolarHBondContact O-CA 3.42Å; A612-R617 PolarHBondContact O-N 2.91Å; A612-E618 CarbonylContact C-O 3.56Å; A612-E618 HydrophobicContact CB-CG 4.23Å; A612-E618 PolarHBondContact O-N 2.83Å; A612-E618 VanDerWaalsContact O-O 3.12Å; A612-P620 HydrophobicContact CB-CB 3.98Å; A612-P620 HydrophobicContact CB-CG 4.34Å
613	L	95	Very high	94.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	8%	0.075	C	C	.	.	I	π-helix	trans	-69.9	-43.4	-178.1	-64.8	172.2	0	0	0	113	F609 D610 R617 P620 V1014 F1018	F609-L613 HydrophobicContact CD1-CD1 4.19Å; F609-L613 HydrophobicContact CE1-CD1 3.94Å; F609-L613 PolarHBondContact O-N 2.66Å; D610-L613 PolarHBondContact O-N 3.1Å; L613-R617 WeakPolarHBondContact O-CD 3.39Å; L613-R617 PolarHBondContact O-NH1 2.86Å; L613-P620 HydrophobicContact CD2-CG 4.45Å; L613-P620 HydrophobicContact CG-CG 4.2Å; L613-V1014 HydrophobicContact CB-CG1 3.86Å; L613-F1018 HydrophobicContact CB-CB 4.43Å; L613-F1018 HydrophobicContact CD2-CB 4.26Å; L613-F1018 HydrophobicContact CD2-CD1 3.6Å; L613-F1018 HydrophobicContact CD2-CD2 4.16Å; L613-F1018 HydrophobicContact CD2-CE1 3.91Å; L613-F1018 HydrophobicContact CD2-CE2 4.45Å; L613-F1018 HydrophobicContact CD2-CG 3.72Å; L613-F1018 HydrophobicContact CD2-CZ 4.33Å
614	R	92.6	Very high	94.2	Very high	74 Å²	74	14 Å²	14	28%	0.279	8%	0.075	S	C	.	.	I	π-helix	trans	-80.2	-47.7	-170.9	-168.1	-173.1	-61.8	-91.4	4.4	113.2	D610 R617 V1014	D610-R614 WeakPolarHBondContact O-CB 3.24Å; D610-R614 PolarHBondContact O-N 2.74Å; D610-R614 IonicContact OD1-CZ 3.45Å; D610-R614 VanDerWaalsContact OD1-CZ 3.29Å; D610-R614 IonicContact OD1-NE 3.86Å; D610-R614 PolarHBondContact OD1-NE 2.87Å; D610-R614 VanDerWaalsContact OD1-NE 3.15Å; D610-R614 IonicContact OD1-NH2 3.96Å; D610-R614 PolarHBondContact OD1-NH2 3.22Å; D610-R614 IonicContact OD2-CZ 2.86Å; D610-R614 IonicContact OD2-NE 2.77Å; D610-R614 PolarHBondContact OD2-NE 3Å; D610-R614 IonicContact OD2-NH2 3.2Å; R614-R617 PolarHBondContact O-NE 3.35Å; R614-R617 PolarHBondContact O-NH1 2.84Å; R614-V1014 HydrophobicContact CB-CG1 3.61Å; R614-V1014 HydrophobicContact CG-CG1 4.15Å; R614-V1014 VanDerWaalsContact NH2-CG2 3.28Å
615	F	92.1	Very high	94.1	Very high	59 Å²	59	16.8 Å²	16.8	26%	0.259	9%	0.088	S	C	.	.	I	π-helix	trans	-110.2	-44.5	-168.8	-63.7	-67.2	0	0	0	112.4	T511 R578 V611 R617	T511-F615 HydrophobicContact CG2-CB 4.16Å; T511-F615 PolarHBondContact OG1-O 3.32Å; R578-F615 VanDerWaalsContact NH2-CD2 3.32Å; V611-F615 HydrophobicContact CB-CD2 4.34Å; V611-F615 HydrophobicContact CG1-CB 4.34Å; V611-F615 HydrophobicContact CG1-CD2 4.13Å; V611-F615 HydrophobicContact CG2-CD2 4.1Å; V611-F615 HydrophobicContact CG2-CE2 4.47Å; V611-F615 PolarHBondContact O-N 3.12Å; F615-R617 VanDerWaalsContact C-N 3.3Å
616	L	95.1	Very high	94.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	I	π-helix	trans	-83.9	-10.2	-179.1	-53.5	-179	0	0	0	112.9	R578 R580 V611 A612 E618 F1036 F1037	R578-L616 HydrophobicContact CB-CD2 4.3Å; R578-L616 WeakPolarHBondContact O-CD1 3.38Å; R578-L616 VanDerWaalsContact O-CD2 3.3Å; R578-L616 WeakPolarHBondContact O-CD2 3.25Å; R580-L616 HydrophobicContact CG-CB 4.48Å; R580-L616 HydrophobicContact CG-CD1 4.09Å; R580-L616 HydrophobicContact CG-CD2 3.97Å; R580-L616 HydrophobicContact CG-CG 4.4Å; V611-L616 HydrophobicContact CG1-CD1 4.36Å; V611-L616 HydrophobicContact CG1-CG 4.24Å; V611-L616 PolarHBondContact O-N 2.92Å; A612-L616 CarbonylContact O-C 3.5Å; A612-L616 PolarHBondContact O-N 3.48Å; L616-E618 HydrophobicContact CB-CG 3.73Å; L616-E618 PolarHBondContact O-N 2.72Å; L616-F1036 HydrophobicContact CD2-CE1 4.48Å; L616-F1036 WeakPolarHBondContact O-CE2 3.46Å; L616-F1036 WeakPolarHBondContact O-CZ 3.42Å; L616-F1037 HydrophobicContact CD2-CE1 4.24Å; L616-F1037 HydrophobicContact CD2-CZ 4.15Å
617	R	95	Very high	94.7	Very high	48 Å²	48	17.4 Å²	17.4	18%	0.181	8%	0.084	C	C	.	.			trans	50.1	39.1	-179.8	-57.6	-60.1	-170.8	-172.8	2.1	112.8	A612 L613 R614 F615 E1017 F1018 F1021 V1028	A612-R617 WeakPolarHBondContact O-CA 3.42Å; A612-R617 PolarHBondContact O-N 2.91Å; L613-R617 WeakPolarHBondContact O-CD 3.39Å; L613-R617 PolarHBondContact O-NH1 2.86Å; R614-R617 PolarHBondContact O-NE 3.35Å; R614-R617 PolarHBondContact O-NH1 2.84Å; F615-R617 VanDerWaalsContact C-N 3.3Å; R617-E1017 IonicContact NH1-OE2 3.29Å; R617-E1017 IonicContact NH2-OE2 3.27Å; R617-E1017 PolarHBondContact NH2-OE2 3.35Å; R617-F1018 WeakPolarHBondContact O-CE2 3.39Å; R617-F1021 HydrophobicContact CB-CD1 3.71Å; R617-F1021 HydrophobicContact CB-CE1 3.6Å; R617-F1021 HydrophobicContact CB-CG 4.34Å; R617-F1021 HydrophobicContact CB-CZ 4.12Å; R617-F1021 HydrophobicContact CG-CD1 3.88Å; R617-F1021 HydrophobicContact CG-CD2 4.07Å; R617-F1021 HydrophobicContact CG-CE1 3.8Å; R617-F1021 HydrophobicContact CG-CE2 3.96Å; R617-F1021 HydrophobicContact CG-CG 4.04Å; R617-F1021 HydrophobicContact CG-CZ 3.84Å; R617-V1028 HydrophobicContact CB-CG2 4Å
618	E	95.2	Very high	95.1	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	8%	0.08	C	C	.	.	S	Bend	trans	-124.5	153.9	177.7	57.2	173	-120	0	0	110.9	T581 A612 L616 R623 D1029	T581-E618 WeakPolarHBondContact CB-OE1 3.39Å; T581-E618 PolarHBondContact N-OE1 2.76Å; T581-E618 PolarHBondContact N-OE2 2.67Å; T581-E618 VanDerWaalsContact N-OE2 3.11Å; T581-E618 PolarHBondContact OG1-OE1 3.3Å; A612-E618 CarbonylContact C-O 3.56Å; A612-E618 HydrophobicContact CB-CG 4.23Å; A612-E618 PolarHBondContact O-N 2.83Å; A612-E618 VanDerWaalsContact O-O 3.12Å; L616-E618 HydrophobicContact CB-CG 3.73Å; L616-E618 PolarHBondContact O-N 2.72Å; E618-R623 IonicContact OE1-CZ 2.85Å; E618-R623 IonicContact OE1-NE 3.78Å; E618-R623 PolarHBondContact OE1-NE 2.97Å; E618-R623 IonicContact OE1-NH2 3.11Å; E618-R623 PolarHBondContact OE1-NH2 2.9Å; E618-D1029 HydrophobicContact CB-CB 3.74Å
619	C	94.9	Very high	95.1	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.061	11%	0.109	C	C	.	.			trans	-82.8	122.1	-178.7	-172	0	0	0	0	110.5	W621 S622 R623 F1018	C619-W621 PolarHBondContact O-N 2.81Å; C619-S622 PolarHBondContact O-N 2.68Å; C619-S622 VanDerWaalsContact O-N 3.11Å; C619-R623 PolarHBondContact O-N 3.35Å; C619-R623 VanDerWaalsContact O-N 3.08Å; C619-F1018 HydrophobicContact CB-CE1 4.44Å; C619-F1018 HydrophobicContact CB-CZ 3.95Å
620	P	96.5	Very high	95.2	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-28.9	178.5	25.7	-33.3	0	0	0	112.1	W604 F609 A612 L613 R623 L624	W604-P620 HydrophobicContact CZ2-CB 4.05Å; W604-P620 WeakPolarHBondContact CZ2-O 3.37Å; W604-P620 PolarHBondContact NE1-O 2.94Å; F609-P620 HydrophobicContact CD1-CG 4.3Å; F609-P620 HydrophobicContact CD2-CB 3.9Å; F609-P620 HydrophobicContact CD2-CG 3.62Å; F609-P620 HydrophobicContact CE1-CG 4.39Å; F609-P620 HydrophobicContact CE2-CB 4.34Å; F609-P620 HydrophobicContact CE2-CG 3.72Å; F609-P620 HydrophobicContact CG-CB 4.35Å; F609-P620 HydrophobicContact CG-CG 3.94Å; F609-P620 HydrophobicContact CZ-CG 4.12Å; A612-P620 HydrophobicContact CB-CB 3.98Å; A612-P620 HydrophobicContact CB-CG 4.34Å; L613-P620 HydrophobicContact CD2-CG 4.45Å; L613-P620 HydrophobicContact CG-CG 4.2Å; P620-R623 VanDerWaalsContact O-CB 3.31Å; P620-R623 WeakPolarHBondContact O-CB 3.44Å; P620-R623 PolarHBondContact O-N 2.93Å; P620-L624 PolarHBondContact O-N 2.76Å
621	W	96.7	Very high	95.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-42.3	173.5	-59.9	95.9	0	0	0	111.7	W604 F609 C619 R623 L624 E625 F659 Q662 A663 Y666 V1003 I1006 S1007	W604-W621 AromaticContact CH2-CD2 3.74Å; W604-W621 HydrophobicContact CH2-CD2 3.74Å; W604-W621 AromaticContact CH2-CE2 3.87Å; W604-W621 AromaticContact CH2-CE3 3.64Å; W604-W621 HydrophobicContact CH2-CE3 3.64Å; W604-W621 HydrophobicContact CH2-CG 4.5Å; W604-W621 AromaticContact CH2-CH2 3.79Å; W604-W621 HydrophobicContact CH2-CH2 3.79Å; W604-W621 AromaticContact CH2-CZ2 3.89Å; W604-W621 HydrophobicContact CH2-CZ2 3.89Å; W604-W621 AromaticContact CH2-CZ3 3.67Å; W604-W621 HydrophobicContact CH2-CZ3 3.67Å; W604-W621 HydrophobicContact CZ2-CD2 4.06Å; W604-W621 HydrophobicContact CZ2-CE3 4.14Å; W604-W621 HydrophobicContact CZ2-CG 4.38Å; W604-W621 HydrophobicContact CZ3-CH2 4.3Å; W604-W621 HydrophobicContact CZ3-CZ3 4.32Å; F609-W621 AromaticContact CE2-CE2 3.72Å; F609-W621 AromaticContact CE2-CZ2 3.89Å; F609-W621 HydrophobicContact CE2-CZ2 3.89Å; F609-W621 AromaticContact CE2-NE1 3.43Å; F609-W621 HydrophobicContact CZ-CZ2 4.22Å; F609-W621 AromaticContact CZ-NE1 3.44Å; C619-W621 PolarHBondContact O-N 2.81Å; W621-R623 VanDerWaalsContact C-N 3.28Å; W621-R623 PolarHBondContact O-N 3.02Å; W621-L624 HydrophobicContact CE3-CD2 4.42Å; W621-L624 WeakPolarHBondContact O-CA 3.33Å; W621-L624 WeakPolarHBondContact O-CB 3.43Å; W621-L624 PolarHBondContact O-N 2.81Å; W621-E625 VanDerWaalsContact C-OE2 3.24Å; W621-E625 VanDerWaalsContact O-CG 3.28Å; W621-E625 WeakPolarHBondContact O-CG 3.48Å; W621-E625 PolarHBondContact O-N 2.9Å; W621-F659 HydrophobicContact CH2-CD2 4.14Å; W621-F659 HydrophobicContact CH2-CE2 4.01Å; W621-F659 AromaticContact CZ2-CD2 3.96Å; W621-F659 HydrophobicContact CZ2-CD2 3.96Å; W621-F659 AromaticContact CZ2-CE2 3.76Å; W621-F659 HydrophobicContact CZ2-CE2 3.76Å; W621-Q662 HydrophobicContact CH2-CB 3.8Å; W621-Q662 HydrophobicContact CZ3-CB 3.91Å; W621-A663 HydrophobicContact CH2-CB 4.49Å; W621-Y666 AromaticContact CE3-CD2 3.93Å; W621-Y666 HydrophobicContact CE3-CD2 3.93Å; W621-Y666 HydrophobicContact CE3-CG 4.11Å; W621-Y666 HydrophobicContact CZ3-CD2 4.01Å; W621-Y666 HydrophobicContact CZ3-CG 4.46Å; W621-V1003 HydrophobicContact CB-CB 4.23Å; W621-V1003 HydrophobicContact CB-CG2 4Å; W621-V1003 HydrophobicContact CD2-CB 3.63Å; W621-V1003 HydrophobicContact CD2-CG1 3.61Å; W621-V1003 HydrophobicContact CD2-CG2 4.38Å; W621-V1003 HydrophobicContact CE3-CB 4.2Å; W621-V1003 HydrophobicContact CE3-CG1 3.63Å; W621-V1003 HydrophobicContact CG-CB 3.61Å; W621-V1003 HydrophobicContact CG-CG1 4.01Å; W621-V1003 HydrophobicContact CG-CG2 3.89Å; W621-V1003 HydrophobicContact CH2-CG1 4.49Å; W621-V1003 HydrophobicContact CZ2-CG1 4.47Å; W621-V1003 HydrophobicContact CZ3-CG1 4.08Å; W621-V1003 PolarHBondContact NE1-O 2.9Å; W621-I1006 HydrophobicContact CH2-CG2 4.25Å; W621-I1006 HydrophobicContact CZ2-CG2 3.46Å; W621-I1006 VanDerWaalsContact CZ2-CG2 3.46Å; W621-S1007 PolarHBondContact NE1-OG 2.75Å
622	S	94.7	Very high	95.7	Very high	32 Å²	32	28.5 Å²	28.5	22%	0.224	14%	0.136	C	C	.	.	H	α-helix	trans	-66.9	-29.1	174.2	-55.6	0	0	0	0	112.7	C619 E625 E626 R1001	C619-S622 PolarHBondContact O-N 2.68Å; C619-S622 VanDerWaalsContact O-N 3.11Å; S622-E625 VanDerWaalsContact CA-OE2 3.25Å; S622-E625 WeakPolarHBondContact CA-OE2 2.92Å; S622-E625 PolarHBondContact N-OE2 3.02Å; S622-E625 PolarHBondContact OG-OE2 3.5Å; S622-E626 VanDerWaalsContact O-CB 3.29Å; S622-E626 WeakPolarHBondContact O-CB 3.12Å; S622-E626 WeakPolarHBondContact O-CG 3.46Å; S622-E626 PolarHBondContact O-N 2.79Å; S622-R1001 PolarHBondContact OG-NH2 3.3Å
623	R	97	Very high	95.7	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.015	14%	0.136	C	C	.	.	H	α-helix	trans	-59.7	-50.7	166.1	-173.6	-176.4	-68.7	-148.9	0.8	111.1	V579 T581 E618 C619 P620 W621 L627	V579-R623 VanDerWaalsContact O-CZ 3.3Å; V579-R623 PolarHBondContact O-NH1 3.27Å; V579-R623 PolarHBondContact O-NH2 3.42Å; T581-R623 HydrophobicContact CG2-CB 4.24Å; T581-R623 HydrophobicContact CG2-CG 4.2Å; T581-R623 WeakPolarHBondContact OG1-CB 3.42Å; T581-R623 VanDerWaalsContact OG1-CG 3.28Å; T581-R623 WeakPolarHBondContact OG1-CG 3.15Å; T581-R623 PolarHBondContact OG1-NE 3.39Å; T581-R623 VanDerWaalsContact OG1-NE 3.11Å; E618-R623 IonicContact OE1-CZ 2.85Å; E618-R623 IonicContact OE1-NE 3.78Å; E618-R623 PolarHBondContact OE1-NE 2.97Å; E618-R623 IonicContact OE1-NH2 3.11Å; E618-R623 PolarHBondContact OE1-NH2 2.9Å; C619-R623 PolarHBondContact O-N 3.35Å; C619-R623 VanDerWaalsContact O-N 3.08Å; P620-R623 VanDerWaalsContact O-CB 3.31Å; P620-R623 WeakPolarHBondContact O-CB 3.44Å; P620-R623 PolarHBondContact O-N 2.93Å; W621-R623 VanDerWaalsContact C-N 3.28Å; W621-R623 PolarHBondContact O-N 3.02Å; R623-L627 HydrophobicContact CG-CD1 3.6Å; R623-L627 HydrophobicContact CG-CG 4.17Å; R623-L627 VanDerWaalsContact O-CB 3.3Å; R623-L627 WeakPolarHBondContact O-CB 3.41Å; R623-L627 WeakPolarHBondContact O-CG 3.34Å; R623-L627 PolarHBondContact O-N 3.04Å
624	L	97.4	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-48.9	178.8	172	57.9	0	0	0	111.5	M603 W604 P620 W621 R628 F636 I668	M603-L624 HydrophobicContact CE-CD1 3.56Å; M603-L624 HydrophobicContact SD-CD1 4.41Å; W604-L624 HydrophobicContact CD2-CD2 4.45Å; W604-L624 HydrophobicContact CE3-CD2 4.47Å; W604-L624 HydrophobicContact CH2-CD2 4.08Å; W604-L624 HydrophobicContact CZ2-CB 4.05Å; W604-L624 HydrophobicContact CZ2-CD2 4.05Å; W604-L624 HydrophobicContact CZ3-CD2 4.29Å; P620-L624 PolarHBondContact O-N 2.76Å; W621-L624 HydrophobicContact CE3-CD2 4.42Å; W621-L624 WeakPolarHBondContact O-CA 3.33Å; W621-L624 WeakPolarHBondContact O-CB 3.43Å; W621-L624 PolarHBondContact O-N 2.81Å; L624-R628 WeakPolarHBondContact O-CB 3.28Å; L624-R628 PolarHBondContact O-N 3.33Å; L624-F636 HydrophobicContact CD1-CD2 3.82Å; L624-F636 HydrophobicContact CD1-CE2 4.29Å; L624-I668 HydrophobicContact CD1-CD1 3.84Å; L624-I668 HydrophobicContact CD1-CG1 4.44Å; L624-I668 HydrophobicContact CD2-CD1 4.21Å; L624-I668 HydrophobicContact CD2-CG1 4.13Å
625	E	96	Very high	96.2	Very high	59 Å²	59	25 Å²	25	28%	0.276	12%	0.122	S	C	.	.	H	α-helix	trans	-57.6	-56	177.3	-68.9	166.5	109.2	0	0	111.8	W621 S622 L627 R628 E629 Y666 R1001	W621-E625 VanDerWaalsContact C-OE2 3.24Å; W621-E625 VanDerWaalsContact O-CG 3.28Å; W621-E625 WeakPolarHBondContact O-CG 3.48Å; W621-E625 PolarHBondContact O-N 2.9Å; S622-E625 VanDerWaalsContact CA-OE2 3.25Å; S622-E625 WeakPolarHBondContact CA-OE2 2.92Å; S622-E625 PolarHBondContact N-OE2 3.02Å; S622-E625 PolarHBondContact OG-OE2 3.5Å; E625-L627 PolarHBondContact O-N 3.02Å; E625-R628 PolarHBondContact O-N 2.84Å; E625-E629 PolarHBondContact O-N 3.2Å; E625-E629 VanDerWaalsContact O-N 3.09Å; E625-Y666 HydrophobicContact CG-CD1 3.65Å; E625-Y666 HydrophobicContact CG-CE1 4.22Å; E625-Y666 WeakPolarHBondContact OE1-CE1 3.47Å; E625-R1001 IonicContact OE1-CZ 3.92Å; E625-R1001 IonicContact OE1-NH1 2.88Å; E625-R1001 PolarHBondContact OE1-NH1 2.83Å; E625-R1001 IonicContact OE2-CZ 3.3Å; E625-R1001 VanDerWaalsContact OE2-CZ 3.28Å; E625-R1001 IonicContact OE2-NH1 2.63Å; E625-R1001 PolarHBondContact OE2-NH1 3.4Å; E625-R1001 IonicContact OE2-NH2 3.43Å; E625-R1001 PolarHBondContact OE2-NH2 2.84Å
626	E	94.9	Very high	96.5	Very high	36 Å²	36	22.2 Å²	22.2	17%	0.168	11%	0.11	C	C	.	.	H	α-helix	trans	-70.2	-33	-174.8	-70.1	-174.3	-135.5	0	0	112.9	K585 S622 Q630 K1030	K585-E626 HydrophobicContact CD-CB 4.19Å; K585-E626 WeakPolarHBondContact CD-OE2 3.38Å; K585-E626 WeakPolarHBondContact CE-OE2 3.33Å; K585-E626 IonicContact NZ-OE2 2.84Å; K585-E626 PolarHBondContact NZ-OE2 2.97Å; S622-E626 VanDerWaalsContact O-CB 3.29Å; S622-E626 WeakPolarHBondContact O-CB 3.12Å; S622-E626 WeakPolarHBondContact O-CG 3.46Å; S622-E626 PolarHBondContact O-N 2.79Å; E626-Q630 WeakPolarHBondContact O-CG 3.43Å; E626-K1030 VanDerWaalsContact CD-NZ 3.32Å; E626-K1030 IonicContact OE1-NZ 3.78Å; E626-K1030 PolarHBondContact OE1-NZ 2.71Å; E626-K1030 IonicContact OE2-NZ 2.66Å; E626-K1030 PolarHBondContact OE2-NZ 2.97Å; E626-K1030 VanDerWaalsContact OE2-NZ 3.15Å
627	L	97.4	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-74.3	-30.5	173.9	-62	178.6	0	0	0	111.9	F567 L584 K585 S588 M603 R623 E625 Q630 I631 F636	F567-L627 HydrophobicContact CD2-CD1 4.08Å; F567-L627 HydrophobicContact CE2-CD1 4.28Å; F567-L627 HydrophobicContact CE2-CD2 4.32Å; L584-L627 HydrophobicContact CB-CD1 4.27Å; L584-L627 HydrophobicContact CB-CD2 3.79Å; L584-L627 HydrophobicContact CD1-CD1 4.31Å; K585-L627 HydrophobicContact CB-CD2 4.17Å; S588-L627 WeakPolarHBondContact OG-CD2 3.35Å; M603-L627 HydrophobicContact SD-CD1 4.47Å; R623-L627 HydrophobicContact CG-CD1 3.6Å; R623-L627 HydrophobicContact CG-CG 4.17Å; R623-L627 VanDerWaalsContact O-CB 3.3Å; R623-L627 WeakPolarHBondContact O-CB 3.41Å; R623-L627 WeakPolarHBondContact O-CG 3.34Å; R623-L627 PolarHBondContact O-N 3.04Å; E625-L627 PolarHBondContact O-N 3.02Å; L627-Q630 PolarHBondContact O-N 3.34Å; L627-I631 PolarHBondContact O-N 3.33Å; L627-F636 HydrophobicContact CB-CE2 4.01Å; L627-F636 HydrophobicContact CB-CZ 3.72Å
628	R	97.3	Very high	96.8	Very high	25 Å²	25	20 Å²	20	9%	0.094	10%	0.101	C	C	.	.	H	α-helix	trans	-75.2	-31.6	179.4	-177	43.2	41.9	-178.9	-13	112.9	R539 L624 E625 Q630 I631 I634 F636	R539-R628 VanDerWaalsContact NH1-NH1 3.19Å; L624-R628 WeakPolarHBondContact O-CB 3.28Å; L624-R628 PolarHBondContact O-N 3.33Å; E625-R628 PolarHBondContact O-N 2.84Å; R628-Q630 VanDerWaalsContact C-N 3.3Å; R628-Q630 PolarHBondContact O-N 2.97Å; R628-I631 PolarHBondContact NE-O 3.45Å; R628-I631 PolarHBondContact NH1-O 3.45Å; R628-I631 PolarHBondContact NH2-O 3.18Å; R628-I631 VanDerWaalsContact NH2-O 3.14Å; R628-I631 CarbonylContact O-C 3.53Å; R628-I634 VanDerWaalsContact CZ-O 3.32Å; R628-I634 PolarHBondContact NH1-O 3.45Å; R628-I634 PolarHBondContact NH2-O 2.97Å; R628-F636 HydrophobicContact CB-CD2 4.27Å; R628-F636 HydrophobicContact CB-CE2 3.77Å; R628-F636 VanDerWaalsContact NE-CE2 3.3Å; R628-F636 VanDerWaalsContact NH2-CE2 3.31Å; R628-F636 VanDerWaalsContact NH2-CZ 3.29Å
629	E	95.6	Very high	96.8	Very high	133 Å²	133	20.3 Å²	20.3	62%	0.621	10%	0.103	S	C	*	.	H	α-helix	trans	-58.6	-43.4	168.1	-173	-168.5	-147	0	0	111.4	E625	E625-E629 PolarHBondContact O-N 3.2Å; E625-E629 VanDerWaalsContact O-N 3.09Å
630	Q	95.5	Very high	96.8	Very high	59 Å²	59	19.9 Å²	19.9	28%	0.276	10%	0.1	S	C	.	.	H	α-helix	trans	-82.2	-23.6	-175.3	-56.7	-54	-52.3	0	0	114	K585 P589 E626 L627 R628 P632	K585-Q630 HydrophobicContact CG-CG 4.24Å; P589-Q630 HydrophobicContact CG-CB 4.36Å; E626-Q630 WeakPolarHBondContact O-CG 3.43Å; L627-Q630 PolarHBondContact O-N 3.34Å; R628-Q630 VanDerWaalsContact C-N 3.3Å; R628-Q630 PolarHBondContact O-N 2.97Å; Q630-P632 WeakPolarHBondContact O-CD 3.42Å
631	I	97.6	Very high	96.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.			trans	-123.4	77.6	179.9	-54.1	156.1	0	0	0	109.5	F567 S588 A592 L601 L627 R628 N633 I634 F636	F567-I631 HydrophobicContact CE2-CD1 4.15Å; S588-I631 WeakPolarHBondContact OG-CD1 3.47Å; A592-I631 HydrophobicContact CB-CB 4.23Å; A592-I631 HydrophobicContact CB-CG1 4.1Å; A592-I631 HydrophobicContact CB-CG2 4.06Å; L601-I631 HydrophobicContact CD1-CD1 4Å; L601-I631 HydrophobicContact CD1-CG2 4.03Å; L627-I631 PolarHBondContact O-N 3.33Å; R628-I631 PolarHBondContact NE-O 3.45Å; R628-I631 PolarHBondContact NH1-O 3.45Å; R628-I631 PolarHBondContact NH2-O 3.18Å; R628-I631 VanDerWaalsContact NH2-O 3.14Å; R628-I631 CarbonylContact O-C 3.53Å; I631-N633 PolarHBondContact O-N 2.97Å; I631-I634 HydrophobicContact CG2-CB 3.83Å; I631-I634 HydrophobicContact CG2-CD1 4.09Å; I631-I634 HydrophobicContact CG2-CG1 4.19Å; I631-F636 HydrophobicContact CB-CE1 4.45Å; I631-F636 HydrophobicContact CB-CZ 4.3Å; I631-F636 HydrophobicContact CD1-CE1 4.02Å; I631-F636 HydrophobicContact CD1-CZ 3.99Å
632	P	96.7	Very high	95.9	Very high	56 Å²	56	20.6 Å²	20.6	36%	0.364	10%	0.103	S	C	.	.	S	Bend	trans	-78.9	-14.7	-175.5	31	-37.2	0	0	0	114.6	L534 Q630	L534-P632 HydrophobicContact CD1-CG 4.37Å; L534-P632 HydrophobicContact CD2-CG 3.75Å; Q630-P632 WeakPolarHBondContact O-CD 3.42Å
633	N	97.4	Very high	95.3	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.016	9%	0.093	C	C	.	.	S	Bend	trans	-112.2	-24.1	-162.9	62.5	-23.9	0	0	0	115.9	R535 G537 W538 R539 A592 I631	R535-N633 WeakPolarHBondContact O-CB 3.27Å; R535-N633 PolarHBondContact O-ND2 2.93Å; G537-N633 CarbonylContact C-O 3.27Å; G537-N633 VanDerWaalsContact C-O 3.25Å; G537-N633 WeakPolarHBondContact CA-O 3.28Å; W538-N633 PolarHBondContact N-O 3.15Å; R539-N633 VanDerWaalsContact CB-O 3.27Å; R539-N633 WeakPolarHBondContact CB-O 3.45Å; R539-N633 PolarHBondContact N-O 3.4Å; A592-N633 PolarHBondContact O-ND2 3.41Å; I631-N633 PolarHBondContact O-N 2.97Å
634	I	98	Very high	94.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-91.7	136.2	174.8	-58.4	167	0	0	0	108.7	V591 L595 L598 L601 R628 I631	V591-I634 HydrophobicContact CG1-CD1 4.14Å; L595-I634 WeakPolarHBondContact O-CD1 3.19Å; L598-I634 HydrophobicContact CB-CG2 4.05Å; L598-I634 HydrophobicContact CD1-CD1 4.35Å; L601-I634 HydrophobicContact CB-CG2 4.42Å; L601-I634 HydrophobicContact CD1-CB 4.14Å; L601-I634 HydrophobicContact CD1-CD1 3.89Å; L601-I634 HydrophobicContact CD1-CG2 3.85Å; L601-I634 HydrophobicContact CG-CG2 4.05Å; R628-I634 VanDerWaalsContact CZ-O 3.32Å; R628-I634 PolarHBondContact NH1-O 3.45Å; R628-I634 PolarHBondContact NH2-O 2.97Å; I631-I634 HydrophobicContact CG2-CB 3.83Å; I631-I634 HydrophobicContact CG2-CD1 4.09Å; I631-I634 HydrophobicContact CG2-CG1 4.19Å
635	P	98.5	Very high	94.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-60.8	144.2	175.2	-26.6	37.4	0	0	0	112.8	W538 R539 F550 F599 S600 L601 D669 V670	W538-P635 HydrophobicContact CB-CG 3.69Å; R539-P635 HydrophobicContact CB-CG 4.04Å; F550-P635 HydrophobicContact CE2-CG 4.29Å; F550-P635 HydrophobicContact CZ-CG 4.18Å; F599-P635 WeakPolarHBondContact O-CB 3.21Å; F599-P635 WeakPolarHBondContact O-CD 3.33Å; F599-P635 WeakPolarHBondContact O-CG 3.46Å; S600-P635 WeakPolarHBondContact CA-O 3.4Å; L601-P635 PolarHBondContact N-O 3.34Å; P635-D669 VanDerWaalsContact CA-OD2 3.3Å; P635-D669 WeakPolarHBondContact CA-OD2 3.46Å; P635-D669 HydrophobicContact CB-CB 4.07Å; P635-V670 HydrophobicContact CB-CG2 4.29Å
636	F	98.7	Very high	94	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.9	171.5	-90.1	-11.5	0	0	0	111.9	L601 M603 L624 L627 R628 I631 D669 V670	L601-F636 HydrophobicContact CB-CD1 3.96Å; L601-F636 HydrophobicContact CB-CE1 4.07Å; L601-F636 HydrophobicContact CD1-CE1 4.33Å; M603-F636 HydrophobicContact CE-CB 3.55Å; M603-F636 HydrophobicContact CE-CD1 4.08Å; M603-F636 HydrophobicContact CE-CD2 3.42Å; M603-F636 VanDerWaalsContact CE-CD2 3.42Å; M603-F636 HydrophobicContact CE-CE2 4.09Å; M603-F636 HydrophobicContact CE-CG 3.41Å; M603-F636 VanDerWaalsContact CE-CG 3.41Å; M603-F636 HydrophobicContact CG-CD1 3.44Å; M603-F636 VanDerWaalsContact CG-CD1 3.44Å; M603-F636 HydrophobicContact CG-CD2 4.21Å; M603-F636 HydrophobicContact CG-CE1 3.59Å; M603-F636 HydrophobicContact CG-CE2 4.28Å; M603-F636 HydrophobicContact CG-CG 3.81Å; M603-F636 HydrophobicContact CG-CZ 4.02Å; M603-F636 HydrophobicContact SD-CD1 4.31Å; M603-F636 HydrophobicContact SD-CD2 4Å; M603-F636 HydrophobicContact SD-CE1 4.44Å; M603-F636 HydrophobicContact SD-CE2 4.08Å; M603-F636 HydrophobicContact SD-CG 4.12Å; M603-F636 HydrophobicContact SD-CZ 4.33Å; L624-F636 HydrophobicContact CD1-CD2 3.82Å; L624-F636 HydrophobicContact CD1-CE2 4.29Å; L627-F636 HydrophobicContact CB-CE2 4.01Å; L627-F636 HydrophobicContact CB-CZ 3.72Å; R628-F636 HydrophobicContact CB-CD2 4.27Å; R628-F636 HydrophobicContact CB-CE2 3.77Å; R628-F636 VanDerWaalsContact NE-CE2 3.3Å; R628-F636 VanDerWaalsContact NH2-CE2 3.31Å; R628-F636 VanDerWaalsContact NH2-CZ 3.29Å; I631-F636 HydrophobicContact CB-CE1 4.45Å; I631-F636 HydrophobicContact CB-CZ 4.3Å; I631-F636 HydrophobicContact CD1-CE1 4.02Å; I631-F636 HydrophobicContact CD1-CZ 3.99Å; F636-D669 PolarHBondContact N-OD2 3.16Å; F636-D669 PolarHBondContact O-N 2.81Å; F636-V670 PolarHBondContact O-N 3.44Å
637	Q	98.6	Very high	93.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	144.1	177.9	-174.6	178.1	-74.1	0	0	110.8	S600 L601 E602 M603 V670 R672 H766	S600-Q637 VanDerWaalsContact OG-CB 3.3Å; S600-Q637 WeakPolarHBondContact OG-CB 3.42Å; S600-Q637 PolarHBondContact OG-OE1 3.5Å; S600-Q637 VanDerWaalsContact OG-OE1 3.12Å; L601-Q637 PolarHBondContact O-N 3.26Å; E602-Q637 WeakPolarHBondContact CA-O 3.36Å; E602-Q637 HydrophobicContact CB-CB 4.19Å; E602-Q637 HydrophobicContact CB-CG 4.42Å; E602-Q637 HydrophobicContact CG-CB 4.17Å; E602-Q637 HydrophobicContact CG-CG 4.04Å; E602-Q637 PolarHBondContact OE1-NE2 3.27Å; M603-Q637 PolarHBondContact N-O 2.78Å; Q637-V670 VanDerWaalsContact CA-O 3.31Å; Q637-V670 WeakPolarHBondContact CA-O 3.49Å; Q637-V670 HydrophobicContact CB-CB 4.04Å; Q637-V670 HydrophobicContact CG-CB 4.01Å; Q637-V670 HydrophobicContact CG-CG1 4.07Å; Q637-R672 VanDerWaalsContact NE2-NH1 3.18Å; Q637-H766 PolarHBondContact OE1-CE1 3.41Å
638	M	98	Very high	92.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.8	169.1	74.6	165.9	-68.9	0	0	112.7	W604 L640 V646 F659 A663 I668 V670 F671 R672	W604-M638 HydrophobicContact CB-CB 3.89Å; W604-M638 HydrophobicContact CE3-CE 4.27Å; W604-M638 HydrophobicContact CE3-SD 4.02Å; W604-M638 HydrophobicContact CZ3-SD 4.46Å; W604-M638 VanDerWaalsContact O-CA 3.27Å; W604-M638 WeakPolarHBondContact O-CA 3.34Å; W604-M638 WeakPolarHBondContact O-CB 3.41Å; M638-L640 HydrophobicContact CE-CB 4.22Å; M638-L640 HydrophobicContact CE-CD1 3.65Å; M638-L640 HydrophobicContact SD-CD1 4.3Å; M638-V646 HydrophobicContact CE-CG1 3.56Å; M638-F659 HydrophobicContact CE-CE1 3.78Å; M638-F659 HydrophobicContact CE-CZ 4.01Å; M638-F659 HydrophobicContact SD-CE1 4.1Å; M638-A663 HydrophobicContact SD-CB 4.35Å; M638-I668 HydrophobicContact CB-CD1 4.07Å; M638-I668 HydrophobicContact CG-CD1 4.36Å; M638-I668 HydrophobicContact CG-CG1 4.37Å; M638-I668 HydrophobicContact CG-CG2 3.89Å; M638-I668 HydrophobicContact SD-CD1 4.45Å; M638-I668 HydrophobicContact SD-CG1 4.07Å; M638-I668 HydrophobicContact SD-CG2 4.32Å; M638-V670 PolarHBondContact N-O 3.12Å; M638-F671 HydrophobicContact CG-CD1 3.99Å; M638-F671 HydrophobicContact CG-CE1 4.39Å; M638-F671 HydrophobicContact SD-CD1 3.86Å; M638-F671 HydrophobicContact SD-CE1 3.8Å; M638-R672 WeakPolarHBondContact O-CB 3.44Å; M638-R672 PolarHBondContact O-N 2.92Å
639	L	96	Very high	91.2	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.047	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.7	169.7	-175.7	71.5	0	0	0	110.5	W604 G605 G606 R672 F674 K738	W604-L639 PolarHBondContact O-N 2.68Å; G605-L639 WeakPolarHBondContact CA-O 3.49Å; G606-L639 PolarHBondContact N-O 2.85Å; G606-L639 VanDerWaalsContact N-O 3.11Å; L639-R672 HydrophobicContact CD1-CB 4.34Å; L639-R672 HydrophobicContact CD1-CG 3.89Å; L639-F674 HydrophobicContact CD1-CD1 3.52Å; L639-F674 HydrophobicContact CD1-CE1 3.86Å; L639-F674 HydrophobicContact CD1-CG 4.32Å; L639-F674 HydrophobicContact CD2-CD1 4.45Å; L639-F674 HydrophobicContact CD2-CE1 3.96Å; L639-F674 HydrophobicContact CG-CD1 3.87Å; L639-F674 HydrophobicContact CG-CE1 3.69Å; L639-K738 HydrophobicContact CD1-CD 4.14Å
640	L	95	Very high	90.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.1	-176.3	-169.7	84.5	0	0	0	110.6	M638 A645 F659 F671 R672 V673 F674	M638-L640 HydrophobicContact CE-CB 4.22Å; M638-L640 HydrophobicContact CE-CD1 3.65Å; M638-L640 HydrophobicContact SD-CD1 4.3Å; L640-A645 HydrophobicContact CD1-CB 3.83Å; L640-F659 HydrophobicContact CD1-CD1 3.97Å; L640-F659 HydrophobicContact CD1-CE1 3.64Å; L640-F671 HydrophobicContact CD2-CD1 4.35Å; L640-R672 PolarHBondContact N-O 2.99Å; L640-V673 HydrophobicContact CD2-CG2 4.2Å; L640-V673 WeakPolarHBondContact O-CA 3.28Å; L640-F674 VanDerWaalsContact O-CD1 3.24Å; L640-F674 WeakPolarHBondContact O-CD1 3.45Å; L640-F674 PolarHBondContact O-N 2.64Å
641	R	90.8	Very high	90	Very high	17 Å²	17	15.9 Å²	15.9	6%	0.064	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	119.5	170	-169.9	167.5	69.7	-107.2	-6.8	109.7	T643 N644 A645 G647 F674 T905	R641-T643 PolarHBondContact O-N 3.27Å; R641-T643 VanDerWaalsContact O-N 3.13Å; R641-N644 PolarHBondContact NH2-ND2 3.42Å; R641-N644 PolarHBondContact O-N 2.93Å; R641-A645 PolarHBondContact N-O 3.33Å; R641-A645 WeakPolarHBondContact O-CA 3.41Å; R641-A645 PolarHBondContact O-N 3.12Å; R641-G647 PolarHBondContact NH2-O 3.3Å; R641-F674 WeakPolarHBondContact CA-O 3.45Å; R641-F674 HydrophobicContact CB-CD1 4.39Å; R641-F674 HydrophobicContact CB-CE1 3.75Å; R641-F674 HydrophobicContact CB-CZ 3.92Å; R641-F674 HydrophobicContact CG-CE1 4.34Å; R641-F674 HydrophobicContact CG-CE2 4.43Å; R641-F674 HydrophobicContact CG-CZ 4.14Å; R641-T905 PolarHBondContact NH1-O 2.95Å
642	G	83.8	Confident	89.6	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-43.2	-162.5	0	0	0	0	0	116.4	F674 N682	G642-F674 PolarHBondContact N-O 3.3Å; G642-N682 CarbonylContact C-O 3.55Å; G642-N682 WeakPolarHBondContact CA-O 3.42Å
643	T	81.7	Confident	89.3	Confident	3 Å²	3	16.1 Å²	16.1	2%	0.018	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-15.4	178.2	31.7	0	0	0	0	116.4	R641 N682 R974	R641-T643 PolarHBondContact O-N 3.27Å; R641-T643 VanDerWaalsContact O-N 3.13Å; T643-N682 HydrophobicContact CG2-CB 3.79Å; T643-N682 WeakPolarHBondContact CG2-OD1 3.19Å; T643-R974 HydrophobicContact CG2-CG 3.65Å
644	N	83.8	Confident	89.1	Confident	9 Å²	9	18.2 Å²	18.2	5%	0.048	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-1.6	-165.8	-54.8	40.1	0	0	0	112.6	R641 V646 G647 Y648 S649 Y651	R641-N644 PolarHBondContact NH2-ND2 3.42Å; R641-N644 PolarHBondContact O-N 2.93Å; N644-V646 PolarHBondContact O-N 3.39Å; N644-G647 PolarHBondContact O-N 2.87Å; N644-Y648 PolarHBondContact ND2-O 3.19Å; N644-S649 WeakPolarHBondContact CB-O 3.4Å; N644-S649 PolarHBondContact ND2-O 2.89Å; N644-Y651 HydrophobicContact CB-CD2 4.44Å; N644-Y651 HydrophobicContact CB-CE2 4.23Å; N644-Y651 WeakPolarHBondContact O-CE2 3.43Å
645	A	88.8	Confident	88.9	Confident	2 Å²	2	18.2 Å²	18.2	2%	0.017	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	51.6	-94.6	-169.4	0	0	0	0	0	113	L640 R641 I656 F659 L1010	L640-A645 HydrophobicContact CD1-CB 3.83Å; R641-A645 PolarHBondContact N-O 3.33Å; R641-A645 WeakPolarHBondContact O-CA 3.41Å; R641-A645 PolarHBondContact O-N 3.12Å; A645-I656 HydrophobicContact CB-CD1 3.99Å; A645-F659 HydrophobicContact CB-CB 4.37Å; A645-F659 HydrophobicContact CB-CD1 3.62Å; A645-F659 HydrophobicContact CB-CE1 4.06Å; A645-F659 HydrophobicContact CB-CG 3.93Å; A645-L1010 HydrophobicContact CB-CD2 4.48Å
646	V	89.1	Confident	88.7	Confident	9 Å²	9	18.2 Å²	18.2	6%	0.055	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	7.9	177.5	-63.5	0	0	0	0	112.8	F609 M638 N644 F659 L1010 Y1011	F609-V646 HydrophobicContact CB-CB 4.05Å; F609-V646 HydrophobicContact CB-CG2 3.93Å; F609-V646 HydrophobicContact CD1-CG2 3.82Å; F609-V646 HydrophobicContact CD2-CG2 3.87Å; F609-V646 HydrophobicContact CE1-CG2 4.25Å; F609-V646 HydrophobicContact CE2-CG2 4.29Å; F609-V646 HydrophobicContact CG-CB 4.28Å; F609-V646 HydrophobicContact CG-CG2 3.61Å; F609-V646 HydrophobicContact CZ-CG2 4.45Å; M638-V646 HydrophobicContact CE-CG1 3.56Å; N644-V646 PolarHBondContact O-N 3.39Å; V646-F659 HydrophobicContact CB-CZ 4.37Å; V646-F659 HydrophobicContact CG1-CE1 4.14Å; V646-F659 HydrophobicContact CG1-CE2 4.45Å; V646-F659 HydrophobicContact CG1-CZ 3.67Å; V646-F659 HydrophobicContact CG2-CD2 4.46Å; V646-F659 HydrophobicContact CG2-CE2 3.66Å; V646-F659 HydrophobicContact CG2-CZ 3.74Å; V646-L1010 HydrophobicContact CG2-CD1 3.86Å; V646-Y1011 WeakPolarHBondContact O-CE2 3.34Å; V646-Y1011 PolarHBondContact O-OH 3.24Å
647	G	83.7	Confident	88.5	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	-90.1	-175.4	-177.1	0	0	0	0	0	115.4	R641 N644 Y651 Y1011	R641-G647 PolarHBondContact NH2-O 3.3Å; N644-G647 PolarHBondContact O-N 2.87Å; G647-Y651 WeakPolarHBondContact CA-OH 3.4Å; G647-Y1011 WeakPolarHBondContact CA-OH 3.48Å
648	Y	73.1	Confident	88.3	Confident	112 Å²	112	24.7 Å²	24.7	44%	0.439	12%	0.122	S	C	.	.	S	Bend	trans	-106.9	-43.1	176.5	-65.4	-59.9	0	0	0	113.4	D610 N644 Y651 T905 Y1011	D610-Y648 HydrophobicContact CB-CE2 4.43Å; N644-Y648 PolarHBondContact ND2-O 3.19Å; Y648-Y651 PolarHBondContact N-OH 2.76Å; Y648-T905 HydrophobicContact CE1-CG2 4.5Å; Y648-Y1011 AromaticContact CD2-CE1 3.63Å; Y648-Y1011 HydrophobicContact CD2-CE1 3.63Å; Y648-Y1011 AromaticContact CE2-CE1 3.74Å; Y648-Y1011 HydrophobicContact CE2-CE1 3.74Å; Y648-Y1011 WeakPolarHBondContact CE2-OH 3.4Å
649	S	74.2	Confident	88.2	Confident	76 Å²	76	24.7 Å²	24.7	53%	0.531	12%	0.122	S	C	.	.	S	Bend	trans	-73.9	162.5	172.6	-177	0	0	0	0	111.6	N644 Y651	N644-S649 WeakPolarHBondContact CB-O 3.4Å; N644-S649 PolarHBondContact ND2-O 2.89Å; S649-Y651 WeakPolarHBondContact O-CD2 3.45Å; S649-Y651 WeakPolarHBondContact O-CE2 3.18Å
650	S	80	Confident	88.2	Confident	12 Å²	12	24.3 Å²	24.3	8%	0.084	12%	0.12	C	C	.	.			trans	-66.1	150.9	155	-53.8	0	0	0	0	110	Y948	S650-Y948 PolarHBondContact OG-O 2.84Å
651	Y	85.9	Confident	88.3	Confident	24 Å²	24	28.4 Å²	28.4	9%	0.094	14%	0.139	C	C	.	.			trans	-126.8	163	174.7	-53.3	-84.6	0	0	0	110.2	N644 G647 Y648 S649 V655 I656 G976 L1010	N644-Y651 HydrophobicContact CB-CD2 4.44Å; N644-Y651 HydrophobicContact CB-CE2 4.23Å; N644-Y651 WeakPolarHBondContact O-CE2 3.43Å; G647-Y651 WeakPolarHBondContact CA-OH 3.4Å; Y648-Y651 PolarHBondContact N-OH 2.76Å; S649-Y651 WeakPolarHBondContact O-CD2 3.45Å; S649-Y651 WeakPolarHBondContact O-CE2 3.18Å; Y651-V655 HydrophobicContact CG-CG1 4.38Å; Y651-I656 HydrophobicContact CD2-CD1 4.31Å; Y651-G976 VanDerWaalsContact O-CA 3.27Å; Y651-G976 WeakPolarHBondContact O-CA 3.46Å; Y651-L1010 HydrophobicContact CD1-CD2 4.27Å; Y651-L1010 HydrophobicContact CD2-CD2 3.71Å; Y651-L1010 HydrophobicContact CE1-CD2 4.16Å; Y651-L1010 WeakPolarHBondContact CE1-O 3.34Å; Y651-L1010 HydrophobicContact CE2-CD2 3.6Å; Y651-L1010 HydrophobicContact CG-CD2 4.08Å; Y651-L1010 PolarHBondContact OH-O 2.71Å
652	P	89.3	Confident	88.5	Confident	13 Å²	13	28 Å²	28	8%	0.084	14%	0.138	C	C	.	.			trans	-61.9	147.9	168.2	-16.6	29.5	0	0	0	111	N654 V655 L979 P980 V982	P652-N654 PolarHBondContact O-N 3.08Å; P652-N654 VanDerWaalsContact O-N 3.12Å; P652-V655 WeakPolarHBondContact O-CB 3.18Å; P652-V655 PolarHBondContact O-N 2.74Å; P652-L979 HydrophobicContact CB-CB 4.28Å; P652-L979 HydrophobicContact CG-CB 3.77Å; P652-L979 HydrophobicContact CG-CD1 4.47Å; P652-P980 WeakPolarHBondContact CB-O 3.28Å; P652-P980 WeakPolarHBondContact CG-O 3.34Å; P652-V982 HydrophobicContact CG-CG2 4.08Å
653	D	91.5	Very high	89.1	Confident	48 Å²	48	28 Å²	28	26%	0.257	14%	0.138	S	C	.	.	H	α-helix	trans	-56.8	-36	-171.6	-60.7	-5.3	0	0	0	112.9	V655 I656 Y657 L685 R974	D653-V655 PolarHBondContact O-N 3.45Å; D653-I656 WeakPolarHBondContact O-CB 3.39Å; D653-I656 PolarHBondContact O-N 2.9Å; D653-Y657 HydrophobicContact CB-CD2 4.47Å; D653-Y657 HydrophobicContact CB-CE2 4.46Å; D653-Y657 WeakPolarHBondContact O-CD2 3.19Å; D653-Y657 PolarHBondContact O-N 3.38Å; D653-L685 HydrophobicContact CB-CD1 4.11Å; D653-R974 VanDerWaalsContact CG-NH2 3.26Å; D653-R974 IonicContact OD1-CZ 3.56Å; D653-R974 VanDerWaalsContact OD1-CZ 3.31Å; D653-R974 IonicContact OD1-NH1 3.66Å; D653-R974 PolarHBondContact OD1-NH1 2.66Å; D653-R974 IonicContact OD1-NH2 3.15Å; D653-R974 PolarHBondContact OD1-NH2 2.87Å; D653-R974 VanDerWaalsContact OD1-NH2 3.09Å; D653-R974 IonicContact OD2-CZ 3.5Å; D653-R974 IonicContact OD2-NH1 2.69Å; D653-R974 IonicContact OD2-NH2 3.6Å; D653-R974 PolarHBondContact OD2-NH2 2.75Å
654	N	93.4	Very high	89.8	Confident	47 Å²	47	29.6 Å²	29.6	25%	0.251	14%	0.144	S	C	.	.	H	α-helix	trans	-62.8	-24.1	179.7	81	-41.6	0	0	0	113.5	P652 K658 V982 F984	P652-N654 PolarHBondContact O-N 3.08Å; P652-N654 VanDerWaalsContact O-N 3.12Å; N654-K658 WeakPolarHBondContact O-CB 3.43Å; N654-K658 PolarHBondContact O-N 2.96Å; N654-V982 PolarHBondContact ND2-N 2.91Å; N654-V982 PolarHBondContact ND2-O 3.01Å; N654-V982 PolarHBondContact OD1-N 3.25Å; N654-V982 VanDerWaalsContact OD1-N 3.08Å; N654-F984 WeakPolarHBondContact ND2-CE2 3.35Å
655	V	93.2	Very high	90.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.2	-38.1	171.5	-176.1	0	0	0	0	110.9	Y651 P652 D653 F659 V982 F984 I1006 A1009 L1010	Y651-V655 HydrophobicContact CG-CG1 4.38Å; P652-V655 WeakPolarHBondContact O-CB 3.18Å; P652-V655 PolarHBondContact O-N 2.74Å; D653-V655 PolarHBondContact O-N 3.45Å; V655-F659 VanDerWaalsContact O-CB 3.24Å; V655-F659 WeakPolarHBondContact O-CB 3.4Å; V655-F659 PolarHBondContact O-N 2.94Å; V655-V982 HydrophobicContact CG2-CB 3.99Å; V655-V982 HydrophobicContact CG2-CG2 3.45Å; V655-V982 VanDerWaalsContact CG2-CG2 3.45Å; V655-F984 HydrophobicContact CG2-CE1 4.41Å; V655-F984 HydrophobicContact CG2-CZ 4.32Å; V655-I1006 HydrophobicContact CG1-CD1 3.9Å; V655-A1009 HydrophobicContact CG1-CB 4.27Å; V655-L1010 HydrophobicContact CG1-CD2 3.81Å; V655-L1010 HydrophobicContact CG1-CG 4.17Å
656	I	93.3	Very high	90.6	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.1	-47.5	-179.9	-49.7	-54.3	0	0	0	110.4	A645 Y651 D653 F659 C660 L685 A689	A645-I656 HydrophobicContact CB-CD1 3.99Å; Y651-I656 HydrophobicContact CD2-CD1 4.31Å; D653-I656 WeakPolarHBondContact O-CB 3.39Å; D653-I656 PolarHBondContact O-N 2.9Å; I656-F659 PolarHBondContact O-N 3.3Å; I656-C660 PolarHBondContact O-N 3.37Å; I656-L685 HydrophobicContact CB-CD2 4.47Å; I656-L685 HydrophobicContact CG1-CD2 4.14Å; I656-L685 HydrophobicContact CG2-CG 4.41Å; I656-A689 HydrophobicContact CG2-CB 4.04Å
657	Y	95	Very high	90.9	Very high	76 Å²	76	37.7 Å²	37.7	30%	0.298	18%	0.18	S	C	.	.	H	α-helix	trans	-58.4	-48.7	174	-77.8	-82.2	0	0	0	112	D653 F659 C660 E661 L685 E688 A689	D653-Y657 HydrophobicContact CB-CD2 4.47Å; D653-Y657 HydrophobicContact CB-CE2 4.46Å; D653-Y657 WeakPolarHBondContact O-CD2 3.19Å; D653-Y657 PolarHBondContact O-N 3.38Å; Y657-F659 VanDerWaalsContact C-N 3.33Å; Y657-F659 PolarHBondContact O-N 3.11Å; Y657-C660 PolarHBondContact O-N 2.92Å; Y657-E661 WeakPolarHBondContact O-CB 3.47Å; Y657-E661 PolarHBondContact O-N 3.09Å; Y657-L685 HydrophobicContact CD2-CD1 4.31Å; Y657-L685 HydrophobicContact CE2-CD1 3.58Å; Y657-E688 WeakPolarHBondContact OH-CB 3.5Å; Y657-E688 PolarHBondContact OH-OE2 3.42Å; Y657-A689 HydrophobicContact CD1-CB 3.85Å; Y657-A689 HydrophobicContact CE1-CB 4.01Å; Y657-A689 HydrophobicContact CG-CB 4.15Å
658	K	94.8	Very high	91.6	Very high	61 Å²	61	37.7 Å²	37.7	27%	0.265	18%	0.179	S	C	.	.	H	α-helix	trans	-63.6	-37.2	179.5	-165.7	76	-148.8	162	0	112.3	N654 E661 Q662 F984 I1006	N654-K658 WeakPolarHBondContact O-CB 3.43Å; N654-K658 PolarHBondContact O-N 2.96Å; K658-E661 VanDerWaalsContact CD-OE2 3.3Å; K658-E661 WeakPolarHBondContact CD-OE2 3.28Å; K658-E661 VanDerWaalsContact CE-OE2 3.24Å; K658-E661 WeakPolarHBondContact CE-OE2 3.49Å; K658-E661 IonicContact NZ-OE1 3.43Å; K658-E661 PolarHBondContact NZ-OE1 3.31Å; K658-E661 IonicContact NZ-OE2 3.55Å; K658-E661 PolarHBondContact NZ-OE2 2.83Å; K658-Q662 PolarHBondContact O-N 3.35Å; K658-F984 HydrophobicContact CB-CE2 3.93Å; K658-F984 HydrophobicContact CB-CZ 3.76Å; K658-F984 HydrophobicContact CD-CE2 4.3Å; K658-F984 HydrophobicContact CG-CD2 4.44Å; K658-F984 HydrophobicContact CG-CE1 4.49Å; K658-F984 HydrophobicContact CG-CE2 4Å; K658-F984 HydrophobicContact CG-CZ 4.03Å; K658-I1006 HydrophobicContact CB-CD1 3.98Å; K658-I1006 HydrophobicContact CG-CD1 4.13Å
659	F	95.9	Very high	92.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-46.6	174.5	177.8	-87.7	0	0	0	112	W604 F609 W621 M638 L640 A645 V646 V655 I656 Y657 Q662 A663 I1006 L1010	W604-F659 HydrophobicContact CH2-CZ 4.45Å; W604-F659 HydrophobicContact CZ3-CE2 4.27Å; W604-F659 AromaticContact CZ3-CZ 3.75Å; W604-F659 HydrophobicContact CZ3-CZ 3.75Å; F609-F659 HydrophobicContact CD2-CE2 4.36Å; F609-F659 AromaticContact CE2-CE2 3.86Å; F609-F659 HydrophobicContact CE2-CE2 3.86Å; F609-F659 HydrophobicContact CZ-CE2 4.3Å; W621-F659 HydrophobicContact CH2-CD2 4.14Å; W621-F659 HydrophobicContact CH2-CE2 4.01Å; W621-F659 AromaticContact CZ2-CD2 3.96Å; W621-F659 HydrophobicContact CZ2-CD2 3.96Å; W621-F659 AromaticContact CZ2-CE2 3.76Å; W621-F659 HydrophobicContact CZ2-CE2 3.76Å; M638-F659 HydrophobicContact CE-CE1 3.78Å; M638-F659 HydrophobicContact CE-CZ 4.01Å; M638-F659 HydrophobicContact SD-CE1 4.1Å; L640-F659 HydrophobicContact CD1-CD1 3.97Å; L640-F659 HydrophobicContact CD1-CE1 3.64Å; A645-F659 HydrophobicContact CB-CB 4.37Å; A645-F659 HydrophobicContact CB-CD1 3.62Å; A645-F659 HydrophobicContact CB-CE1 4.06Å; A645-F659 HydrophobicContact CB-CG 3.93Å; V646-F659 HydrophobicContact CB-CZ 4.37Å; V646-F659 HydrophobicContact CG1-CE1 4.14Å; V646-F659 HydrophobicContact CG1-CE2 4.45Å; V646-F659 HydrophobicContact CG1-CZ 3.67Å; V646-F659 HydrophobicContact CG2-CD2 4.46Å; V646-F659 HydrophobicContact CG2-CE2 3.66Å; V646-F659 HydrophobicContact CG2-CZ 3.74Å; V655-F659 VanDerWaalsContact O-CB 3.24Å; V655-F659 WeakPolarHBondContact O-CB 3.4Å; V655-F659 PolarHBondContact O-N 2.94Å; I656-F659 PolarHBondContact O-N 3.3Å; Y657-F659 VanDerWaalsContact C-N 3.33Å; Y657-F659 PolarHBondContact O-N 3.11Å; F659-Q662 PolarHBondContact O-N 3.45Å; F659-A663 HydrophobicContact CE1-CB 4.21Å; F659-A663 WeakPolarHBondContact O-CB 3.41Å; F659-A663 PolarHBondContact O-N 2.84Å; F659-I1006 HydrophobicContact CB-CG1 4.03Å; F659-I1006 HydrophobicContact CD2-CG1 4.31Å; F659-L1010 HydrophobicContact CD2-CD1 3.49Å; F659-L1010 VanDerWaalsContact CD2-CD1 3.49Å; F659-L1010 HydrophobicContact CE2-CD1 3.94Å; F659-L1010 HydrophobicContact CG-CD1 4.24Å
660	C	96.1	Very high	93.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-42.3	178.5	-75.4	0	0	0	0	112.1	I656 Y657 A663 K664 F671 A689 A693	I656-C660 PolarHBondContact O-N 3.37Å; Y657-C660 PolarHBondContact O-N 2.92Å; C660-A663 PolarHBondContact O-N 3.18Å; C660-K664 WeakPolarHBondContact O-CB 3.45Å; C660-K664 PolarHBondContact O-N 2.68Å; C660-F671 HydrophobicContact CB-CE1 4.39Å; C660-A689 HydrophobicContact CB-CB 4.19Å; C660-A689 WeakPolarHBondContact CB-O 3.43Å; C660-A693 HydrophobicContact CB-CB 4.04Å; C660-A693 WeakPolarHBondContact O-CB 3.37Å
661	E	96.2	Very high	94.8	Very high	87 Å²	87	28.1 Å²	28.1	41%	0.407	13%	0.129	S	C	.	.	H	α-helix	trans	-55	-54.9	173.2	-178.5	-162.7	167.4	0	0	111.3	Y657 K658 K664 Q665	Y657-E661 WeakPolarHBondContact O-CB 3.47Å; Y657-E661 PolarHBondContact O-N 3.09Å; K658-E661 VanDerWaalsContact CD-OE2 3.3Å; K658-E661 WeakPolarHBondContact CD-OE2 3.28Å; K658-E661 VanDerWaalsContact CE-OE2 3.24Å; K658-E661 WeakPolarHBondContact CE-OE2 3.49Å; K658-E661 IonicContact NZ-OE1 3.43Å; K658-E661 PolarHBondContact NZ-OE1 3.31Å; K658-E661 IonicContact NZ-OE2 3.55Å; K658-E661 PolarHBondContact NZ-OE2 2.83Å; E661-K664 PolarHBondContact O-N 3.27Å; E661-Q665 WeakPolarHBondContact O-CB 3.25Å; E661-Q665 PolarHBondContact O-N 2.81Å
662	Q	95.7	Very high	95.4	Very high	8 Å²	8	27 Å²	27	4%	0.037	13%	0.125	C	C	.	.	H	α-helix	trans	-65.3	-41.6	178.9	-74.5	-179	-33.5	0	0	111.9	W621 K658 F659 K664 Q665 Y666 D1002	W621-Q662 HydrophobicContact CH2-CB 3.8Å; W621-Q662 HydrophobicContact CZ3-CB 3.91Å; K658-Q662 PolarHBondContact O-N 3.35Å; F659-Q662 PolarHBondContact O-N 3.45Å; Q662-K664 VanDerWaalsContact C-N 3.28Å; Q662-K664 PolarHBondContact O-N 2.68Å; Q662-Q665 WeakPolarHBondContact O-CB 3.28Å; Q662-Q665 PolarHBondContact O-N 3.35Å; Q662-Y666 HydrophobicContact CB-CD2 4.35Å; Q662-Y666 WeakPolarHBondContact O-CB 3.18Å; Q662-Y666 VanDerWaalsContact O-CD2 3.28Å; Q662-Y666 WeakPolarHBondContact O-CD2 3.43Å; Q662-Y666 PolarHBondContact O-N 3.36Å; Q662-D1002 PolarHBondContact NE2-O 3.16Å; Q662-D1002 VanDerWaalsContact NE2-O 3.12Å
663	A	96.8	Very high	95.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-56.9	-42.9	176.2	0	0	0	0	0	111.4	W604 W621 M638 F659 C660 G667 I668 F671	W604-A663 HydrophobicContact CZ3-CB 4.29Å; W621-A663 HydrophobicContact CH2-CB 4.49Å; M638-A663 HydrophobicContact SD-CB 4.35Å; F659-A663 HydrophobicContact CE1-CB 4.21Å; F659-A663 WeakPolarHBondContact O-CB 3.41Å; F659-A663 PolarHBondContact O-N 2.84Å; C660-A663 PolarHBondContact O-N 3.18Å; A663-G667 PolarHBondContact O-N 2.97Å; A663-G667 VanDerWaalsContact O-N 3.16Å; A663-I668 HydrophobicContact CB-CB 4.43Å; A663-I668 HydrophobicContact CB-CG1 3.94Å; A663-I668 WeakPolarHBondContact O-CB 3.43Å; A663-I668 WeakPolarHBondContact O-CG1 3.4Å; A663-I668 PolarHBondContact O-N 2.91Å; A663-F671 HydrophobicContact CB-CE1 3.81Å; A663-F671 HydrophobicContact CB-CZ 3.93Å
664	K	96.1	Very high	95.9	Very high	36 Å²	36	24.6 Å²	24.6	16%	0.157	11%	0.111	C	C	.	.	H	α-helix	trans	-68.9	-43.6	175.6	-176.1	45.9	-173.9	154.1	0	112	F542 C660 E661 Q662 Y666 G667 I668 D669 F671 A693 G694	F542-K664 VanDerWaalsContact CE1-NZ 3.35Å; C660-K664 WeakPolarHBondContact O-CB 3.45Å; C660-K664 PolarHBondContact O-N 2.68Å; E661-K664 PolarHBondContact O-N 3.27Å; Q662-K664 VanDerWaalsContact C-N 3.28Å; Q662-K664 PolarHBondContact O-N 2.68Å; K664-Y666 PolarHBondContact O-N 3.49Å; K664-G667 PolarHBondContact O-N 3.3Å; K664-I668 WeakPolarHBondContact CD-O 3.48Å; K664-I668 PolarHBondContact NZ-O 2.87Å; K664-D669 IonicContact NZ-OD1 3.41Å; K664-D669 PolarHBondContact NZ-OD1 2.83Å; K664-F671 HydrophobicContact CB-CE2 4.19Å; K664-F671 HydrophobicContact CB-CZ 4.08Å; K664-A693 HydrophobicContact CB-CB 3.99Å; K664-A693 WeakPolarHBondContact CG-O 3.2Å; K664-G694 VanDerWaalsContact CE-O 3.29Å; K664-G694 WeakPolarHBondContact CE-O 3.48Å
665	Q	95.2	Very high	95.9	Very high	134 Å²	134	22.3 Å²	22.3	63%	0.626	10%	0.099	S	C	*	.	H	α-helix	trans	-56.7	-45.6	176.3	-174.9	-174	7.2	0	0	112.4	E661 Q662	E661-Q665 WeakPolarHBondContact O-CB 3.25Å; E661-Q665 PolarHBondContact O-N 2.81Å; Q662-Q665 WeakPolarHBondContact O-CB 3.28Å; Q662-Q665 PolarHBondContact O-N 3.35Å
666	Y	95.1	Very high	95.8	Very high	55 Å²	55	22.3 Å²	22.3	22%	0.216	10%	0.099	C	C	.	.	H	α-helix	trans	-82.4	-15.4	-176.1	-79.1	-78.1	0	0	0	114.4	W621 E625 Q662 K664 V1003	W621-Y666 AromaticContact CE3-CD2 3.93Å; W621-Y666 HydrophobicContact CE3-CD2 3.93Å; W621-Y666 HydrophobicContact CE3-CG 4.11Å; W621-Y666 HydrophobicContact CZ3-CD2 4.01Å; W621-Y666 HydrophobicContact CZ3-CG 4.46Å; E625-Y666 HydrophobicContact CG-CD1 3.65Å; E625-Y666 HydrophobicContact CG-CE1 4.22Å; E625-Y666 WeakPolarHBondContact OE1-CE1 3.47Å; Q662-Y666 HydrophobicContact CB-CD2 4.35Å; Q662-Y666 WeakPolarHBondContact O-CB 3.18Å; Q662-Y666 VanDerWaalsContact O-CD2 3.28Å; Q662-Y666 WeakPolarHBondContact O-CD2 3.43Å; Q662-Y666 PolarHBondContact O-N 3.36Å; K664-Y666 PolarHBondContact O-N 3.49Å; Y666-V1003 HydrophobicContact CD2-CG1 3.67Å; Y666-V1003 HydrophobicContact CE2-CG1 3.18Å
667	G	94.9	Very high	95.8	Very high	2 Å²	2	22.3 Å²	22.3	2%	0.021	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	145.3	1.6	161.3	0	0	0	0	0	118.3	R539 A663 K664	R539-G667 PolarHBondContact NH1-O 3.41Å; A663-G667 PolarHBondContact O-N 2.97Å; A663-G667 VanDerWaalsContact O-N 3.16Å; K664-G667 PolarHBondContact O-N 3.3Å
668	I	97.9	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.			trans	-61	147.7	172.1	-59.3	-54.2	0	0	0	110	M603 W604 L624 M638 A663 K664 F671	M603-I668 HydrophobicContact CE-CD1 3.31Å; W604-I668 HydrophobicContact CB-CD1 4.04Å; W604-I668 HydrophobicContact CD2-CD1 4.25Å; W604-I668 HydrophobicContact CE3-CD1 3.96Å; W604-I668 HydrophobicContact CE3-CG1 4.21Å; W604-I668 HydrophobicContact CG-CD1 4.33Å; L624-I668 HydrophobicContact CD1-CD1 3.84Å; L624-I668 HydrophobicContact CD1-CG1 4.44Å; L624-I668 HydrophobicContact CD2-CD1 4.21Å; L624-I668 HydrophobicContact CD2-CG1 4.13Å; M638-I668 HydrophobicContact CB-CD1 4.07Å; M638-I668 HydrophobicContact CG-CD1 4.36Å; M638-I668 HydrophobicContact CG-CG1 4.37Å; M638-I668 HydrophobicContact CG-CG2 3.89Å; M638-I668 HydrophobicContact SD-CD1 4.45Å; M638-I668 HydrophobicContact SD-CG1 4.07Å; M638-I668 HydrophobicContact SD-CG2 4.32Å; A663-I668 HydrophobicContact CB-CB 4.43Å; A663-I668 HydrophobicContact CB-CG1 3.94Å; A663-I668 WeakPolarHBondContact O-CB 3.43Å; A663-I668 WeakPolarHBondContact O-CG1 3.4Å; A663-I668 PolarHBondContact O-N 2.91Å; K664-I668 WeakPolarHBondContact CD-O 3.48Å; K664-I668 PolarHBondContact NZ-O 2.87Å; I668-F671 HydrophobicContact CB-CE1 4.44Å; I668-F671 HydrophobicContact CB-CE2 4.24Å; I668-F671 HydrophobicContact CB-CZ 3.95Å; I668-F671 HydrophobicContact CG2-CD1 4.17Å; I668-F671 HydrophobicContact CG2-CD2 3.92Å; I668-F671 HydrophobicContact CG2-CE1 3.87Å; I668-F671 HydrophobicContact CG2-CE2 3.61Å; I668-F671 HydrophobicContact CG2-CG 4.2Å; I668-F671 HydrophobicContact CG2-CZ 3.59Å
669	D	97.9	Very high	95.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.083	C	C	.	.			trans	-120.8	-45	173.2	-61.5	-52.7	0	0	0	112.1	R539 F542 P635 F636 K664 V696	R539-D669 VanDerWaalsContact CD-OD2 3.26Å; R539-D669 WeakPolarHBondContact CD-OD2 3.37Å; R539-D669 IonicContact CZ-OD1 3.15Å; R539-D669 VanDerWaalsContact CZ-OD1 3.28Å; R539-D669 IonicContact CZ-OD2 3.79Å; R539-D669 IonicContact NE-OD1 2.69Å; R539-D669 IonicContact NE-OD2 2.97Å; R539-D669 IonicContact NH1-OD1 2.72Å; R539-D669 PolarHBondContact NH1-OD1 2.88Å; R539-D669 IonicContact NH1-OD2 3.75Å; R539-D669 PolarHBondContact NH1-OD2 3.25Å; R539-D669 IonicContact NH2-OD1 3.97Å; F542-D669 HydrophobicContact CD1-CB 3.76Å; F542-D669 HydrophobicContact CE1-CB 3.59Å; F542-D669 WeakPolarHBondContact CE1-OD1 3.46Å; P635-D669 VanDerWaalsContact CA-OD2 3.3Å; P635-D669 WeakPolarHBondContact CA-OD2 3.46Å; P635-D669 HydrophobicContact CB-CB 4.07Å; F636-D669 PolarHBondContact N-OD2 3.16Å; F636-D669 PolarHBondContact O-N 2.81Å; K664-D669 IonicContact NZ-OD1 3.41Å; K664-D669 PolarHBondContact NZ-OD1 2.83Å; D669-V696 PolarHBondContact O-N 2.88Å
670	V	98.3	Very high	95.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.9	-176.8	-171.9	0	0	0	0	109.9	F599 P635 F636 Q637 M638 V696 E698	F599-V670 HydrophobicContact CZ-CG2 4.28Å; P635-V670 HydrophobicContact CB-CG2 4.29Å; F636-V670 PolarHBondContact O-N 3.44Å; Q637-V670 VanDerWaalsContact CA-O 3.31Å; Q637-V670 WeakPolarHBondContact CA-O 3.49Å; Q637-V670 HydrophobicContact CB-CB 4.04Å; Q637-V670 HydrophobicContact CG-CB 4.01Å; Q637-V670 HydrophobicContact CG-CG1 4.07Å; M638-V670 PolarHBondContact N-O 3.12Å; V670-V696 WeakPolarHBondContact CA-O 3.13Å; V670-V696 HydrophobicContact CG2-CB 4.19Å; V670-E698 HydrophobicContact CG1-CB 4.01Å
671	F	98.1	Very high	95.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	104.2	175.4	-68.7	-96.2	0	0	0	108.8	M638 L640 C660 A663 K664 I668 V673 S690 V696 E698	M638-F671 HydrophobicContact CG-CD1 3.99Å; M638-F671 HydrophobicContact CG-CE1 4.39Å; M638-F671 HydrophobicContact SD-CD1 3.86Å; M638-F671 HydrophobicContact SD-CE1 3.8Å; L640-F671 HydrophobicContact CD2-CD1 4.35Å; C660-F671 HydrophobicContact CB-CE1 4.39Å; A663-F671 HydrophobicContact CB-CE1 3.81Å; A663-F671 HydrophobicContact CB-CZ 3.93Å; K664-F671 HydrophobicContact CB-CE2 4.19Å; K664-F671 HydrophobicContact CB-CZ 4.08Å; I668-F671 HydrophobicContact CB-CE1 4.44Å; I668-F671 HydrophobicContact CB-CE2 4.24Å; I668-F671 HydrophobicContact CB-CZ 3.95Å; I668-F671 HydrophobicContact CG2-CD1 4.17Å; I668-F671 HydrophobicContact CG2-CD2 3.92Å; I668-F671 HydrophobicContact CG2-CE1 3.87Å; I668-F671 HydrophobicContact CG2-CE2 3.61Å; I668-F671 HydrophobicContact CG2-CG 4.2Å; I668-F671 HydrophobicContact CG2-CZ 3.59Å; F671-V673 HydrophobicContact CB-CG2 4.31Å; F671-V673 PolarHBondContact O-N 2.85Å; F671-S690 WeakPolarHBondContact CB-OG 3.29Å; F671-V696 PolarHBondContact N-O 3.39Å; F671-E698 PolarHBondContact O-N 3.12Å
672	R	98.1	Very high	94.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	95	171.4	-178.5	178.9	-75.6	170.6	-19.1	109	E602 Q637 M638 L639 L640 E698 A700 H766 D792	E602-R672 IonicContact OE1-CZ 3.18Å; E602-R672 IonicContact OE1-NH1 2.69Å; E602-R672 PolarHBondContact OE1-NH1 3Å; Q637-R672 VanDerWaalsContact NE2-NH1 3.18Å; M638-R672 WeakPolarHBondContact O-CB 3.44Å; M638-R672 PolarHBondContact O-N 2.92Å; L639-R672 HydrophobicContact CD1-CB 4.34Å; L639-R672 HydrophobicContact CD1-CG 3.89Å; L640-R672 PolarHBondContact N-O 2.99Å; R672-E698 CarbonylContact C-O 3.51Å; R672-E698 VanDerWaalsContact CA-O 3.25Å; R672-E698 WeakPolarHBondContact CA-O 3.45Å; R672-E698 IonicContact CZ-OE1 3.92Å; R672-E698 VanDerWaalsContact CZ-OE1 3.27Å; R672-E698 IonicContact NE-OE1 3.98Å; R672-E698 PolarHBondContact NE-OE1 2.8Å; R672-E698 IonicContact NH2-OE1 3.38Å; R672-E698 PolarHBondContact NH2-OE1 2.85Å; R672-A700 HydrophobicContact CG-CB 4.06Å; R672-H766 PolarHBondContact NH2-CE1 2.81Å; R672-H766 PolarHBondContact NH2-ND1 3.1Å; R672-H766 PolarHBondContact NH2-NE2 3.05Å; R672-H766 VanDerWaalsContact NH2-NE2 3.18Å; R672-D792 IonicContact CZ-OD2 2.77Å; R672-D792 VanDerWaalsContact CZ-OD2 3.29Å; R672-D792 IonicContact NH1-OD1 2.68Å; R672-D792 IonicContact NH1-OD2 2.67Å; R672-D792 PolarHBondContact NH1-OD2 2.96Å; R672-D792 IonicContact NH2-OD1 2.74Å; R672-D792 IonicContact NH2-OD2 3.2Å; R672-D792 PolarHBondContact NH2-OD2 2.95Å; R672-D792 VanDerWaalsContact NH2-OD2 3.1Å
673	V	96.9	Very high	94.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	118.9	-176.4	-174	0	0	0	0	109.6	L640 F671 L683 I687 V697 E698 A700	L640-V673 HydrophobicContact CD2-CG2 4.2Å; L640-V673 WeakPolarHBondContact O-CA 3.28Å; F671-V673 HydrophobicContact CB-CG2 4.31Å; F671-V673 PolarHBondContact O-N 2.85Å; V673-L683 HydrophobicContact CG1-CD2 4.36Å; V673-I687 HydrophobicContact CB-CG1 4.46Å; V673-I687 HydrophobicContact CG1-CG1 4.33Å; V673-V697 HydrophobicContact CG2-CG1 4.06Å; V673-E698 PolarHBondContact N-O 3.03Å; V673-A700 PolarHBondContact O-N 3.2Å
674	F	95.5	Very high	94.5	Very high	10 Å²	10	21 Å²	21	4%	0.044	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	163.1	174.9	84.2	-74.3	0	0	0	112	L639 L640 R641 G642 L683 A700 V904	L639-F674 HydrophobicContact CD1-CD1 3.52Å; L639-F674 HydrophobicContact CD1-CE1 3.86Å; L639-F674 HydrophobicContact CD1-CG 4.32Å; L639-F674 HydrophobicContact CD2-CD1 4.45Å; L639-F674 HydrophobicContact CD2-CE1 3.96Å; L639-F674 HydrophobicContact CG-CD1 3.87Å; L639-F674 HydrophobicContact CG-CE1 3.69Å; L640-F674 VanDerWaalsContact O-CD1 3.24Å; L640-F674 WeakPolarHBondContact O-CD1 3.45Å; L640-F674 PolarHBondContact O-N 2.64Å; R641-F674 WeakPolarHBondContact CA-O 3.45Å; R641-F674 HydrophobicContact CB-CD1 4.39Å; R641-F674 HydrophobicContact CB-CE1 3.75Å; R641-F674 HydrophobicContact CB-CZ 3.92Å; R641-F674 HydrophobicContact CG-CE1 4.34Å; R641-F674 HydrophobicContact CG-CE2 4.43Å; R641-F674 HydrophobicContact CG-CZ 4.14Å; G642-F674 PolarHBondContact N-O 3.3Å; F674-L683 VanDerWaalsContact C-CD2 3.49Å; F674-A700 HydrophobicContact CB-CB 4.01Å; F674-V904 HydrophobicContact CD2-CG1 4.14Å; F674-V904 HydrophobicContact CE2-CG1 3.82Å; F674-V904 HydrophobicContact CE2-CG2 3.95Å
675	D	93.2	Very high	94.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.			trans	-126	146.7	165.7	176.9	-100.7	0	0	0	109.9	L677 N678 Y679 N682 L683 S702	D675-L677 PolarHBondContact O-N 2.77Å; D675-L677 WeakPolarHBondContact OD1-CA 3.37Å; D675-L677 PolarHBondContact OD1-N 2.86Å; D675-N678 PolarHBondContact O-N 2.81Å; D675-N678 PolarHBondContact OD1-N 3.4Å; D675-N678 VanDerWaalsContact OD1-N 3.1Å; D675-Y679 WeakPolarHBondContact OD1-CB 3.2Å; D675-Y679 PolarHBondContact OD1-N 3.03Å; D675-N682 HydrophobicContact CB-CB 4.07Å; D675-N682 VanDerWaalsContact OD2-CB 3.29Å; D675-N682 WeakPolarHBondContact OD2-CB 3.46Å; D675-N682 PolarHBondContact OD2-ND2 2.94Å; D675-L683 HydrophobicContact CB-CD2 4.01Å; D675-L683 HydrophobicContact CB-CG 3.84Å; D675-S702 PolarHBondContact O-OG 3.4Å
676	S	90.8	Very high	94.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.7	-175.1	47.1	0	0	0	0	115.5	I902 P906 T907 I949	S676-I902 WeakPolarHBondContact O-CG2 3.48Å; S676-P906 WeakPolarHBondContact OG-CD 3.5Å; S676-T907 PolarHBondContact O-OG1 3.28Å; S676-I949 WeakPolarHBondContact OG-CG2 3.45Å
677	L	92.4	Very high	94.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	7.5	176.5	-64.3	169.6	0	0	0	111.6	D675 Y679 I902 T907 F944 I949 P952 P953	D675-L677 PolarHBondContact O-N 2.77Å; D675-L677 WeakPolarHBondContact OD1-CA 3.37Å; D675-L677 PolarHBondContact OD1-N 2.86Å; L677-Y679 PolarHBondContact O-N 2.68Å; L677-I902 VanDerWaalsContact C-CD1 3.5Å; L677-I902 WeakPolarHBondContact O-CD1 3.33Å; L677-T907 HydrophobicContact CD2-CG2 3.78Å; L677-T907 HydrophobicContact CG-CG2 4.05Å; L677-F944 HydrophobicContact CD1-CE2 4.01Å; L677-F944 HydrophobicContact CD2-CE2 4.13Å; L677-I949 HydrophobicContact CD1-CG2 4.06Å; L677-I949 HydrophobicContact CG-CG2 4.49Å; L677-P952 HydrophobicContact CD2-CB 4.3Å; L677-P953 WeakPolarHBondContact O-CD 3.46Å; L677-P953 VanDerWaalsContact O-CG 3.26Å; L677-P953 WeakPolarHBondContact O-CG 3.06Å
678	N	94.1	Very high	94.2	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.032	7%	0.073	C	C	.	.			trans	52.1	30.5	-166.5	-65.9	-15	0	0	0	113.4	D675 M680 S702 Y719 L723 I902	D675-N678 PolarHBondContact O-N 2.81Å; D675-N678 PolarHBondContact OD1-N 3.4Å; D675-N678 VanDerWaalsContact OD1-N 3.1Å; N678-M680 PolarHBondContact O-N 3.23Å; N678-S702 PolarHBondContact ND2-O 3.05Å; N678-S702 WeakPolarHBondContact OD1-CB 3.4Å; N678-S702 PolarHBondContact OD1-N 2.88Å; N678-S702 PolarHBondContact OD1-OG 3.24Å; N678-Y719 WeakPolarHBondContact CB-OH 3.14Å; N678-Y719 PolarHBondContact ND2-OH 2.88Å; N678-Y719 VanDerWaalsContact ND2-OH 3.1Å; N678-L723 HydrophobicContact CB-CD1 4.41Å; N678-L723 HydrophobicContact CB-CD2 3.62Å; N678-L723 WeakPolarHBondContact ND2-CD2 3.33Å; N678-I902 HydrophobicContact CB-CD1 3.81Å; N678-I902 WeakPolarHBondContact ND2-CD1 3.37Å
679	Y	92	Very high	94.1	Very high	52 Å²	52	14.5 Å²	14.5	20%	0.204	7%	0.073	C	C	.	.			trans	-76.2	107.8	-176.7	-176.8	-128.8	0	0	0	110.6	D675 L677 P681 N682 L683 Q951	D675-Y679 WeakPolarHBondContact OD1-CB 3.2Å; D675-Y679 PolarHBondContact OD1-N 3.03Å; L677-Y679 PolarHBondContact O-N 2.68Å; Y679-P681 HydrophobicContact CD1-CB 4.42Å; Y679-P681 HydrophobicContact CD2-CG 4.43Å; Y679-P681 HydrophobicContact CE1-CB 3.89Å; Y679-P681 HydrophobicContact CE1-CG 4.02Å; Y679-P681 HydrophobicContact CE2-CG 3.86Å; Y679-N682 HydrophobicContact CD1-CB 4.29Å; Y679-N682 WeakPolarHBondContact CD1-OD1 3.41Å; Y679-N682 WeakPolarHBondContact O-CA 3.37Å; Y679-N682 WeakPolarHBondContact O-CB 3.37Å; Y679-N682 PolarHBondContact O-N 2.79Å; Y679-L683 PolarHBondContact O-N 3.15Å; Y679-Q951 HydrophobicContact CD2-CB 3.87Å; Y679-Q951 HydrophobicContact CD2-CG 4.44Å; Y679-Q951 HydrophobicContact CE1-CB 4.47Å; Y679-Q951 HydrophobicContact CE1-CG 4.15Å; Y679-Q951 HydrophobicContact CE2-CB 3.63Å; Y679-Q951 HydrophobicContact CE2-CG 3.77Å; Y679-Q951 HydrophobicContact CG-CB 4.41Å
680	M	92.2	Very high	93.9	Very high	25 Å²	25	14.5 Å²	14.5	12%	0.123	7%	0.073	C	C	.	.	H	α-helix	trans	-52.7	-40.2	-172.2	-82.6	-58.2	-59.3	0	0	115.7	N678 N682 L683 L684 L723 E726 I727 A730	N678-M680 PolarHBondContact O-N 3.23Å; M680-N682 PolarHBondContact O-N 3.4Å; M680-L683 PolarHBondContact O-N 3.37Å; M680-L683 VanDerWaalsContact O-N 3.11Å; M680-L683 HydrophobicContact SD-CB 4.25Å; M680-L683 HydrophobicContact SD-CD1 3.61Å; M680-L684 WeakPolarHBondContact O-CB 3.43Å; M680-L684 PolarHBondContact O-N 3.2Å; M680-L723 HydrophobicContact CG-CD1 3.89Å; M680-L723 HydrophobicContact SD-CD1 3.84Å; M680-E726 HydrophobicContact CE-CB 3.97Å; M680-E726 WeakPolarHBondContact CE-O 3.4Å; M680-E726 HydrophobicContact CG-CB 3.9Å; M680-E726 WeakPolarHBondContact CG-OE2 3.48Å; M680-E726 HydrophobicContact SD-CB 4.04Å; M680-I727 HydrophobicContact CE-CG1 4.17Å; M680-I727 HydrophobicContact SD-CD1 4.42Å; M680-I727 HydrophobicContact SD-CG1 3.54Å; M680-I727 VanDerWaalsContact SD-CG1 3.54Å; M680-A730 HydrophobicContact CE-CB 4.09Å
681	P	91	Very high	93.7	Very high	56 Å²	56	16.8 Å²	16.8	36%	0.364	9%	0.092	S	C	.	.	H	α-helix	trans	-62.5	-22.1	174.4	-26.9	37.6	0	0	0	115.1	Y679 R974	Y679-P681 HydrophobicContact CD1-CB 4.42Å; Y679-P681 HydrophobicContact CD2-CG 4.43Å; Y679-P681 HydrophobicContact CE1-CB 3.89Å; Y679-P681 HydrophobicContact CE1-CG 4.02Å; Y679-P681 HydrophobicContact CE2-CG 3.86Å; P681-R974 VanDerWaalsContact O-CD 3.28Å; P681-R974 WeakPolarHBondContact O-CD 3.26Å
682	N	90.3	Very high	93.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-82.1	-39.2	171	-72.6	4.4	0	0	0	111.8	G642 T643 D675 Y679 M680 I949 R974	G642-N682 CarbonylContact C-O 3.55Å; G642-N682 WeakPolarHBondContact CA-O 3.42Å; T643-N682 HydrophobicContact CG2-CB 3.79Å; T643-N682 WeakPolarHBondContact CG2-OD1 3.19Å; D675-N682 HydrophobicContact CB-CB 4.07Å; D675-N682 VanDerWaalsContact OD2-CB 3.29Å; D675-N682 WeakPolarHBondContact OD2-CB 3.46Å; D675-N682 PolarHBondContact OD2-ND2 2.94Å; Y679-N682 HydrophobicContact CD1-CB 4.29Å; Y679-N682 WeakPolarHBondContact CD1-OD1 3.41Å; Y679-N682 WeakPolarHBondContact O-CA 3.37Å; Y679-N682 WeakPolarHBondContact O-CB 3.37Å; Y679-N682 PolarHBondContact O-N 2.79Å; M680-N682 PolarHBondContact O-N 3.4Å; N682-I949 PolarHBondContact ND2-O 2.72Å; N682-R974 WeakPolarHBondContact OD1-CG 3.48Å
683	L	91.7	Very high	93.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-46.2	175.7	-74.9	167.9	0	0	0	111.4	V673 F674 D675 Y679 M680 L685 G686 I687 I727	V673-L683 HydrophobicContact CG1-CD2 4.36Å; F674-L683 VanDerWaalsContact C-CD2 3.49Å; D675-L683 HydrophobicContact CB-CD2 4.01Å; D675-L683 HydrophobicContact CB-CG 3.84Å; Y679-L683 PolarHBondContact O-N 3.15Å; M680-L683 PolarHBondContact O-N 3.37Å; M680-L683 VanDerWaalsContact O-N 3.11Å; M680-L683 HydrophobicContact SD-CB 4.25Å; M680-L683 HydrophobicContact SD-CD1 3.61Å; L683-L685 PolarHBondContact O-N 2.82Å; L683-G686 PolarHBondContact O-N 2.8Å; L683-I687 HydrophobicContact CB-CD1 4.33Å; L683-I687 WeakPolarHBondContact O-CG1 3.35Å; L683-I687 PolarHBondContact O-N 2.91Å; L683-I727 HydrophobicContact CD1-CD1 4.18Å; L683-I727 HydrophobicContact CD1-CG1 4.35Å
684	L	93.2	Very high	93.3	Very high	66 Å²	66	24.1 Å²	24.1	35%	0.346	15%	0.151	S	C	.	.	H	α-helix	trans	-55.6	-47.1	-175.9	-176.8	63.3	0	0	0	112.4	M680 G686 I687 E688 A730	M680-L684 WeakPolarHBondContact O-CB 3.43Å; M680-L684 PolarHBondContact O-N 3.2Å; L684-G686 VanDerWaalsContact C-N 3.3Å; L684-G686 PolarHBondContact O-N 2.96Å; L684-I687 WeakPolarHBondContact O-CB 3.19Å; L684-I687 PolarHBondContact O-N 2.92Å; L684-E688 HydrophobicContact CD1-CG 4.12Å; L684-E688 HydrophobicContact CG-CG 4.31Å; L684-E688 WeakPolarHBondContact CG-OE1 3.22Å; L684-E688 WeakPolarHBondContact O-CB 3.09Å; L684-E688 WeakPolarHBondContact O-CG 3.45Å; L684-E688 PolarHBondContact O-N 2.64Å; L684-A730 HydrophobicContact CD1-CB 3.98Å
685	L	92	Very high	93.2	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-41.1	176.3	175.8	64.4	0	0	0	112.2	D653 I656 Y657 L683 A689	D653-L685 HydrophobicContact CB-CD1 4.11Å; I656-L685 HydrophobicContact CB-CD2 4.47Å; I656-L685 HydrophobicContact CG1-CD2 4.14Å; I656-L685 HydrophobicContact CG2-CG 4.41Å; Y657-L685 HydrophobicContact CD2-CD1 4.31Å; Y657-L685 HydrophobicContact CE2-CD1 3.58Å; L683-L685 PolarHBondContact O-N 2.82Å; L685-A689 WeakPolarHBondContact O-CB 3.43Å; L685-A689 PolarHBondContact O-N 2.58Å
686	G	92.9	Very high	93.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.1	-35.3	178.4	0	0	0	0	0	112.9	L683 L684 S690	L683-G686 PolarHBondContact O-N 2.8Å; L684-G686 VanDerWaalsContact C-N 3.3Å; L684-G686 PolarHBondContact O-N 2.96Å; G686-S690 WeakPolarHBondContact O-CB 3.39Å; G686-S690 PolarHBondContact O-N 2.78Å; G686-S690 VanDerWaalsContact O-N 3.08Å; G686-S690 PolarHBondContact O-OG 3.27Å
687	I	95	Very high	93.8	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-54.2	174	-70.9	166.2	0	0	0	109.6	V673 L683 L684 A689 S690 A691 V697 A699 A730	V673-I687 HydrophobicContact CB-CG1 4.46Å; V673-I687 HydrophobicContact CG1-CG1 4.33Å; L683-I687 HydrophobicContact CB-CD1 4.33Å; L683-I687 WeakPolarHBondContact O-CG1 3.35Å; L683-I687 PolarHBondContact O-N 2.91Å; L684-I687 WeakPolarHBondContact O-CB 3.19Å; L684-I687 PolarHBondContact O-N 2.92Å; I687-A689 PolarHBondContact O-N 3.3Å; I687-S690 PolarHBondContact O-N 3.39Å; I687-A691 WeakPolarHBondContact O-CB 3.39Å; I687-A691 PolarHBondContact O-N 2.83Å; I687-V697 HydrophobicContact CB-CG1 4.19Å; I687-V697 HydrophobicContact CG1-CG1 3.92Å; I687-V697 HydrophobicContact CG2-CG1 4.14Å; I687-A699 HydrophobicContact CD1-CB 3.82Å; I687-A699 HydrophobicContact CG1-CB 4.14Å; I687-A730 HydrophobicContact CD1-CB 3.96Å; I687-A730 VanDerWaalsContact CG2-O 3.29Å; I687-A730 WeakPolarHBondContact CG2-O 3.4Å
688	E	95	Very high	94	Very high	80 Å²	80	23.7 Å²	23.7	37%	0.374	15%	0.15	S	C	.	.	H	α-helix	trans	-59.1	-45.3	178.7	-71.3	174.6	174.9	0	0	112.1	Y657 L684 S692	Y657-E688 WeakPolarHBondContact OH-CB 3.5Å; Y657-E688 PolarHBondContact OH-OE2 3.42Å; L684-E688 HydrophobicContact CD1-CG 4.12Å; L684-E688 HydrophobicContact CG-CG 4.31Å; L684-E688 WeakPolarHBondContact CG-OE1 3.22Å; L684-E688 WeakPolarHBondContact O-CB 3.09Å; L684-E688 WeakPolarHBondContact O-CG 3.45Å; L684-E688 PolarHBondContact O-N 2.64Å; E688-S692 WeakPolarHBondContact O-CB 3.4Å; E688-S692 PolarHBondContact O-N 2.81Å; E688-S692 PolarHBondContact O-OG 3.19Å
689	A	94.8	Very high	94.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-65.5	-38.7	178.3	0	0	0	0	0	112.8	I656 Y657 C660 L685 I687 A693	I656-A689 HydrophobicContact CG2-CB 4.04Å; Y657-A689 HydrophobicContact CD1-CB 3.85Å; Y657-A689 HydrophobicContact CE1-CB 4.01Å; Y657-A689 HydrophobicContact CG-CB 4.15Å; C660-A689 HydrophobicContact CB-CB 4.19Å; C660-A689 WeakPolarHBondContact CB-O 3.43Å; L685-A689 WeakPolarHBondContact O-CB 3.43Å; L685-A689 PolarHBondContact O-N 2.58Å; I687-A689 PolarHBondContact O-N 3.3Å; A689-A693 WeakPolarHBondContact O-CB 3.38Å; A689-A693 PolarHBondContact O-N 2.86Å; A689-A693 VanDerWaalsContact O-N 3.12Å
690	S	94.7	Very high	94.4	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-74.5	-36.6	179.2	-57.1	0	0	0	0	112.4	F671 G686 I687 G695	F671-S690 WeakPolarHBondContact CB-OG 3.29Å; G686-S690 WeakPolarHBondContact O-CB 3.39Å; G686-S690 PolarHBondContact O-N 2.78Å; G686-S690 VanDerWaalsContact O-N 3.08Å; G686-S690 PolarHBondContact O-OG 3.27Å; I687-S690 PolarHBondContact O-N 3.39Å; S690-G695 PolarHBondContact O-N 3.27Å
691	A	94.4	Very high	94.7	Very high	47 Å²	47	19.9 Å²	19.9	39%	0.388	13%	0.133	S	C	.	.	H	α-helix	trans	-66.8	-45.5	172.3	0	0	0	0	0	111.4	I687 A693 G694 V697	I687-A691 WeakPolarHBondContact O-CB 3.39Å; I687-A691 PolarHBondContact O-N 2.83Å; A691-A693 PolarHBondContact O-N 3.42Å; A691-G694 PolarHBondContact O-N 2.98Å; A691-V697 HydrophobicContact CB-CG2 3.93Å
692	S	95.1	Very high	94.9	Very high	88 Å²	88	17.2 Å²	17.2	62%	0.615	12%	0.116	S	C	*	.	H	α-helix	trans	-62.7	-30.4	178.5	-60.2	0	0	0	0	112.9	E688 G694	E688-S692 WeakPolarHBondContact O-CB 3.4Å; E688-S692 PolarHBondContact O-N 2.81Å; E688-S692 PolarHBondContact O-OG 3.19Å; S692-G694 VanDerWaalsContact C-N 3.25Å; S692-G694 PolarHBondContact O-N 3.21Å
693	A	94.3	Very high	95.2	Very high	25 Å²	25	17.2 Å²	17.2	21%	0.207	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.4	172.6	0	0	0	0	0	113.7	C660 K664 A689 A691	C660-A693 HydrophobicContact CB-CB 4.04Å; C660-A693 WeakPolarHBondContact O-CB 3.37Å; K664-A693 HydrophobicContact CB-CB 3.99Å; K664-A693 WeakPolarHBondContact CG-O 3.2Å; A689-A693 WeakPolarHBondContact O-CB 3.38Å; A689-A693 PolarHBondContact O-N 2.86Å; A689-A693 VanDerWaalsContact O-N 3.12Å; A691-A693 PolarHBondContact O-N 3.42Å
694	G	94.4	Very high	95.3	Very high	41 Å²	41	17.2 Å²	17.2	42%	0.423	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	28.4	-173.5	0	0	0	0	0	114.1	K664 A691 S692	K664-G694 VanDerWaalsContact CE-O 3.29Å; K664-G694 WeakPolarHBondContact CE-O 3.48Å; A691-G694 PolarHBondContact O-N 2.98Å; S692-G694 VanDerWaalsContact C-N 3.25Å; S692-G694 PolarHBondContact O-N 3.21Å
695	G	94.5	Very high	95.2	Very high	2 Å²	2	14.2 Å²	14.2	2%	0.021	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-89.8	160.7	172.6	0	0	0	0	0	113.4	S690 V697	S690-G695 PolarHBondContact O-N 3.27Å; G695-V697 PolarHBondContact O-N 2.94Å
696	V	97.7	Very high	95.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.4	162.9	-174.9	0	0	0	0	107.6	F542 A547 F550 D669 V670 F671 H733 I734	F542-V696 HydrophobicContact CD1-CG2 4.37Å; F542-V696 HydrophobicContact CD2-CG2 3.65Å; F542-V696 HydrophobicContact CE1-CG2 4.19Å; F542-V696 HydrophobicContact CE2-CG2 3.49Å; F542-V696 VanDerWaalsContact CE2-CG2 3.49Å; F542-V696 HydrophobicContact CG-CG2 4.12Å; F542-V696 HydrophobicContact CZ-CG2 3.78Å; A547-V696 HydrophobicContact CB-CG2 4.11Å; F550-V696 HydrophobicContact CD1-CB 4.44Å; F550-V696 HydrophobicContact CD1-CG1 3.96Å; F550-V696 HydrophobicContact CD1-CG2 3.66Å; F550-V696 HydrophobicContact CE1-CG1 4.22Å; F550-V696 HydrophobicContact CE1-CG2 4.1Å; F550-V696 HydrophobicContact CG-CG2 4.37Å; D669-V696 PolarHBondContact O-N 2.88Å; V670-V696 WeakPolarHBondContact CA-O 3.13Å; V670-V696 HydrophobicContact CG2-CB 4.19Å; F671-V696 PolarHBondContact N-O 3.39Å; V696-H733 HydrophobicContact CG1-CB 4.06Å; V696-I734 HydrophobicContact CG1-CD1 4.01Å; V696-I734 HydrophobicContact CG1-CG1 4.32Å
697	V	97.7	Very high	95.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	120.4	177.4	-171.5	0	0	0	0	110.1	V673 I687 A691 G695 T732 H733 I734	V673-V697 HydrophobicContact CG2-CG1 4.06Å; I687-V697 HydrophobicContact CB-CG1 4.19Å; I687-V697 HydrophobicContact CG1-CG1 3.92Å; I687-V697 HydrophobicContact CG2-CG1 4.14Å; A691-V697 HydrophobicContact CB-CG2 3.93Å; G695-V697 PolarHBondContact O-N 2.94Å; V697-T732 PolarHBondContact O-OG1 2.82Å; V697-H733 PolarHBondContact N-ND1 3.4Å; V697-H733 WeakPolarHBondContact O-CB 3.4Å; V697-H733 PolarHBondContact O-N 2.86Å; V697-I734 PolarHBondContact O-N 3.21Å
698	E	97.9	Very high	95.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	89.5	172.1	179.2	176.3	126.6	0	0	108.7	V670 F671 R672 V673 I734 C736 H766	V670-E698 HydrophobicContact CG1-CB 4.01Å; F671-E698 PolarHBondContact O-N 3.12Å; R672-E698 CarbonylContact C-O 3.51Å; R672-E698 VanDerWaalsContact CA-O 3.25Å; R672-E698 WeakPolarHBondContact CA-O 3.45Å; R672-E698 IonicContact CZ-OE1 3.92Å; R672-E698 VanDerWaalsContact CZ-OE1 3.27Å; R672-E698 IonicContact NE-OE1 3.98Å; R672-E698 PolarHBondContact NE-OE1 2.8Å; R672-E698 IonicContact NH2-OE1 3.38Å; R672-E698 PolarHBondContact NH2-OE1 2.85Å; V673-E698 PolarHBondContact N-O 3.03Å; E698-I734 WeakPolarHBondContact CA-O 3.48Å; E698-I734 HydrophobicContact CB-CB 4.12Å; E698-I734 HydrophobicContact CB-CG2 4.47Å; E698-I734 HydrophobicContact CG-CB 4.03Å; E698-I734 HydrophobicContact CG-CG2 3.86Å; E698-C736 HydrophobicContact CG-CB 3.57Å; E698-C736 WeakPolarHBondContact OE1-CB 3.33Å; E698-H766 IonicContact OE1-CE1 2.7Å; E698-H766 IonicContact OE1-CG 3.85Å; E698-H766 IonicContact OE1-ND1 2.72Å; E698-H766 PolarHBondContact OE1-ND1 3.11Å; E698-H766 IonicContact OE2-CE1 3.85Å; E698-H766 IonicContact OE2-CG 2.66Å; E698-H766 IonicContact OE2-ND1 3.78Å; E698-H766 PolarHBondContact OE2-ND1 3.21Å
699	A	97.3	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	130.5	175.9	0	0	0	0	0	110.8	I687 I727 T732 I734 C736	I687-A699 HydrophobicContact CD1-CB 3.82Å; I687-A699 HydrophobicContact CG1-CB 4.14Å; A699-I727 HydrophobicContact CB-CG2 3.44Å; A699-I727 VanDerWaalsContact CB-CG2 3.44Å; A699-T732 HydrophobicContact CB-CG2 4.4Å; A699-T732 VanDerWaalsContact CB-OG1 3.31Å; A699-T732 WeakPolarHBondContact CB-OG1 3.43Å; A699-T732 PolarHBondContact N-OG1 3.41Å; A699-I734 PolarHBondContact N-O 3.36Å; A699-C736 PolarHBondContact O-N 3.13Å
700	A	97	Very high	94.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.8	-169.5	0	0	0	0	0	113	R672 V673 F674 C736 K738	R672-A700 HydrophobicContact CG-CB 4.06Å; V673-A700 PolarHBondContact O-N 3.2Å; F674-A700 HydrophobicContact CB-CB 4.01Å; A700-C736 CarbonylContact C-O 3.59Å; A700-C736 WeakPolarHBondContact CA-O 3.46Å; A700-C736 HydrophobicContact CB-CB 3.73Å; A700-K738 HydrophobicContact CB-CB 4.36Å
701	I	96.9	Very high	94.6	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.3	168.1	-68.7	179.5	0	0	0	108.3	Y703 Y720 L723 A724 I727 L735 C736 K738	I701-Y703 PolarHBondContact O-N 3.48Å; I701-Y720 HydrophobicContact CG2-CD1 3.48Å; I701-Y720 VanDerWaalsContact CG2-CD1 3.48Å; I701-Y720 HydrophobicContact CG2-CE1 3.77Å; I701-L723 HydrophobicContact CB-CD2 4.38Å; I701-L723 HydrophobicContact CD1-CD2 4.37Å; I701-L723 HydrophobicContact CD1-CG 4.35Å; I701-L723 HydrophobicContact CG1-CD2 3.89Å; I701-L723 HydrophobicContact CG1-CG 4.14Å; I701-L723 HydrophobicContact CG2-CD2 4.04Å; I701-A724 HydrophobicContact CD1-CB 4.06Å; I701-I727 HydrophobicContact CD1-CD1 4.21Å; I701-I727 HydrophobicContact CG1-CD1 3.51Å; I701-L735 HydrophobicContact CD1-CD1 4.01Å; I701-L735 HydrophobicContact CG1-CD1 4.24Å; I701-C736 PolarHBondContact N-O 2.95Å; I701-K738 PolarHBondContact O-N 2.82Å
702	S	95.9	Very high	94.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.7	170.9	-53	0	0	0	0	109.7	D675 N678 K738 I902	D675-S702 PolarHBondContact O-OG 3.4Å; N678-S702 PolarHBondContact ND2-O 3.05Å; N678-S702 WeakPolarHBondContact OD1-CB 3.4Å; N678-S702 PolarHBondContact OD1-N 2.88Å; N678-S702 PolarHBondContact OD1-OG 3.24Å; S702-K738 WeakPolarHBondContact CA-O 3.43Å; S702-I902 VanDerWaalsContact CB-CG2 3.49Å
703	Y	96.4	Very high	93.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.177	C	C	.	.			trans	-96.9	134	-175.7	179.6	-89.6	0	0	0	112.1	I701 G705 D706 V707 Y720 K738 D739 M740 L743 L744 L752	I701-Y703 PolarHBondContact O-N 3.48Å; Y703-G705 WeakPolarHBondContact CE1-O 3.42Å; Y703-G705 PolarHBondContact OH-O 3.22Å; Y703-D706 WeakPolarHBondContact OH-CA 3.4Å; Y703-V707 HydrophobicContact CE2-CG1 4.13Å; Y703-V707 PolarHBondContact OH-N 2.91Å; Y703-Y720 HydrophobicContact CD2-CE1 4.08Å; Y703-Y720 AromaticContact CD2-CE2 3.93Å; Y703-Y720 HydrophobicContact CD2-CE2 3.93Å; Y703-Y720 AromaticContact CD2-CZ 3.6Å; Y703-Y720 AromaticContact CE2-CE2 3.88Å; Y703-Y720 HydrophobicContact CE2-CE2 3.88Å; Y703-K738 PolarHBondContact N-O 2.98Å; Y703-D739 HydrophobicContact CD1-CB 4.25Å; Y703-M740 WeakPolarHBondContact O-CE 3.36Å; Y703-L743 HydrophobicContact CD1-CB 4.11Å; Y703-L743 HydrophobicContact CE1-CB 3.86Å; Y703-L744 HydrophobicContact CD1-CB 4.25Å; Y703-L744 HydrophobicContact CD1-CD1 4.43Å; Y703-L744 HydrophobicContact CD2-CD1 4.18Å; Y703-L744 HydrophobicContact CE1-CB 4.09Å; Y703-L744 HydrophobicContact CE1-CD1 4.01Å; Y703-L744 HydrophobicContact CE2-CD1 3.7Å; Y703-L752 HydrophobicContact CD2-CD2 3.79Å; Y703-L752 HydrophobicContact CE2-CD2 3.88Å
704	T	95	Very high	93.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.			trans	-147.5	157.2	176.7	-163.5	0	0	0	0	111.1	Y715 Y720 E862 I902	T704-Y715 HydrophobicContact CG2-CD1 3.85Å; T704-Y715 HydrophobicContact CG2-CD2 3.54Å; T704-Y715 HydrophobicContact CG2-CE1 3.95Å; T704-Y715 HydrophobicContact CG2-CE2 3.63Å; T704-Y715 HydrophobicContact CG2-CG 3.64Å; T704-Y715 WeakPolarHBondContact O-CB 3.37Å; T704-Y720 PolarHBondContact N-OH 3.06Å; T704-Y720 PolarHBondContact O-OH 3.37Å; T704-E862 PolarHBondContact OG1-OE2 2.84Å; T704-I902 HydrophobicContact CG2-CG1 3.74Å
705	G	91.1	Very high	93.4	Very high	4 Å²	4	28 Å²	28	4%	0.041	16%	0.163	C	C	.	.	S	Bend	trans	71.7	-150.3	-174.4	0	0	0	0	0	113.6	Y703	Y703-G705 WeakPolarHBondContact CE1-O 3.42Å; Y703-G705 PolarHBondContact OH-O 3.22Å
706	D	93.7	Very high	93.4	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.048	18%	0.177	C	C	.	.			trans	-149.1	104.7	-175.1	-173	-9.8	0	0	0	111.9	Y703 S708 D709 K745	Y703-D706 WeakPolarHBondContact OH-CA 3.4Å; D706-S708 PolarHBondContact O-N 2.71Å; D706-S708 VanDerWaalsContact O-N 3.1Å; D706-S708 WeakPolarHBondContact OD1-CA 3.43Å; D706-S708 VanDerWaalsContact OD1-CB 3.3Å; D706-S708 WeakPolarHBondContact OD1-CB 3.41Å; D706-S708 PolarHBondContact OD1-N 3.32Å; D706-S708 PolarHBondContact OD1-OG 2.83Å; D706-D709 HydrophobicContact CB-CB 3.97Å; D706-D709 PolarHBondContact O-N 3.03Å; D706-D709 VanDerWaalsContact O-N 3.17Å; D706-K745 WeakPolarHBondContact OD2-CD 3.38Å; D706-K745 WeakPolarHBondContact OD2-CE 3.5Å; D706-K745 IonicContact OD2-NZ 3.82Å; D706-K745 PolarHBondContact OD2-NZ 3.17Å
707	V	94.5	Very high	93.3	Very high	20 Å²	20	33.2 Å²	33.2	12%	0.121	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-7.2	177.3	-61.1	0	0	0	0	114	Y703 Y720 A748 I751 L752	Y703-V707 HydrophobicContact CE2-CG1 4.13Å; Y703-V707 PolarHBondContact OH-N 2.91Å; V707-Y720 HydrophobicContact CG1-CD2 3.5Å; V707-Y720 HydrophobicContact CG1-CE2 3.53Å; V707-A748 HydrophobicContact CG2-CB 3.79Å; V707-I751 HydrophobicContact CG2-CG2 4.37Å; V707-L752 HydrophobicContact CG2-CB 4.27Å
708	S	93.6	Very high	93.1	Very high	19 Å²	19	40.9 Å²	40.9	13%	0.133	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.4	177.1	80.7	0	0	0	0	114.1	D706 K747	D706-S708 PolarHBondContact O-N 2.71Å; D706-S708 VanDerWaalsContact O-N 3.1Å; D706-S708 WeakPolarHBondContact OD1-CA 3.43Å; D706-S708 VanDerWaalsContact OD1-CB 3.3Å; D706-S708 WeakPolarHBondContact OD1-CB 3.41Å; D706-S708 PolarHBondContact OD1-N 3.32Å; D706-S708 PolarHBondContact OD1-OG 2.83Å; S708-K747 PolarHBondContact O-NZ 3.33Å; S708-K747 VanDerWaalsContact O-NZ 3.09Å
709	D	92.2	Very high	93	Very high	57 Å²	57	42.1 Å²	42.1	31%	0.305	23%	0.228	S	C	.	.			trans	-108.5	109	176	178.2	-5.8	0	0	0	110.5	D706 S711 R712	D706-D709 HydrophobicContact CB-CB 3.97Å; D706-D709 PolarHBondContact O-N 3.03Å; D706-D709 VanDerWaalsContact O-N 3.17Å; D709-S711 PolarHBondContact O-N 2.69Å; D709-S711 VanDerWaalsContact O-N 3.09Å; D709-S711 VanDerWaalsContact OD1-CB 3.32Å; D709-S711 WeakPolarHBondContact OD1-CB 3.5Å; D709-S711 PolarHBondContact OD1-N 3.08Å; D709-S711 PolarHBondContact OD1-OG 2.88Å; D709-S711 PolarHBondContact OD2-OG 3.3Å; D709-R712 HydrophobicContact CB-CG 4.26Å; D709-R712 PolarHBondContact O-N 3.08Å; D709-R712 VanDerWaalsContact O-N 3.15Å
710	P	88.3	Confident	93	Very high	125 Å²	125	42.1 Å²	42.1	81%	0.812	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.8	-177.5	30.1	-35.8	0	0	0	114.4
711	S	89	Confident	93	Very high	89 Å²	89	43.6 Å²	43.6	62%	0.622	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-19.8	172.9	74.6	0	0	0	0	113.4	D709 T713	D709-S711 PolarHBondContact O-N 2.69Å; D709-S711 VanDerWaalsContact O-N 3.09Å; D709-S711 VanDerWaalsContact OD1-CB 3.32Å; D709-S711 WeakPolarHBondContact OD1-CB 3.5Å; D709-S711 PolarHBondContact OD1-N 3.08Å; D709-S711 PolarHBondContact OD1-OG 2.88Å; D709-S711 PolarHBondContact OD2-OG 3.3Å; S711-T713 VanDerWaalsContact C-N 3.34Å; S711-T713 PolarHBondContact O-N 3.39Å; S711-T713 VanDerWaalsContact O-N 3.09Å
712	R	84.3	Confident	92.9	Very high	69 Å²	69	46.3 Å²	46.3	26%	0.26	25%	0.254	S	S	.	.			trans	-86	64.1	-178.1	-73.5	-74.8	-161.6	131.8	15	112.2	D709 K714 E862	D709-R712 HydrophobicContact CB-CG 4.26Å; D709-R712 PolarHBondContact O-N 3.08Å; D709-R712 VanDerWaalsContact O-N 3.15Å; R712-K714 VanDerWaalsContact C-N 3.3Å; R712-K714 PolarHBondContact O-N 3.11Å; R712-E862 IonicContact CZ-OE1 2.7Å; R712-E862 IonicContact NH1-OE1 3.92Å; R712-E862 PolarHBondContact NH1-OE1 2.83Å; R712-E862 IonicContact NH2-OE1 2.84Å; R712-E862 PolarHBondContact NH2-OE1 2.88Å
713	T	86	Confident	92.9	Very high	115 Å²	115	46.6 Å²	46.6	71%	0.706	26%	0.256	S	S	*	.			trans	-68.4	-13.9	-171.4	55.3	0	0	0	0	116.7	S711	S711-T713 VanDerWaalsContact C-N 3.34Å; S711-T713 PolarHBondContact O-N 3.39Å; S711-T713 VanDerWaalsContact O-N 3.09Å
714	K	89.4	Confident	92.9	Very high	74 Å²	74	46.6 Å²	46.6	32%	0.322	26%	0.256	S	S	.	.	S	Bend	trans	-76.4	-48.8	177.3	-94.9	-175.4	170	175.5	0	113.4	R712 G899 D900 Y954	R712-K714 VanDerWaalsContact C-N 3.3Å; R712-K714 PolarHBondContact O-N 3.11Å; K714-G899 PolarHBondContact NZ-O 3.39Å; K714-D900 HydrophobicContact CD-CB 4.38Å; K714-Y954 HydrophobicContact CB-CE2 4.2Å; K714-Y954 HydrophobicContact CD-CD2 4.11Å; K714-Y954 HydrophobicContact CG-CD2 4.12Å; K714-Y954 HydrophobicContact CG-CE2 4.16Å; K714-Y954 PolarHBondContact O-OH 3.1Å
715	Y	93.8	Very high	93	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.016	26%	0.264	C	S	.	.	S	Bend	trans	-110.3	57.1	-174.2	-66.9	-69	0	0	0	109.2	T704 Y719 Y720 D900 I902 Y954	T704-Y715 HydrophobicContact CG2-CD1 3.85Å; T704-Y715 HydrophobicContact CG2-CD2 3.54Å; T704-Y715 HydrophobicContact CG2-CE1 3.95Å; T704-Y715 HydrophobicContact CG2-CE2 3.63Å; T704-Y715 HydrophobicContact CG2-CG 3.64Å; T704-Y715 WeakPolarHBondContact O-CB 3.37Å; Y715-Y719 AromaticContact CD1-CD1 3.76Å; Y715-Y719 HydrophobicContact CD1-CD1 3.76Å; Y715-Y719 AromaticContact CD1-CE1 3.61Å; Y715-Y719 HydrophobicContact CD1-CE1 3.61Å; Y715-Y719 HydrophobicContact CD1-CG 4.3Å; Y715-Y719 HydrophobicContact CE1-CD1 4.47Å; Y715-Y719 AromaticContact CE1-CE1 3.97Å; Y715-Y719 HydrophobicContact CE1-CE1 3.97Å; Y715-Y719 HydrophobicContact CE1-CE2 4.41Å; Y715-Y719 AromaticContact CE1-CZ 3.95Å; Y715-Y720 WeakPolarHBondContact O-CE2 3.48Å; Y715-D900 WeakPolarHBondContact CE2-O 3.19Å; Y715-D900 PolarHBondContact OH-O 3.36Å; Y715-I902 HydrophobicContact CE1-CD1 4.05Å; Y715-I902 HydrophobicContact CE1-CG1 4Å; Y715-Y954 HydrophobicContact CE1-CE2 4.22Å
716	D	94	Very high	93.2	Very high	61 Å²	61	52.2 Å²	52.2	33%	0.326	28%	0.282	S	S	.	.			trans	-82.1	177.4	-178.7	84	-26.1	0	0	0	111.9	K718 Y719 Y720	D716-K718 PolarHBondContact O-N 3.13Å; D716-K718 WeakPolarHBondContact OD1-CB 3.22Å; D716-K718 PolarHBondContact OD1-N 3.27Å; D716-K718 VanDerWaalsContact OD1-N 3.12Å; D716-K718 WeakPolarHBondContact OD2-CB 3.35Å; D716-Y719 PolarHBondContact O-N 2.94Å; D716-Y719 PolarHBondContact OD1-N 3.28Å; D716-Y720 WeakPolarHBondContact O-CD2 3.44Å; D716-Y720 PolarHBondContact O-N 3.29Å
717	L	94.6	Very high	93.3	Very high	50 Å²	50	51.8 Å²	51.8	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-33.5	177.8	-176.3	61.1	0	0	0	112.3	Y720 L721 I751 L752 A755	L717-Y720 PolarHBondContact O-N 3.42Å; L717-L721 HydrophobicContact CD1-CD1 4.46Å; L717-L721 HydrophobicContact CD1-CG 4.3Å; L717-L721 HydrophobicContact CG-CD1 4.04Å; L717-L721 HydrophobicContact CG-CG 4.31Å; L717-L721 WeakPolarHBondContact O-CG 3.31Å; L717-L721 PolarHBondContact O-N 3.04Å; L717-I751 HydrophobicContact CD1-CG2 4.32Å; L717-I751 HydrophobicContact CD2-CG2 3.92Å; L717-L752 HydrophobicContact CD1-CD1 3.82Å; L717-A755 HydrophobicContact CD1-CB 4.06Å; L717-A755 HydrophobicContact CD2-CB 4.14Å
718	K	94.7	Very high	93.3	Very high	161 Å²	161	52.8 Å²	52.8	70%	0.7	29%	0.286	S	S	*	.	H	α-helix	trans	-67	-41	-178.9	-174.2	-173.8	173.8	-172.5	0	111.7	D716 Y720 L721 S722	D716-K718 PolarHBondContact O-N 3.13Å; D716-K718 WeakPolarHBondContact OD1-CB 3.22Å; D716-K718 PolarHBondContact OD1-N 3.27Å; D716-K718 VanDerWaalsContact OD1-N 3.12Å; D716-K718 WeakPolarHBondContact OD2-CB 3.35Å; K718-Y720 VanDerWaalsContact C-N 3.34Å; K718-Y720 PolarHBondContact O-N 3.32Å; K718-L721 PolarHBondContact O-N 3.19Å; K718-S722 WeakPolarHBondContact O-CB 3.45Å; K718-S722 PolarHBondContact O-N 2.87Å
719	Y	95.7	Very high	93.4	Very high	25 Å²	25	59.6 Å²	59.6	10%	0.098	32%	0.316	C	S	.	.	H	α-helix	trans	-53.7	-50.7	172.9	167.7	-98.8	0	0	0	111.2	N678 Y715 D716 S722 L723 P953 Y954	N678-Y719 WeakPolarHBondContact CB-OH 3.14Å; N678-Y719 PolarHBondContact ND2-OH 2.88Å; N678-Y719 VanDerWaalsContact ND2-OH 3.1Å; Y715-Y719 AromaticContact CD1-CD1 3.76Å; Y715-Y719 HydrophobicContact CD1-CD1 3.76Å; Y715-Y719 AromaticContact CD1-CE1 3.61Å; Y715-Y719 HydrophobicContact CD1-CE1 3.61Å; Y715-Y719 HydrophobicContact CD1-CG 4.3Å; Y715-Y719 HydrophobicContact CE1-CD1 4.47Å; Y715-Y719 AromaticContact CE1-CE1 3.97Å; Y715-Y719 HydrophobicContact CE1-CE1 3.97Å; Y715-Y719 HydrophobicContact CE1-CE2 4.41Å; Y715-Y719 AromaticContact CE1-CZ 3.95Å; D716-Y719 PolarHBondContact O-N 2.94Å; D716-Y719 PolarHBondContact OD1-N 3.28Å; Y719-S722 PolarHBondContact O-N 3.03Å; Y719-L723 HydrophobicContact CE1-CD2 4.4Å; Y719-L723 WeakPolarHBondContact O-CB 3.29Å; Y719-L723 PolarHBondContact O-N 3.16Å; Y719-P953 HydrophobicContact CE2-CB 4.01Å; Y719-P953 HydrophobicContact CE2-CG 4.21Å; Y719-Y954 WeakPolarHBondContact CD2-OH 2.92Å
720	Y	96.5	Very high	93.4	Very high	1 Å²	1	58 Å²	58	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-68	-37.1	-178.1	-68.6	-63.3	0	0	0	113.6	I701 Y703 T704 V707 Y715 D716 L717 K718 A724 L752	I701-Y720 HydrophobicContact CG2-CD1 3.48Å; I701-Y720 VanDerWaalsContact CG2-CD1 3.48Å; I701-Y720 HydrophobicContact CG2-CE1 3.77Å; Y703-Y720 HydrophobicContact CD2-CE1 4.08Å; Y703-Y720 AromaticContact CD2-CE2 3.93Å; Y703-Y720 HydrophobicContact CD2-CE2 3.93Å; Y703-Y720 AromaticContact CD2-CZ 3.6Å; Y703-Y720 AromaticContact CE2-CE2 3.88Å; Y703-Y720 HydrophobicContact CE2-CE2 3.88Å; T704-Y720 PolarHBondContact N-OH 3.06Å; T704-Y720 PolarHBondContact O-OH 3.37Å; V707-Y720 HydrophobicContact CG1-CD2 3.5Å; V707-Y720 HydrophobicContact CG1-CE2 3.53Å; Y715-Y720 WeakPolarHBondContact O-CE2 3.48Å; D716-Y720 WeakPolarHBondContact O-CD2 3.44Å; D716-Y720 PolarHBondContact O-N 3.29Å; L717-Y720 PolarHBondContact O-N 3.42Å; K718-Y720 VanDerWaalsContact C-N 3.34Å; K718-Y720 PolarHBondContact O-N 3.32Å; Y720-A724 WeakPolarHBondContact O-CB 3.34Å; Y720-A724 PolarHBondContact O-N 2.99Å; Y720-L752 HydrophobicContact CD2-CD1 4.38Å; Y720-L752 HydrophobicContact CG-CD1 4.18Å
721	L	96.6	Very high	93.6	Very high	31 Å²	31	54.1 Å²	54.1	16%	0.162	29%	0.293	C	S	.	.	H	α-helix	trans	-68.7	-38.4	175.1	-66	177.7	0	0	0	112.3	L717 K718 A724 D725 A755 L756	L717-L721 HydrophobicContact CD1-CD1 4.46Å; L717-L721 HydrophobicContact CD1-CG 4.3Å; L717-L721 HydrophobicContact CG-CD1 4.04Å; L717-L721 HydrophobicContact CG-CG 4.31Å; L717-L721 WeakPolarHBondContact O-CG 3.31Å; L717-L721 PolarHBondContact O-N 3.04Å; K718-L721 PolarHBondContact O-N 3.19Å; L721-A724 PolarHBondContact O-N 3.34Å; L721-D725 VanDerWaalsContact O-CG 3.3Å; L721-D725 PolarHBondContact O-N 2.85Å; L721-A755 HydrophobicContact CD1-CB 4.44Å; L721-A755 HydrophobicContact CD2-CB 4.16Å; L721-L756 HydrophobicContact CD2-CD2 3.77Å; L721-L756 HydrophobicContact CD2-CG 4.13Å
722	S	96.3	Very high	94	Very high	58 Å²	58	50.5 Å²	50.5	41%	0.406	27%	0.268	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175.6	-168.4	0	0	0	0	111.8	K718 Y719 A724 D725 E726	K718-S722 WeakPolarHBondContact O-CB 3.45Å; K718-S722 PolarHBondContact O-N 2.87Å; Y719-S722 PolarHBondContact O-N 3.03Å; S722-A724 VanDerWaalsContact C-N 3.31Å; S722-A724 PolarHBondContact O-N 2.92Å; S722-D725 WeakPolarHBondContact O-CB 3.5Å; S722-D725 PolarHBondContact O-N 3.07Å; S722-D725 VanDerWaalsContact O-N 3.15Å; S722-E726 PolarHBondContact O-N 2.84Å
723	L	95.4	Very high	94.6	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-65.6	-35.3	176.3	179.2	63.7	0	0	0	111.8	N678 M680 I701 Y719 D725 E726 I727	N678-L723 HydrophobicContact CB-CD1 4.41Å; N678-L723 HydrophobicContact CB-CD2 3.62Å; N678-L723 WeakPolarHBondContact ND2-CD2 3.33Å; M680-L723 HydrophobicContact CG-CD1 3.89Å; M680-L723 HydrophobicContact SD-CD1 3.84Å; I701-L723 HydrophobicContact CB-CD2 4.38Å; I701-L723 HydrophobicContact CD1-CD2 4.37Å; I701-L723 HydrophobicContact CD1-CG 4.35Å; I701-L723 HydrophobicContact CG1-CD2 3.89Å; I701-L723 HydrophobicContact CG1-CG 4.14Å; I701-L723 HydrophobicContact CG2-CD2 4.04Å; Y719-L723 HydrophobicContact CE1-CD2 4.4Å; Y719-L723 WeakPolarHBondContact O-CB 3.29Å; Y719-L723 PolarHBondContact O-N 3.16Å; L723-D725 VanDerWaalsContact C-N 3.35Å; L723-E726 PolarHBondContact O-N 3.49Å; L723-I727 HydrophobicContact CD1-CD1 4.15Å; L723-I727 HydrophobicContact CD1-CG1 4.41Å; L723-I727 HydrophobicContact CG-CD1 3.92Å; L723-I727 WeakPolarHBondContact O-CB 3.4Å; L723-I727 VanDerWaalsContact O-CG1 3.3Å; L723-I727 WeakPolarHBondContact O-CG1 3.46Å; L723-I727 PolarHBondContact O-N 3Å
724	A	96.3	Very high	95.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-38.1	171.7	0	0	0	0	0	112.1	I701 Y720 L721 S722 E726 I727 V728 L735 L756 Y760	I701-A724 HydrophobicContact CD1-CB 4.06Å; Y720-A724 WeakPolarHBondContact O-CB 3.34Å; Y720-A724 PolarHBondContact O-N 2.99Å; L721-A724 PolarHBondContact O-N 3.34Å; S722-A724 VanDerWaalsContact C-N 3.31Å; S722-A724 PolarHBondContact O-N 2.92Å; A724-E726 VanDerWaalsContact C-N 3.34Å; A724-E726 PolarHBondContact O-N 2.9Å; A724-I727 PolarHBondContact O-N 3.04Å; A724-V728 WeakPolarHBondContact O-CB 3.33Å; A724-V728 VanDerWaalsContact O-CG2 3.31Å; A724-V728 WeakPolarHBondContact O-CG2 3.13Å; A724-V728 PolarHBondContact O-N 2.91Å; A724-L735 HydrophobicContact CB-CD2 4.05Å; A724-L756 HydrophobicContact CB-CD2 3.52Å; A724-Y760 HydrophobicContact CB-CE2 4.27Å
725	D	96.9	Very high	95.6	Very high	32 Å²	32	39.8 Å²	39.8	17%	0.171	21%	0.213	C	C	.	.	H	α-helix	trans	-57.5	-46.5	174.1	-64.1	-44.1	0	0	0	111.7	L721 S722 L723 Q729 R759 Y760	L721-D725 VanDerWaalsContact O-CG 3.3Å; L721-D725 PolarHBondContact O-N 2.85Å; S722-D725 WeakPolarHBondContact O-CB 3.5Å; S722-D725 PolarHBondContact O-N 3.07Å; S722-D725 VanDerWaalsContact O-N 3.15Å; L723-D725 VanDerWaalsContact C-N 3.35Å; D725-Q729 WeakPolarHBondContact O-CB 3.36Å; D725-Q729 VanDerWaalsContact O-CG 3.24Å; D725-Q729 WeakPolarHBondContact O-CG 3.29Å; D725-Q729 PolarHBondContact O-N 2.71Å; D725-Q729 VanDerWaalsContact O-N 3.1Å; D725-Q729 PolarHBondContact O-NE2 2.67Å; D725-R759 IonicContact OD1-CZ 3.64Å; D725-R759 IonicContact OD1-NE 3.8Å; D725-R759 PolarHBondContact OD1-NE 3.15Å; D725-R759 IonicContact OD1-NH2 3.77Å; D725-R759 PolarHBondContact OD1-NH2 2.67Å; D725-R759 IonicContact OD2-CZ 3.6Å; D725-R759 IonicContact OD2-NE 2.66Å; D725-R759 IonicContact OD2-NH2 3.63Å; D725-R759 PolarHBondContact OD2-NH2 3.38Å; D725-Y760 WeakPolarHBondContact CA-OH 3.38Å; D725-Y760 PolarHBondContact OD1-OH 3Å
726	E	95.8	Very high	95.8	Very high	89 Å²	89	39.6 Å²	39.6	42%	0.416	21%	0.213	S	C	.	.	H	α-helix	trans	-67.9	-40.1	179.4	-65.5	177	-110.6	0	0	112.1	M680 S722 L723 A724 Q729 A730	M680-E726 HydrophobicContact CE-CB 3.97Å; M680-E726 WeakPolarHBondContact CE-O 3.4Å; M680-E726 HydrophobicContact CG-CB 3.9Å; M680-E726 WeakPolarHBondContact CG-OE2 3.48Å; M680-E726 HydrophobicContact SD-CB 4.04Å; S722-E726 PolarHBondContact O-N 2.84Å; L723-E726 PolarHBondContact O-N 3.49Å; A724-E726 VanDerWaalsContact C-N 3.34Å; A724-E726 PolarHBondContact O-N 2.9Å; E726-Q729 PolarHBondContact O-N 2.81Å; E726-A730 WeakPolarHBondContact O-CB 3.29Å; E726-A730 PolarHBondContact O-N 2.9Å
727	I	95.9	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-39	177.9	-75.1	173	0	0	0	112.4	M680 L683 A699 I701 L723 A724 A730 T732 L735	M680-I727 HydrophobicContact CE-CG1 4.17Å; M680-I727 HydrophobicContact SD-CD1 4.42Å; M680-I727 HydrophobicContact SD-CG1 3.54Å; M680-I727 VanDerWaalsContact SD-CG1 3.54Å; L683-I727 HydrophobicContact CD1-CD1 4.18Å; L683-I727 HydrophobicContact CD1-CG1 4.35Å; A699-I727 HydrophobicContact CB-CG2 3.44Å; A699-I727 VanDerWaalsContact CB-CG2 3.44Å; I701-I727 HydrophobicContact CD1-CD1 4.21Å; I701-I727 HydrophobicContact CG1-CD1 3.51Å; L723-I727 HydrophobicContact CD1-CD1 4.15Å; L723-I727 HydrophobicContact CD1-CG1 4.41Å; L723-I727 HydrophobicContact CG-CD1 3.92Å; L723-I727 WeakPolarHBondContact O-CB 3.4Å; L723-I727 VanDerWaalsContact O-CG1 3.3Å; L723-I727 WeakPolarHBondContact O-CG1 3.46Å; L723-I727 PolarHBondContact O-N 3Å; A724-I727 PolarHBondContact O-N 3.04Å; I727-A730 PolarHBondContact O-N 3.09Å; I727-T732 HydrophobicContact CG2-CG2 3.72Å; I727-L735 HydrophobicContact CB-CD1 4.43Å; I727-L735 HydrophobicContact CG2-CD1 3.7Å
728	V	94.9	Very high	96.1	Very high	41 Å²	41	34.6 Å²	34.6	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-71.7	-37.8	177.3	175.2	0	0	0	0	110.9	A724 A730 G731 Y760 L763	A724-V728 WeakPolarHBondContact O-CB 3.33Å; A724-V728 VanDerWaalsContact O-CG2 3.31Å; A724-V728 WeakPolarHBondContact O-CG2 3.13Å; A724-V728 PolarHBondContact O-N 2.91Å; V728-A730 PolarHBondContact O-N 3.26Å; V728-G731 PolarHBondContact O-N 3.03Å; V728-Y760 HydrophobicContact CB-CE1 4.01Å; V728-Y760 HydrophobicContact CG1-CD1 4.18Å; V728-Y760 HydrophobicContact CG1-CE1 3.7Å; V728-Y760 HydrophobicContact CG2-CD1 4.24Å; V728-Y760 HydrophobicContact CG2-CD2 4.29Å; V728-Y760 HydrophobicContact CG2-CE1 3.97Å; V728-Y760 HydrophobicContact CG2-CE2 4Å; V728-Y760 HydrophobicContact CG2-CG 4.41Å; V728-L763 HydrophobicContact CG2-CD2 3.49Å; V728-L763 VanDerWaalsContact CG2-CD2 3.49Å
729	Q	94.6	Very high	96.2	Very high	162 Å²	162	26.9 Å²	26.9	76%	0.757	15%	0.153	S	C	*	.	H	α-helix	trans	-62.9	-30.5	171.8	-74.6	169.1	61.8	0	0	112.9	D725 E726 G731	D725-Q729 WeakPolarHBondContact O-CB 3.36Å; D725-Q729 VanDerWaalsContact O-CG 3.24Å; D725-Q729 WeakPolarHBondContact O-CG 3.29Å; D725-Q729 PolarHBondContact O-N 2.71Å; D725-Q729 VanDerWaalsContact O-N 3.1Å; D725-Q729 PolarHBondContact O-NE2 2.67Å; E726-Q729 PolarHBondContact O-N 2.81Å; Q729-G731 PolarHBondContact O-N 2.8Å
730	A	93.3	Very high	96.1	Very high	25 Å²	25	26 Å²	26	21%	0.207	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-3.6	173.4	0	0	0	0	0	114.4	M680 L684 I687 E726 I727 V728	M680-A730 HydrophobicContact CE-CB 4.09Å; L684-A730 HydrophobicContact CD1-CB 3.98Å; I687-A730 HydrophobicContact CD1-CB 3.96Å; I687-A730 VanDerWaalsContact CG2-O 3.29Å; I687-A730 WeakPolarHBondContact CG2-O 3.4Å; E726-A730 WeakPolarHBondContact O-CB 3.29Å; E726-A730 PolarHBondContact O-N 2.9Å; I727-A730 PolarHBondContact O-N 3.09Å; V728-A730 PolarHBondContact O-N 3.26Å
731	G	92	Very high	96	Very high	43 Å²	43	26 Å²	26	44%	0.443	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	37	173.4	0	0	0	0	0	115.3	V728 Q729	V728-G731 PolarHBondContact O-N 3.03Å; Q729-G731 PolarHBondContact O-N 2.8Å
732	T	96.1	Very high	95.9	Very high	13 Å²	13	24.7 Å²	24.7	8%	0.08	14%	0.144	C	C	.	.			trans	-67.5	145.2	170.3	-159.9	0	0	0	0	112.2	V697 A699 I727 I734 L763	V697-T732 PolarHBondContact O-OG1 2.82Å; A699-T732 HydrophobicContact CB-CG2 4.4Å; A699-T732 VanDerWaalsContact CB-OG1 3.31Å; A699-T732 WeakPolarHBondContact CB-OG1 3.43Å; A699-T732 PolarHBondContact N-OG1 3.41Å; I727-T732 HydrophobicContact CG2-CG2 3.72Å; T732-I734 WeakPolarHBondContact CG2-O 3.29Å; T732-I734 PolarHBondContact OG1-O 2.85Å; T732-L763 HydrophobicContact CG2-CD2 4.45Å
733	H	97.4	Very high	95.9	Very high	31 Å²	31	22.1 Å²	22.1	14%	0.144	13%	0.126	C	C	.	.	S	Bend	trans	-89.5	-28.1	175.9	-58	78.7	0	0	0	111.9	A547 A551 V696 V697 P764	A547-H733 VanDerWaalsContact CB-CD2 3.4Å; A547-H733 WeakPolarHBondContact CB-CD2 3.34Å; A547-H733 VanDerWaalsContact CB-NE2 3.29Å; A547-H733 WeakPolarHBondContact CB-NE2 3.35Å; A551-H733 HydrophobicContact CB-CB 4.22Å; A551-H733 WeakPolarHBondContact CB-O 2.96Å; V696-H733 HydrophobicContact CG1-CB 4.06Å; V697-H733 PolarHBondContact N-ND1 3.4Å; V697-H733 WeakPolarHBondContact O-CB 3.4Å; V697-H733 PolarHBondContact O-N 2.86Å; H733-P764 WeakPolarHBondContact O-CD 3.22Å
734	I	98.2	Very high	95.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.6	179.2	-57.7	-177.3	0	0	0	107	F550 F599 V696 V697 E698 A699 T732 P764 H766 I790	F550-I734 HydrophobicContact CE1-CD1 4.39Å; F599-I734 HydrophobicContact CE2-CD1 3.8Å; F599-I734 HydrophobicContact CZ-CD1 3.56Å; V696-I734 HydrophobicContact CG1-CD1 4.01Å; V696-I734 HydrophobicContact CG1-CG1 4.32Å; V697-I734 PolarHBondContact O-N 3.21Å; E698-I734 WeakPolarHBondContact CA-O 3.48Å; E698-I734 HydrophobicContact CB-CB 4.12Å; E698-I734 HydrophobicContact CB-CG2 4.47Å; E698-I734 HydrophobicContact CG-CB 4.03Å; E698-I734 HydrophobicContact CG-CG2 3.86Å; A699-I734 PolarHBondContact N-O 3.36Å; T732-I734 WeakPolarHBondContact CG2-O 3.29Å; T732-I734 PolarHBondContact OG1-O 2.85Å; I734-P764 HydrophobicContact CB-CB 4.39Å; I734-P764 HydrophobicContact CG1-CB 4.04Å; I734-P764 HydrophobicContact CG1-CG 4.32Å; I734-P764 HydrophobicContact CG2-CB 4.13Å; I734-H766 HydrophobicContact CG2-CB 3.87Å; I734-I790 HydrophobicContact CD1-CD1 4.34Å; I734-I790 HydrophobicContact CG2-CD1 4.44Å
735	L	98.2	Very high	95.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	172.2	-177.9	64.1	0	0	0	109.7	I701 A724 I727 L756 L763 P764 I765 H766	I701-L735 HydrophobicContact CD1-CD1 4.01Å; I701-L735 HydrophobicContact CG1-CD1 4.24Å; A724-L735 HydrophobicContact CB-CD2 4.05Å; I727-L735 HydrophobicContact CB-CD1 4.43Å; I727-L735 HydrophobicContact CG2-CD1 3.7Å; L735-L756 HydrophobicContact CD2-CD1 4.38Å; L735-L756 HydrophobicContact CD2-CD2 3.91Å; L735-L763 HydrophobicContact CB-CD2 3.75Å; L735-L763 HydrophobicContact CB-CG 4.4Å; L735-L763 HydrophobicContact CD2-CD2 4.49Å; L735-P764 PolarHBondContact N-O 3.43Å; L735-I765 WeakPolarHBondContact O-CA 3.38Å; L735-H766 PolarHBondContact O-N 3.29Å
736	C	98.2	Very high	95.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.3	176.6	175.8	0	0	0	0	112.1	E698 A699 A700 I701 H766	E698-C736 HydrophobicContact CG-CB 3.57Å; E698-C736 WeakPolarHBondContact OE1-CB 3.33Å; A699-C736 PolarHBondContact O-N 3.13Å; A700-C736 CarbonylContact C-O 3.59Å; A700-C736 WeakPolarHBondContact CA-O 3.46Å; A700-C736 HydrophobicContact CB-CB 3.73Å; I701-C736 PolarHBondContact N-O 2.95Å; C736-H766 CarbonylContact C-O 3.49Å; C736-H766 VanDerWaalsContact CA-O 3.22Å; C736-H766 WeakPolarHBondContact CA-O 3.32Å; C736-H766 HydrophobicContact CB-CB 4.43Å
737	I	98.1	Very high	95.8	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.6	164.2	-51.7	175.1	0	0	0	107.1	L752 V753 L756 H766 V767 H768	I737-L752 HydrophobicContact CD1-CD2 3.98Å; I737-L752 HydrophobicContact CD1-CG 4.06Å; I737-L752 HydrophobicContact CG2-CD2 4.08Å; I737-V753 HydrophobicContact CD1-CG2 3.88Å; I737-L756 HydrophobicContact CD1-CD1 3.7Å; I737-L756 HydrophobicContact CG1-CD1 4.14Å; I737-H766 PolarHBondContact N-O 3.02Å; I737-V767 HydrophobicContact CB-CG1 4.35Å; I737-V767 HydrophobicContact CB-CG2 4.49Å; I737-V767 HydrophobicContact CD1-CG2 4.13Å; I737-H768 PolarHBondContact O-N 3.01Å
738	K	97.1	Very high	95.8	Very high	5 Å²	5	27.9 Å²	27.9	2%	0.022	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	91.6	177.9	-173	167.2	-178.7	62.8	0	111.2	D569 L639 A700 I701 S702 Y703 M740 H768	D569-K738 IonicContact OD2-NZ 3.8Å; D569-K738 PolarHBondContact OD2-NZ 3.49Å; L639-K738 HydrophobicContact CD1-CD 4.14Å; A700-K738 HydrophobicContact CB-CB 4.36Å; I701-K738 PolarHBondContact O-N 2.82Å; S702-K738 WeakPolarHBondContact CA-O 3.43Å; Y703-K738 PolarHBondContact N-O 2.98Å; K738-M740 PolarHBondContact O-N 3.1Å; K738-H768 PolarHBondContact NZ-CD2 3Å; K738-H768 VanDerWaalsContact NZ-CD2 3.34Å; K738-H768 PolarHBondContact NZ-CE1 2.9Å; K738-H768 PolarHBondContact NZ-NE2 3.49Å
739	D	96.6	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.			trans	-81.4	84.6	165.6	170.8	23.4	0	0	0	110.1	Y703 A741 G742 L743 L744 H768 S769	Y703-D739 HydrophobicContact CD1-CB 4.25Å; D739-A741 PolarHBondContact O-N 2.93Å; D739-A741 PolarHBondContact OD1-N 3.3Å; D739-G742 PolarHBondContact OD1-N 3.44Å; D739-G742 VanDerWaalsContact OD2-C 3.23Å; D739-G742 WeakPolarHBondContact OD2-CA 3.19Å; D739-G742 PolarHBondContact OD2-N 2.87Å; D739-L743 VanDerWaalsContact CG-N 3.26Å; D739-L743 PolarHBondContact OD1-N 3.07Å; D739-L743 PolarHBondContact OD2-N 3.48Å; D739-L744 HydrophobicContact CB-CB 4.09Å; D739-L744 WeakPolarHBondContact OD2-CB 3.34Å; D739-L744 PolarHBondContact OD2-N 3.11Å; D739-H768 WeakPolarHBondContact CB-O 3.38Å; D739-H768 PolarHBondContact N-O 3.43Å; D739-S769 WeakPolarHBondContact O-CA 3.32Å; D739-S769 PolarHBondContact OD2-OG 3.2Å
740	M	93.9	Very high	96	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.025	12%	0.124	C	C	.	.	S	Bend	trans	-67.1	-3.2	-176.7	61.1	-88	169.8	0	0	115.2	Y703 K738 H770 P864 G865 I902 K903 V904	Y703-M740 WeakPolarHBondContact O-CE 3.36Å; K738-M740 PolarHBondContact O-N 3.1Å; M740-H770 VanDerWaalsContact C-CD2 3.46Å; M740-H770 PolarHBondContact O-CD2 3.05Å; M740-P864 HydrophobicContact CB-CB 4.34Å; M740-P864 HydrophobicContact CB-CG 4.47Å; M740-P864 HydrophobicContact CG-CB 4.26Å; M740-P864 HydrophobicContact CG-CG 3.87Å; M740-P864 WeakPolarHBondContact O-CA 3.41Å; M740-P864 VanDerWaalsContact O-CB 3.27Å; M740-P864 WeakPolarHBondContact O-CB 3.4Å; M740-G865 PolarHBondContact O-N 2.64Å; M740-I902 HydrophobicContact CE-CG2 4.2Å; M740-K903 WeakPolarHBondContact CE-O 3.41Å; M740-V904 HydrophobicContact CB-CB 4.44Å; M740-V904 HydrophobicContact CB-CG2 3.99Å; M740-V904 HydrophobicContact CG-CB 3.89Å; M740-V904 HydrophobicContact CG-CG2 4.01Å; M740-V904 HydrophobicContact SD-CB 4.07Å; M740-V904 HydrophobicContact SD-CG2 4.48Å
741	A	94.2	Very high	96.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.008	13%	0.128	C	C	.	.	S	Bend	trans	-131.3	-11.9	-172.4	0	0	0	0	0	115	D739 L743 T772 V858	D739-A741 PolarHBondContact O-N 2.93Å; D739-A741 PolarHBondContact OD1-N 3.3Å; A741-L743 HydrophobicContact CB-CD1 4.18Å; A741-L743 HydrophobicContact CB-CD2 4.46Å; A741-L743 HydrophobicContact CB-CG 3.93Å; A741-T772 WeakPolarHBondContact O-CB 3.37Å; A741-V858 HydrophobicContact CB-CG2 4.26Å; A741-V858 VanDerWaalsContact O-CG2 3.26Å; A741-V858 WeakPolarHBondContact O-CG2 3.32Å
742	G	95.1	Very high	96.4	Very high	5 Å²	5	22.3 Å²	22.3	5%	0.052	11%	0.108	C	C	.	.	S	Bend	trans	88.8	26.6	-177	0	0	0	0	0	113.9	D739 H770 Y859	D739-G742 PolarHBondContact OD1-N 3.44Å; D739-G742 VanDerWaalsContact OD2-C 3.23Å; D739-G742 WeakPolarHBondContact OD2-CA 3.19Å; D739-G742 PolarHBondContact OD2-N 2.87Å; G742-H770 WeakPolarHBondContact CA-O 3.42Å; G742-Y859 VanDerWaalsContact O-CE1 3.25Å; G742-Y859 WeakPolarHBondContact O-CE1 3.37Å; G742-Y859 PolarHBondContact O-OH 3.24Å
743	L	95.6	Very high	96.5	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	10%	0.104	C	C	.	.			trans	-82.9	-20.8	-176.7	-57.9	177.5	0	0	0	113.2	Y703 D739 A741 K745 V858 Y859 E862	Y703-L743 HydrophobicContact CD1-CB 4.11Å; Y703-L743 HydrophobicContact CE1-CB 3.86Å; D739-L743 VanDerWaalsContact CG-N 3.26Å; D739-L743 PolarHBondContact OD1-N 3.07Å; D739-L743 PolarHBondContact OD2-N 3.48Å; A741-L743 HydrophobicContact CB-CD1 4.18Å; A741-L743 HydrophobicContact CB-CD2 4.46Å; A741-L743 HydrophobicContact CB-CG 3.93Å; L743-K745 PolarHBondContact O-N 3.14Å; L743-V858 HydrophobicContact CD2-CG2 4.43Å; L743-V858 WeakPolarHBondContact CD2-O 3.36Å; L743-Y859 HydrophobicContact CD2-CD1 4.06Å; L743-E862 HydrophobicContact CD1-CB 4.04Å; L743-E862 HydrophobicContact CD1-CG 3.81Å; L743-E862 HydrophobicContact CD2-CB 4.45Å; L743-E862 HydrophobicContact CD2-CG 3.94Å
744	L	95.1	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.			trans	-76.3	85.3	-175.1	-171	69.4	0	0	0	110.7	Y703 D739 A748 A749 L752 V767 S779	Y703-L744 HydrophobicContact CD1-CB 4.25Å; Y703-L744 HydrophobicContact CD1-CD1 4.43Å; Y703-L744 HydrophobicContact CD2-CD1 4.18Å; Y703-L744 HydrophobicContact CE1-CB 4.09Å; Y703-L744 HydrophobicContact CE1-CD1 4.01Å; Y703-L744 HydrophobicContact CE2-CD1 3.7Å; D739-L744 HydrophobicContact CB-CB 4.09Å; D739-L744 WeakPolarHBondContact OD2-CB 3.34Å; D739-L744 PolarHBondContact OD2-N 3.11Å; L744-A748 HydrophobicContact CD1-CB 4.06Å; L744-A749 HydrophobicContact CD2-CB 4.21Å; L744-A749 HydrophobicContact CG-CB 4.07Å; L744-L752 HydrophobicContact CD1-CD2 4.21Å; L744-V767 HydrophobicContact CD2-CG1 3.99Å; L744-S779 WeakPolarHBondContact O-CB 3.19Å; L744-S779 PolarHBondContact O-OG 3.44Å
745	K	95.7	Very high	96.5	Very high	67 Å²	67	23.5 Å²	23.5	29%	0.291	12%	0.121	S	C	.	.			trans	-60.5	153.5	176.7	-61.8	169.6	-169.4	166.8	0	111.4	D706 L743 K747 A748 A749 Y859	D706-K745 WeakPolarHBondContact OD2-CD 3.38Å; D706-K745 WeakPolarHBondContact OD2-CE 3.5Å; D706-K745 IonicContact OD2-NZ 3.82Å; D706-K745 PolarHBondContact OD2-NZ 3.17Å; L743-K745 PolarHBondContact O-N 3.14Å; K745-K747 VanDerWaalsContact C-N 3.25Å; K745-K747 PolarHBondContact O-N 2.92Å; K745-K747 VanDerWaalsContact O-N 3.08Å; K745-A748 HydrophobicContact CB-CB 4.42Å; K745-A748 CarbonylContact O-C 3.51Å; K745-A748 WeakPolarHBondContact O-CA 3.28Å; K745-A748 WeakPolarHBondContact O-CB 3.35Å; K745-A748 PolarHBondContact O-N 3.5Å; K745-A749 PolarHBondContact O-N 3.01Å; K745-Y859 HydrophobicContact CD-CE1 4.47Å; K745-Y859 HydrophobicContact CG-CD1 4.48Å; K745-Y859 HydrophobicContact CG-CE1 3.8Å
746	P	96.2	Very high	96.5	Very high	49 Å²	49	23.5 Å²	23.5	32%	0.318	12%	0.121	S	C	.	.	H	α-helix	trans	-56.4	-31.6	-177.4	-27.7	35.2	0	0	0	115.3	K750 A778 S779 A782	P746-K750 PolarHBondContact O-N 2.68Å; P746-A778 HydrophobicContact CG-CB 3.99Å; P746-S779 WeakPolarHBondContact CD-OG 3.44Å; P746-A782 HydrophobicContact CB-CB 3.94Å
747	K	96.1	Very high	96.4	Very high	132 Å²	132	24.9 Å²	24.9	57%	0.574	13%	0.127	S	C	*	.	H	α-helix	trans	-69.3	-44	172.7	-175.3	-170.6	169.6	-152.4	0	112.1	S708 K745 K750 I751	S708-K747 PolarHBondContact O-NZ 3.33Å; S708-K747 VanDerWaalsContact O-NZ 3.09Å; K745-K747 VanDerWaalsContact C-N 3.25Å; K745-K747 PolarHBondContact O-N 2.92Å; K745-K747 VanDerWaalsContact O-N 3.08Å; K747-K750 PolarHBondContact O-N 3.46Å; K747-I751 HydrophobicContact CG-CD1 4.1Å; K747-I751 WeakPolarHBondContact O-CG1 3.36Å; K747-I751 PolarHBondContact O-N 3.05Å
748	A	96	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-39.7	177.7	0	0	0	0	0	111.6	V707 L744 K745 I751 L752	V707-A748 HydrophobicContact CG2-CB 3.79Å; L744-A748 HydrophobicContact CD1-CB 4.06Å; K745-A748 HydrophobicContact CB-CB 4.42Å; K745-A748 CarbonylContact O-C 3.51Å; K745-A748 WeakPolarHBondContact O-CA 3.28Å; K745-A748 WeakPolarHBondContact O-CB 3.35Å; K745-A748 PolarHBondContact O-N 3.5Å; A748-I751 PolarHBondContact O-N 3.45Å; A748-L752 WeakPolarHBondContact O-CB 3.2Å; A748-L752 PolarHBondContact O-N 3.1Å
749	A	96	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-52	-54.7	171.5	0	0	0	0	0	112.1	L744 K745 I751 L752 V753 A782 C783	L744-A749 HydrophobicContact CD2-CB 4.21Å; L744-A749 HydrophobicContact CG-CB 4.07Å; K745-A749 PolarHBondContact O-N 3.01Å; A749-I751 PolarHBondContact O-N 2.9Å; A749-L752 PolarHBondContact O-N 2.95Å; A749-V753 WeakPolarHBondContact O-CB 3.46Å; A749-V753 WeakPolarHBondContact O-CG2 3.3Å; A749-V753 PolarHBondContact O-N 2.73Å; A749-A782 HydrophobicContact CB-CB 4.12Å; A749-C783 VanDerWaalsContact CB-SG 3.56Å
750	K	97.2	Very high	96.3	Very high	93 Å²	93	40.2 Å²	40.2	40%	0.404	19%	0.192	S	C	.	.	H	α-helix	trans	-61.5	-43.7	179.6	-66.5	-167.9	176.6	-167.5	0	112.7	P746 K747 S754 A782 E785 A786	P746-K750 PolarHBondContact O-N 2.68Å; K747-K750 PolarHBondContact O-N 3.46Å; K750-S754 VanDerWaalsContact O-CB 3.26Å; K750-S754 WeakPolarHBondContact O-CB 3.48Å; K750-S754 PolarHBondContact O-N 3.3Å; K750-S754 VanDerWaalsContact O-N 3.11Å; K750-S754 PolarHBondContact O-OG 2.81Å; K750-A782 HydrophobicContact CG-CB 4.05Å; K750-A782 WeakPolarHBondContact CG-O 3.41Å; K750-E785 WeakPolarHBondContact CE-OE2 3.19Å; K750-E785 IonicContact NZ-OE2 2.61Å; K750-E785 PolarHBondContact NZ-OE2 2.56Å; K750-A786 HydrophobicContact CG-CB 4.34Å
751	I	97.1	Very high	96.4	Very high	59 Å²	59	43.2 Å²	43.2	30%	0.303	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-49.9	178.2	-68.4	166.2	0	0	0	111	V707 L717 K747 A748 A749 A755	V707-I751 HydrophobicContact CG2-CG2 4.37Å; L717-I751 HydrophobicContact CD1-CG2 4.32Å; L717-I751 HydrophobicContact CD2-CG2 3.92Å; K747-I751 HydrophobicContact CG-CD1 4.1Å; K747-I751 WeakPolarHBondContact O-CG1 3.36Å; K747-I751 PolarHBondContact O-N 3.05Å; A748-I751 PolarHBondContact O-N 3.45Å; A749-I751 PolarHBondContact O-N 2.9Å; I751-A755 VanDerWaalsContact O-CB 3.25Å; I751-A755 WeakPolarHBondContact O-CB 3.37Å; I751-A755 PolarHBondContact O-N 2.59Å
752	L	97.3	Very high	96.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-72.4	-47.9	-175	-177.9	57.9	0	0	0	112.4	Y703 V707 L717 Y720 I737 L744 A748 A749 A755 L756	Y703-L752 HydrophobicContact CD2-CD2 3.79Å; Y703-L752 HydrophobicContact CE2-CD2 3.88Å; V707-L752 HydrophobicContact CG2-CB 4.27Å; L717-L752 HydrophobicContact CD1-CD1 3.82Å; Y720-L752 HydrophobicContact CD2-CD1 4.38Å; Y720-L752 HydrophobicContact CG-CD1 4.18Å; I737-L752 HydrophobicContact CD1-CD2 3.98Å; I737-L752 HydrophobicContact CD1-CG 4.06Å; I737-L752 HydrophobicContact CG2-CD2 4.08Å; L744-L752 HydrophobicContact CD1-CD2 4.21Å; A748-L752 WeakPolarHBondContact O-CB 3.2Å; A748-L752 PolarHBondContact O-N 3.1Å; A749-L752 PolarHBondContact O-N 2.95Å; L752-A755 PolarHBondContact O-N 3.21Å; L752-L756 HydrophobicContact CD1-CD1 3.89Å; L752-L756 HydrophobicContact CD1-CG 4.29Å; L752-L756 HydrophobicContact CG-CD1 3.99Å; L752-L756 WeakPolarHBondContact O-CB 3.41Å; L752-L756 WeakPolarHBondContact O-CG 3.41Å; L752-L756 PolarHBondContact O-N 2.77Å
753	V	97.8	Very high	96.4	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.2	-43.1	-175.8	175.9	0	0	0	0	111.2	I737 A749 A755 L756 R757 V767 C783 A786 A788	I737-V753 HydrophobicContact CD1-CG2 3.88Å; A749-V753 WeakPolarHBondContact O-CB 3.46Å; A749-V753 WeakPolarHBondContact O-CG2 3.3Å; A749-V753 PolarHBondContact O-N 2.73Å; V753-A755 PolarHBondContact O-N 2.84Å; V753-L756 PolarHBondContact O-N 3.02Å; V753-R757 VanDerWaalsContact O-CB 3.32Å; V753-R757 WeakPolarHBondContact O-CB 3.28Å; V753-R757 PolarHBondContact O-N 3.38Å; V753-V767 HydrophobicContact CG2-CG2 4.06Å; V753-C783 HydrophobicContact CG2-CB 4.17Å; V753-A786 HydrophobicContact CB-CB 3.77Å; V753-A786 HydrophobicContact CG1-CB 3.77Å; V753-A788 HydrophobicContact CG1-CB 3.95Å
754	S	97.8	Very high	96.6	Very high	53 Å²	53	51 Å²	51	37%	0.371	25%	0.247	S	C	.	.	H	α-helix	trans	-67	-37.3	177.8	-63.8	0	0	0	0	112.4	K750 R757 E758 A786	K750-S754 VanDerWaalsContact O-CB 3.26Å; K750-S754 WeakPolarHBondContact O-CB 3.48Å; K750-S754 PolarHBondContact O-N 3.3Å; K750-S754 VanDerWaalsContact O-N 3.11Å; K750-S754 PolarHBondContact O-OG 2.81Å; S754-R757 PolarHBondContact O-N 2.7Å; S754-E758 WeakPolarHBondContact O-CB 3.42Å; S754-E758 PolarHBondContact O-N 2.68Å; S754-A786 WeakPolarHBondContact OG-CB 3.22Å; S754-A786 PolarHBondContact OG-O 3.5Å
755	A	97.7	Very high	96.7	Very high	17 Å²	17	51 Å²	51	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-38.1	175	0	0	0	0	0	112.6	L717 L721 I751 L752 V753 R759	L717-A755 HydrophobicContact CD1-CB 4.06Å; L717-A755 HydrophobicContact CD2-CB 4.14Å; L721-A755 HydrophobicContact CD1-CB 4.44Å; L721-A755 HydrophobicContact CD2-CB 4.16Å; I751-A755 VanDerWaalsContact O-CB 3.25Å; I751-A755 WeakPolarHBondContact O-CB 3.37Å; I751-A755 PolarHBondContact O-N 2.59Å; L752-A755 PolarHBondContact O-N 3.21Å; V753-A755 PolarHBondContact O-N 2.84Å; A755-R759 VanDerWaalsContact O-CB 3.3Å; A755-R759 WeakPolarHBondContact O-CB 3.4Å; A755-R759 PolarHBondContact O-N 3.36Å; A755-R759 VanDerWaalsContact O-N 3.09Å
756	L	97.2	Very high	96.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-38.6	173.1	-74.3	168.8	0	0	0	112	L721 A724 L735 I737 L752 V753 R759 Y760 I765	L721-L756 HydrophobicContact CD2-CD2 3.77Å; L721-L756 HydrophobicContact CD2-CG 4.13Å; A724-L756 HydrophobicContact CB-CD2 3.52Å; L735-L756 HydrophobicContact CD2-CD1 4.38Å; L735-L756 HydrophobicContact CD2-CD2 3.91Å; I737-L756 HydrophobicContact CD1-CD1 3.7Å; I737-L756 HydrophobicContact CG1-CD1 4.14Å; L752-L756 HydrophobicContact CD1-CD1 3.89Å; L752-L756 HydrophobicContact CD1-CG 4.29Å; L752-L756 HydrophobicContact CG-CD1 3.99Å; L752-L756 WeakPolarHBondContact O-CB 3.41Å; L752-L756 WeakPolarHBondContact O-CG 3.41Å; L752-L756 PolarHBondContact O-N 2.77Å; V753-L756 PolarHBondContact O-N 3.02Å; L756-R759 PolarHBondContact O-N 3.25Å; L756-Y760 PolarHBondContact O-N 3.03Å; L756-I765 HydrophobicContact CB-CD1 3.96Å
757	R	97	Very high	97	Very high	29 Å²	29	45.5 Å²	45.5	11%	0.109	22%	0.218	C	C	.	.	H	α-helix	trans	-66.8	-41.5	175.9	174.7	55.7	63.8	-143.3	5.7	112.6	V753 S754 R759 Y760 P761 L763 I765 G787 D789	V753-R757 VanDerWaalsContact O-CB 3.32Å; V753-R757 WeakPolarHBondContact O-CB 3.28Å; V753-R757 PolarHBondContact O-N 3.38Å; S754-R757 PolarHBondContact O-N 2.7Å; R757-R759 VanDerWaalsContact C-N 3.35Å; R757-Y760 PolarHBondContact NH1-O 3.42Å; R757-Y760 CarbonylContact O-C 3.56Å; R757-Y760 PolarHBondContact O-N 3.2Å; R757-P761 PolarHBondContact NH1-O 3.01Å; R757-P761 WeakPolarHBondContact O-CA 3.5Å; R757-L763 PolarHBondContact NH1-O 3.22Å; R757-I765 HydrophobicContact CB-CD1 4.13Å; R757-G787 PolarHBondContact NE-O 3.25Å; R757-G787 PolarHBondContact NH2-O 2.95Å; R757-D789 IonicContact CZ-OD2 3.41Å; R757-D789 IonicContact NH2-OD1 3.25Å; R757-D789 IonicContact NH2-OD2 3.19Å; R757-D789 PolarHBondContact NH2-OD2 3.48Å
758	E	96.9	Very high	97.1	Very high	164 Å²	164	39.2 Å²	39.2	77%	0.766	19%	0.191	S	C	*	.	H	α-helix	trans	-62.7	-43.3	175.1	-177.4	178.8	-173.3	0	0	110.9	S754	S754-E758 WeakPolarHBondContact O-CB 3.42Å; S754-E758 PolarHBondContact O-N 2.68Å
759	R	96	Very high	97.1	Very high	120 Å²	120	39.2 Å²	39.2	45%	0.453	19%	0.191	S	C	.	.	H	α-helix	trans	-72.1	-31.7	178.7	-162.7	171.7	-174.7	89.7	1.4	113.3	D725 A755 L756 R757	D725-R759 IonicContact OD1-CZ 3.64Å; D725-R759 IonicContact OD1-NE 3.8Å; D725-R759 PolarHBondContact OD1-NE 3.15Å; D725-R759 IonicContact OD1-NH2 3.77Å; D725-R759 PolarHBondContact OD1-NH2 2.67Å; D725-R759 IonicContact OD2-CZ 3.6Å; D725-R759 IonicContact OD2-NE 2.66Å; D725-R759 IonicContact OD2-NH2 3.63Å; D725-R759 PolarHBondContact OD2-NH2 3.38Å; A755-R759 VanDerWaalsContact O-CB 3.3Å; A755-R759 WeakPolarHBondContact O-CB 3.4Å; A755-R759 PolarHBondContact O-N 3.36Å; A755-R759 VanDerWaalsContact O-N 3.09Å; L756-R759 PolarHBondContact O-N 3.25Å; R757-R759 VanDerWaalsContact C-N 3.35Å
760	Y	96.3	Very high	97	Very high	44 Å²	44	39.5 Å²	39.5	17%	0.173	19%	0.192	C	C	.	.			trans	-131.8	79.7	179.2	-63.8	-68.2	0	0	0	112.5	A724 D725 V728 L756 R757 E762 L763	A724-Y760 HydrophobicContact CB-CE2 4.27Å; D725-Y760 WeakPolarHBondContact CA-OH 3.38Å; D725-Y760 PolarHBondContact OD1-OH 3Å; V728-Y760 HydrophobicContact CB-CE1 4.01Å; V728-Y760 HydrophobicContact CG1-CD1 4.18Å; V728-Y760 HydrophobicContact CG1-CE1 3.7Å; V728-Y760 HydrophobicContact CG2-CD1 4.24Å; V728-Y760 HydrophobicContact CG2-CD2 4.29Å; V728-Y760 HydrophobicContact CG2-CE1 3.97Å; V728-Y760 HydrophobicContact CG2-CE2 4Å; V728-Y760 HydrophobicContact CG2-CG 4.41Å; L756-Y760 PolarHBondContact O-N 3.03Å; R757-Y760 PolarHBondContact NH1-O 3.42Å; R757-Y760 CarbonylContact O-C 3.56Å; R757-Y760 PolarHBondContact O-N 3.2Å; Y760-E762 VanDerWaalsContact C-N 3.3Å; Y760-E762 PolarHBondContact O-N 3.38Å; Y760-L763 HydrophobicContact CG-CD2 4.38Å
761	P	95.8	Very high	96.9	Very high	68 Å²	68	36 Å²	36	44%	0.442	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.5	-177.1	-27	36.7	0	0	0	114.7	R555 R757	R555-P761 PolarHBondContact NE-O 3.07Å; R555-P761 PolarHBondContact NH2-O 2.85Å; R757-P761 PolarHBondContact NH1-O 3.01Å; R757-P761 WeakPolarHBondContact O-CA 3.5Å
762	E	94.7	Very high	96.7	Very high	146 Å²	146	33.4 Å²	33.4	68%	0.682	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.1	-172.7	-60.9	-56.1	119.2	0	0	114.7	R555 Y760	R555-E762 WeakPolarHBondContact CG-O 3.47Å; Y760-E762 VanDerWaalsContact C-N 3.3Å; Y760-E762 PolarHBondContact O-N 3.38Å
763	L	96.2	Very high	96.4	Very high	23 Å²	23	34.4 Å²	34.4	12%	0.12	17%	0.173	C	C	.	.	S	Bend	trans	-88	130.1	-174.6	-172.2	67.5	0	0	0	110.8	V728 T732 L735 R757 Y760 I765	V728-L763 HydrophobicContact CG2-CD2 3.49Å; V728-L763 VanDerWaalsContact CG2-CD2 3.49Å; T732-L763 HydrophobicContact CG2-CD2 4.45Å; L735-L763 HydrophobicContact CB-CD2 3.75Å; L735-L763 HydrophobicContact CB-CG 4.4Å; L735-L763 HydrophobicContact CD2-CD2 4.49Å; R757-L763 PolarHBondContact NH1-O 3.22Å; Y760-L763 HydrophobicContact CG-CD2 4.38Å; L763-I765 PolarHBondContact O-N 3.22Å
764	P	98.2	Very high	96.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.019	20%	0.201	C	C	.	.			trans	-60.8	134.9	171.5	-24.7	34.4	0	0	0	112.6	A551 V554 R555 H733 I734 L735 D789	A551-P764 HydrophobicContact CB-CG 4.04Å; A551-P764 VanDerWaalsContact O-CG 3.26Å; A551-P764 WeakPolarHBondContact O-CG 3.25Å; V554-P764 HydrophobicContact CB-CG 4.3Å; V554-P764 HydrophobicContact CG1-CB 3.88Å; V554-P764 HydrophobicContact CG1-CG 4.15Å; R555-P764 HydrophobicContact CB-CG 4.22Å; H733-P764 WeakPolarHBondContact O-CD 3.22Å; I734-P764 HydrophobicContact CB-CB 4.39Å; I734-P764 HydrophobicContact CG1-CB 4.04Å; I734-P764 HydrophobicContact CG1-CG 4.32Å; I734-P764 HydrophobicContact CG2-CB 4.13Å; L735-P764 PolarHBondContact N-O 3.43Å; P764-D789 VanDerWaalsContact CA-OD2 3.24Å; P764-D789 WeakPolarHBondContact CA-OD2 3.43Å
765	I	98.4	Very high	95.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.9	175.9	-60.7	174.9	0	0	0	108.8	L735 L756 R757 L763 V767 A788 D789 I790	L735-I765 WeakPolarHBondContact O-CA 3.38Å; L756-I765 HydrophobicContact CB-CD1 3.96Å; R757-I765 HydrophobicContact CB-CD1 4.13Å; L763-I765 PolarHBondContact O-N 3.22Å; I765-V767 HydrophobicContact CG2-CG2 4.28Å; I765-A788 HydrophobicContact CG2-CB 4.25Å; I765-D789 PolarHBondContact N-OD2 2.9Å; I765-D789 PolarHBondContact O-N 2.89Å; I765-I790 PolarHBondContact O-N 2.85Å
766	H	98.6	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125	176.3	-165	164.5	0	0	0	109.4	S563 F599 Q637 R672 E698 I734 L735 C736 I737 I790 D792	S563-H766 WeakPolarHBondContact CB-NE2 3.44Å; F599-H766 AromaticContact CD1-CE1 3.98Å; F599-H766 AromaticContact CE1-CE1 3.71Å; F599-H766 AromaticContact CE1-ND1 3.81Å; Q637-H766 PolarHBondContact OE1-CE1 3.41Å; R672-H766 PolarHBondContact NH2-CE1 2.81Å; R672-H766 PolarHBondContact NH2-ND1 3.1Å; R672-H766 PolarHBondContact NH2-NE2 3.05Å; R672-H766 VanDerWaalsContact NH2-NE2 3.18Å; E698-H766 IonicContact OE1-CE1 2.7Å; E698-H766 IonicContact OE1-CG 3.85Å; E698-H766 IonicContact OE1-ND1 2.72Å; E698-H766 PolarHBondContact OE1-ND1 3.11Å; E698-H766 IonicContact OE2-CE1 3.85Å; E698-H766 IonicContact OE2-CG 2.66Å; E698-H766 IonicContact OE2-ND1 3.78Å; E698-H766 PolarHBondContact OE2-ND1 3.21Å; I734-H766 HydrophobicContact CG2-CB 3.87Å; L735-H766 PolarHBondContact O-N 3.29Å; C736-H766 CarbonylContact C-O 3.49Å; C736-H766 VanDerWaalsContact CA-O 3.22Å; C736-H766 WeakPolarHBondContact CA-O 3.32Å; C736-H766 HydrophobicContact CB-CB 4.43Å; I737-H766 PolarHBondContact N-O 3.02Å; H766-I790 CarbonylContact C-O 3.31Å; H766-I790 WeakPolarHBondContact CA-O 3.5Å; H766-I790 HydrophobicContact CB-CB 4.17Å; H766-I790 HydrophobicContact CB-CD1 4.06Å; H766-I790 WeakPolarHBondContact NE2-CG2 3.49Å; H766-D792 IonicContact CE1-OD1 3.41Å; H766-D792 IonicContact NE2-OD1 2.71Å; H766-D792 PolarHBondContact NE2-OD1 3.48Å
767	V	98.4	Very high	95.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.6	175.5	-170.2	0	0	0	0	111.6	I737 L744 V753 I765 M780 C783 A788 I790 V791 D792	I737-V767 HydrophobicContact CB-CG1 4.35Å; I737-V767 HydrophobicContact CB-CG2 4.49Å; I737-V767 HydrophobicContact CD1-CG2 4.13Å; L744-V767 HydrophobicContact CD2-CG1 3.99Å; V753-V767 HydrophobicContact CG2-CG2 4.06Å; I765-V767 HydrophobicContact CG2-CG2 4.28Å; V767-M780 HydrophobicContact CB-SD 4.15Å; V767-M780 HydrophobicContact CG1-CE 3.66Å; V767-M780 HydrophobicContact CG1-SD 3.84Å; V767-C783 HydrophobicContact CB-CB 4.31Å; V767-C783 HydrophobicContact CG2-CB 3.96Å; V767-A788 HydrophobicContact CG2-CB 3.88Å; V767-I790 PolarHBondContact N-O 3.13Å; V767-V791 HydrophobicContact CB-CG1 4.41Å; V767-V791 WeakPolarHBondContact O-CA 3.37Å; V767-D792 PolarHBondContact O-N 3.21Å
768	H	98	Very high	95.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.1	173	168.5	98.6	0	0	0	109.3	D569 I737 K738 D739 H770 D792 Q804	D569-H768 IonicContact OD2-CE1 2.66Å; D569-H768 PolarHBondContact OD2-CE1 3.47Å; D569-H768 VanDerWaalsContact OD2-CE1 3.3Å; D569-H768 IonicContact OD2-NE2 2.75Å; I737-H768 PolarHBondContact O-N 3.01Å; K738-H768 PolarHBondContact NZ-CD2 3Å; K738-H768 VanDerWaalsContact NZ-CD2 3.34Å; K738-H768 PolarHBondContact NZ-CE1 2.9Å; K738-H768 PolarHBondContact NZ-NE2 3.49Å; D739-H768 WeakPolarHBondContact CB-O 3.38Å; D739-H768 PolarHBondContact N-O 3.43Å; H768-H770 AromaticContact CE1-NE2 3.78Å; H768-H770 AromaticContact NE2-CD2 3.33Å; H768-H770 PolarHBondContact NE2-CD2 3Å; H768-H770 VanDerWaalsContact NE2-CD2 3.33Å; H768-H770 AromaticContact NE2-NE2 3.17Å; H768-H770 PolarHBondContact NE2-NE2 2.85Å; H768-H770 VanDerWaalsContact NE2-NE2 3.17Å; H768-D792 HydrophobicContact CB-CB 4.42Å; H768-D792 WeakPolarHBondContact CB-OD2 3.5Å; H768-D792 IonicContact CE1-OD2 2.7Å; H768-D792 IonicContact CG-OD2 2.77Å; H768-D792 IonicContact ND1-OD2 3.87Å; H768-D792 PolarHBondContact ND1-OD2 3.18Å; H768-Q804 PolarHBondContact CE1-NE2 2.99Å
769	S	96.2	Very high	95.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	18%	0.18	C	C	.	.			trans	-143.9	167.6	172	-173.6	0	0	0	0	111.3	D739 Q804	D739-S769 WeakPolarHBondContact O-CA 3.32Å; D739-S769 PolarHBondContact OD2-OG 3.2Å; S769-Q804 PolarHBondContact O-NE2 2.87Å
770	H	95.2	Very high	95.8	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.028	16%	0.158	C	C	.	.			trans	-114.9	139.8	172.2	-71.4	-108.4	0	0	0	109.8	D569 M740 G742 H768 T772 T802 S803 Q804	D569-H770 IonicContact OD1-CE1 3.78Å; D569-H770 IonicContact OD2-CE1 2.82Å; D569-H770 IonicContact OD2-NE2 3.28Å; M740-H770 VanDerWaalsContact C-CD2 3.46Å; M740-H770 PolarHBondContact O-CD2 3.05Å; G742-H770 WeakPolarHBondContact CA-O 3.42Å; H768-H770 AromaticContact CE1-NE2 3.78Å; H768-H770 AromaticContact NE2-CD2 3.33Å; H768-H770 PolarHBondContact NE2-CD2 3Å; H768-H770 VanDerWaalsContact NE2-CD2 3.33Å; H768-H770 AromaticContact NE2-NE2 3.17Å; H768-H770 PolarHBondContact NE2-NE2 2.85Å; H768-H770 VanDerWaalsContact NE2-NE2 3.17Å; H770-T772 PolarHBondContact O-N 3.36Å; H770-T802 PolarHBondContact ND1-O 2.97Å; H770-S803 CarbonylContact C-O 3.55Å; H770-S803 WeakPolarHBondContact CA-O 3.31Å; H770-Q804 PolarHBondContact CE1-NE2 2.88Å; H770-Q804 PolarHBondContact ND1-NE2 2.8Å
771	D	95	Very high	95.8	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.107	16%	0.161	C	C	.	.			trans	-81.4	32.7	-177.3	-162.5	35.6	0	0	0	113.5	A773 G774 A775 A776 M801 S803	D771-A773 PolarHBondContact O-N 3.16Å; D771-G774 PolarHBondContact O-N 2.95Å; D771-G774 VanDerWaalsContact OD1-C 3.24Å; D771-G774 WeakPolarHBondContact OD1-CA 3.31Å; D771-A775 PolarHBondContact OD1-N 3.11Å; D771-A776 HydrophobicContact CB-CB 3.85Å; D771-A776 WeakPolarHBondContact OD1-CB 3.45Å; D771-A776 PolarHBondContact OD1-N 2.97Å; D771-M801 CarbonylContact C-O 3.47Å; D771-M801 VanDerWaalsContact O-O 3.08Å; D771-S803 PolarHBondContact N-O 2.9Å
772	T	91.2	Very high	95.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-33.2	-169.4	-57.3	0	0	0	0	111.6	A741 H770 M801 G854 N855 V858	A741-T772 WeakPolarHBondContact O-CB 3.37Å; H770-T772 PolarHBondContact O-N 3.36Å; T772-M801 WeakPolarHBondContact CA-O 3.19Å; T772-M801 PolarHBondContact N-O 2.64Å; T772-G854 CarbonylContact O-C 3.59Å; T772-G854 WeakPolarHBondContact O-CA 3.34Å; T772-N855 PolarHBondContact O-N 3.13Å; T772-V858 HydrophobicContact CG2-CB 3.96Å; T772-V858 HydrophobicContact CG2-CG1 4.14Å; T772-V858 HydrophobicContact CG2-CG2 3.96Å
773	A	91.8	Very high	96.1	Very high	23 Å²	23	14.7 Å²	14.7	19%	0.19	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.7	174.4	0	0	0	0	0	114.9	D771 A775 V858 Y859	D771-A773 PolarHBondContact O-N 3.16Å; A773-A775 VanDerWaalsContact C-N 3.34Å; A773-A775 HydrophobicContact CB-CB 4.47Å; A773-V858 HydrophobicContact CB-CG1 3.95Å; A773-Y859 HydrophobicContact CB-CD2 4.48Å; A773-Y859 HydrophobicContact CB-CE2 3.58Å; A773-Y859 WeakPolarHBondContact CB-OH 3.45Å
774	G	91.9	Very high	96.1	Very high	57 Å²	57	13.7 Å²	13.7	59%	0.588	10%	0.104	S	C	*	.	S	Bend	trans	68.5	29.3	-172.5	0	0	0	0	0	114.1	D771	D771-G774 PolarHBondContact O-N 2.95Å; D771-G774 VanDerWaalsContact OD1-C 3.24Å; D771-G774 WeakPolarHBondContact OD1-CA 3.31Å
775	A	93.3	Very high	96	Very high	32 Å²	32	18.5 Å²	18.5	26%	0.264	13%	0.127	S	C	.	.			trans	-128.8	-6.1	-173.5	0	0	0	0	0	114.1	D771 A773 V777 A778 S779	D771-A775 PolarHBondContact OD1-N 3.11Å; A773-A775 VanDerWaalsContact C-N 3.34Å; A773-A775 HydrophobicContact CB-CB 4.47Å; A775-V777 VanDerWaalsContact C-N 3.32Å; A775-V777 PolarHBondContact O-N 3.38Å; A775-A778 PolarHBondContact O-N 2.87Å; A775-S779 PolarHBondContact O-N 2.73Å; A775-S779 VanDerWaalsContact O-N 3.09Å; A775-S779 PolarHBondContact O-OG 3.45Å
776	A	94.7	Very high	95.9	Very high	4 Å²	4	19 Å²	19	3%	0.033	13%	0.131	C	C	.	.	H	α-helix	trans	-69.7	-27.6	-172.1	0	0	0	0	0	112.8	D771 A778 S779 M780 P805	D771-A776 HydrophobicContact CB-CB 3.85Å; D771-A776 WeakPolarHBondContact OD1-CB 3.45Å; D771-A776 PolarHBondContact OD1-N 2.97Å; A776-A778 VanDerWaalsContact C-N 3.34Å; A776-A778 PolarHBondContact O-N 2.86Å; A776-S779 CarbonylContact O-C 3.54Å; A776-S779 PolarHBondContact O-N 3.23Å; A776-M780 WeakPolarHBondContact O-CG 3.24Å; A776-M780 PolarHBondContact O-N 3.21Å; A776-P805 HydrophobicContact CB-CB 4.2Å; A776-P805 HydrophobicContact CB-CG 4.14Å
777	V	96.5	Very high	95.8	Very high	32 Å²	32	20.2 Å²	20.2	19%	0.194	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-47.2	172.4	-179.9	0	0	0	0	110.4	A775 S779 M780 L781 P805 A809 M810 I813	A775-V777 VanDerWaalsContact C-N 3.32Å; A775-V777 PolarHBondContact O-N 3.38Å; V777-S779 VanDerWaalsContact C-N 3.33Å; V777-S779 PolarHBondContact O-N 3.02Å; V777-M780 PolarHBondContact O-N 3.39Å; V777-L781 WeakPolarHBondContact O-CB 3.34Å; V777-L781 PolarHBondContact O-N 2.98Å; V777-P805 HydrophobicContact CB-CB 4.39Å; V777-P805 HydrophobicContact CG2-CB 3.6Å; V777-A809 HydrophobicContact CG1-CB 4.18Å; V777-M810 HydrophobicContact CG1-SD 4.08Å; V777-I813 HydrophobicContact CG1-CD1 3.83Å
778	A	97	Very high	95.7	Very high	53 Å²	53	20.5 Å²	20.5	44%	0.438	15%	0.145	S	C	.	.	H	α-helix	trans	-67.6	-33.2	176.5	0	0	0	0	0	112.2	P746 A775 A776 A782	P746-A778 HydrophobicContact CG-CB 3.99Å; A775-A778 PolarHBondContact O-N 2.87Å; A776-A778 VanDerWaalsContact C-N 3.34Å; A776-A778 PolarHBondContact O-N 2.86Å; A778-A782 VanDerWaalsContact O-CB 3.26Å; A778-A782 WeakPolarHBondContact O-CB 3.46Å; A778-A782 PolarHBondContact O-N 3.21Å
779	S	96.8	Very high	95.7	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-70.9	-39	175.3	-64.3	0	0	0	0	113.4	L744 P746 A775 A776 V777 A782 C783	L744-S779 WeakPolarHBondContact O-CB 3.19Å; L744-S779 PolarHBondContact O-OG 3.44Å; P746-S779 WeakPolarHBondContact CD-OG 3.44Å; A775-S779 PolarHBondContact O-N 2.73Å; A775-S779 VanDerWaalsContact O-N 3.09Å; A775-S779 PolarHBondContact O-OG 3.45Å; A776-S779 CarbonylContact O-C 3.54Å; A776-S779 PolarHBondContact O-N 3.23Å; V777-S779 VanDerWaalsContact C-N 3.33Å; V777-S779 PolarHBondContact O-N 3.02Å; S779-A782 CarbonylContact O-C 3.57Å; S779-A782 PolarHBondContact O-N 3.48Å; S779-C783 PolarHBondContact O-N 3.03Å; S779-C783 PolarHBondContact O-SG 2.68Å
780	M	97.6	Very high	95.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-72.3	-37.9	177.7	-66.5	-51.4	89.8	0	0	111.3	V767 A776 V777 A782 C783 A784 V791 P805 M810	V767-M780 HydrophobicContact CB-SD 4.15Å; V767-M780 HydrophobicContact CG1-CE 3.66Å; V767-M780 HydrophobicContact CG1-SD 3.84Å; A776-M780 WeakPolarHBondContact O-CG 3.24Å; A776-M780 PolarHBondContact O-N 3.21Å; V777-M780 PolarHBondContact O-N 3.39Å; M780-A782 VanDerWaalsContact C-N 3.32Å; M780-A782 PolarHBondContact O-N 3.1Å; M780-C783 WeakPolarHBondContact O-CB 3.49Å; M780-C783 PolarHBondContact O-N 2.8Å; M780-C783 VanDerWaalsContact O-N 3.16Å; M780-A784 PolarHBondContact O-N 3.11Å; M780-V791 HydrophobicContact CB-CB 4.29Å; M780-V791 HydrophobicContact CB-CG1 4.22Å; M780-V791 HydrophobicContact CB-CG2 4.41Å; M780-V791 HydrophobicContact CG-CB 4.34Å; M780-V791 HydrophobicContact SD-CB 4.12Å; M780-V791 HydrophobicContact SD-CG1 4.11Å; M780-P805 HydrophobicContact CG-CG 3.75Å; M780-M810 HydrophobicContact CB-CE 4.13Å; M780-M810 HydrophobicContact CB-SD 4.09Å
781	L	97.4	Very high	96	Very high	44 Å²	44	20.8 Å²	20.8	23%	0.23	15%	0.147	C	C	.	.	H	α-helix	trans	-55.7	-48.7	166.5	176.9	63.9	0	0	0	110.8	V777 C783 A784 E785 I813 L814	V777-L781 WeakPolarHBondContact O-CB 3.34Å; V777-L781 PolarHBondContact O-N 2.98Å; L781-C783 VanDerWaalsContact C-N 3.25Å; L781-C783 PolarHBondContact O-N 3.18Å; L781-A784 PolarHBondContact O-N 3.27Å; L781-A784 VanDerWaalsContact O-N 3.17Å; L781-E785 HydrophobicContact CD1-CG 4.3Å; L781-E785 HydrophobicContact CG-CG 4.47Å; L781-E785 WeakPolarHBondContact O-CG 3.41Å; L781-E785 PolarHBondContact O-N 3.35Å; L781-I813 HydrophobicContact CD1-CG2 3.93Å; L781-I813 HydrophobicContact CD2-CG2 4.02Å; L781-L814 HydrophobicContact CD1-CD2 3.73Å
782	A	97.6	Very high	96.1	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.033	14%	0.142	C	C	.	.	H	α-helix	trans	-64	-26.5	177.8	0	0	0	0	0	113.7	P746 A749 K750 A778 S779 M780 A786	P746-A782 HydrophobicContact CB-CB 3.94Å; A749-A782 HydrophobicContact CB-CB 4.12Å; K750-A782 HydrophobicContact CG-CB 4.05Å; K750-A782 WeakPolarHBondContact CG-O 3.41Å; A778-A782 VanDerWaalsContact O-CB 3.26Å; A778-A782 WeakPolarHBondContact O-CB 3.46Å; A778-A782 PolarHBondContact O-N 3.21Å; S779-A782 CarbonylContact O-C 3.57Å; S779-A782 PolarHBondContact O-N 3.48Å; M780-A782 VanDerWaalsContact C-N 3.32Å; M780-A782 PolarHBondContact O-N 3.1Å; A782-A786 WeakPolarHBondContact O-CB 3.41Å; A782-A786 PolarHBondContact O-N 2.84Å
783	C	97.6	Very high	96.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-73.5	-44.1	171.1	-66.4	0	0	0	0	111.9	A749 V753 V767 S779 M780 L781 A786 G787 A788	A749-C783 VanDerWaalsContact CB-SG 3.56Å; V753-C783 HydrophobicContact CG2-CB 4.17Å; V767-C783 HydrophobicContact CB-CB 4.31Å; V767-C783 HydrophobicContact CG2-CB 3.96Å; S779-C783 PolarHBondContact O-N 3.03Å; S779-C783 PolarHBondContact O-SG 2.68Å; M780-C783 WeakPolarHBondContact O-CB 3.49Å; M780-C783 PolarHBondContact O-N 2.8Å; M780-C783 VanDerWaalsContact O-N 3.16Å; L781-C783 VanDerWaalsContact C-N 3.25Å; L781-C783 PolarHBondContact O-N 3.18Å; C783-A786 CarbonylContact O-C 3.55Å; C783-A786 PolarHBondContact O-N 2.87Å; C783-A786 VanDerWaalsContact O-N 3.14Å; C783-G787 PolarHBondContact O-N 2.89Å; C783-G787 VanDerWaalsContact O-N 3.15Å; C783-A788 HydrophobicContact CB-CB 4.07Å; C783-A788 WeakPolarHBondContact O-CB 3.3Å; C783-A788 PolarHBondContact O-N 3.2Å
784	A	96.5	Very high	96.8	Very high	2 Å²	2	18.6 Å²	18.6	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-48.1	176.9	0	0	0	0	0	111.2	T560 M780 L781 A786 G787 L819	T560-A784 HydrophobicContact CG2-CB 3.97Å; M780-A784 PolarHBondContact O-N 3.11Å; L781-A784 PolarHBondContact O-N 3.27Å; L781-A784 VanDerWaalsContact O-N 3.17Å; A784-A786 PolarHBondContact O-N 3.11Å; A784-G787 PolarHBondContact O-N 3.05Å; A784-L819 HydrophobicContact CB-CD1 4.18Å
785	E	96.7	Very high	97	Very high	105 Å²	105	15.9 Å²	15.9	49%	0.491	10%	0.104	S	C	.	.	H	α-helix	trans	-58.7	-29.2	172.7	-70.4	178.7	149.8	0	0	113.3	K750 L781 G787 L819	K750-E785 WeakPolarHBondContact CE-OE2 3.19Å; K750-E785 IonicContact NZ-OE2 2.61Å; K750-E785 PolarHBondContact NZ-OE2 2.56Å; L781-E785 HydrophobicContact CD1-CG 4.3Å; L781-E785 HydrophobicContact CG-CG 4.47Å; L781-E785 WeakPolarHBondContact O-CG 3.41Å; L781-E785 PolarHBondContact O-N 3.35Å; E785-G787 VanDerWaalsContact C-N 3.34Å; E785-L819 HydrophobicContact CG-CD1 4.39Å
786	A	96.8	Very high	97.2	Very high	11 Å²	11	16.6 Å²	16.6	9%	0.091	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-4.1	177.9	0	0	0	0	0	113.9	K750 V753 S754 A782 C783 A784	K750-A786 HydrophobicContact CG-CB 4.34Å; V753-A786 HydrophobicContact CB-CB 3.77Å; V753-A786 HydrophobicContact CG1-CB 3.77Å; S754-A786 WeakPolarHBondContact OG-CB 3.22Å; S754-A786 PolarHBondContact OG-O 3.5Å; A782-A786 WeakPolarHBondContact O-CB 3.41Å; A782-A786 PolarHBondContact O-N 2.84Å; C783-A786 CarbonylContact O-C 3.55Å; C783-A786 PolarHBondContact O-N 2.87Å; C783-A786 VanDerWaalsContact O-N 3.14Å; A784-A786 PolarHBondContact O-N 3.11Å
787	G	95.3	Very high	97.2	Very high	25 Å²	25	17.2 Å²	17.2	26%	0.258	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	24.4	175.6	0	0	0	0	0	115.9	R757 C783 A784 E785	R757-G787 PolarHBondContact NE-O 3.25Å; R757-G787 PolarHBondContact NH2-O 2.95Å; C783-G787 PolarHBondContact O-N 2.89Å; C783-G787 VanDerWaalsContact O-N 3.15Å; A784-G787 PolarHBondContact O-N 3.05Å; E785-G787 VanDerWaalsContact C-N 3.34Å
788	A	97.3	Very high	97.2	Very high	6 Å²	6	15.7 Å²	15.7	5%	0.05	10%	0.098	C	C	.	.			trans	-71.8	135.8	164	0	0	0	0	0	110.8	V753 I765 V767 C783	V753-A788 HydrophobicContact CG1-CB 3.95Å; I765-A788 HydrophobicContact CG2-CB 4.25Å; V767-A788 HydrophobicContact CG2-CB 3.88Å; C783-A788 HydrophobicContact CB-CB 4.07Å; C783-A788 WeakPolarHBondContact O-CB 3.3Å; C783-A788 PolarHBondContact O-N 3.2Å
789	D	98.1	Very high	97.1	Very high	14 Å²	14	14.1 Å²	14.1	8%	0.075	8%	0.084	C	C	.	.	S	Bend	trans	-84.6	-29.7	-177.4	-46.2	-92.9	0	0	0	112.1	V554 R555 L561 R757 P764 I765	V554-D789 HydrophobicContact CG1-CB 4.1Å; R555-D789 WeakPolarHBondContact CD-OD1 3.41Å; R555-D789 IonicContact CZ-OD1 2.67Å; R555-D789 IonicContact NE-OD1 2.7Å; R555-D789 IonicContact NH1-OD1 2.64Å; R555-D789 PolarHBondContact NH1-OD1 2.84Å; L561-D789 WeakPolarHBondContact CB-O 3.49Å; L561-D789 PolarHBondContact N-O 3.23Å; R757-D789 IonicContact CZ-OD2 3.41Å; R757-D789 IonicContact NH2-OD1 3.25Å; R757-D789 IonicContact NH2-OD2 3.19Å; R757-D789 PolarHBondContact NH2-OD2 3.48Å; P764-D789 VanDerWaalsContact CA-OD2 3.24Å; P764-D789 WeakPolarHBondContact CA-OD2 3.43Å; I765-D789 PolarHBondContact N-OD2 2.9Å; I765-D789 PolarHBondContact O-N 2.89Å
790	I	98.4	Very high	96.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	140.7	-175.6	-43.9	151.4	0	0	0	110.5	V554 L561 F599 I734 I765 H766 V767	V554-I790 HydrophobicContact CG1-CD1 3.98Å; V554-I790 HydrophobicContact CG1-CG1 4.09Å; L561-I790 HydrophobicContact CB-CB 4.42Å; L561-I790 HydrophobicContact CB-CG1 4.12Å; L561-I790 HydrophobicContact CB-CG2 4.22Å; L561-I790 HydrophobicContact CD1-CG1 4.41Å; L561-I790 CarbonylContact O-C 3.59Å; L561-I790 VanDerWaalsContact O-CA 3.3Å; L561-I790 WeakPolarHBondContact O-CA 3.28Å; F599-I790 HydrophobicContact CB-CG2 4.03Å; F599-I790 HydrophobicContact CD1-CD1 4.01Å; F599-I790 HydrophobicContact CD1-CG1 4.44Å; F599-I790 HydrophobicContact CD1-CG2 3.75Å; F599-I790 HydrophobicContact CD2-CD1 3.64Å; F599-I790 HydrophobicContact CD2-CG1 4.06Å; F599-I790 HydrophobicContact CE1-CD1 3.85Å; F599-I790 HydrophobicContact CE1-CG2 4.43Å; F599-I790 HydrophobicContact CE2-CD1 3.45Å; F599-I790 VanDerWaalsContact CE2-CD1 3.45Å; F599-I790 HydrophobicContact CE2-CG1 4.37Å; F599-I790 HydrophobicContact CG-CD1 3.91Å; F599-I790 HydrophobicContact CG-CG1 4.1Å; F599-I790 HydrophobicContact CG-CG2 3.89Å; F599-I790 HydrophobicContact CZ-CD1 3.58Å; I734-I790 HydrophobicContact CD1-CD1 4.34Å; I734-I790 HydrophobicContact CG2-CD1 4.44Å; I765-I790 PolarHBondContact O-N 2.85Å; H766-I790 CarbonylContact C-O 3.31Å; H766-I790 WeakPolarHBondContact CA-O 3.5Å; H766-I790 HydrophobicContact CB-CB 4.17Å; H766-I790 HydrophobicContact CB-CD1 4.06Å; H766-I790 WeakPolarHBondContact NE2-CG2 3.49Å; V767-I790 PolarHBondContact N-O 3.13Å
791	V	98	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.3	166.7	-60.2	0	0	0	0	112.4	T560 L561 L562 S563 V767 M780 M810	T560-V791 HydrophobicContact CG2-CG2 4.21Å; L561-V791 PolarHBondContact O-N 3.03Å; L562-V791 WeakPolarHBondContact CA-O 3.33Å; L562-V791 HydrophobicContact CD2-CG2 3.54Å; S563-V791 PolarHBondContact N-O 2.86Å; V767-V791 HydrophobicContact CB-CG1 4.41Å; V767-V791 WeakPolarHBondContact O-CA 3.37Å; M780-V791 HydrophobicContact CB-CB 4.29Å; M780-V791 HydrophobicContact CB-CG1 4.22Å; M780-V791 HydrophobicContact CB-CG2 4.41Å; M780-V791 HydrophobicContact CG-CB 4.34Å; M780-V791 HydrophobicContact SD-CB 4.12Å; M780-V791 HydrophobicContact SD-CG1 4.11Å; V791-M810 HydrophobicContact CG2-CE 4.38Å
792	D	98.6	Very high	96.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.1	171.3	-86.8	-25.3	0	0	0	111.6	S563 T565 R672 H766 V767 H768 Q804	S563-D792 WeakPolarHBondContact CB-OD1 3.48Å; S563-D792 WeakPolarHBondContact O-CA 3.43Å; S563-D792 PolarHBondContact OG-OD1 3.41Å; T565-D792 HydrophobicContact CG2-CB 3.78Å; R672-D792 IonicContact CZ-OD2 2.77Å; R672-D792 VanDerWaalsContact CZ-OD2 3.29Å; R672-D792 IonicContact NH1-OD1 2.68Å; R672-D792 IonicContact NH1-OD2 2.67Å; R672-D792 PolarHBondContact NH1-OD2 2.96Å; R672-D792 IonicContact NH2-OD1 2.74Å; R672-D792 IonicContact NH2-OD2 3.2Å; R672-D792 PolarHBondContact NH2-OD2 2.95Å; R672-D792 VanDerWaalsContact NH2-OD2 3.1Å; H766-D792 IonicContact CE1-OD1 3.41Å; H766-D792 IonicContact NE2-OD1 2.71Å; H766-D792 PolarHBondContact NE2-OD1 3.48Å; V767-D792 PolarHBondContact O-N 3.21Å; H768-D792 HydrophobicContact CB-CB 4.42Å; H768-D792 WeakPolarHBondContact CB-OD2 3.5Å; H768-D792 IonicContact CE1-OD2 2.7Å; H768-D792 IonicContact CG-OD2 2.77Å; H768-D792 IonicContact ND1-OD2 3.87Å; H768-D792 PolarHBondContact ND1-OD2 3.18Å; D792-Q804 HydrophobicContact CB-CG 4.14Å
793	V	98.3	Very high	96.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	164.8	176.1	-64.8	0	0	0	0	110.4	L562 S563 T565 P805 M807 M810	L562-V793 HydrophobicContact CB-CG2 3.92Å; L562-V793 HydrophobicContact CD1-CG1 4.47Å; L562-V793 HydrophobicContact CD1-CG2 4.11Å; L562-V793 HydrophobicContact CD2-CG1 4.22Å; L562-V793 HydrophobicContact CG-CG2 4.49Å; S563-V793 PolarHBondContact O-N 3.25Å; T565-V793 PolarHBondContact N-O 2.91Å; T565-V793 PolarHBondContact OG1-O 3.19Å; V793-P805 WeakPolarHBondContact CA-O 3.49Å; V793-M807 HydrophobicContact CB-CB 4.04Å; V793-M807 HydrophobicContact CG2-CB 3.74Å; V793-M807 HydrophobicContact CG2-CE 3.88Å; V793-M807 HydrophobicContact CG2-CG 3.89Å; V793-M810 HydrophobicContact CG1-CB 4.25Å; V793-M810 HydrophobicContact CG1-CG 3.83Å
794	A	98.1	Very high	96	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-121	153.1	164.6	0	0	0	0	0	110.4	A570 Q804 P805 M807	A570-A794 HydrophobicContact CB-CB 3.9Å; A794-Q804 HydrophobicContact CB-CB 3.98Å; A794-P805 PolarHBondContact N-O 3.35Å; A794-M807 VanDerWaalsContact O-CB 3.3Å; A794-M807 WeakPolarHBondContact O-CB 3.23Å; A794-M807 PolarHBondContact O-N 2.68Å
795	V	97.3	Very high	96	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.083	C	C	.	.			trans	-61.1	146.4	172.6	77.9	0	0	0	0	110.1	T566 S797 M798 S799 V828 Y831 C835	T566-V795 HydrophobicContact CG2-CG1 3.7Å; T566-V795 PolarHBondContact OG1-N 3.34Å; V795-S797 PolarHBondContact O-N 3.22Å; V795-S797 VanDerWaalsContact O-N 3.16Å; V795-M798 HydrophobicContact CG1-CB 4.07Å; V795-M798 HydrophobicContact CG1-CG 4.28Å; V795-M798 CarbonylContact O-C 2.93Å; V795-M798 VanDerWaalsContact O-C 3.31Å; V795-M798 WeakPolarHBondContact O-CA 3.41Å; V795-M798 PolarHBondContact O-N 2.95Å; V795-S799 PolarHBondContact O-N 2.91Å; V795-V828 HydrophobicContact CG2-CG1 4.34Å; V795-Y831 HydrophobicContact CB-CD1 3.86Å; V795-Y831 HydrophobicContact CB-CE1 3.82Å; V795-Y831 HydrophobicContact CB-CG 4.4Å; V795-Y831 HydrophobicContact CG1-CE1 4.35Å; V795-Y831 HydrophobicContact CG2-CD1 3.48Å; V795-Y831 VanDerWaalsContact CG2-CD1 3.48Å; V795-Y831 HydrophobicContact CG2-CE1 4Å; V795-Y831 HydrophobicContact CG2-CG 3.77Å; V795-C835 HydrophobicContact CG1-CB 3.76Å
796	D	96.6	Very high	96	Very high	46 Å²	46	9.6 Å²	9.6	25%	0.246	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-57.6	-43.3	-156.4	-49.2	-39.3	0	0	0	114.2	M798 S799 S806 M807 G808	D796-M798 PolarHBondContact O-N 3.24Å; D796-S799 WeakPolarHBondContact CA-OG 3.25Å; D796-S799 WeakPolarHBondContact O-CB 3.31Å; D796-S799 PolarHBondContact O-N 2.94Å; D796-S799 PolarHBondContact O-OG 2.8Å; D796-S806 WeakPolarHBondContact OD1-CB 3.38Å; D796-S806 PolarHBondContact OD1-OG 2.98Å; D796-M807 PolarHBondContact OD1-N 3.48Å; D796-G808 WeakPolarHBondContact OD1-CA 3.24Å; D796-G808 PolarHBondContact OD1-N 3.41Å
797	S	95.4	Very high	96.1	Very high	18 Å²	18	9.1 Å²	9.1	13%	0.126	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-66.9	-11.1	176.6	58	0	0	0	0	115.1	V795 S832 C835 E836 R839	V795-S797 PolarHBondContact O-N 3.22Å; V795-S797 VanDerWaalsContact O-N 3.16Å; S797-S832 WeakPolarHBondContact CB-O 3.43Å; S797-S832 PolarHBondContact N-OG 3.44Å; S797-S832 VanDerWaalsContact N-OG 3.09Å; S797-S832 PolarHBondContact OG-O 3.27Å; S797-S832 PolarHBondContact OG-OG 2.88Å; S797-C835 VanDerWaalsContact OG-CB 3.32Å; S797-C835 WeakPolarHBondContact OG-CB 3.3Å; S797-E836 PolarHBondContact OG-N 2.97Å; S797-R839 WeakPolarHBondContact O-CD 3.41Å; S797-R839 PolarHBondContact O-NH1 3.06Å
798	M	95.9	Very high	96.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-117.4	11	174.3	-69	-66.1	-60.2	0	0	112.3	T566 A570 H571 L574 L575 V795 D796 S803 C835 M838 R839	T566-M798 HydrophobicContact CG2-CB 4.22Å; T566-M798 HydrophobicContact CG2-CG 4.18Å; A570-M798 HydrophobicContact CB-CB 4.35Å; A570-M798 HydrophobicContact CB-CE 4.34Å; H571-M798 HydrophobicContact CB-CE 3.7Å; L574-M798 HydrophobicContact CD1-CE 4.34Å; L574-M798 WeakPolarHBondContact CD1-O 3.49Å; L575-M798 HydrophobicContact CD1-CE 3.83Å; L575-M798 HydrophobicContact CD1-SD 4.14Å; L575-M798 HydrophobicContact CG-CE 4.43Å; V795-M798 HydrophobicContact CG1-CB 4.07Å; V795-M798 HydrophobicContact CG1-CG 4.28Å; V795-M798 CarbonylContact O-C 2.93Å; V795-M798 VanDerWaalsContact O-C 3.31Å; V795-M798 WeakPolarHBondContact O-CA 3.41Å; V795-M798 PolarHBondContact O-N 2.95Å; D796-M798 PolarHBondContact O-N 3.24Å; M798-S803 WeakPolarHBondContact O-CB 3.27Å; M798-S803 PolarHBondContact O-OG 3.5Å; M798-C835 HydrophobicContact CG-CB 3.99Å; M798-M838 HydrophobicContact SD-CE 4.36Å; M798-R839 HydrophobicContact SD-CB 4.29Å; M798-R839 HydrophobicContact SD-CG 4.3Å
799	S	95.3	Very high	96.2	Very high	19 Å²	19	9.2 Å²	9.2	13%	0.133	6%	0.061	C	C	.	.			trans	-102.7	175.6	-179.1	78.5	0	0	0	0	112.9	V795 D796 Q804 S806	V795-S799 PolarHBondContact O-N 2.91Å; D796-S799 WeakPolarHBondContact CA-OG 3.25Å; D796-S799 WeakPolarHBondContact O-CB 3.31Å; D796-S799 PolarHBondContact O-N 2.94Å; D796-S799 PolarHBondContact O-OG 2.8Å; S799-Q804 WeakPolarHBondContact CA-O 3.22Å; S799-Q804 WeakPolarHBondContact CB-O 3.4Å; S799-S806 WeakPolarHBondContact OG-CB 3.4Å
800	G	92.5	Very high	96.1	Very high	12 Å²	12	8.6 Å²	8.6	12%	0.124	6%	0.058	C	C	.	.	S	Bend	trans	74.5	175.9	175.7	0	0	0	0	0	113.9	T802 S803 Q804	G800-T802 PolarHBondContact O-N 2.97Å; G800-S803 WeakPolarHBondContact O-CA 3.44Å; G800-S803 WeakPolarHBondContact O-CB 3.39Å; G800-S803 PolarHBondContact O-N 2.94Å; G800-Q804 PolarHBondContact N-O 2.7Å
801	M	89.7	Confident	96	Very high	30 Å²	30	8.8 Å²	8.8	15%	0.148	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-133.2	-177.3	-56	179.6	-74.7	0	0	110.7	L574 D771 T772 S803 T848 M851	L574-M801 HydrophobicContact CD2-CB 4.41Å; L574-M801 HydrophobicContact CD2-CE 3.95Å; D771-M801 CarbonylContact C-O 3.47Å; D771-M801 VanDerWaalsContact O-O 3.08Å; T772-M801 WeakPolarHBondContact CA-O 3.19Å; T772-M801 PolarHBondContact N-O 2.64Å; M801-S803 PolarHBondContact O-N 3.47Å; M801-S803 VanDerWaalsContact O-N 3.13Å; M801-T848 HydrophobicContact CE-CG2 3.62Å; M801-T848 HydrophobicContact SD-CG2 3.64Å; M801-M851 HydrophobicContact CB-CE 3.76Å; M801-M851 HydrophobicContact CG-CE 4.37Å; M801-M851 HydrophobicContact SD-CE 4.43Å
802	T	91.2	Very high	96	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-3	176.5	47.8	0	0	0	0	114.4	S573 H770 G800 M851 G865	S573-T802 WeakPolarHBondContact CB-O 3.2Å; S573-T802 PolarHBondContact O-OG1 3.49Å; S573-T802 PolarHBondContact OG-O 2.93Å; H770-T802 PolarHBondContact ND1-O 2.97Å; G800-T802 PolarHBondContact O-N 2.97Å; T802-M851 HydrophobicContact CG2-CE 3.96Å; T802-M851 HydrophobicContact CG2-SD 4.41Å; T802-G865 WeakPolarHBondContact CG2-O 3.45Å
803	S	94	Very high	95.8	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.098	C	C	.	.	S	Bend	trans	-85.6	-173.5	177.3	-159.2	0	0	0	0	113	A570 H770 D771 M798 G800 M801	A570-S803 VanDerWaalsContact CA-OG 3.31Å; A570-S803 WeakPolarHBondContact CA-OG 3.3Å; A570-S803 WeakPolarHBondContact CB-OG 3.28Å; H770-S803 CarbonylContact C-O 3.55Å; H770-S803 WeakPolarHBondContact CA-O 3.31Å; D771-S803 PolarHBondContact N-O 2.9Å; M798-S803 WeakPolarHBondContact O-CB 3.27Å; M798-S803 PolarHBondContact O-OG 3.5Å; G800-S803 WeakPolarHBondContact O-CA 3.44Å; G800-S803 WeakPolarHBondContact O-CB 3.39Å; G800-S803 PolarHBondContact O-N 2.94Å; M801-S803 PolarHBondContact O-N 3.47Å; M801-S803 VanDerWaalsContact O-N 3.13Å
804	Q	95.8	Very high	95.7	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-72.2	162	169.5	-87.6	57.8	63.7	0	0	112.4	T565 H768 S769 H770 D792 A794 S799 G800	T565-Q804 HydrophobicContact CG2-CG 3.91Å; T565-Q804 WeakPolarHBondContact OG1-CG 3.2Å; T565-Q804 PolarHBondContact OG1-OE1 3.14Å; H768-Q804 PolarHBondContact CE1-NE2 2.99Å; S769-Q804 PolarHBondContact O-NE2 2.87Å; H770-Q804 PolarHBondContact CE1-NE2 2.88Å; H770-Q804 PolarHBondContact ND1-NE2 2.8Å; D792-Q804 HydrophobicContact CB-CG 4.14Å; A794-Q804 HydrophobicContact CB-CB 3.98Å; S799-Q804 WeakPolarHBondContact CA-O 3.22Å; S799-Q804 WeakPolarHBondContact CB-O 3.4Å; G800-Q804 PolarHBondContact N-O 2.7Å
805	P	96.7	Very high	95.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-59.6	156.8	168.9	24.3	-33.1	0	0	0	113	A776 V777 M780 V793 A794 M807	A776-P805 HydrophobicContact CB-CB 4.2Å; A776-P805 HydrophobicContact CB-CG 4.14Å; V777-P805 HydrophobicContact CB-CB 4.39Å; V777-P805 HydrophobicContact CG2-CB 3.6Å; M780-P805 HydrophobicContact CG-CG 3.75Å; V793-P805 WeakPolarHBondContact CA-O 3.49Å; A794-P805 PolarHBondContact N-O 3.35Å; P805-M807 PolarHBondContact O-N 3.36Å
806	S	97.7	Very high	95.3	Very high	21 Å²	21	22.1 Å²	22.1	15%	0.147	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-65.5	126.2	-177.5	155.3	0	0	0	0	112.9	D796 S799 G808 A809 M810	D796-S806 WeakPolarHBondContact OD1-CB 3.38Å; D796-S806 PolarHBondContact OD1-OG 2.98Å; S799-S806 WeakPolarHBondContact OG-CB 3.4Å; S806-G808 PolarHBondContact OG-N 2.97Å; S806-A809 PolarHBondContact O-N 3.49Å; S806-A809 WeakPolarHBondContact OG-CB 3.37Å; S806-A809 PolarHBondContact OG-N 3.48Å; S806-M810 WeakPolarHBondContact O-CG 3.4Å; S806-M810 PolarHBondContact O-N 3.47Å; S806-M810 VanDerWaalsContact O-N 3.09Å
807	M	97.9	Very high	95.2	Very high	0 Å²	0	23 Å²	23	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-46.7	171.9	-179.2	-173.7	-64.5	0	0	111.4	L562 D564 L595 L598 V793 A794 D796 P805 A809 M810 V811 V828 Y831	L562-M807 HydrophobicContact CD1-CG 4.12Å; D564-M807 HydrophobicContact CB-CE 3.66Å; L595-M807 HydrophobicContact CD1-SD 4.48Å; L598-M807 HydrophobicContact CD2-CE 4.3Å; V793-M807 HydrophobicContact CB-CB 4.04Å; V793-M807 HydrophobicContact CG2-CB 3.74Å; V793-M807 HydrophobicContact CG2-CE 3.88Å; V793-M807 HydrophobicContact CG2-CG 3.89Å; A794-M807 VanDerWaalsContact O-CB 3.3Å; A794-M807 WeakPolarHBondContact O-CB 3.23Å; A794-M807 PolarHBondContact O-N 2.68Å; D796-M807 PolarHBondContact OD1-N 3.48Å; P805-M807 PolarHBondContact O-N 3.36Å; M807-A809 VanDerWaalsContact C-N 3.34Å; M807-A809 PolarHBondContact O-N 3.44Å; M807-M810 PolarHBondContact O-N 2.92Å; M807-V811 HydrophobicContact CG-CG2 4.35Å; M807-V811 WeakPolarHBondContact O-CB 3.45Å; M807-V811 VanDerWaalsContact O-CG2 3.28Å; M807-V811 WeakPolarHBondContact O-CG2 3.49Å; M807-V811 PolarHBondContact O-N 2.92Å; M807-V828 HydrophobicContact CB-CG1 4.24Å; M807-V828 HydrophobicContact CG-CG1 3.94Å; M807-V828 HydrophobicContact CG-CG2 4.3Å; M807-V828 HydrophobicContact SD-CB 4.5Å; M807-V828 HydrophobicContact SD-CG1 3.81Å; M807-V828 HydrophobicContact SD-CG2 3.95Å; M807-Y831 HydrophobicContact CE-CE1 4.35Å
808	G	97.3	Very high	95.2	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-39.5	179.1	0	0	0	0	0	112.5	D796 S806 A812 L825	D796-G808 WeakPolarHBondContact OD1-CA 3.24Å; D796-G808 PolarHBondContact OD1-N 3.41Å; S806-G808 PolarHBondContact OG-N 2.97Å; G808-A812 WeakPolarHBondContact O-CB 3.31Å; G808-A812 PolarHBondContact O-N 3.23Å; G808-L825 WeakPolarHBondContact O-CD1 3.48Å
809	A	96.7	Very high	95.1	Very high	30 Å²	30	32.3 Å²	32.3	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-49	173.5	0	0	0	0	0	111.6	V777 S806 M807 V811 A812 I813	V777-A809 HydrophobicContact CG1-CB 4.18Å; S806-A809 PolarHBondContact O-N 3.49Å; S806-A809 WeakPolarHBondContact OG-CB 3.37Å; S806-A809 PolarHBondContact OG-N 3.48Å; M807-A809 VanDerWaalsContact C-N 3.34Å; M807-A809 PolarHBondContact O-N 3.44Å; A809-V811 PolarHBondContact O-N 3.28Å; A809-A812 PolarHBondContact O-N 3.49Å; A809-I813 HydrophobicContact CB-CD1 4.48Å; A809-I813 WeakPolarHBondContact O-CB 3.32Å; A809-I813 WeakPolarHBondContact O-CD1 3.3Å; A809-I813 WeakPolarHBondContact O-CG1 3.16Å; A809-I813 PolarHBondContact O-N 3.44Å
810	M	97.2	Very high	95.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.5	-42.7	177.7	-69.8	-56.2	-56.6	0	0	112.3	L562 V777 M780 V791 V793 S806 M807 L814	L562-M810 HydrophobicContact CD1-CB 4.37Å; L562-M810 HydrophobicContact CD2-CB 4.36Å; V777-M810 HydrophobicContact CG1-SD 4.08Å; M780-M810 HydrophobicContact CB-CE 4.13Å; M780-M810 HydrophobicContact CB-SD 4.09Å; V791-M810 HydrophobicContact CG2-CE 4.38Å; V793-M810 HydrophobicContact CG1-CB 4.25Å; V793-M810 HydrophobicContact CG1-CG 3.83Å; S806-M810 WeakPolarHBondContact O-CG 3.4Å; S806-M810 PolarHBondContact O-N 3.47Å; S806-M810 VanDerWaalsContact O-N 3.09Å; M807-M810 PolarHBondContact O-N 2.92Å; M810-L814 HydrophobicContact CE-CD1 3.93Å; M810-L814 HydrophobicContact CE-CG 4.37Å; M810-L814 WeakPolarHBondContact O-CB 3.27Å; M810-L814 VanDerWaalsContact O-CG 3.27Å; M810-L814 WeakPolarHBondContact O-CG 3.47Å; M810-L814 PolarHBondContact O-N 3.3Å; M810-L814 VanDerWaalsContact O-N 3.14Å
811	V	96.9	Very high	95.3	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.03	22%	0.223	C	C	.	.	H	α-helix	trans	-61.7	-44.1	175.4	170.5	0	0	0	0	111.2	L562 M807 A809 S815 M823 L825 V828	L562-V811 HydrophobicContact CD1-CG2 3.69Å; M807-V811 HydrophobicContact CG-CG2 4.35Å; M807-V811 WeakPolarHBondContact O-CB 3.45Å; M807-V811 VanDerWaalsContact O-CG2 3.28Å; M807-V811 WeakPolarHBondContact O-CG2 3.49Å; M807-V811 PolarHBondContact O-N 2.92Å; A809-V811 PolarHBondContact O-N 3.28Å; V811-S815 WeakPolarHBondContact O-CB 3.3Å; V811-S815 PolarHBondContact O-N 2.89Å; V811-M823 HydrophobicContact CG1-CB 4.37Å; V811-M823 WeakPolarHBondContact CG1-O 3.44Å; V811-M823 HydrophobicContact CG2-CB 4.15Å; V811-M823 HydrophobicContact CG2-CE 4.39Å; V811-L825 HydrophobicContact CG1-CB 4.44Å; V811-V828 HydrophobicContact CG2-CG2 4.42Å
812	A	96.6	Very high	95.4	Very high	50 Å²	50	35.7 Å²	35.7	41%	0.413	24%	0.236	S	C	.	.	H	α-helix	trans	-70.3	-39.6	-179	0	0	0	0	0	113.4	G808 A809 S815 L825	G808-A812 WeakPolarHBondContact O-CB 3.31Å; G808-A812 PolarHBondContact O-N 3.23Å; A809-A812 PolarHBondContact O-N 3.49Å; A812-S815 WeakPolarHBondContact O-CB 3.48Å; A812-L825 HydrophobicContact CB-CD2 4.19Å
813	I	95.8	Very high	95.6	Very high	79 Å²	79	36.4 Å²	36.4	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-70.8	-36.7	-178.7	-69.8	165.6	0	0	0	111.6	V777 L781 A809	V777-I813 HydrophobicContact CG1-CD1 3.83Å; L781-I813 HydrophobicContact CD1-CG2 3.93Å; L781-I813 HydrophobicContact CD2-CG2 4.02Å; A809-I813 HydrophobicContact CB-CD1 4.48Å; A809-I813 WeakPolarHBondContact O-CB 3.32Å; A809-I813 WeakPolarHBondContact O-CD1 3.3Å; A809-I813 WeakPolarHBondContact O-CG1 3.16Å; A809-I813 PolarHBondContact O-N 3.44Å
814	L	95.7	Very high	95.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-85.7	-12.2	-179.4	-60.1	176.7	0	0	0	113.3	T560 L781 M810 G816 T817 L819 E820 T821	T560-L814 HydrophobicContact CG2-CD1 4.41Å; L781-L814 HydrophobicContact CD1-CD2 3.73Å; M810-L814 HydrophobicContact CE-CD1 3.93Å; M810-L814 HydrophobicContact CE-CG 4.37Å; M810-L814 WeakPolarHBondContact O-CB 3.27Å; M810-L814 VanDerWaalsContact O-CG 3.27Å; M810-L814 WeakPolarHBondContact O-CG 3.47Å; M810-L814 PolarHBondContact O-N 3.3Å; M810-L814 VanDerWaalsContact O-N 3.14Å; L814-G816 PolarHBondContact O-N 3.47Å; L814-T817 WeakPolarHBondContact O-CB 3.26Å; L814-T817 PolarHBondContact O-N 3.15Å; L814-T817 PolarHBondContact O-OG1 3.41Å; L814-L819 HydrophobicContact CD2-CB 3.91Å; L814-L819 HydrophobicContact CD2-CD1 4.4Å; L814-E820 VanDerWaalsContact O-CA 3.29Å; L814-E820 WeakPolarHBondContact O-CA 3.38Å; L814-E820 WeakPolarHBondContact O-CB 3.3Å; L814-E820 PolarHBondContact O-N 3.36Å; L814-T821 HydrophobicContact CB-CG2 4.32Å; L814-T821 HydrophobicContact CD1-CG2 3.79Å
815	S	94.6	Very high	95.5	Very high	77 Å²	77	46.6 Å²	46.6	54%	0.538	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.5	178.4	-174.3	0	0	0	0	111.8	V811 A812 T817	V811-S815 WeakPolarHBondContact O-CB 3.3Å; V811-S815 PolarHBondContact O-N 2.89Å; A812-S815 WeakPolarHBondContact O-CB 3.48Å; S815-T817 VanDerWaalsContact C-N 3.31Å
816	G	92.5	Very high	95.4	Very high	71 Å²	71	49.8 Å²	49.8	73%	0.732	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	13.3	-177.3	0	0	0	0	0	115.2	L814 E820	L814-G816 PolarHBondContact O-N 3.47Å; G816-E820 PolarHBondContact N-OE2 2.81Å
817	T	94.8	Very high	95.3	Very high	65 Å²	65	49.8 Å²	49.8	40%	0.399	31%	0.307	S	S	.	.	S	Bend	trans	-111	165.3	173.5	75.7	0	0	0	0	111.1	L814 S815 L819 E820	L814-T817 WeakPolarHBondContact O-CB 3.26Å; L814-T817 PolarHBondContact O-N 3.15Å; L814-T817 PolarHBondContact O-OG1 3.41Å; S815-T817 VanDerWaalsContact C-N 3.31Å; T817-L819 PolarHBondContact O-N 2.95Å; T817-L819 PolarHBondContact OG1-N 2.98Å; T817-L819 VanDerWaalsContact OG1-N 3.16Å; T817-E820 WeakPolarHBondContact O-CB 3.39Å; T817-E820 PolarHBondContact O-N 2.65Å
818	D	93.6	Very high	95.2	Very high	163 Å²	163	49.8 Å²	49.8	87%	0.872	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.2	171.4	-68.3	-47.7	0	0	0	113.7
819	L	95.5	Very high	95.1	Very high	50 Å²	50	52.1 Å²	52.1	26%	0.262	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	9	178.5	-63.3	178.8	0	0	0	113.2	T560 A784 E785 L814 T817	T560-L819 PolarHBondContact N-O 3.08Å; T560-L819 PolarHBondContact OG1-O 3.14Å; A784-L819 HydrophobicContact CB-CD1 4.18Å; E785-L819 HydrophobicContact CG-CD1 4.39Å; L814-L819 HydrophobicContact CD2-CB 3.91Å; L814-L819 HydrophobicContact CD2-CD1 4.4Å; T817-L819 PolarHBondContact O-N 2.95Å; T817-L819 PolarHBondContact OG1-N 2.98Å; T817-L819 VanDerWaalsContact OG1-N 3.16Å
820	E	95.8	Very high	95.1	Very high	86 Å²	86	54.4 Å²	54.4	40%	0.402	33%	0.328	S	S	.	.			trans	-53.7	138	-177.3	-176.2	175.8	124.7	0	0	113.5	G559 L814 G816 T817	G559-E820 WeakPolarHBondContact CA-O 3.39Å; L814-E820 VanDerWaalsContact O-CA 3.29Å; L814-E820 WeakPolarHBondContact O-CA 3.38Å; L814-E820 WeakPolarHBondContact O-CB 3.3Å; L814-E820 PolarHBondContact O-N 3.36Å; G816-E820 PolarHBondContact N-OE2 2.81Å; T817-E820 WeakPolarHBondContact O-CB 3.39Å; T817-E820 PolarHBondContact O-N 2.65Å
821	T	95.3	Very high	95.1	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.037	33%	0.328	C	S	.	.			trans	-84	-7	-174.2	68	0	0	0	0	114.7	T560 L562 L814 M823	T560-T821 WeakPolarHBondContact O-CG2 3.48Å; L562-T821 HydrophobicContact CD1-CG2 4.1Å; L562-T821 HydrophobicContact CD2-CG2 4.17Å; L562-T821 HydrophobicContact CG-CG2 3.99Å; L814-T821 HydrophobicContact CB-CG2 4.32Å; L814-T821 HydrophobicContact CD1-CG2 3.79Å; T821-M823 PolarHBondContact O-N 2.92Å; T821-M823 VanDerWaalsContact O-N 3.14Å; T821-M823 PolarHBondContact OG1-N 2.89Å
822	G	92.1	Very high	95.1	Very high	40 Å²	40	54.8 Å²	54.8	41%	0.412	33%	0.331	S	S	.	.			trans	65.7	6	-174.3	0	0	0	0	0	115.8	Q597	Q597-G822 PolarHBondContact NE2-O 2.7Å
823	M	94.4	Very high	95.1	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.079	33%	0.332	C	S	.	.			trans	-95	150	179	-78.3	174.1	-76.2	0	0	112.7	L562 L595 Q597 L598 V811 T821	L562-M823 HydrophobicContact CB-CE 3.94Å; L562-M823 HydrophobicContact CD1-CE 3.67Å; L562-M823 HydrophobicContact CG-CE 3.74Å; L595-M823 HydrophobicContact CD2-CG 4.28Å; L595-M823 HydrophobicContact CD2-SD 4.19Å; Q597-M823 HydrophobicContact CB-CG 3.72Å; Q597-M823 HydrophobicContact CB-SD 4.24Å; Q597-M823 HydrophobicContact CG-CG 4.01Å; L598-M823 HydrophobicContact CD2-CE 4.35Å; L598-M823 HydrophobicContact CD2-SD 3.93Å; L598-M823 HydrophobicContact CG-SD 4.16Å; V811-M823 HydrophobicContact CG1-CB 4.37Å; V811-M823 WeakPolarHBondContact CG1-O 3.44Å; V811-M823 HydrophobicContact CG2-CB 4.15Å; V811-M823 HydrophobicContact CG2-CE 4.39Å; T821-M823 PolarHBondContact O-N 2.92Å; T821-M823 VanDerWaalsContact O-N 3.14Å; T821-M823 PolarHBondContact OG1-N 2.89Å
824	K	93.1	Very high	95.1	Very high	136 Å²	136	51.8 Å²	51.8	59%	0.591	31%	0.313	S	S	*	.			trans	-92.9	121.1	178.1	-71.2	-178.9	175.2	-173.2	0	110.9	S826 D827 V828	K824-S826 PolarHBondContact O-N 3.43Å; K824-S826 VanDerWaalsContact O-N 3.16Å; K824-D827 HydrophobicContact CB-CB 4.4Å; K824-D827 WeakPolarHBondContact CB-OD2 3.45Å; K824-D827 WeakPolarHBondContact CD-OD2 3.3Å; K824-D827 PolarHBondContact O-N 2.95Å; K824-V828 PolarHBondContact O-N 3.48Å
825	L	94.9	Very high	95.2	Very high	78 Å²	78	51.8 Å²	51.8	41%	0.408	31%	0.313	S	S	.	.	H	α-helix	trans	-52.7	-38.4	174.9	-173.7	62.6	0	0	0	112.3	G808 V811 A812 D827 V828 S829	G808-L825 WeakPolarHBondContact O-CD1 3.48Å; V811-L825 HydrophobicContact CG1-CB 4.44Å; A812-L825 HydrophobicContact CB-CD2 4.19Å; L825-D827 PolarHBondContact O-N 3.42Å; L825-V828 PolarHBondContact O-N 3.02Å; L825-S829 PolarHBondContact O-N 3.23Å; L825-S829 PolarHBondContact O-OG 2.85Å
826	S	94.8	Very high	95.2	Very high	67 Å²	67	53.6 Å²	53.6	47%	0.469	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-26.4	177.4	59.3	0	0	0	0	114.9	K824 K830	K824-S826 PolarHBondContact O-N 3.43Å; K824-S826 VanDerWaalsContact O-N 3.16Å; S826-K830 WeakPolarHBondContact O-CE 3.27Å; S826-K830 WeakPolarHBondContact O-CG 3.48Å
827	D	95	Very high	95.3	Very high	20 Å²	20	52.3 Å²	52.3	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-93.3	-30.2	-179.5	-61.9	-44	0	0	0	111.1	F590 A594 K824 L825 K830 Y831	F590-D827 HydrophobicContact CZ-CB 4.31Å; A594-D827 HydrophobicContact CB-CB 4.31Å; K824-D827 HydrophobicContact CB-CB 4.4Å; K824-D827 WeakPolarHBondContact CB-OD2 3.45Å; K824-D827 WeakPolarHBondContact CD-OD2 3.3Å; K824-D827 PolarHBondContact O-N 2.95Å; L825-D827 PolarHBondContact O-N 3.42Å; D827-K830 PolarHBondContact O-N 3.28Å; D827-K830 IonicContact OD1-NZ 2.69Å; D827-K830 PolarHBondContact OD1-NZ 3.3Å; D827-Y831 PolarHBondContact O-N 3.04Å
828	V	95.9	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.2	-42.6	164.9	-179.5	0	0	0	0	111	L595 V795 M807 V811 K824 L825 K830 Y831 S832	L595-V828 HydrophobicContact CD2-CG2 4.12Å; V795-V828 HydrophobicContact CG2-CG1 4.34Å; M807-V828 HydrophobicContact CB-CG1 4.24Å; M807-V828 HydrophobicContact CG-CG1 3.94Å; M807-V828 HydrophobicContact CG-CG2 4.3Å; M807-V828 HydrophobicContact SD-CB 4.5Å; M807-V828 HydrophobicContact SD-CG1 3.81Å; M807-V828 HydrophobicContact SD-CG2 3.95Å; V811-V828 HydrophobicContact CG2-CG2 4.42Å; K824-V828 PolarHBondContact O-N 3.48Å; L825-V828 PolarHBondContact O-N 3.02Å; V828-K830 PolarHBondContact O-N 2.79Å; V828-Y831 WeakPolarHBondContact O-CB 3.48Å; V828-Y831 PolarHBondContact O-N 3.41Å; V828-S832 WeakPolarHBondContact O-CB 3.19Å; V828-S832 PolarHBondContact O-N 3.16Å
829	S	96.3	Very high	95.4	Very high	54 Å²	54	43.3 Å²	43.3	38%	0.378	24%	0.238	S	C	.	.	H	α-helix	trans	-61.3	-41.2	177.1	-55.2	0	0	0	0	112.7	L825 S832 S833	L825-S829 PolarHBondContact O-N 3.23Å; L825-S829 PolarHBondContact O-OG 2.85Å; S829-S832 WeakPolarHBondContact O-CB 3.16Å; S829-S832 PolarHBondContact O-N 2.95Å; S829-S833 PolarHBondContact O-N 2.81Å; S829-S833 PolarHBondContact O-OG 2.92Å
830	K	96.3	Very high	95.4	Very high	78 Å²	78	44.7 Å²	44.7	34%	0.339	25%	0.245	S	C	.	.	H	α-helix	trans	-62.2	-42.9	175.6	-68.7	166.5	-165.1	167	0	112.1	P527 F590 S826 D827 V828 S832 S833 Y834	P527-K830 HydrophobicContact CB-CB 4.05Å; P527-K830 HydrophobicContact CB-CD 4.49Å; P527-K830 HydrophobicContact CG-CB 3.89Å; F590-K830 HydrophobicContact CE1-CB 4.39Å; F590-K830 HydrophobicContact CE2-CB 4.37Å; F590-K830 HydrophobicContact CE2-CD 4.09Å; F590-K830 HydrophobicContact CZ-CB 3.8Å; F590-K830 HydrophobicContact CZ-CD 3.95Å; S826-K830 WeakPolarHBondContact O-CE 3.27Å; S826-K830 WeakPolarHBondContact O-CG 3.48Å; D827-K830 PolarHBondContact O-N 3.28Å; D827-K830 IonicContact OD1-NZ 2.69Å; D827-K830 PolarHBondContact OD1-NZ 3.3Å; V828-K830 PolarHBondContact O-N 2.79Å; K830-S832 VanDerWaalsContact C-N 3.32Å; K830-S833 PolarHBondContact O-N 3.35Å; K830-Y834 PolarHBondContact O-N 3.02Å
831	Y	96.7	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-42	174.2	-179.6	-153.9	0	0	0	110.9	D564 T566 F567 I587 V591 L595 V795 M807 D827 V828 Y834 C835	D564-Y831 VanDerWaalsContact OD2-CE1 3.3Å; D564-Y831 WeakPolarHBondContact OD2-CE1 3.41Å; D564-Y831 PolarHBondContact OD2-OH 3.32Å; T566-Y831 WeakPolarHBondContact CB-OH 3.28Å; F567-Y831 HydrophobicContact CE1-CE2 4.38Å; F567-Y831 VanDerWaalsContact CE1-OH 3.29Å; F567-Y831 WeakPolarHBondContact CE1-OH 3.35Å; I587-Y831 HydrophobicContact CD1-CD2 4.44Å; I587-Y831 HydrophobicContact CG1-CD2 3.78Å; I587-Y831 HydrophobicContact CG1-CE2 4.01Å; I587-Y831 HydrophobicContact CG2-CE2 4.48Å; V591-Y831 HydrophobicContact CG2-CD2 4.09Å; V591-Y831 HydrophobicContact CG2-CE1 4.34Å; V591-Y831 HydrophobicContact CG2-CE2 3.78Å; V591-Y831 HydrophobicContact CG2-CG 4.5Å; L595-Y831 HydrophobicContact CD1-CD1 3.71Å; L595-Y831 HydrophobicContact CD1-CE1 4.2Å; V795-Y831 HydrophobicContact CB-CD1 3.86Å; V795-Y831 HydrophobicContact CB-CE1 3.82Å; V795-Y831 HydrophobicContact CB-CG 4.4Å; V795-Y831 HydrophobicContact CG1-CE1 4.35Å; V795-Y831 HydrophobicContact CG2-CD1 3.48Å; V795-Y831 VanDerWaalsContact CG2-CD1 3.48Å; V795-Y831 HydrophobicContact CG2-CE1 4Å; V795-Y831 HydrophobicContact CG2-CG 3.77Å; M807-Y831 HydrophobicContact CE-CE1 4.35Å; D827-Y831 PolarHBondContact O-N 3.04Å; V828-Y831 WeakPolarHBondContact O-CB 3.48Å; V828-Y831 PolarHBondContact O-N 3.41Å; Y831-Y834 PolarHBondContact O-N 3.35Å; Y831-C835 VanDerWaalsContact CE2-SG 3.58Å; Y831-C835 PolarHBondContact O-N 3.24Å
832	S	97	Very high	95.3	Very high	13 Å²	13	40.8 Å²	40.8	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-45.9	176.4	-163.8	0	0	0	0	112.6	S797 V828 S829 K830 Y834 C835 E836	S797-S832 WeakPolarHBondContact CB-O 3.43Å; S797-S832 PolarHBondContact N-OG 3.44Å; S797-S832 VanDerWaalsContact N-OG 3.09Å; S797-S832 PolarHBondContact OG-O 3.27Å; S797-S832 PolarHBondContact OG-OG 2.88Å; V828-S832 WeakPolarHBondContact O-CB 3.19Å; V828-S832 PolarHBondContact O-N 3.16Å; S829-S832 WeakPolarHBondContact O-CB 3.16Å; S829-S832 PolarHBondContact O-N 2.95Å; K830-S832 VanDerWaalsContact C-N 3.32Å; S832-Y834 PolarHBondContact O-N 2.77Å; S832-C835 CarbonylContact O-C 3.58Å; S832-C835 PolarHBondContact O-N 2.8Å; S832-C835 VanDerWaalsContact O-N 3.13Å; S832-E836 WeakPolarHBondContact O-CB 3.37Å; S832-E836 PolarHBondContact O-N 3.04Å
833	S	96.5	Very high	95.2	Very high	64 Å²	64	39.1 Å²	39.1	45%	0.448	21%	0.209	S	C	.	.	H	α-helix	trans	-64.5	-34.5	178.3	-58.3	0	0	0	0	113.6	S829 K830 T837	S829-S833 PolarHBondContact O-N 2.81Å; S829-S833 PolarHBondContact O-OG 2.92Å; K830-S833 PolarHBondContact O-N 3.35Å; S833-T837 PolarHBondContact O-N 2.98Å; S833-T837 PolarHBondContact O-OG1 3.31Å
834	Y	97.2	Very high	95	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-51.6	169.2	176.7	-85.9	0	0	0	110.5	P524 E525 V526 D583 R586 I587 K830 Y831 S832 E836 T837 M838	P524-Y834 HydrophobicContact CB-CD2 3.88Å; P524-Y834 HydrophobicContact CB-CE2 3.49Å; P524-Y834 VanDerWaalsContact CB-CE2 3.49Å; E525-Y834 WeakPolarHBondContact O-CD2 3.26Å; V526-Y834 HydrophobicContact CG2-CD2 4.2Å; V526-Y834 HydrophobicContact CG2-CE2 3.76Å; D583-Y834 PolarHBondContact O-OH 2.92Å; D583-Y834 VanDerWaalsContact O-OH 3.05Å; R586-Y834 PolarHBondContact NH1-OH 3.43Å; I587-Y834 HydrophobicContact CB-CD1 3.63Å; I587-Y834 HydrophobicContact CB-CD2 4.36Å; I587-Y834 HydrophobicContact CB-CE1 3.6Å; I587-Y834 HydrophobicContact CB-CE2 4.31Å; I587-Y834 HydrophobicContact CB-CG 4.06Å; I587-Y834 HydrophobicContact CD1-CD1 4.01Å; I587-Y834 HydrophobicContact CD1-CD2 3.99Å; I587-Y834 HydrophobicContact CD1-CG 3.63Å; I587-Y834 HydrophobicContact CG1-CD1 3.68Å; I587-Y834 HydrophobicContact CG1-CD2 4.46Å; I587-Y834 HydrophobicContact CG1-CE1 4.2Å; I587-Y834 HydrophobicContact CG1-CG 3.86Å; I587-Y834 HydrophobicContact CG2-CD1 4.03Å; I587-Y834 HydrophobicContact CG2-CE1 3.78Å; K830-Y834 PolarHBondContact O-N 3.02Å; Y831-Y834 PolarHBondContact O-N 3.35Å; S832-Y834 PolarHBondContact O-N 2.77Å; Y834-E836 VanDerWaalsContact C-N 3.29Å; Y834-E836 PolarHBondContact O-N 3.24Å; Y834-T837 PolarHBondContact O-N 3.11Å; Y834-M838 HydrophobicContact CD1-CB 4.41Å; Y834-M838 HydrophobicContact CE1-CB 4.04Å; Y834-M838 HydrophobicContact CE1-CG 4.33Å; Y834-M838 HydrophobicContact CE1-SD 4.01Å; Y834-M838 WeakPolarHBondContact O-CB 3.49Å; Y834-M838 PolarHBondContact O-N 3.1Å
835	C	96.6	Very high	94.8	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-29.2	-176.7	-74.8	0	0	0	0	113.1	V795 S797 M798 Y831 S832 M838 R839	V795-C835 HydrophobicContact CG1-CB 3.76Å; S797-C835 VanDerWaalsContact OG-CB 3.32Å; S797-C835 WeakPolarHBondContact OG-CB 3.3Å; M798-C835 HydrophobicContact CG-CB 3.99Å; Y831-C835 VanDerWaalsContact CE2-SG 3.58Å; Y831-C835 PolarHBondContact O-N 3.24Å; S832-C835 CarbonylContact O-C 3.58Å; S832-C835 PolarHBondContact O-N 2.8Å; S832-C835 VanDerWaalsContact O-N 3.13Å; C835-M838 HydrophobicContact CB-CE 4.44Å; C835-R839 VanDerWaalsContact O-CB 3.28Å; C835-R839 WeakPolarHBondContact O-CB 3.24Å; C835-R839 PolarHBondContact O-N 3.28Å
836	E	95.2	Very high	94.5	Very high	115 Å²	115	28.9 Å²	28.9	54%	0.537	16%	0.162	S	C	.	.	H	α-helix	trans	-64.6	-51.8	172.5	-174.2	171.6	-154	0	0	110.7	S797 S832 Y834 M838 R839 L840	S797-E836 PolarHBondContact OG-N 2.97Å; S832-E836 WeakPolarHBondContact O-CB 3.37Å; S832-E836 PolarHBondContact O-N 3.04Å; Y834-E836 VanDerWaalsContact C-N 3.29Å; Y834-E836 PolarHBondContact O-N 3.24Å; E836-M838 VanDerWaalsContact C-N 3.32Å; E836-M838 PolarHBondContact O-N 3.37Å; E836-R839 WeakPolarHBondContact O-CB 3.36Å; E836-R839 PolarHBondContact O-N 3.23Å; E836-L840 PolarHBondContact O-N 2.83Å
837	T	95.2	Very high	93.8	Very high	44 Å²	44	25.8 Å²	25.8	27%	0.27	14%	0.14	S	C	.	.	H	α-helix	trans	-64.7	-37.6	177.2	-48	0	0	0	0	111.4	E522 P524 S833 Y834 L840	E522-T837 HydrophobicContact CB-CG2 4.24Å; P524-T837 HydrophobicContact CB-CG2 4.2Å; P524-T837 HydrophobicContact CG-CG2 4.15Å; S833-T837 PolarHBondContact O-N 2.98Å; S833-T837 PolarHBondContact O-OG1 3.31Å; Y834-T837 PolarHBondContact O-N 3.11Å; T837-L840 WeakPolarHBondContact O-CB 3.44Å; T837-L840 PolarHBondContact O-N 3.33Å
838	M	96	Very high	92.6	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-61	-45.1	173.2	-179.8	-164.1	73.4	0	0	111.5	P524 V579 D583 M798 Y834 C835 E836 L840 L841 Y842	P524-M838 HydrophobicContact CB-CB 4.44Å; P524-M838 HydrophobicContact CG-CB 4.09Å; V579-M838 HydrophobicContact CG1-CE 4.17Å; V579-M838 HydrophobicContact CG1-SD 3.93Å; V579-M838 HydrophobicContact CG2-CE 4.21Å; D583-M838 HydrophobicContact CB-CG 3.87Å; D583-M838 HydrophobicContact CB-SD 3.8Å; M798-M838 HydrophobicContact SD-CE 4.36Å; Y834-M838 HydrophobicContact CD1-CB 4.41Å; Y834-M838 HydrophobicContact CE1-CB 4.04Å; Y834-M838 HydrophobicContact CE1-CG 4.33Å; Y834-M838 HydrophobicContact CE1-SD 4.01Å; Y834-M838 WeakPolarHBondContact O-CB 3.49Å; Y834-M838 PolarHBondContact O-N 3.1Å; C835-M838 HydrophobicContact CB-CE 4.44Å; E836-M838 VanDerWaalsContact C-N 3.32Å; E836-M838 PolarHBondContact O-N 3.37Å; M838-L840 PolarHBondContact O-N 3.15Å; M838-L841 VanDerWaalsContact O-CB 3.26Å; M838-L841 WeakPolarHBondContact O-CB 3.46Å; M838-L841 PolarHBondContact O-N 3.17Å; M838-Y842 HydrophobicContact CG-CD2 4.43Å; M838-Y842 HydrophobicContact CG-CE2 3.95Å; M838-Y842 VanDerWaalsContact O-CD2 3.28Å; M838-Y842 WeakPolarHBondContact O-CD2 3.47Å
839	R	94.9	Very high	91.4	Very high	37 Å²	37	32.4 Å²	32.4	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-34.1	-179.6	-174.6	172.6	180	166.5	0.6	112.2	L575 S797 M798 C835 E836 L841 Y842 E846	L575-R839 HydrophobicContact CD1-CG 4.36Å; L575-R839 HydrophobicContact CD2-CG 4.27Å; S797-R839 WeakPolarHBondContact O-CD 3.41Å; S797-R839 PolarHBondContact O-NH1 3.06Å; M798-R839 HydrophobicContact SD-CB 4.29Å; M798-R839 HydrophobicContact SD-CG 4.3Å; C835-R839 VanDerWaalsContact O-CB 3.28Å; C835-R839 WeakPolarHBondContact O-CB 3.24Å; C835-R839 PolarHBondContact O-N 3.28Å; E836-R839 WeakPolarHBondContact O-CB 3.36Å; E836-R839 PolarHBondContact O-N 3.23Å; R839-L841 PolarHBondContact O-N 2.88Å; R839-Y842 WeakPolarHBondContact O-CA 3.4Å; R839-Y842 PolarHBondContact O-N 2.98Å; R839-E846 IonicContact CZ-OE1 3.1Å; R839-E846 IonicContact CZ-OE2 2.76Å; R839-E846 IonicContact NE-OE1 3.12Å; R839-E846 IonicContact NE-OE2 3.25Å; R839-E846 PolarHBondContact NE-OE2 3.02Å; R839-E846 IonicContact NH2-OE1 3.98Å; R839-E846 PolarHBondContact NH2-OE1 2.75Å; R839-E846 IonicContact NH2-OE2 2.67Å; R839-E846 PolarHBondContact NH2-OE2 3.49Å
840	L	94.1	Very high	89.9	Confident	79 Å²	79	31.4 Å²	31.4	41%	0.414	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-63.7	-19.8	174.8	-61	177.6	0	0	0	114.5	R520 E836 T837 M838 Y842	R520-L840 HydrophobicContact CB-CB 3.94Å; R520-L840 HydrophobicContact CG-CB 3.78Å; R520-L840 HydrophobicContact CG-CD1 4.47Å; R520-L840 PolarHBondContact N-O 3.2Å; R520-L840 VanDerWaalsContact N-O 3.1Å; E836-L840 PolarHBondContact O-N 2.83Å; T837-L840 WeakPolarHBondContact O-CB 3.44Å; T837-L840 PolarHBondContact O-N 3.33Å; M838-L840 PolarHBondContact O-N 3.15Å; L840-Y842 VanDerWaalsContact C-N 3.3Å
841	L	94	Very high	88.9	Confident	10 Å²	10	28.4 Å²	28.4	5%	0.052	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-74.3	-22.5	170.5	-54.8	-178.8	0	0	0	112.3	P519 R520 P524 M838 R839 T1033	P519-L841 WeakPolarHBondContact CB-O 3.5Å; R520-L841 VanDerWaalsContact O-CD2 3.28Å; R520-L841 WeakPolarHBondContact O-CD2 3.47Å; P524-L841 HydrophobicContact CG-CD1 3.88Å; P524-L841 HydrophobicContact CG-CG 4.42Å; M838-L841 VanDerWaalsContact O-CB 3.26Å; M838-L841 WeakPolarHBondContact O-CB 3.46Å; M838-L841 PolarHBondContact O-N 3.17Å; R839-L841 PolarHBondContact O-N 2.88Å; L841-T1033 HydrophobicContact CB-CG2 3.98Å; L841-T1033 HydrophobicContact CD1-CG2 4.37Å
842	Y	94.4	Very high	88.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-101.9	15.5	-175.9	-63.8	-80.9	0	0	0	113.6	L575 R578 V579 R580 D583 M838 R839 L840 P844 F845 E846 T1033 F1037	L575-Y842 HydrophobicContact CD1-CD2 4.38Å; L575-Y842 HydrophobicContact CD1-CG 4.2Å; R578-Y842 HydrophobicContact CB-CD1 4.12Å; R578-Y842 HydrophobicContact CB-CE1 4.46Å; R578-Y842 WeakPolarHBondContact O-CE1 3.37Å; V579-Y842 HydrophobicContact CB-CE2 4.46Å; V579-Y842 HydrophobicContact CG1-CE2 4.3Å; V579-Y842 HydrophobicContact CG2-CD2 4.1Å; V579-Y842 HydrophobicContact CG2-CE1 4.43Å; V579-Y842 HydrophobicContact CG2-CE2 4Å; V579-Y842 HydrophobicContact CG2-CG 4.39Å; R580-Y842 HydrophobicContact CG-CE1 4.47Å; R580-Y842 PolarHBondContact N-OH 2.74Å; D583-Y842 PolarHBondContact OD2-OH 2.78Å; M838-Y842 HydrophobicContact CG-CD2 4.43Å; M838-Y842 HydrophobicContact CG-CE2 3.95Å; M838-Y842 VanDerWaalsContact O-CD2 3.28Å; M838-Y842 WeakPolarHBondContact O-CD2 3.47Å; R839-Y842 WeakPolarHBondContact O-CA 3.4Å; R839-Y842 PolarHBondContact O-N 2.98Å; L840-Y842 VanDerWaalsContact C-N 3.3Å; Y842-P844 VanDerWaalsContact O-N 3.07Å; Y842-F845 HydrophobicContact CD1-CD2 4.36Å; Y842-F845 PolarHBondContact O-N 2.93Å; Y842-E846 PolarHBondContact O-N 2.78Å; Y842-T1033 HydrophobicContact CD1-CG2 4.45Å; Y842-T1033 HydrophobicContact CE1-CG2 3.68Å; Y842-T1033 HydrophobicContact CE2-CG2 3.99Å; Y842-T1033 VanDerWaalsContact CZ-CG2 3.4Å; Y842-T1033 WeakPolarHBondContact OH-CG2 3.25Å; Y842-T1033 PolarHBondContact OH-OG1 3.01Å; Y842-F1037 AromaticContact CD1-CE2 3.75Å; Y842-F1037 HydrophobicContact CD1-CE2 3.75Å; Y842-F1037 HydrophobicContact CD1-CZ 4.13Å; Y842-F1037 AromaticContact CE1-CE2 3.59Å; Y842-F1037 HydrophobicContact CE1-CE2 3.59Å; Y842-F1037 AromaticContact CE1-CZ 3.9Å; Y842-F1037 HydrophobicContact CE1-CZ 3.9Å
843	G	91	Very high	87.6	Confident	5 Å²	5	40.5 Å²	40.5	5%	0.052	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-39.5	-42.4	171.3	0	0	0	0	0	115.6	T515 I517 F845 E846	T515-G843 PolarHBondContact OG1-O 3.45Å; I517-G843 CarbonylContact O-C 3.6Å; G843-F845 PolarHBondContact O-N 2.88Å; G843-E846 WeakPolarHBondContact O-CB 3.26Å; G843-E846 PolarHBondContact O-N 3.37Å
844	P	89.7	Confident	86.9	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-59.6	-6.7	176.5	-26.8	34.6	0	0	0	116.8	L513 V514 T515 I517 P519 Y842	L513-P844 HydrophobicContact CB-CB 4.08Å; L513-P844 HydrophobicContact CD1-CB 4.19Å; L513-P844 HydrophobicContact CD1-CG 4.3Å; L513-P844 HydrophobicContact CD2-CB 3.81Å; L513-P844 HydrophobicContact CD2-CG 4.29Å; L513-P844 HydrophobicContact CG-CB 4.23Å; V514-P844 WeakPolarHBondContact CA-O 3.25Å; V514-P844 WeakPolarHBondContact CB-O 3.38Å; V514-P844 PolarHBondContact N-O 2.91Å; T515-P844 PolarHBondContact N-O 3.21Å; T515-P844 VanDerWaalsContact OG1-CA 3.25Å; T515-P844 WeakPolarHBondContact OG1-CA 2.87Å; I517-P844 WeakPolarHBondContact O-CD 3.45Å; I517-P844 VanDerWaalsContact O-CG 3.25Å; I517-P844 WeakPolarHBondContact O-CG 3.47Å; I517-P844 VanDerWaalsContact O-N 3.13Å; P519-P844 HydrophobicContact CG-CG 3.74Å; Y842-P844 VanDerWaalsContact O-N 3.07Å
845	F	89.3	Confident	86.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-131.9	5.1	-175.1	-48.7	-71.1	0	0	0	113.1	T511 P512 L513 V514 R578 Y842 G843 C847 F1037	T511-F845 HydrophobicContact CG2-CZ 4.4Å; P512-F845 WeakPolarHBondContact O-CE1 3.32Å; L513-F845 HydrophobicContact CD2-CE1 4.32Å; L513-F845 HydrophobicContact CD2-CE2 4.41Å; L513-F845 HydrophobicContact CD2-CZ 3.71Å; V514-F845 HydrophobicContact CB-CD1 4.43Å; V514-F845 HydrophobicContact CG2-CD1 3.94Å; V514-F845 HydrophobicContact CG2-CE1 4.35Å; R578-F845 HydrophobicContact CB-CD2 3.85Å; R578-F845 HydrophobicContact CB-CE2 4.2Å; R578-F845 HydrophobicContact CB-CG 4.07Å; R578-F845 HydrophobicContact CG-CB 4.18Å; R578-F845 HydrophobicContact CG-CD1 3.71Å; R578-F845 HydrophobicContact CG-CD2 3.83Å; R578-F845 HydrophobicContact CG-CE1 4Å; R578-F845 HydrophobicContact CG-CE2 4.11Å; R578-F845 HydrophobicContact CG-CG 3.61Å; R578-F845 HydrophobicContact CG-CZ 4.19Å; Y842-F845 HydrophobicContact CD1-CD2 4.36Å; Y842-F845 PolarHBondContact O-N 2.93Å; G843-F845 PolarHBondContact O-N 2.88Å; F845-C847 PolarHBondContact O-N 3.06Å; F845-F1037 HydrophobicContact CD2-CZ 4.39Å; F845-F1037 AromaticContact CE2-CD1 3.99Å; F845-F1037 HydrophobicContact CE2-CD1 3.99Å; F845-F1037 HydrophobicContact CE2-CD2 4.25Å; F845-F1037 AromaticContact CE2-CE1 3.55Å; F845-F1037 HydrophobicContact CE2-CE1 3.55Å; F845-F1037 AromaticContact CE2-CE2 3.82Å; F845-F1037 HydrophobicContact CE2-CE2 3.82Å; F845-F1037 HydrophobicContact CE2-CG 4.34Å; F845-F1037 AromaticContact CE2-CZ 3.47Å; F845-F1037 HydrophobicContact CE2-CZ 3.47Å; F845-F1037 VanDerWaalsContact CE2-CZ 3.47Å; F845-F1037 HydrophobicContact CZ-CD1 4.02Å; F845-F1037 AromaticContact CZ-CE1 3.69Å; F845-F1037 HydrophobicContact CZ-CE1 3.69Å; F845-F1037 HydrophobicContact CZ-CZ 4.09Å
846	E	87.7	Confident	86.1	Confident	16 Å²	16	44.1 Å²	44.1	8%	0.075	24%	0.241	C	C	.	.			trans	-72.8	115.6	-170.1	173.3	52.3	-122.6	0	0	112.8	L575 R839 Y842 G843 T848 Q849	L575-E846 HydrophobicContact CD2-CB 4.44Å; L575-E846 WeakPolarHBondContact CD2-OE2 3.3Å; R839-E846 IonicContact CZ-OE1 3.1Å; R839-E846 IonicContact CZ-OE2 2.76Å; R839-E846 IonicContact NE-OE1 3.12Å; R839-E846 IonicContact NE-OE2 3.25Å; R839-E846 PolarHBondContact NE-OE2 3.02Å; R839-E846 IonicContact NH2-OE1 3.98Å; R839-E846 PolarHBondContact NH2-OE1 2.75Å; R839-E846 IonicContact NH2-OE2 2.67Å; R839-E846 PolarHBondContact NH2-OE2 3.49Å; Y842-E846 PolarHBondContact O-N 2.78Å; G843-E846 WeakPolarHBondContact O-CB 3.26Å; G843-E846 PolarHBondContact O-N 3.37Å; E846-T848 VanDerWaalsContact CD-OG1 3.23Å; E846-T848 WeakPolarHBondContact CG-OG1 3.39Å; E846-T848 PolarHBondContact O-N 3.31Å; E846-T848 WeakPolarHBondContact OE1-CB 3.44Å; E846-T848 VanDerWaalsContact OE1-CG2 3.3Å; E846-T848 WeakPolarHBondContact OE1-CG2 3.4Å; E846-T848 PolarHBondContact OE1-N 2.6Å; E846-T848 PolarHBondContact OE1-OG1 2.97Å; E846-Q849 PolarHBondContact O-N 3.3Å
847	C	80.1	Confident	85.9	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.007	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-63.1	-23.3	-176.8	71.1	0	0	0	0	114.3	L574 F845 Q849 T850 M851 T869	L574-C847 WeakPolarHBondContact O-CB 3.36Å; L574-C847 PolarHBondContact O-N 3.35Å; L574-C847 VanDerWaalsContact O-N 3.09Å; F845-C847 PolarHBondContact O-N 3.06Å; C847-Q849 PolarHBondContact O-N 3.23Å; C847-Q849 VanDerWaalsContact O-N 3.13Å; C847-T850 PolarHBondContact O-N 3.22Å; C847-T850 PolarHBondContact O-OG1 3.36Å; C847-M851 PolarHBondContact O-N 2.94Å; C847-T869 HydrophobicContact CB-CG2 3.98Å
848	T	70.8	Confident	85.8	Confident	52 Å²	52	38 Å²	38	32%	0.319	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-66.8	-13.2	-178.4	51.2	0	0	0	0	114.6	M801 E846 T850 M851	M801-T848 HydrophobicContact CE-CG2 3.62Å; M801-T848 HydrophobicContact SD-CG2 3.64Å; E846-T848 VanDerWaalsContact CD-OG1 3.23Å; E846-T848 WeakPolarHBondContact CG-OG1 3.39Å; E846-T848 PolarHBondContact O-N 3.31Å; E846-T848 WeakPolarHBondContact OE1-CB 3.44Å; E846-T848 VanDerWaalsContact OE1-CG2 3.3Å; E846-T848 WeakPolarHBondContact OE1-CG2 3.4Å; E846-T848 PolarHBondContact OE1-N 2.6Å; E846-T848 PolarHBondContact OE1-OG1 2.97Å; T848-T850 VanDerWaalsContact C-N 3.27Å; T848-T850 PolarHBondContact O-N 3.41Å; T848-M851 WeakPolarHBondContact CA-O 3.48Å
849	Q	70.6	Confident	85.6	Confident	107 Å²	107	40.7 Å²	40.7	50%	0.5	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-65.5	-32.6	169.4	-156.9	-164	25	0	0	112	T515 I517 E846 C847	T515-Q849 VanDerWaalsContact CB-OE1 3.22Å; T515-Q849 HydrophobicContact CG2-CB 4.37Å; I517-Q849 HydrophobicContact CD1-CB 4.22Å; I517-Q849 HydrophobicContact CD1-CG 4.26Å; E846-Q849 PolarHBondContact O-N 3.3Å; C847-Q849 PolarHBondContact O-N 3.23Å; C847-Q849 VanDerWaalsContact O-N 3.13Å
850	T	65.6	Low	85.5	Confident	33 Å²	33	44.3 Å²	44.3	20%	0.202	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-16.6	-175.7	62	0	0	0	0	113.6	C847 T848 Q872 F873 F876	C847-T850 PolarHBondContact O-N 3.22Å; C847-T850 PolarHBondContact O-OG1 3.36Å; T848-T850 VanDerWaalsContact C-N 3.27Å; T848-T850 PolarHBondContact O-N 3.41Å; T850-Q872 PolarHBondContact O-NE2 3.06Å; T850-Q872 PolarHBondContact OG1-OE1 2.97Å; T850-F873 HydrophobicContact CG2-CE1 4.31Å; T850-F876 HydrophobicContact CG2-CD2 4.22Å; T850-F876 HydrophobicContact CG2-CE2 3.71Å; T850-F876 HydrophobicContact CG2-CZ 4.42Å
851	M	75.2	Confident	85.4	Confident	16 Å²	16	40.9 Å²	40.9	8%	0.079	22%	0.223	C	C	.	.			trans	-145	103.3	177.2	-169.3	-166.5	70	0	0	111.5	M801 T802 C847 T848 S853 Y868	M801-M851 HydrophobicContact CB-CE 3.76Å; M801-M851 HydrophobicContact CG-CE 4.37Å; M801-M851 HydrophobicContact SD-CE 4.43Å; T802-M851 HydrophobicContact CG2-CE 3.96Å; T802-M851 HydrophobicContact CG2-SD 4.41Å; C847-M851 PolarHBondContact O-N 2.94Å; T848-M851 WeakPolarHBondContact CA-O 3.48Å; M851-S853 VanDerWaalsContact C-N 3.34Å; M851-S853 WeakPolarHBondContact CE-O 3.24Å; M851-S853 VanDerWaalsContact CG-O 3.29Å; M851-S853 WeakPolarHBondContact CG-O 3.47Å; M851-S853 PolarHBondContact O-N 2.99Å; M851-Y868 HydrophobicContact CG-CE1 4.15Å; M851-Y868 HydrophobicContact SD-CD1 3.92Å; M851-Y868 HydrophobicContact SD-CE1 3.44Å; M851-Y868 WeakPolarHBondContact SD-CE1 3.38Å
852	K	80.3	Confident	85.4	Confident	194 Å²	194	40.7 Å²	40.7	84%	0.843	22%	0.222	S	C	*	.	S	Bend	trans	-74.7	-14.6	-171.3	-66.3	-175.5	176.8	-177.2	0	115.9
853	S	85.7	Confident	85.3	Confident	73 Å²	73	40.7 Å²	40.7	51%	0.51	22%	0.222	S	C	.	.	S	Bend	trans	-159	172.2	-176.2	63.8	0	0	0	0	110	M851	M851-S853 VanDerWaalsContact C-N 3.34Å; M851-S853 WeakPolarHBondContact CE-O 3.24Å; M851-S853 VanDerWaalsContact CG-O 3.29Å; M851-S853 WeakPolarHBondContact CG-O 3.47Å; M851-S853 PolarHBondContact O-N 2.99Å
854	G	81.5	Confident	85.2	Confident	24 Å²	24	40.9 Å²	40.9	25%	0.247	22%	0.223	C	C	.	.			trans	-59.4	164	160.4	0	0	0	0	0	112.1	T772	T772-G854 CarbonylContact O-C 3.59Å; T772-G854 WeakPolarHBondContact O-CA 3.34Å
855	N	87.1	Confident	84.7	Confident	61 Å²	61	40.9 Å²	40.9	33%	0.326	22%	0.223	S	C	.	.			trans	-143.8	135.1	-179.4	-167.9	2.3	0	0	0	110.8	T772 D857	T772-N855 PolarHBondContact O-N 3.13Å; N855-D857 WeakPolarHBondContact CB-OD1 3.26Å; N855-D857 VanDerWaalsContact CG-CG 3.41Å; N855-D857 PolarHBondContact ND2-OD1 2.87Å; N855-D857 PolarHBondContact ND2-OD2 3.34Å; N855-D857 PolarHBondContact OD1-OD1 3.09Å
856	A	90.5	Very high	84.1	Confident	58 Å²	58	41.4 Å²	41.4	48%	0.479	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.7	-173.1	0	0	0	0	0	114	V858 Y859	A856-V858 PolarHBondContact O-N 2.67Å; A856-Y859 VanDerWaalsContact O-CD2 3.29Å; A856-Y859 WeakPolarHBondContact O-CD2 3.41Å; A856-Y859 PolarHBondContact O-N 2.93Å
857	D	90.4	Very high	83.9	Confident	30 Å²	30	41.1 Å²	41.1	16%	0.16	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.7	171.7	62.3	-5.1	0	0	0	113.5	N855 Y859 I860 H861 K888	N855-D857 WeakPolarHBondContact CB-OD1 3.26Å; N855-D857 VanDerWaalsContact CG-CG 3.41Å; N855-D857 PolarHBondContact ND2-OD1 2.87Å; N855-D857 PolarHBondContact ND2-OD2 3.34Å; N855-D857 PolarHBondContact OD1-OD1 3.09Å; D857-Y859 PolarHBondContact O-N 2.77Å; D857-I860 WeakPolarHBondContact O-CA 3.4Å; D857-I860 WeakPolarHBondContact O-CB 3.35Å; D857-I860 PolarHBondContact O-N 2.71Å; D857-H861 PolarHBondContact O-CD2 3.46Å; D857-H861 PolarHBondContact O-N 2.99Å; D857-H861 IonicContact OD1-CD2 3.24Å; D857-H861 IonicContact OD1-NE2 3.33Å; D857-H861 PolarHBondContact OD1-NE2 3.35Å; D857-H861 IonicContact OD2-NE2 2.8Å; D857-K888 IonicContact OD2-NZ 3.73Å; D857-K888 PolarHBondContact OD2-NZ 2.77Å
858	V	92.6	Very high	84.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-29.8	168.2	73.1	0	0	0	0	113	A741 L743 T772 A773 A856 I860 E862	A741-V858 HydrophobicContact CB-CG2 4.26Å; A741-V858 VanDerWaalsContact O-CG2 3.26Å; A741-V858 WeakPolarHBondContact O-CG2 3.32Å; L743-V858 HydrophobicContact CD2-CG2 4.43Å; L743-V858 WeakPolarHBondContact CD2-O 3.36Å; T772-V858 HydrophobicContact CG2-CB 3.96Å; T772-V858 HydrophobicContact CG2-CG1 4.14Å; T772-V858 HydrophobicContact CG2-CG2 3.96Å; A773-V858 HydrophobicContact CB-CG1 3.95Å; A856-V858 PolarHBondContact O-N 2.67Å; V858-I860 PolarHBondContact O-N 3.15Å; V858-E862 VanDerWaalsContact O-CA 3.28Å; V858-E862 WeakPolarHBondContact O-CA 3.49Å; V858-E862 PolarHBondContact O-N 2.99Å
859	Y	92.8	Very high	84.4	Confident	59 Å²	59	39.3 Å²	39.3	23%	0.231	21%	0.214	C	C	.	.	H	α-helix	trans	-69.5	-9.5	171.9	-61.4	-58.6	0	0	0	114.2	G742 L743 K745 A773 A856 D857	G742-Y859 VanDerWaalsContact O-CE1 3.25Å; G742-Y859 WeakPolarHBondContact O-CE1 3.37Å; G742-Y859 PolarHBondContact O-OH 3.24Å; L743-Y859 HydrophobicContact CD2-CD1 4.06Å; K745-Y859 HydrophobicContact CD-CE1 4.47Å; K745-Y859 HydrophobicContact CG-CD1 4.48Å; K745-Y859 HydrophobicContact CG-CE1 3.8Å; A773-Y859 HydrophobicContact CB-CD2 4.48Å; A773-Y859 HydrophobicContact CB-CE2 3.58Å; A773-Y859 WeakPolarHBondContact CB-OH 3.45Å; A856-Y859 VanDerWaalsContact O-CD2 3.29Å; A856-Y859 WeakPolarHBondContact O-CD2 3.41Å; A856-Y859 PolarHBondContact O-N 2.93Å; D857-Y859 PolarHBondContact O-N 2.77Å
860	I	91.8	Very high	84.7	Confident	113 Å²	113	37.6 Å²	37.6	58%	0.579	21%	0.209	S	C	*	.	H	α-helix	trans	-104.5	-45.7	178.3	-54.5	172.7	0	0	0	110.6	D857 V858	D857-I860 WeakPolarHBondContact O-CA 3.4Å; D857-I860 WeakPolarHBondContact O-CB 3.35Å; D857-I860 PolarHBondContact O-N 2.71Å; V858-I860 PolarHBondContact O-N 3.15Å
861	H	91.7	Very high	85.5	Confident	6 Å²	6	36 Å²	36	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-99.8	-17.2	-174.2	65.7	57.9	0	0	0	114.6	D857 I863 Y868 Y891 A892	D857-H861 PolarHBondContact O-CD2 3.46Å; D857-H861 PolarHBondContact O-N 2.99Å; D857-H861 IonicContact OD1-CD2 3.24Å; D857-H861 IonicContact OD1-NE2 3.33Å; D857-H861 PolarHBondContact OD1-NE2 3.35Å; D857-H861 IonicContact OD2-NE2 2.8Å; H861-I863 VanDerWaalsContact C-N 3.33Å; H861-I863 HydrophobicContact CB-CD1 4.28Å; H861-I863 HydrophobicContact CB-CG1 4.33Å; H861-I863 WeakPolarHBondContact ND1-CB 3.27Å; H861-I863 WeakPolarHBondContact ND1-CD1 3.29Å; H861-I863 WeakPolarHBondContact ND1-CG1 3.24Å; H861-I863 PolarHBondContact ND1-N 2.66Å; H861-I863 PolarHBondContact O-N 2.91Å; H861-Y868 AromaticContact CE1-CD2 3.93Å; H861-Y868 AromaticContact CE1-CE2 3.96Å; H861-Y868 AromaticContact NE2-CE2 3.79Å; H861-Y891 WeakPolarHBondContact O-CD1 3.14Å; H861-Y891 WeakPolarHBondContact O-CE1 3.35Å; H861-A892 HydrophobicContact CB-CB 4.44Å
862	E	94.1	Very high	85.7	Confident	7 Å²	7	36.1 Å²	36.1	3%	0.033	20%	0.2	C	C	.	.			trans	52.8	46.9	172	-57.6	176.1	-177.3	0	0	112.9	T704 R712 L743 V858 K903	T704-E862 PolarHBondContact OG1-OE2 2.84Å; R712-E862 IonicContact CZ-OE1 2.7Å; R712-E862 IonicContact NH1-OE1 3.92Å; R712-E862 PolarHBondContact NH1-OE1 2.83Å; R712-E862 IonicContact NH2-OE1 2.84Å; R712-E862 PolarHBondContact NH2-OE1 2.88Å; L743-E862 HydrophobicContact CD1-CB 4.04Å; L743-E862 HydrophobicContact CD1-CG 3.81Å; L743-E862 HydrophobicContact CD2-CB 4.45Å; L743-E862 HydrophobicContact CD2-CG 3.94Å; V858-E862 VanDerWaalsContact O-CA 3.28Å; V858-E862 WeakPolarHBondContact O-CA 3.49Å; V858-E862 PolarHBondContact O-N 2.99Å; E862-K903 VanDerWaalsContact O-CE 3.27Å; E862-K903 WeakPolarHBondContact O-CE 3.36Å; E862-K903 WeakPolarHBondContact OE2-CE 3.34Å; E862-K903 IonicContact OE2-NZ 3.7Å; E862-K903 PolarHBondContact OE2-NZ 3.34Å
863	I	92	Very high	85.4	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.			trans	-94.3	123.3	178	-62	165.7	0	0	0	107.9	H861 Q867 Y868 L871 K888 Y891	H861-I863 VanDerWaalsContact C-N 3.33Å; H861-I863 HydrophobicContact CB-CD1 4.28Å; H861-I863 HydrophobicContact CB-CG1 4.33Å; H861-I863 WeakPolarHBondContact ND1-CB 3.27Å; H861-I863 WeakPolarHBondContact ND1-CD1 3.29Å; H861-I863 WeakPolarHBondContact ND1-CG1 3.24Å; H861-I863 PolarHBondContact ND1-N 2.66Å; H861-I863 PolarHBondContact O-N 2.91Å; I863-Q867 HydrophobicContact CG2-CB 4.01Å; I863-Q867 HydrophobicContact CG2-CG 3.97Å; I863-Y868 HydrophobicContact CB-CD2 4.37Å; I863-Y868 HydrophobicContact CD1-CD2 4.36Å; I863-Y868 HydrophobicContact CG2-CD2 4.33Å; I863-L871 HydrophobicContact CD1-CD2 4.13Å; I863-K888 HydrophobicContact CD1-CG 4.15Å; I863-Y891 HydrophobicContact CB-CE1 4.2Å; I863-Y891 HydrophobicContact CD1-CD1 4.07Å; I863-Y891 HydrophobicContact CD1-CD2 4.25Å; I863-Y891 HydrophobicContact CD1-CE1 4.44Å; I863-Y891 HydrophobicContact CD1-CG 3.96Å; I863-Y891 HydrophobicContact CG1-CD1 3.36Å; I863-Y891 HydrophobicContact CG1-CD2 4.01Å; I863-Y891 HydrophobicContact CG1-CE1 3.32Å; I863-Y891 HydrophobicContact CG1-CE2 4Å; I863-Y891 HydrophobicContact CG1-CG 3.71Å
864	P	89.9	Confident	85	Confident	9 Å²	9	27.5 Å²	27.5	6%	0.058	15%	0.154	C	C	.	.			trans	-58.9	149.1	174.9	-28.9	37.3	0	0	0	114	M740 G866 Q867 Y868 K903	M740-P864 HydrophobicContact CB-CB 4.34Å; M740-P864 HydrophobicContact CB-CG 4.47Å; M740-P864 HydrophobicContact CG-CB 4.26Å; M740-P864 HydrophobicContact CG-CG 3.87Å; M740-P864 WeakPolarHBondContact O-CA 3.41Å; M740-P864 VanDerWaalsContact O-CB 3.27Å; M740-P864 WeakPolarHBondContact O-CB 3.4Å; P864-G866 PolarHBondContact O-N 3.38Å; P864-Q867 HydrophobicContact CB-CB 4.18Å; P864-Q867 HydrophobicContact CG-CB 4.47Å; P864-Q867 CarbonylContact O-C 3.34Å; P864-Q867 WeakPolarHBondContact O-CA 3.39Å; P864-Q867 PolarHBondContact O-N 2.69Å; P864-Y868 PolarHBondContact O-N 3.39Å; P864-K903 WeakPolarHBondContact CG-O 3.4Å
865	G	79.3	Confident	84.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-50.9	-55.4	-174.8	0	0	0	0	0	113.9	M740 T802 Q867 Y868 T869	M740-G865 PolarHBondContact O-N 2.64Å; T802-G865 WeakPolarHBondContact CG2-O 3.45Å; G865-Q867 VanDerWaalsContact C-N 3.3Å; G865-Q867 PolarHBondContact O-N 2.73Å; G865-Y868 WeakPolarHBondContact O-CB 3.19Å; G865-Y868 PolarHBondContact O-N 3.49Å; G865-T869 PolarHBondContact O-N 2.91Å; G865-T869 PolarHBondContact O-OG1 2.72Å
866	G	76.1	Confident	84.2	Confident	11 Å²	11	28.8 Å²	28.8	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-65.9	-24.9	175.9	0	0	0	0	0	114.9	P864 N870	P864-G866 PolarHBondContact O-N 3.38Å; G866-N870 WeakPolarHBondContact O-CB 3.28Å; G866-N870 VanDerWaalsContact O-CG 3.27Å; G866-N870 PolarHBondContact O-N 3.15Å; G866-N870 PolarHBondContact O-ND2 3.36Å
867	Q	84.1	Confident	83.3	Confident	10 Å²	10	31.2 Å²	31.2	5%	0.047	16%	0.163	C	C	.	.	H	α-helix	trans	-77.7	-33.7	173.6	-179.3	59.4	22.9	0	0	111.5	I863 P864 G865 N870 L871	I863-Q867 HydrophobicContact CG2-CB 4.01Å; I863-Q867 HydrophobicContact CG2-CG 3.97Å; P864-Q867 HydrophobicContact CB-CB 4.18Å; P864-Q867 HydrophobicContact CG-CB 4.47Å; P864-Q867 CarbonylContact O-C 3.34Å; P864-Q867 WeakPolarHBondContact O-CA 3.39Å; P864-Q867 PolarHBondContact O-N 2.69Å; G865-Q867 VanDerWaalsContact C-N 3.3Å; G865-Q867 PolarHBondContact O-N 2.73Å; Q867-N870 PolarHBondContact O-N 2.82Å; Q867-L871 WeakPolarHBondContact O-CB 3.16Å; Q867-L871 PolarHBondContact O-N 2.91Å
868	Y	83.3	Confident	82.6	Confident	10 Å²	10	35 Å²	35	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-59.7	-52.3	177.9	-170.7	-81	0	0	0	110.5	M851 H861 I863 P864 G865 N870 L871 Q872 F884 K888	M851-Y868 HydrophobicContact CG-CE1 4.15Å; M851-Y868 HydrophobicContact SD-CD1 3.92Å; M851-Y868 HydrophobicContact SD-CE1 3.44Å; M851-Y868 WeakPolarHBondContact SD-CE1 3.38Å; H861-Y868 AromaticContact CE1-CD2 3.93Å; H861-Y868 AromaticContact CE1-CE2 3.96Å; H861-Y868 AromaticContact NE2-CE2 3.79Å; I863-Y868 HydrophobicContact CB-CD2 4.37Å; I863-Y868 HydrophobicContact CD1-CD2 4.36Å; I863-Y868 HydrophobicContact CG2-CD2 4.33Å; P864-Y868 PolarHBondContact O-N 3.39Å; G865-Y868 WeakPolarHBondContact O-CB 3.19Å; G865-Y868 PolarHBondContact O-N 3.49Å; Y868-N870 PolarHBondContact O-N 2.61Å; Y868-L871 PolarHBondContact O-N 2.66Å; Y868-Q872 WeakPolarHBondContact O-CB 3.23Å; Y868-Q872 PolarHBondContact O-N 2.89Å; Y868-F884 HydrophobicContact CE1-CE1 4.01Å; Y868-F884 HydrophobicContact CE1-CZ 4.39Å; Y868-F884 HydrophobicContact CE2-CE1 4.13Å; Y868-F884 HydrophobicContact CE2-CZ 4.48Å; Y868-F884 AromaticContact CZ-CE1 3.72Å; Y868-K888 HydrophobicContact CE2-CD 3.83Å
869	T	76.9	Confident	81.9	Confident	4 Å²	4	38.1 Å²	38.1	3%	0.025	22%	0.215	C	C	.	.	H	α-helix	trans	-57	-47.7	176.3	-48.9	0	0	0	0	111.6	S573 C847 G865 Q872 F873	S573-T869 PolarHBondContact O-OG1 3.18Å; C847-T869 HydrophobicContact CB-CG2 3.98Å; G865-T869 PolarHBondContact O-N 2.91Å; G865-T869 PolarHBondContact O-OG1 2.72Å; T869-Q872 PolarHBondContact O-N 2.77Å; T869-F873 HydrophobicContact CG2-CD2 4.12Å; T869-F873 HydrophobicContact CG2-CE2 3.49Å; T869-F873 VanDerWaalsContact CG2-CE2 3.49Å; T869-F873 HydrophobicContact CG2-CZ 3.77Å; T869-F873 WeakPolarHBondContact O-CD2 3.48Å; T869-F873 WeakPolarHBondContact O-CG 3.44Å; T869-F873 PolarHBondContact O-N 3.12Å
870	N	78.3	Confident	81.2	Confident	71 Å²	71	36.5 Å²	36.5	38%	0.38	21%	0.21	S	C	.	.	H	α-helix	trans	-65.4	-43.1	179.2	-75.4	-30.3	0	0	0	113.3	G866 Q867 Y868 Q872 F873 Q874	G866-N870 WeakPolarHBondContact O-CB 3.28Å; G866-N870 VanDerWaalsContact O-CG 3.27Å; G866-N870 PolarHBondContact O-N 3.15Å; G866-N870 PolarHBondContact O-ND2 3.36Å; Q867-N870 PolarHBondContact O-N 2.82Å; Y868-N870 PolarHBondContact O-N 2.61Å; N870-Q872 VanDerWaalsContact C-N 3.29Å; N870-Q872 PolarHBondContact O-N 3.37Å; N870-F873 PolarHBondContact O-N 3.46Å; N870-Q874 WeakPolarHBondContact O-CB 3.35Å; N870-Q874 VanDerWaalsContact O-CG 3.3Å; N870-Q874 WeakPolarHBondContact O-CG 3.44Å; N870-Q874 PolarHBondContact O-N 3.15Å
871	L	82.5	Confident	80.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-36.7	178.6	-165.2	80.4	0	0	0	110.9	I863 Q867 Y868 A875 F884 I887 Y891 G912 Q916	I863-L871 HydrophobicContact CD1-CD2 4.13Å; Q867-L871 WeakPolarHBondContact O-CB 3.16Å; Q867-L871 PolarHBondContact O-N 2.91Å; Y868-L871 PolarHBondContact O-N 2.66Å; L871-A875 WeakPolarHBondContact O-CB 3.34Å; L871-A875 PolarHBondContact O-N 3.13Å; L871-F884 HydrophobicContact CB-CE2 4.38Å; L871-F884 HydrophobicContact CD2-CE2 4.17Å; L871-F884 HydrophobicContact CG-CE2 4.25Å; L871-I887 HydrophobicContact CD2-CG2 3.78Å; L871-I887 HydrophobicContact CG-CG2 4.23Å; L871-Y891 HydrophobicContact CD2-CD2 4.18Å; L871-G912 VanDerWaalsContact CD1-CA 3.43Å; L871-Q916 HydrophobicContact CD1-CG 4.38Å
872	Q	79.5	Confident	79.9	Confident	19 Å²	19	41.8 Å²	41.8	9%	0.089	23%	0.234	C	C	.	.	H	α-helix	trans	-67.7	-46	176.5	-158.1	179.6	28.9	0	0	111.3	T850 Y868 T869 N870 A875 F876 F884	T850-Q872 PolarHBondContact O-NE2 3.06Å; T850-Q872 PolarHBondContact OG1-OE1 2.97Å; Y868-Q872 WeakPolarHBondContact O-CB 3.23Å; Y868-Q872 PolarHBondContact O-N 2.89Å; T869-Q872 PolarHBondContact O-N 2.77Å; N870-Q872 VanDerWaalsContact C-N 3.29Å; N870-Q872 PolarHBondContact O-N 3.37Å; Q872-A875 PolarHBondContact O-N 3.45Å; Q872-F876 HydrophobicContact CG-CD2 4.26Å; Q872-F876 HydrophobicContact CG-CE2 4.08Å; Q872-F876 VanDerWaalsContact O-CD2 3.29Å; Q872-F876 WeakPolarHBondContact O-CD2 3.48Å; Q872-F876 PolarHBondContact O-N 3.49Å; Q872-F884 VanDerWaalsContact CA-CE2 3.45Å; Q872-F884 HydrophobicContact CB-CD2 4.41Å; Q872-F884 HydrophobicContact CB-CE1 4.24Å; Q872-F884 HydrophobicContact CB-CE2 3.78Å; Q872-F884 HydrophobicContact CB-CZ 3.68Å; Q872-F884 HydrophobicContact CG-CD1 4.18Å; Q872-F884 HydrophobicContact CG-CD2 4.18Å; Q872-F884 HydrophobicContact CG-CE1 3.97Å; Q872-F884 HydrophobicContact CG-CE2 3.99Å; Q872-F884 HydrophobicContact CG-CG 4.27Å; Q872-F884 HydrophobicContact CG-CZ 3.87Å
873	F	73.9	Confident	79.5	Confident	23 Å²	23	44.9 Å²	44.9	10%	0.101	25%	0.247	C	C	.	.	H	α-helix	trans	-61.7	-43.4	174.8	-65.2	-29.8	0	0	0	112.4	V514 A576 T850 T869 N870 A875 F876 S877	V514-F873 HydrophobicContact CG1-CB 4.39Å; V514-F873 HydrophobicContact CG1-CD1 3.53Å; V514-F873 HydrophobicContact CG1-CD2 3.88Å; V514-F873 HydrophobicContact CG1-CE1 3.6Å; V514-F873 HydrophobicContact CG1-CE2 3.92Å; V514-F873 HydrophobicContact CG1-CG 3.68Å; V514-F873 HydrophobicContact CG1-CZ 3.79Å; A576-F873 HydrophobicContact CB-CE2 4.42Å; T850-F873 HydrophobicContact CG2-CE1 4.31Å; T869-F873 HydrophobicContact CG2-CD2 4.12Å; T869-F873 HydrophobicContact CG2-CE2 3.49Å; T869-F873 VanDerWaalsContact CG2-CE2 3.49Å; T869-F873 HydrophobicContact CG2-CZ 3.77Å; T869-F873 WeakPolarHBondContact O-CD2 3.48Å; T869-F873 WeakPolarHBondContact O-CG 3.44Å; T869-F873 PolarHBondContact O-N 3.12Å; N870-F873 PolarHBondContact O-N 3.46Å; F873-A875 PolarHBondContact O-N 3.05Å; F873-F876 PolarHBondContact O-N 3.25Å; F873-S877 PolarHBondContact O-N 3.05Å; F873-S877 PolarHBondContact O-OG 3.42Å
874	Q	76.9	Confident	79.2	Confident	63 Å²	63	45.4 Å²	45.4	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-58.7	-45.8	173.4	-74	171.3	-10.8	0	0	112.1	N870 F876 S877 L878	N870-Q874 WeakPolarHBondContact O-CB 3.35Å; N870-Q874 VanDerWaalsContact O-CG 3.3Å; N870-Q874 WeakPolarHBondContact O-CG 3.44Å; N870-Q874 PolarHBondContact O-N 3.15Å; Q874-F876 VanDerWaalsContact C-N 3.3Å; Q874-F876 PolarHBondContact O-N 3.32Å; Q874-S877 PolarHBondContact O-N 2.87Å; Q874-L878 WeakPolarHBondContact O-CB 3.11Å; Q874-L878 WeakPolarHBondContact O-CG 3.41Å; Q874-L878 PolarHBondContact O-N 2.66Å
875	A	78.3	Confident	79.1	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-38.1	176.7	0	0	0	0	0	112	L871 Q872 F873 G879 L880 G881 F884 I887	L871-A875 WeakPolarHBondContact O-CB 3.34Å; L871-A875 PolarHBondContact O-N 3.13Å; Q872-A875 PolarHBondContact O-N 3.45Å; F873-A875 PolarHBondContact O-N 3.05Å; A875-G879 PolarHBondContact O-N 3.26Å; A875-L880 HydrophobicContact CB-CB 4.34Å; A875-L880 CarbonylContact O-C 3.35Å; A875-L880 WeakPolarHBondContact O-CA 3.5Å; A875-L880 PolarHBondContact O-N 3.35Å; A875-G881 PolarHBondContact O-N 2.96Å; A875-F884 HydrophobicContact CB-CD2 3.99Å; A875-I887 HydrophobicContact CB-CD1 3.71Å
876	F	74.3	Confident	79.7	Confident	112 Å²	112	55.3 Å²	55.3	49%	0.491	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-48	172	-86.3	-70.3	0	0	0	112.4	T850 Q872 F873 Q874 L878 G879	T850-F876 HydrophobicContact CG2-CD2 4.22Å; T850-F876 HydrophobicContact CG2-CE2 3.71Å; T850-F876 HydrophobicContact CG2-CZ 4.42Å; Q872-F876 HydrophobicContact CG-CD2 4.26Å; Q872-F876 HydrophobicContact CG-CE2 4.08Å; Q872-F876 VanDerWaalsContact O-CD2 3.29Å; Q872-F876 WeakPolarHBondContact O-CD2 3.48Å; Q872-F876 PolarHBondContact O-N 3.49Å; F873-F876 PolarHBondContact O-N 3.25Å; Q874-F876 VanDerWaalsContact C-N 3.3Å; Q874-F876 PolarHBondContact O-N 3.32Å; F876-L878 VanDerWaalsContact C-N 3.25Å; F876-L878 PolarHBondContact O-N 2.92Å; F876-G879 PolarHBondContact O-N 3.02Å
877	S	70.2	Confident	80.4	Confident	109 Å²	109	54.8 Å²	54.8	76%	0.762	29%	0.289	S	S	*	.	H	α-helix	trans	-61.2	-30.9	178.4	-58.8	0	0	0	0	113.7	F873 Q874 G879	F873-S877 PolarHBondContact O-N 3.05Å; F873-S877 PolarHBondContact O-OG 3.42Å; Q874-S877 PolarHBondContact O-N 2.87Å; S877-G879 VanDerWaalsContact C-N 3.34Å
878	L	75.6	Confident	80.8	Confident	109 Å²	109	54.6 Å²	54.6	57%	0.571	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	5.5	176.6	-64.9	174.3	0	0	0	113.8	Q874 F876 L880 Q916	Q874-L878 WeakPolarHBondContact O-CB 3.11Å; Q874-L878 WeakPolarHBondContact O-CG 3.41Å; Q874-L878 PolarHBondContact O-N 2.66Å; F876-L878 VanDerWaalsContact C-N 3.25Å; F876-L878 PolarHBondContact O-N 2.92Å; L878-L880 HydrophobicContact CB-CD1 4.16Å; L878-L880 HydrophobicContact CB-CG 4.23Å; L878-L880 PolarHBondContact O-N 3.44Å; L878-Q916 VanDerWaalsContact CD1-OE1 3.28Å
879	G	77.5	Confident	81.2	Confident	66 Å²	66	61.1 Å²	61.1	68%	0.68	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	1.9	-176.8	0	0	0	0	0	114.9	A875 F876 S877 G881	A875-G879 PolarHBondContact O-N 3.26Å; F876-G879 PolarHBondContact O-N 3.02Å; S877-G879 VanDerWaalsContact C-N 3.34Å; G879-G881 VanDerWaalsContact C-N 3.34Å
880	L	78.4	Confident	82	Confident	24 Å²	24	61.4 Å²	61.4	13%	0.126	32%	0.32	C	S	.	.			trans	-84.7	1.2	180	-62	173.2	0	0	0	113.8	A875 L878 K882 K883 I887 T920	A875-L880 HydrophobicContact CB-CB 4.34Å; A875-L880 CarbonylContact O-C 3.35Å; A875-L880 WeakPolarHBondContact O-CA 3.5Å; A875-L880 PolarHBondContact O-N 3.35Å; L878-L880 HydrophobicContact CB-CD1 4.16Å; L878-L880 HydrophobicContact CB-CG 4.23Å; L878-L880 PolarHBondContact O-N 3.44Å; L880-K882 PolarHBondContact O-N 3.35Å; L880-K882 VanDerWaalsContact O-N 3.08Å; L880-K883 HydrophobicContact CD2-CD 4.15Å; L880-K883 CarbonylContact O-C 3.56Å; L880-K883 WeakPolarHBondContact O-CA 3.31Å; L880-K883 WeakPolarHBondContact O-CB 3.3Å; L880-K883 PolarHBondContact O-N 3.41Å; L880-I887 HydrophobicContact CB-CD1 4.06Å; L880-I887 HydrophobicContact CD1-CD1 4.49Å; L880-T920 WeakPolarHBondContact CD1-OG1 3.45Å
881	G	75.4	Confident	82.8	Confident	16 Å²	16	58 Å²	58	17%	0.165	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-54.3	-32	-176.6	0	0	0	0	0	114.5	A875 G879 K883 F884	A875-G881 PolarHBondContact O-N 2.96Å; G879-G881 VanDerWaalsContact C-N 3.34Å; G881-K883 PolarHBondContact O-N 3.25Å; G881-F884 PolarHBondContact O-N 3.21Å
882	K	82	Confident	83.4	Confident	214 Å²	214	58.3 Å²	58.3	93%	0.93	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-69.4	-15	173.4	-69.7	-174.9	177.4	179.8	0	114.4	L880	L880-K882 PolarHBondContact O-N 3.35Å; L880-K882 VanDerWaalsContact O-N 3.08Å
883	K	84.9	Confident	84.1	Confident	72 Å²	72	59.5 Å²	59.5	31%	0.313	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-106.9	15.1	-179.8	-65.5	-179.2	149.4	-73.6	0	112.6	L880 G881 E885 E886 I887 V919	L880-K883 HydrophobicContact CD2-CD 4.15Å; L880-K883 CarbonylContact O-C 3.56Å; L880-K883 WeakPolarHBondContact O-CA 3.31Å; L880-K883 WeakPolarHBondContact O-CB 3.3Å; L880-K883 PolarHBondContact O-N 3.41Å; G881-K883 PolarHBondContact O-N 3.25Å; K883-E885 PolarHBondContact O-N 3.42Å; K883-E886 HydrophobicContact CB-CB 4.4Å; K883-E886 HydrophobicContact CB-CG 4.43Å; K883-E886 WeakPolarHBondContact CG-OE1 3.39Å; K883-E886 IonicContact NZ-OE1 2.94Å; K883-E886 PolarHBondContact NZ-OE1 2.88Å; K883-E886 IonicContact NZ-OE2 4Å; K883-E886 PolarHBondContact NZ-OE2 2.99Å; K883-E886 WeakPolarHBondContact O-CA 3.43Å; K883-E886 VanDerWaalsContact O-CB 3.32Å; K883-E886 WeakPolarHBondContact O-CB 3.33Å; K883-E886 PolarHBondContact O-N 2.96Å; K883-I887 PolarHBondContact O-N 3.12Å; K883-V919 HydrophobicContact CB-CG1 4.17Å; K883-V919 HydrophobicContact CD-CG1 4.01Å
884	F	86.2	Confident	85	Confident	11 Å²	11	58.4 Å²	58.4	5%	0.048	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-30.1	-174.4	-166.9	-112.5	0	0	0	113.7	Y868 L871 Q872 A875 G881 I887 K888	Y868-F884 HydrophobicContact CE1-CE1 4.01Å; Y868-F884 HydrophobicContact CE1-CZ 4.39Å; Y868-F884 HydrophobicContact CE2-CE1 4.13Å; Y868-F884 HydrophobicContact CE2-CZ 4.48Å; Y868-F884 AromaticContact CZ-CE1 3.72Å; L871-F884 HydrophobicContact CB-CE2 4.38Å; L871-F884 HydrophobicContact CD2-CE2 4.17Å; L871-F884 HydrophobicContact CG-CE2 4.25Å; Q872-F884 VanDerWaalsContact CA-CE2 3.45Å; Q872-F884 HydrophobicContact CB-CD2 4.41Å; Q872-F884 HydrophobicContact CB-CE1 4.24Å; Q872-F884 HydrophobicContact CB-CE2 3.78Å; Q872-F884 HydrophobicContact CB-CZ 3.68Å; Q872-F884 HydrophobicContact CG-CD1 4.18Å; Q872-F884 HydrophobicContact CG-CD2 4.18Å; Q872-F884 HydrophobicContact CG-CE1 3.97Å; Q872-F884 HydrophobicContact CG-CE2 3.99Å; Q872-F884 HydrophobicContact CG-CG 4.27Å; Q872-F884 HydrophobicContact CG-CZ 3.87Å; A875-F884 HydrophobicContact CB-CD2 3.99Å; G881-F884 PolarHBondContact O-N 3.21Å; F884-I887 HydrophobicContact CD2-CB 4.44Å; F884-I887 HydrophobicContact CD2-CD1 4.48Å; F884-I887 PolarHBondContact O-N 2.8Å; F884-K888 HydrophobicContact CD1-CD 4.23Å; F884-K888 HydrophobicContact CD1-CG 4.31Å; F884-K888 HydrophobicContact CE1-CD 3.92Å; F884-K888 HydrophobicContact CE1-CG 4.01Å; F884-K888 HydrophobicContact CZ-CG 4.35Å; F884-K888 PolarHBondContact O-N 2.8Å
885	E	87.9	Confident	85.9	Confident	126 Å²	126	55.8 Å²	55.8	59%	0.589	29%	0.294	S	S	*	.	H	α-helix	trans	-64.2	-39	170.8	-59.3	-52.8	124	0	0	113	K883 I887 K888 K889	K883-E885 PolarHBondContact O-N 3.42Å; E885-I887 VanDerWaalsContact C-N 3.3Å; E885-I887 PolarHBondContact O-N 3.37Å; E885-K888 PolarHBondContact O-N 3.16Å; E885-K888 WeakPolarHBondContact OE1-CE 3.48Å; E885-K888 IonicContact OE1-NZ 3.97Å; E885-K888 PolarHBondContact OE1-NZ 2.84Å; E885-K888 WeakPolarHBondContact OE2-CE 3.39Å; E885-K888 IonicContact OE2-NZ 3.9Å; E885-K888 PolarHBondContact OE2-NZ 3.3Å; E885-K889 PolarHBondContact O-N 3.22Å; E885-K889 VanDerWaalsContact O-N 3.14Å
886	E	90.9	Very high	86.5	Confident	91 Å²	91	62.9 Å²	62.9	43%	0.425	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-38.8	172.1	-58.6	175.3	-144.3	0	0	110.7	K883 K889 A890 V919	K883-E886 HydrophobicContact CB-CB 4.4Å; K883-E886 HydrophobicContact CB-CG 4.43Å; K883-E886 WeakPolarHBondContact CG-OE1 3.39Å; K883-E886 IonicContact NZ-OE1 2.94Å; K883-E886 PolarHBondContact NZ-OE1 2.88Å; K883-E886 IonicContact NZ-OE2 4Å; K883-E886 PolarHBondContact NZ-OE2 2.99Å; K883-E886 WeakPolarHBondContact O-CA 3.43Å; K883-E886 VanDerWaalsContact O-CB 3.32Å; K883-E886 WeakPolarHBondContact O-CB 3.33Å; K883-E886 PolarHBondContact O-N 2.96Å; E886-K889 PolarHBondContact O-N 3.42Å; E886-A890 VanDerWaalsContact O-CB 3.27Å; E886-A890 WeakPolarHBondContact O-CB 3.38Å; E886-A890 PolarHBondContact O-N 2.83Å; E886-V919 HydrophobicContact CB-CG1 4.12Å; E886-V919 HydrophobicContact CB-CG2 3.98Å
887	I	91.6	Very high	87.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-43.7	178.6	-63.9	171.5	0	0	0	111.1	L871 A875 L880 K883 F884 E885 K889 A890 Y891 A915 Q916 V919	L871-I887 HydrophobicContact CD2-CG2 3.78Å; L871-I887 HydrophobicContact CG-CG2 4.23Å; A875-I887 HydrophobicContact CB-CD1 3.71Å; L880-I887 HydrophobicContact CB-CD1 4.06Å; L880-I887 HydrophobicContact CD1-CD1 4.49Å; K883-I887 PolarHBondContact O-N 3.12Å; F884-I887 HydrophobicContact CD2-CB 4.44Å; F884-I887 HydrophobicContact CD2-CD1 4.48Å; F884-I887 PolarHBondContact O-N 2.8Å; E885-I887 VanDerWaalsContact C-N 3.3Å; E885-I887 PolarHBondContact O-N 3.37Å; I887-K889 VanDerWaalsContact C-N 3.34Å; I887-K889 PolarHBondContact O-N 3.38Å; I887-A890 PolarHBondContact O-N 3.22Å; I887-Y891 WeakPolarHBondContact O-CB 3.31Å; I887-Y891 PolarHBondContact O-N 2.96Å; I887-A915 HydrophobicContact CG2-CB 4.36Å; I887-Q916 HydrophobicContact CD1-CG 4.4Å; I887-Q916 HydrophobicContact CG2-CG 4.35Å; I887-V919 HydrophobicContact CB-CG2 4.5Å; I887-V919 HydrophobicContact CG1-CB 4.05Å; I887-V919 HydrophobicContact CG1-CG1 4.05Å; I887-V919 HydrophobicContact CG1-CG2 3.87Å
888	K	91.5	Very high	88.4	Confident	7 Å²	7	53.7 Å²	53.7	3%	0.03	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-41.1	175.2	-73.2	-175	-60.5	173.5	0	112.1	D857 I863 Y868 F884 E885 Y891 A892	D857-K888 IonicContact OD2-NZ 3.73Å; D857-K888 PolarHBondContact OD2-NZ 2.77Å; I863-K888 HydrophobicContact CD1-CG 4.15Å; Y868-K888 HydrophobicContact CE2-CD 3.83Å; F884-K888 HydrophobicContact CD1-CD 4.23Å; F884-K888 HydrophobicContact CD1-CG 4.31Å; F884-K888 HydrophobicContact CE1-CD 3.92Å; F884-K888 HydrophobicContact CE1-CG 4.01Å; F884-K888 HydrophobicContact CZ-CG 4.35Å; F884-K888 PolarHBondContact O-N 2.8Å; E885-K888 PolarHBondContact O-N 3.16Å; E885-K888 WeakPolarHBondContact OE1-CE 3.48Å; E885-K888 IonicContact OE1-NZ 3.97Å; E885-K888 PolarHBondContact OE1-NZ 2.84Å; E885-K888 WeakPolarHBondContact OE2-CE 3.39Å; E885-K888 IonicContact OE2-NZ 3.9Å; E885-K888 PolarHBondContact OE2-NZ 3.3Å; K888-Y891 WeakPolarHBondContact O-CB 3.4Å; K888-Y891 PolarHBondContact O-N 3.5Å; K888-A892 PolarHBondContact O-N 3.43Å
889	K	93	Very high	89.1	Confident	146 Å²	146	49.3 Å²	49.3	64%	0.635	25%	0.25	S	C	*	.	H	α-helix	trans	-65.2	-48.5	173.8	-173	-179	175.7	-174.7	0	111.5	E885 E886 I887 Y891 A892 D893	E885-K889 PolarHBondContact O-N 3.22Å; E885-K889 VanDerWaalsContact O-N 3.14Å; E886-K889 PolarHBondContact O-N 3.42Å; I887-K889 VanDerWaalsContact C-N 3.34Å; I887-K889 PolarHBondContact O-N 3.38Å; K889-Y891 PolarHBondContact O-N 2.81Å; K889-A892 WeakPolarHBondContact O-CB 3.22Å; K889-A892 PolarHBondContact O-N 3.43Å; K889-A892 VanDerWaalsContact O-N 3.1Å; K889-D893 PolarHBondContact O-N 3.01Å; K889-D893 VanDerWaalsContact O-N 3.08Å
890	A	93.5	Very high	89.8	Confident	10 Å²	10	47.7 Å²	47.7	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-27.1	177.5	0	0	0	0	0	112.8	E886 I887 D893 A894 A915 M918 V919	E886-A890 VanDerWaalsContact O-CB 3.27Å; E886-A890 WeakPolarHBondContact O-CB 3.38Å; E886-A890 PolarHBondContact O-N 2.83Å; I887-A890 PolarHBondContact O-N 3.22Å; A890-D893 PolarHBondContact O-N 3.23Å; A890-A894 WeakPolarHBondContact O-CB 3.49Å; A890-A894 PolarHBondContact O-N 3.46Å; A890-A915 HydrophobicContact CB-CB 4.16Å; A890-M918 HydrophobicContact CB-CB 4.45Å; A890-V919 HydrophobicContact CB-CG2 3.67Å
891	Y	95.2	Very high	90.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.7	-42.2	173.3	-168.8	-80.4	0	0	0	112.2	H861 I863 L871 I887 K888 K889 D893 N895 K903 S908 V911 G912 A915	H861-Y891 WeakPolarHBondContact O-CD1 3.14Å; H861-Y891 WeakPolarHBondContact O-CE1 3.35Å; I863-Y891 HydrophobicContact CB-CE1 4.2Å; I863-Y891 HydrophobicContact CD1-CD1 4.07Å; I863-Y891 HydrophobicContact CD1-CD2 4.25Å; I863-Y891 HydrophobicContact CD1-CE1 4.44Å; I863-Y891 HydrophobicContact CD1-CG 3.96Å; I863-Y891 HydrophobicContact CG1-CD1 3.36Å; I863-Y891 HydrophobicContact CG1-CD2 4.01Å; I863-Y891 HydrophobicContact CG1-CE1 3.32Å; I863-Y891 HydrophobicContact CG1-CE2 4Å; I863-Y891 HydrophobicContact CG1-CG 3.71Å; L871-Y891 HydrophobicContact CD2-CD2 4.18Å; I887-Y891 WeakPolarHBondContact O-CB 3.31Å; I887-Y891 PolarHBondContact O-N 2.96Å; K888-Y891 WeakPolarHBondContact O-CB 3.4Å; K888-Y891 PolarHBondContact O-N 3.5Å; K889-Y891 PolarHBondContact O-N 2.81Å; Y891-D893 VanDerWaalsContact C-N 3.34Å; Y891-N895 WeakPolarHBondContact O-CB 3.3Å; Y891-N895 PolarHBondContact O-N 3.04Å; Y891-K903 HydrophobicContact CE1-CD 3.78Å; Y891-S908 WeakPolarHBondContact CE2-O 3.42Å; Y891-S908 WeakPolarHBondContact OH-CA 3.46Å; Y891-S908 PolarHBondContact OH-O 3.29Å; Y891-S908 VanDerWaalsContact OH-O 3.06Å; Y891-V911 HydrophobicContact CD1-CG1 3.81Å; Y891-V911 HydrophobicContact CD2-CB 4.25Å; Y891-V911 HydrophobicContact CD2-CG1 3.74Å; Y891-V911 HydrophobicContact CE1-CB 4.36Å; Y891-V911 HydrophobicContact CE1-CG1 3.8Å; Y891-V911 HydrophobicContact CE2-CB 3.76Å; Y891-V911 HydrophobicContact CE2-CG1 3.7Å; Y891-V911 HydrophobicContact CG-CG1 3.79Å; Y891-V911 WeakPolarHBondContact O-CG1 3.5Å; Y891-G912 VanDerWaalsContact CE2-N 3.35Å; Y891-A915 HydrophobicContact CD2-CB 4.25Å
892	A	93.9	Very high	91.3	Very high	6 Å²	6	46 Å²	46	5%	0.05	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-41.2	172.4	0	0	0	0	0	111.8	H861 K888 K889 R896	H861-A892 HydrophobicContact CB-CB 4.44Å; K888-A892 PolarHBondContact O-N 3.43Å; K889-A892 WeakPolarHBondContact O-CB 3.22Å; K889-A892 PolarHBondContact O-N 3.43Å; K889-A892 VanDerWaalsContact O-N 3.1Å; A892-R896 WeakPolarHBondContact O-CG 3.34Å; A892-R896 PolarHBondContact O-N 3.48Å
893	D	94.5	Very high	91.8	Very high	44 Å²	44	35.8 Å²	35.8	24%	0.235	17%	0.168	C	C	.	.	H	α-helix	trans	-73.9	-36.4	179.7	-65.7	-30.4	0	0	0	112.3	K889 A890 Y891 R896 L897 A925	K889-D893 PolarHBondContact O-N 3.01Å; K889-D893 VanDerWaalsContact O-N 3.08Å; A890-D893 PolarHBondContact O-N 3.23Å; Y891-D893 VanDerWaalsContact C-N 3.34Å; D893-R896 PolarHBondContact O-N 3.18Å; D893-R896 IonicContact OD1-CZ 3.86Å; D893-R896 IonicContact OD1-NH1 2.68Å; D893-R896 PolarHBondContact OD1-NH1 3.3Å; D893-L897 WeakPolarHBondContact O-CB 3.46Å; D893-L897 PolarHBondContact O-N 2.68Å; D893-A925 HydrophobicContact CB-CB 4.35Å
894	A	94.1	Very high	92.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-39.5	171.4	0	0	0	0	0	112.1	A890 L897 L898 V911 L914 M918	A890-A894 WeakPolarHBondContact O-CB 3.49Å; A890-A894 PolarHBondContact O-N 3.46Å; A894-L897 PolarHBondContact O-N 2.89Å; A894-L898 WeakPolarHBondContact O-CB 3.26Å; A894-L898 VanDerWaalsContact O-CG 3.25Å; A894-L898 WeakPolarHBondContact O-CG 3.33Å; A894-L898 PolarHBondContact O-N 3.05Å; A894-V911 HydrophobicContact CB-CG1 3.99Å; A894-L914 HydrophobicContact CB-CB 4.34Å; A894-L914 HydrophobicContact CB-CD2 4.05Å; A894-L914 HydrophobicContact CB-CG 4.11Å; A894-M918 HydrophobicContact CB-SD 4.07Å
895	N	94.3	Very high	92.1	Very high	8 Å²	8	35 Å²	35	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-48.1	173	174.9	54.6	0	0	0	111.5	Y891 L898 G899 D900 L901 K903 V911	Y891-N895 WeakPolarHBondContact O-CB 3.3Å; Y891-N895 PolarHBondContact O-N 3.04Å; N895-L898 PolarHBondContact O-N 3.35Å; N895-G899 PolarHBondContact O-N 3.08Å; N895-D900 PolarHBondContact ND2-OD1 3.07Å; N895-D900 WeakPolarHBondContact O-CA 3.1Å; N895-D900 PolarHBondContact O-N 2.95Å; N895-L901 PolarHBondContact OD1-N 2.86Å; N895-L901 PolarHBondContact OD1-O 3.42Å; N895-K903 HydrophobicContact CB-CD 3.99Å; N895-K903 PolarHBondContact ND2-NZ 3.39Å; N895-K903 VanDerWaalsContact ND2-NZ 3.14Å; N895-K903 WeakPolarHBondContact OD1-CD 3.43Å; N895-K903 PolarHBondContact OD1-NZ 3.47Å; N895-V911 HydrophobicContact CB-CG1 4.24Å
896	R	91.8	Very high	91.9	Very high	150 Å²	150	30.1 Å²	30.1	57%	0.566	15%	0.15	S	C	*	.	H	α-helix	trans	-60.4	-47.5	176.9	-68	165.4	-176.4	136.8	5.1	111.5	A892 D893 L898 G899	A892-R896 WeakPolarHBondContact O-CG 3.34Å; A892-R896 PolarHBondContact O-N 3.48Å; D893-R896 PolarHBondContact O-N 3.18Å; D893-R896 IonicContact OD1-CZ 3.86Å; D893-R896 IonicContact OD1-NH1 2.68Å; D893-R896 PolarHBondContact OD1-NH1 3.3Å; R896-L898 VanDerWaalsContact C-N 3.31Å; R896-L898 PolarHBondContact O-N 3.26Å; R896-G899 PolarHBondContact O-N 2.98Å; R896-G899 VanDerWaalsContact O-N 3.08Å
897	L	92.4	Very high	91.9	Very high	26 Å²	26	25.8 Å²	25.8	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-57.8	-40.7	178.1	176.3	62.1	0	0	0	112.6	D893 A894 G899 L914 A925 V928 A929 L960	D893-L897 WeakPolarHBondContact O-CB 3.46Å; D893-L897 PolarHBondContact O-N 2.68Å; A894-L897 PolarHBondContact O-N 2.89Å; L897-G899 PolarHBondContact O-N 3.19Å; L897-L914 HydrophobicContact CD2-CD2 4.31Å; L897-A925 HydrophobicContact CB-CB 4.29Å; L897-A925 HydrophobicContact CD2-CB 4.28Å; L897-V928 HydrophobicContact CD2-CB 3.89Å; L897-V928 HydrophobicContact CD2-CG1 3.77Å; L897-A929 HydrophobicContact CD1-CB 3.84Å; L897-L960 HydrophobicContact CD1-CD1 4.34Å; L897-L960 HydrophobicContact CD1-CD2 3.72Å; L897-L960 HydrophobicContact CG-CD2 3.88Å; L897-L960 VanDerWaalsContact O-CD2 3.25Å; L897-L960 WeakPolarHBondContact O-CD2 3.05Å
898	L	92	Very high	91.8	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4	179.2	-65.7	170.7	0	0	0	113.9	A894 N895 R896 L901 M910 V911 L914 V941 M945	A894-L898 WeakPolarHBondContact O-CB 3.26Å; A894-L898 VanDerWaalsContact O-CG 3.25Å; A894-L898 WeakPolarHBondContact O-CG 3.33Å; A894-L898 PolarHBondContact O-N 3.05Å; N895-L898 PolarHBondContact O-N 3.35Å; R896-L898 VanDerWaalsContact C-N 3.31Å; R896-L898 PolarHBondContact O-N 3.26Å; L898-L901 HydrophobicContact CB-CD1 3.83Å; L898-L901 HydrophobicContact CB-CG 4.44Å; L898-M910 HydrophobicContact CD1-CE 4.03Å; L898-M910 HydrophobicContact CD1-SD 4.39Å; L898-V911 HydrophobicContact CD1-CG2 4.03Å; L898-L914 HydrophobicContact CD1-CD2 3.69Å; L898-L914 HydrophobicContact CD2-CD2 3.98Å; L898-L914 HydrophobicContact CG-CD2 3.84Å; L898-V941 HydrophobicContact CD2-CG1 3.95Å; L898-M945 HydrophobicContact CD2-CE 3.48Å; L898-M945 VanDerWaalsContact CD2-CE 3.48Å
899	G	90	Very high	91.6	Very high	18 Å²	18	29.5 Å²	29.5	19%	0.186	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.1	11.6	172.1	0	0	0	0	0	115.8	K714 N895 R896 L897	K714-G899 PolarHBondContact NZ-O 3.39Å; N895-G899 PolarHBondContact O-N 3.08Å; R896-G899 PolarHBondContact O-N 2.98Å; R896-G899 VanDerWaalsContact O-N 3.08Å; L897-G899 PolarHBondContact O-N 3.19Å
900	D	91.4	Very high	91.5	Very high	31 Å²	31	22.7 Å²	22.7	17%	0.166	12%	0.116	C	C	.	.	S	Bend	trans	55.3	92.6	-168.8	-167.9	27.1	0	0	0	112.1	K714 Y715 N895	K714-D900 HydrophobicContact CD-CB 4.38Å; Y715-D900 WeakPolarHBondContact CE2-O 3.19Å; Y715-D900 PolarHBondContact OH-O 3.36Å; N895-D900 PolarHBondContact ND2-OD1 3.07Å; N895-D900 WeakPolarHBondContact O-CA 3.1Å; N895-D900 PolarHBondContact O-N 2.95Å
901	L	92	Very high	91.5	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	11%	0.112	C	C	.	.			trans	-109.8	159.7	-165.8	-60.9	178.5	0	0	0	113	N895 L898 K903 M910 F944 P952	N895-L901 PolarHBondContact OD1-N 2.86Å; N895-L901 PolarHBondContact OD1-O 3.42Å; L898-L901 HydrophobicContact CB-CD1 3.83Å; L898-L901 HydrophobicContact CB-CG 4.44Å; L901-K903 PolarHBondContact O-NZ 3.4Å; L901-M910 HydrophobicContact CD1-CE 3.74Å; L901-F944 HydrophobicContact CD1-CE1 3.89Å; L901-F944 HydrophobicContact CD1-CE2 4.22Å; L901-F944 HydrophobicContact CD1-CZ 3.54Å; L901-F944 HydrophobicContact CD2-CZ 4.03Å; L901-F944 HydrophobicContact CG-CZ 4.46Å; L901-P952 HydrophobicContact CD2-CB 3.84Å
902	I	94	Very high	91.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.			trans	-67.8	128.5	157.6	-65.9	150.7	0	0	0	108.1	S676 L677 N678 S702 T704 Y715 M740 V904 T907 P953	S676-I902 WeakPolarHBondContact O-CG2 3.48Å; L677-I902 VanDerWaalsContact C-CD1 3.5Å; L677-I902 WeakPolarHBondContact O-CD1 3.33Å; N678-I902 HydrophobicContact CB-CD1 3.81Å; N678-I902 WeakPolarHBondContact ND2-CD1 3.37Å; S702-I902 VanDerWaalsContact CB-CG2 3.49Å; T704-I902 HydrophobicContact CG2-CG1 3.74Å; Y715-I902 HydrophobicContact CE1-CD1 4.05Å; Y715-I902 HydrophobicContact CE1-CG1 4Å; M740-I902 HydrophobicContact CE-CG2 4.2Å; I902-V904 HydrophobicContact CG2-CG1 4.27Å; I902-T907 PolarHBondContact O-OG1 2.95Å; I902-P953 HydrophobicContact CD1-CG 4.27Å
903	K	93.2	Very high	91.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.			trans	-118.1	91.7	-169.9	-71.4	171.8	-64.8	-67.7	0	110.3	M740 E862 P864 Y891 N895 L901 T907 V911	M740-K903 WeakPolarHBondContact CE-O 3.41Å; E862-K903 VanDerWaalsContact O-CE 3.27Å; E862-K903 WeakPolarHBondContact O-CE 3.36Å; E862-K903 WeakPolarHBondContact OE2-CE 3.34Å; E862-K903 IonicContact OE2-NZ 3.7Å; E862-K903 PolarHBondContact OE2-NZ 3.34Å; P864-K903 WeakPolarHBondContact CG-O 3.4Å; Y891-K903 HydrophobicContact CE1-CD 3.78Å; N895-K903 HydrophobicContact CB-CD 3.99Å; N895-K903 PolarHBondContact ND2-NZ 3.39Å; N895-K903 VanDerWaalsContact ND2-NZ 3.14Å; N895-K903 WeakPolarHBondContact OD1-CD 3.43Å; N895-K903 PolarHBondContact OD1-NZ 3.47Å; L901-K903 PolarHBondContact O-NZ 3.4Å; K903-T907 WeakPolarHBondContact CA-OG1 3.44Å; K903-V911 HydrophobicContact CD-CG2 4.34Å; K903-V911 HydrophobicContact CG-CG2 4.22Å
904	V	90.6	Very high	91	Very high	9 Å²	9	20.9 Å²	20.9	6%	0.055	10%	0.104	C	C	.	.			trans	-151.2	155.9	176.4	66.2	0	0	0	0	109.2	F674 M740 I902 P906 T907 S908	F674-V904 HydrophobicContact CD2-CG1 4.14Å; F674-V904 HydrophobicContact CE2-CG1 3.82Å; F674-V904 HydrophobicContact CE2-CG2 3.95Å; M740-V904 HydrophobicContact CB-CB 4.44Å; M740-V904 HydrophobicContact CB-CG2 3.99Å; M740-V904 HydrophobicContact CG-CB 3.89Å; M740-V904 HydrophobicContact CG-CG2 4.01Å; M740-V904 HydrophobicContact SD-CB 4.07Å; M740-V904 HydrophobicContact SD-CG2 4.48Å; I902-V904 HydrophobicContact CG2-CG1 4.27Å; V904-P906 CarbonylContact O-C 3.43Å; V904-P906 VanDerWaalsContact O-N 3.09Å; V904-T907 PolarHBondContact N-OG1 3.47Å; V904-T907 PolarHBondContact O-N 2.98Å; V904-T907 PolarHBondContact O-OG1 3.39Å; V904-S908 VanDerWaalsContact C-OG 3.3Å; V904-S908 PolarHBondContact O-N 2.96Å
905	T	85.5	Confident	91	Very high	57 Å²	57	20.9 Å²	20.9	35%	0.35	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	115.8	-167.2	-54.5	0	0	0	0	112.6	R641 Y648 S908	R641-T905 PolarHBondContact NH1-O 2.95Å; Y648-T905 HydrophobicContact CE1-CG2 4.5Å; T905-S908 PolarHBondContact N-OG 3.21Å
906	P	85	Confident	90.7	Very high	24 Å²	24	21.3 Å²	21.3	16%	0.156	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	cis	-103.1	-7.7	21.8	33.8	-24.4	0	0	0	117	S676 V904 S908 K909 M910 I949	S676-P906 WeakPolarHBondContact OG-CD 3.5Å; V904-P906 CarbonylContact O-C 3.43Å; V904-P906 VanDerWaalsContact O-N 3.09Å; P906-S908 VanDerWaalsContact C-N 3.29Å; P906-S908 PolarHBondContact O-N 3.21Å; P906-K909 WeakPolarHBondContact O-CB 3.45Å; P906-K909 PolarHBondContact O-N 2.94Å; P906-M910 PolarHBondContact O-N 3.21Å; P906-M910 VanDerWaalsContact O-N 3.16Å; P906-I949 HydrophobicContact CG-CD1 4.19Å; P906-I949 HydrophobicContact CG-CG1 4.42Å; P906-I949 HydrophobicContact CG-CG2 4.25Å
907	T	89.9	Confident	90.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.8	-36	-177.1	60.8	0	0	0	0	112.5	S676 L677 I902 K903 V904 K909 M910 V911 I949	S676-T907 PolarHBondContact O-OG1 3.28Å; L677-T907 HydrophobicContact CD2-CG2 3.78Å; L677-T907 HydrophobicContact CG-CG2 4.05Å; I902-T907 PolarHBondContact O-OG1 2.95Å; K903-T907 WeakPolarHBondContact CA-OG1 3.44Å; V904-T907 PolarHBondContact N-OG1 3.47Å; V904-T907 PolarHBondContact O-N 2.98Å; V904-T907 PolarHBondContact O-OG1 3.39Å; T907-K909 VanDerWaalsContact C-N 3.28Å; T907-K909 PolarHBondContact O-N 3.33Å; T907-M910 WeakPolarHBondContact O-CB 3.45Å; T907-M910 PolarHBondContact O-N 2.93Å; T907-V911 WeakPolarHBondContact O-CG2 3.47Å; T907-V911 PolarHBondContact O-N 3.49Å; T907-I949 HydrophobicContact CG2-CD1 4.46Å; T907-I949 HydrophobicContact CG2-CG2 3.99Å
908	S	90.4	Very high	90.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.1	-32.2	174.5	57.2	0	0	0	0	113.6	Y891 V904 T905 P906 G912	Y891-S908 WeakPolarHBondContact CE2-O 3.42Å; Y891-S908 WeakPolarHBondContact OH-CA 3.46Å; Y891-S908 PolarHBondContact OH-O 3.29Å; Y891-S908 VanDerWaalsContact OH-O 3.06Å; V904-S908 VanDerWaalsContact C-OG 3.3Å; V904-S908 PolarHBondContact O-N 2.96Å; T905-S908 PolarHBondContact N-OG 3.21Å; P906-S908 VanDerWaalsContact C-N 3.29Å; P906-S908 PolarHBondContact O-N 3.21Å; S908-G912 PolarHBondContact O-N 2.93Å
909	K	86.7	Confident	90.6	Very high	86 Å²	86	15.4 Å²	15.4	37%	0.374	8%	0.084	S	C	.	.	H	α-helix	trans	-70.5	-47.9	173.4	-175	-159	174.5	-59.6	0	110.2	P906 T907 V911 G912 D913	P906-K909 WeakPolarHBondContact O-CB 3.45Å; P906-K909 PolarHBondContact O-N 2.94Å; T907-K909 VanDerWaalsContact C-N 3.28Å; T907-K909 PolarHBondContact O-N 3.33Å; K909-V911 PolarHBondContact O-N 2.89Å; K909-G912 CarbonylContact O-C 3.6Å; K909-G912 VanDerWaalsContact O-CA 3.26Å; K909-G912 WeakPolarHBondContact O-CA 3.39Å; K909-G912 PolarHBondContact O-N 2.86Å; K909-D913 IonicContact NZ-OD1 3.28Å; K909-D913 PolarHBondContact NZ-OD1 2.64Å; K909-D913 IonicContact NZ-OD2 2.78Å; K909-D913 PolarHBondContact NZ-OD2 3.34Å; K909-D913 VanDerWaalsContact O-CG 3.24Å; K909-D913 PolarHBondContact O-N 3.3Å
910	M	90.2	Very high	90.5	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	10%	0.098	C	C	.	.	H	α-helix	trans	-54.4	-48.8	177.7	168.6	-163.3	63.2	0	0	112.3	L898 L901 P906 T907 G912 D913 L914 V941 F944	L898-M910 HydrophobicContact CD1-CE 4.03Å; L898-M910 HydrophobicContact CD1-SD 4.39Å; L901-M910 HydrophobicContact CD1-CE 3.74Å; P906-M910 PolarHBondContact O-N 3.21Å; P906-M910 VanDerWaalsContact O-N 3.16Å; T907-M910 WeakPolarHBondContact O-CB 3.45Å; T907-M910 PolarHBondContact O-N 2.93Å; M910-G912 PolarHBondContact O-N 3.05Å; M910-D913 PolarHBondContact O-N 3.06Å; M910-L914 PolarHBondContact O-N 3.36Å; M910-V941 HydrophobicContact CG-CB 4.36Å; M910-V941 HydrophobicContact CG-CG2 3.81Å; M910-F944 HydrophobicContact CE-CB 4.43Å; M910-F944 HydrophobicContact CE-CD1 3.96Å; M910-F944 HydrophobicContact CE-CD2 4.21Å; M910-F944 HydrophobicContact CE-CE1 4.24Å; M910-F944 HydrophobicContact CE-CE2 4.49Å; M910-F944 HydrophobicContact CE-CG 3.94Å; M910-F944 HydrophobicContact SD-CB 3.22Å; M910-F944 WeakPolarHBondContact SD-CB 3.49Å; M910-F944 HydrophobicContact SD-CD1 3.41Å; M910-F944 WeakPolarHBondContact SD-CD1 3.38Å; M910-F944 HydrophobicContact SD-CD2 4.06Å; M910-F944 HydrophobicContact SD-CE1 4.27Å; M910-F944 HydrophobicContact SD-CG 3.28Å; M910-F944 WeakPolarHBondContact SD-CG 3.27Å
911	V	94.1	Very high	90.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-34.5	176.5	-178.1	0	0	0	0	110.6	Y891 A894 N895 L898 K903 T907 K909 A915	Y891-V911 HydrophobicContact CD1-CG1 3.81Å; Y891-V911 HydrophobicContact CD2-CB 4.25Å; Y891-V911 HydrophobicContact CD2-CG1 3.74Å; Y891-V911 HydrophobicContact CE1-CB 4.36Å; Y891-V911 HydrophobicContact CE1-CG1 3.8Å; Y891-V911 HydrophobicContact CE2-CB 3.76Å; Y891-V911 HydrophobicContact CE2-CG1 3.7Å; Y891-V911 HydrophobicContact CG-CG1 3.79Å; Y891-V911 WeakPolarHBondContact O-CG1 3.5Å; A894-V911 HydrophobicContact CB-CG1 3.99Å; N895-V911 HydrophobicContact CB-CG1 4.24Å; L898-V911 HydrophobicContact CD1-CG2 4.03Å; K903-V911 HydrophobicContact CD-CG2 4.34Å; K903-V911 HydrophobicContact CG-CG2 4.22Å; T907-V911 WeakPolarHBondContact O-CG2 3.47Å; T907-V911 PolarHBondContact O-N 3.49Å; K909-V911 PolarHBondContact O-N 2.89Å; V911-A915 VanDerWaalsContact O-CB 3.29Å; V911-A915 WeakPolarHBondContact O-CB 3.35Å; V911-A915 PolarHBondContact O-N 2.94Å
912	G	91.6	Very high	90.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-45.6	173.2	0	0	0	0	0	114.4	L871 Y891 S908 K909 M910 L914 A915 Q916	L871-G912 VanDerWaalsContact CD1-CA 3.43Å; Y891-G912 VanDerWaalsContact CE2-N 3.35Å; S908-G912 PolarHBondContact O-N 2.93Å; K909-G912 CarbonylContact O-C 3.6Å; K909-G912 VanDerWaalsContact O-CA 3.26Å; K909-G912 WeakPolarHBondContact O-CA 3.39Å; K909-G912 PolarHBondContact O-N 2.86Å; M910-G912 PolarHBondContact O-N 3.05Å; G912-L914 VanDerWaalsContact C-N 3.32Å; G912-L914 PolarHBondContact O-N 2.81Å; G912-A915 PolarHBondContact O-N 3.38Å; G912-Q916 WeakPolarHBondContact O-CG 3.3Å; G912-Q916 PolarHBondContact O-N 3.06Å
913	D	89.7	Confident	90	Very high	21 Å²	21	31 Å²	31	11%	0.112	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-44	176.7	-57.6	-38.8	0	0	0	110.1	K909 M910 F917 P938 S940	K909-D913 IonicContact NZ-OD1 3.28Å; K909-D913 PolarHBondContact NZ-OD1 2.64Å; K909-D913 IonicContact NZ-OD2 2.78Å; K909-D913 PolarHBondContact NZ-OD2 3.34Å; K909-D913 VanDerWaalsContact O-CG 3.24Å; K909-D913 PolarHBondContact O-N 3.3Å; M910-D913 PolarHBondContact O-N 3.06Å; D913-F917 WeakPolarHBondContact O-CB 3.42Å; D913-F917 PolarHBondContact O-N 3.46Å; D913-P938 HydrophobicContact CB-CB 3.9Å; D913-P938 HydrophobicContact CB-CG 4.1Å; D913-S940 WeakPolarHBondContact OD2-CB 3.36Å; D913-S940 PolarHBondContact OD2-OG 3.17Å
914	L	92.8	Very high	89.9	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-68.1	-40.6	177.3	-173.7	56.9	0	0	0	112.4	A894 L897 L898 M910 G912 F917 M918 L937 V941	A894-L914 HydrophobicContact CB-CB 4.34Å; A894-L914 HydrophobicContact CB-CD2 4.05Å; A894-L914 HydrophobicContact CB-CG 4.11Å; L897-L914 HydrophobicContact CD2-CD2 4.31Å; L898-L914 HydrophobicContact CD1-CD2 3.69Å; L898-L914 HydrophobicContact CD2-CD2 3.98Å; L898-L914 HydrophobicContact CG-CD2 3.84Å; M910-L914 PolarHBondContact O-N 3.36Å; G912-L914 VanDerWaalsContact C-N 3.32Å; G912-L914 PolarHBondContact O-N 2.81Å; L914-F917 HydrophobicContact CD1-CD1 4.38Å; L914-F917 WeakPolarHBondContact O-CB 3.48Å; L914-F917 PolarHBondContact O-N 3.27Å; L914-M918 HydrophobicContact CD1-CG 4.44Å; L914-M918 HydrophobicContact CG-SD 4.14Å; L914-M918 WeakPolarHBondContact O-CB 3.31Å; L914-M918 WeakPolarHBondContact O-CG 3.25Å; L914-M918 PolarHBondContact O-N 2.72Å; L914-L937 HydrophobicContact CD1-CD2 4.13Å; L914-V941 HydrophobicContact CB-CG2 3.98Å
915	A	93.3	Very high	89.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-43.8	176.3	0	0	0	0	0	112.2	I887 A890 Y891 V911 G912 M918 V919	I887-A915 HydrophobicContact CG2-CB 4.36Å; A890-A915 HydrophobicContact CB-CB 4.16Å; Y891-A915 HydrophobicContact CD2-CB 4.25Å; V911-A915 VanDerWaalsContact O-CB 3.29Å; V911-A915 WeakPolarHBondContact O-CB 3.35Å; V911-A915 PolarHBondContact O-N 2.94Å; G912-A915 PolarHBondContact O-N 3.38Å; A915-M918 PolarHBondContact O-N 3.22Å; A915-V919 WeakPolarHBondContact O-CG2 3.37Å; A915-V919 PolarHBondContact O-N 3.38Å
916	Q	88.9	Confident	90	Very high	17 Å²	17	38.1 Å²	38.1	8%	0.079	20%	0.195	C	C	.	.	H	α-helix	trans	-63.7	-43.1	173.7	-71.7	177.4	30	0	0	111.3	L871 L878 I887 G912 M918 V919 T920	L871-Q916 HydrophobicContact CD1-CG 4.38Å; L878-Q916 VanDerWaalsContact CD1-OE1 3.28Å; I887-Q916 HydrophobicContact CD1-CG 4.4Å; I887-Q916 HydrophobicContact CG2-CG 4.35Å; G912-Q916 WeakPolarHBondContact O-CG 3.3Å; G912-Q916 PolarHBondContact O-N 3.06Å; Q916-M918 PolarHBondContact O-N 2.85Å; Q916-V919 PolarHBondContact O-N 3.34Å; Q916-T920 VanDerWaalsContact O-CB 3.3Å; Q916-T920 WeakPolarHBondContact O-CB 3.49Å; Q916-T920 PolarHBondContact O-N 2.89Å; Q916-T920 PolarHBondContact O-OG1 3.37Å
917	F	90.3	Very high	90.2	Very high	36 Å²	36	41 Å²	41	16%	0.158	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-44.6	175.7	179.2	-88.9	0	0	0	112.1	D913 L914 T920 N921 L923 L935 S936 L937 P938	D913-F917 WeakPolarHBondContact O-CB 3.42Å; D913-F917 PolarHBondContact O-N 3.46Å; L914-F917 HydrophobicContact CD1-CD1 4.38Å; L914-F917 WeakPolarHBondContact O-CB 3.48Å; L914-F917 PolarHBondContact O-N 3.27Å; F917-T920 PolarHBondContact O-N 2.76Å; F917-N921 WeakPolarHBondContact CD2-ND2 3.49Å; F917-N921 WeakPolarHBondContact CE2-ND2 3.42Å; F917-N921 WeakPolarHBondContact O-CB 3.32Å; F917-N921 PolarHBondContact O-N 3.44Å; F917-N921 PolarHBondContact O-ND2 2.94Å; F917-L923 HydrophobicContact CE1-CD1 3.86Å; F917-L935 HydrophobicContact CZ-CD2 4.4Å; F917-S936 WeakPolarHBondContact CE2-O 3.38Å; F917-L937 HydrophobicContact CD1-CD2 4.08Å; F917-L937 HydrophobicContact CE1-CD2 3.64Å; F917-L937 HydrophobicContact CZ-CD2 4.12Å; F917-P938 HydrophobicContact CB-CG 3.98Å; F917-P938 HydrophobicContact CD2-CG 4.35Å; F917-P938 HydrophobicContact CG-CG 4.3Å
918	M	92.1	Very high	90.2	Very high	5 Å²	5	41 Å²	41	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-48.1	177.1	-75.2	170.8	61.3	0	0	112	A890 A894 L914 A915 Q916 K922 L923 A925 V928	A890-M918 HydrophobicContact CB-CB 4.45Å; A894-M918 HydrophobicContact CB-SD 4.07Å; L914-M918 HydrophobicContact CD1-CG 4.44Å; L914-M918 HydrophobicContact CG-SD 4.14Å; L914-M918 WeakPolarHBondContact O-CB 3.31Å; L914-M918 WeakPolarHBondContact O-CG 3.25Å; L914-M918 PolarHBondContact O-N 2.72Å; A915-M918 PolarHBondContact O-N 3.22Å; Q916-M918 PolarHBondContact O-N 2.85Å; M918-K922 CarbonylContact O-C 3.6Å; M918-K922 WeakPolarHBondContact O-CA 3.3Å; M918-K922 PolarHBondContact O-N 3.38Å; M918-L923 PolarHBondContact O-N 2.72Å; M918-A925 HydrophobicContact CE-CB 4.09Å; M918-V928 HydrophobicContact CG-CG2 3.94Å; M918-V928 HydrophobicContact SD-CG2 4.47Å
919	V	90.2	Very high	90.1	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	22%	0.22	C	C	.	.	H	α-helix	trans	-67.4	-38.2	179.2	173.3	0	0	0	0	112.3	K883 E886 I887 A890 A915 Q916 K922	K883-V919 HydrophobicContact CB-CG1 4.17Å; K883-V919 HydrophobicContact CD-CG1 4.01Å; E886-V919 HydrophobicContact CB-CG1 4.12Å; E886-V919 HydrophobicContact CB-CG2 3.98Å; I887-V919 HydrophobicContact CB-CG2 4.5Å; I887-V919 HydrophobicContact CG1-CB 4.05Å; I887-V919 HydrophobicContact CG1-CG1 4.05Å; I887-V919 HydrophobicContact CG1-CG2 3.87Å; A890-V919 HydrophobicContact CB-CG2 3.67Å; A915-V919 WeakPolarHBondContact O-CG2 3.37Å; A915-V919 PolarHBondContact O-N 3.38Å; Q916-V919 PolarHBondContact O-N 3.34Å; V919-K922 PolarHBondContact O-N 2.86Å
920	T	87.8	Confident	90.2	Very high	77 Å²	77	44.9 Å²	44.9	47%	0.472	23%	0.232	S	C	.	.	H	α-helix	trans	-63.4	-46.6	178	-56.1	0	0	0	0	111.2	L880 Q916 F917	L880-T920 WeakPolarHBondContact CD1-OG1 3.45Å; Q916-T920 VanDerWaalsContact O-CB 3.3Å; Q916-T920 WeakPolarHBondContact O-CB 3.49Å; Q916-T920 PolarHBondContact O-N 2.89Å; Q916-T920 PolarHBondContact O-OG1 3.37Å; F917-T920 PolarHBondContact O-N 2.76Å
921	N	87	Confident	90	Very high	82 Å²	82	47 Å²	47	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-88.6	-0.8	-178	-64	-75.7	0	0	0	113.6	F917 L923	F917-N921 WeakPolarHBondContact CD2-ND2 3.49Å; F917-N921 WeakPolarHBondContact CE2-ND2 3.42Å; F917-N921 WeakPolarHBondContact O-CB 3.32Å; F917-N921 PolarHBondContact O-N 3.44Å; F917-N921 PolarHBondContact O-ND2 2.94Å; N921-L923 VanDerWaalsContact C-N 3.33Å; N921-L923 HydrophobicContact CB-CD1 3.8Å; N921-L923 HydrophobicContact CB-CG 3.83Å; N921-L923 PolarHBondContact O-N 2.89Å
922	K	89.7	Confident	89.5	Confident	179 Å²	179	47 Å²	47	78%	0.778	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	37	-177.1	-51	175	-174.4	171.5	0	114.1	M918 V919	M918-K922 CarbonylContact O-C 3.6Å; M918-K922 WeakPolarHBondContact O-CA 3.3Å; M918-K922 PolarHBondContact O-N 3.38Å; V919-K922 PolarHBondContact O-N 2.86Å
923	L	90.1	Very high	89.1	Confident	41 Å²	41	49.7 Å²	49.7	22%	0.215	26%	0.261	C	S	.	.			trans	-95.2	137.1	-176.7	-61.1	172.2	0	0	0	112.2	F917 M918 N921 Q927 V928 L935	F917-L923 HydrophobicContact CE1-CD1 3.86Å; M918-L923 PolarHBondContact O-N 2.72Å; N921-L923 VanDerWaalsContact C-N 3.33Å; N921-L923 HydrophobicContact CB-CD1 3.8Å; N921-L923 HydrophobicContact CB-CG 3.83Å; N921-L923 PolarHBondContact O-N 2.89Å; L923-Q927 HydrophobicContact CD2-CB 4.4Å; L923-V928 HydrophobicContact CB-CG2 3.92Å; L923-V928 HydrophobicContact CD1-CG2 4.12Å; L923-L935 HydrophobicContact CD1-CD1 3.94Å; L923-L935 HydrophobicContact CD1-CD2 3.89Å
924	T	91.9	Very high	88.9	Confident	61 Å²	61	55.7 Å²	55.7	37%	0.374	29%	0.288	S	S	.	.			trans	-78.5	161.1	165.3	82.1	0	0	0	0	111.2	E926 Q927 V928	T924-E926 PolarHBondContact O-N 2.9Å; T924-E926 PolarHBondContact OG1-N 3.36Å; T924-E926 PolarHBondContact OG1-OE2 3.34Å; T924-Q927 PolarHBondContact O-N 3.31Å; T924-Q927 PolarHBondContact OG1-N 3.42Å; T924-V928 WeakPolarHBondContact O-CG2 3.5Å; T924-V928 PolarHBondContact O-N 3.35Å
925	A	89.2	Confident	88.5	Confident	24 Å²	24	57.4 Å²	57.4	20%	0.198	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-34.6	175.4	0	0	0	0	0	112.4	D893 L897 M918 V928 A929	D893-A925 HydrophobicContact CB-CB 4.35Å; L897-A925 HydrophobicContact CB-CB 4.29Å; L897-A925 HydrophobicContact CD2-CB 4.28Å; M918-A925 HydrophobicContact CE-CB 4.09Å; A925-V928 PolarHBondContact O-N 2.94Å; A925-A929 PolarHBondContact O-N 2.92Å
926	E	89.5	Confident	88.2	Confident	132 Å²	132	62.5 Å²	62.5	62%	0.617	33%	0.333	S	S	*	.	H	α-helix	trans	-68.8	-40.7	176.8	-55.1	129.1	148.2	0	0	111.5	T924 V928 A929 Q930	T924-E926 PolarHBondContact O-N 2.9Å; T924-E926 PolarHBondContact OG1-N 3.36Å; T924-E926 PolarHBondContact OG1-OE2 3.34Å; E926-V928 VanDerWaalsContact C-N 3.34Å; E926-V928 PolarHBondContact O-N 2.97Å; E926-A929 PolarHBondContact O-N 3.48Å; E926-Q930 WeakPolarHBondContact O-CB 3.34Å; E926-Q930 VanDerWaalsContact O-CG 3.25Å; E926-Q930 WeakPolarHBondContact O-CG 3.09Å; E926-Q930 PolarHBondContact O-N 2.77Å
927	Q	88.9	Confident	88.2	Confident	83 Å²	83	62.3 Å²	62.3	39%	0.388	33%	0.333	S	S	.	.	H	α-helix	trans	-63.9	-39	175.2	-70.3	173	-28.6	0	0	111.6	L923 T924 Q930 S931	L923-Q927 HydrophobicContact CD2-CB 4.4Å; T924-Q927 PolarHBondContact O-N 3.31Å; T924-Q927 PolarHBondContact OG1-N 3.42Å; Q927-Q930 PolarHBondContact O-N 2.66Å; Q927-S931 WeakPolarHBondContact O-CB 3.29Å; Q927-S931 PolarHBondContact O-N 3.37Å
928	V	89.5	Confident	88.1	Confident	1 Å²	1	62 Å²	62	1%	0.006	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-44.5	172.1	179	0	0	0	0	110.7	L897 M918 L923 T924 A925 E926 Q930 S931 A932 L935 L937	L897-V928 HydrophobicContact CD2-CB 3.89Å; L897-V928 HydrophobicContact CD2-CG1 3.77Å; M918-V928 HydrophobicContact CG-CG2 3.94Å; M918-V928 HydrophobicContact SD-CG2 4.47Å; L923-V928 HydrophobicContact CB-CG2 3.92Å; L923-V928 HydrophobicContact CD1-CG2 4.12Å; T924-V928 WeakPolarHBondContact O-CG2 3.5Å; T924-V928 PolarHBondContact O-N 3.35Å; A925-V928 PolarHBondContact O-N 2.94Å; E926-V928 VanDerWaalsContact C-N 3.34Å; E926-V928 PolarHBondContact O-N 2.97Å; V928-Q930 VanDerWaalsContact C-N 3.33Å; V928-Q930 PolarHBondContact O-N 2.91Å; V928-S931 PolarHBondContact O-N 2.94Å; V928-A932 WeakPolarHBondContact O-CA 3.4Å; V928-A932 VanDerWaalsContact O-CB 3.24Å; V928-A932 WeakPolarHBondContact O-CB 3.36Å; V928-A932 PolarHBondContact O-N 3.47Å; V928-L935 HydrophobicContact CB-CD1 4.44Å; V928-L935 HydrophobicContact CG1-CD1 4.35Å; V928-L935 HydrophobicContact CG2-CD1 4.33Å; V928-L937 HydrophobicContact CG1-CD2 4.2Å
929	A	88.7	Confident	87.8	Confident	36 Å²	36	66.3 Å²	66.3	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-65.1	-33.7	177.3	0	0	0	0	0	113.8	L897 A925 E926 L960 K963	L897-A929 HydrophobicContact CD1-CB 3.84Å; A925-A929 PolarHBondContact O-N 2.92Å; E926-A929 PolarHBondContact O-N 3.48Å; A929-L960 HydrophobicContact CB-CD1 4.49Å; A929-K963 PolarHBondContact O-NZ 3.18Å
930	Q	87.9	Confident	87.6	Confident	132 Å²	132	66.7 Å²	66.7	62%	0.617	36%	0.358	S	S	*	.	H	α-helix	trans	-73.3	-41.1	177.3	-74.2	172.9	9.6	0	0	111.9	E926 Q927 V928 K963	E926-Q930 WeakPolarHBondContact O-CB 3.34Å; E926-Q930 VanDerWaalsContact O-CG 3.25Å; E926-Q930 WeakPolarHBondContact O-CG 3.09Å; E926-Q930 PolarHBondContact O-N 2.77Å; Q927-Q930 PolarHBondContact O-N 2.66Å; V928-Q930 VanDerWaalsContact C-N 3.33Å; V928-Q930 PolarHBondContact O-N 2.91Å; Q930-K963 PolarHBondContact O-NZ 3.04Å
931	S	86.9	Confident	87.7	Confident	45 Å²	45	63 Å²	63	32%	0.315	34%	0.335	S	S	.	.	H	α-helix	trans	-110.8	15.6	-172.6	-51.4	0	0	0	0	114.9	Q927 V928 D933 Q934 L935	Q927-S931 WeakPolarHBondContact O-CB 3.29Å; Q927-S931 PolarHBondContact O-N 3.37Å; V928-S931 PolarHBondContact O-N 2.94Å; S931-D933 PolarHBondContact O-N 3.36Å; S931-D933 VanDerWaalsContact O-N 3.11Å; S931-Q934 PolarHBondContact O-N 3.49Å; S931-L935 WeakPolarHBondContact O-CG 3.45Å; S931-L935 PolarHBondContact O-N 3.4Å
932	A	82.5	Confident	87.8	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.008	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.7	-178.9	0	0	0	0	0	114.1	V928 Q934 L960 K963 I964	V928-A932 WeakPolarHBondContact O-CA 3.4Å; V928-A932 VanDerWaalsContact O-CB 3.24Å; V928-A932 WeakPolarHBondContact O-CB 3.36Å; V928-A932 PolarHBondContact O-N 3.47Å; A932-Q934 VanDerWaalsContact C-N 3.26Å; A932-Q934 PolarHBondContact O-N 3.4Å; A932-L960 HydrophobicContact CB-CD1 3.81Å; A932-K963 HydrophobicContact CB-CB 3.75Å; A932-K963 HydrophobicContact CB-CD 4.1Å; A932-I964 HydrophobicContact CB-CG1 3.9Å
933	D	84.9	Confident	87.7	Confident	56 Å²	56	55.8 Å²	55.8	30%	0.299	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22	174.2	53.7	-67.3	0	0	0	113.1	S931 K963 R966	S931-D933 PolarHBondContact O-N 3.36Å; S931-D933 VanDerWaalsContact O-N 3.11Å; D933-K963 HydrophobicContact CB-CB 4.26Å; D933-K963 HydrophobicContact CB-CG 4.3Å; D933-K963 IonicContact OD1-NZ 2.73Å; D933-R966 PolarHBondContact O-NE 3.07Å; D933-R966 PolarHBondContact O-NH2 2.88Å
934	Q	84.5	Confident	87.6	Confident	147 Å²	147	53.8 Å²	53.8	69%	0.687	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-22.8	-177	-71.8	159.8	52.5	0	0	113.4	S931 A932	S931-Q934 PolarHBondContact O-N 3.49Å; A932-Q934 VanDerWaalsContact C-N 3.26Å; A932-Q934 PolarHBondContact O-N 3.4Å
935	L	85	Confident	87.5	Confident	39 Å²	39	50.9 Å²	50.9	20%	0.204	27%	0.273	C	S	.	.			trans	-80	134.7	-177.1	-69	168	0	0	0	112.8	F917 L923 V928 S931 L937	F917-L935 HydrophobicContact CZ-CD2 4.4Å; L923-L935 HydrophobicContact CD1-CD1 3.94Å; L923-L935 HydrophobicContact CD1-CD2 3.89Å; V928-L935 HydrophobicContact CB-CD1 4.44Å; V928-L935 HydrophobicContact CG1-CD1 4.35Å; V928-L935 HydrophobicContact CG2-CD1 4.33Å; S931-L935 WeakPolarHBondContact O-CG 3.45Å; S931-L935 PolarHBondContact O-N 3.4Å; L935-L937 HydrophobicContact CB-CD2 4.04Å; L935-L937 HydrophobicContact CB-CG 4.32Å; L935-L937 PolarHBondContact O-N 3.47Å; L935-L937 VanDerWaalsContact O-N 3.1Å
936	S	87.3	Confident	87.5	Confident	106 Å²	106	50.5 Å²	50.5	74%	0.741	27%	0.268	S	S	*	.			trans	-80.9	80.8	167.8	-62.4	0	0	0	0	110.3	F917	F917-S936 WeakPolarHBondContact CE2-O 3.38Å
937	L	88.6	Confident	87.4	Confident	14 Å²	14	44.2 Å²	44.2	7%	0.073	24%	0.238	C	C	.	.			trans	-68	160	179.2	-62.9	-177.6	0	0	0	112.7	L914 F917 V928 L935 E939 V941 I964	L914-L937 HydrophobicContact CD1-CD2 4.13Å; F917-L937 HydrophobicContact CD1-CD2 4.08Å; F917-L937 HydrophobicContact CE1-CD2 3.64Å; F917-L937 HydrophobicContact CZ-CD2 4.12Å; V928-L937 HydrophobicContact CG1-CD2 4.2Å; L935-L937 HydrophobicContact CB-CD2 4.04Å; L935-L937 HydrophobicContact CB-CG 4.32Å; L935-L937 PolarHBondContact O-N 3.47Å; L935-L937 VanDerWaalsContact O-N 3.1Å; L937-E939 PolarHBondContact O-N 2.92Å; L937-V941 HydrophobicContact CD1-CG1 4.45Å; L937-I964 HydrophobicContact CD1-CD1 3.58Å; L937-I964 HydrophobicContact CD1-CG1 3.61Å; L937-I964 HydrophobicContact CD1-CG2 4.23Å
938	P	87.7	Confident	87.1	Confident	29 Å²	29	45 Å²	45	19%	0.188	24%	0.238	C	C	.	.			trans	-59	136.4	174.9	-22	32.9	0	0	0	112.2	D913 F917 S940 V941 I942	D913-P938 HydrophobicContact CB-CB 3.9Å; D913-P938 HydrophobicContact CB-CG 4.1Å; F917-P938 HydrophobicContact CB-CG 3.98Å; F917-P938 HydrophobicContact CD2-CG 4.35Å; F917-P938 HydrophobicContact CG-CG 4.3Å; P938-S940 PolarHBondContact O-N 2.87Å; P938-S940 VanDerWaalsContact O-N 3.1Å; P938-V941 HydrophobicContact CB-CG2 4.27Å; P938-V941 HydrophobicContact CG-CG2 4.41Å; P938-V941 WeakPolarHBondContact O-CB 3.46Å; P938-V941 PolarHBondContact O-N 2.81Å; P938-I942 PolarHBondContact O-N 3.33Å
939	E	87	Confident	86.8	Confident	95 Å²	95	45.9 Å²	45.9	44%	0.444	24%	0.243	S	C	.	.	H	α-helix	trans	-57	-32.7	-174.3	-163.6	64.8	-149.7	0	0	112.8	L937 V941 I942 E943 R968	L937-E939 PolarHBondContact O-N 2.92Å; E939-V941 VanDerWaalsContact C-N 3.26Å; E939-V941 PolarHBondContact O-N 2.79Å; E939-I942 CarbonylContact O-C 3.59Å; E939-I942 WeakPolarHBondContact O-CA 3.39Å; E939-I942 WeakPolarHBondContact O-CB 3.16Å; E939-I942 PolarHBondContact O-N 3.19Å; E939-E943 HydrophobicContact CG-CG 4.44Å; E939-E943 WeakPolarHBondContact O-CG 3.41Å; E939-E943 PolarHBondContact O-N 3.36Å; E939-R968 IonicContact OE1-CZ 3Å; E939-R968 VanDerWaalsContact OE1-CZ 3.28Å; E939-R968 IonicContact OE1-NH1 3.84Å; E939-R968 PolarHBondContact OE1-NH1 2.76Å; E939-R968 IonicContact OE1-NH2 2.75Å; E939-R968 PolarHBondContact OE1-NH2 2.99Å; E939-R968 IonicContact OE2-NH2 3.47Å; E939-R968 PolarHBondContact OE2-NH2 3.46Å; E939-R968 VanDerWaalsContact OE2-NH2 3.11Å
940	S	86	Confident	86.7	Confident	21 Å²	21	44.3 Å²	44.3	15%	0.147	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-29.6	174.6	53.4	0	0	0	0	114.3	D913 P938 F944	D913-S940 WeakPolarHBondContact OD2-CB 3.36Å; D913-S940 PolarHBondContact OD2-OG 3.17Å; P938-S940 PolarHBondContact O-N 2.87Å; P938-S940 VanDerWaalsContact O-N 3.1Å; S940-F944 WeakPolarHBondContact O-CB 3.48Å; S940-F944 PolarHBondContact O-N 3.48Å
941	V	89	Confident	86.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-75.3	-35.2	173.2	-176.6	0	0	0	0	110.2	L898 M910 L914 L937 P938 E939 M945 I964	L898-V941 HydrophobicContact CD2-CG1 3.95Å; M910-V941 HydrophobicContact CG-CB 4.36Å; M910-V941 HydrophobicContact CG-CG2 3.81Å; L914-V941 HydrophobicContact CB-CG2 3.98Å; L937-V941 HydrophobicContact CD1-CG1 4.45Å; P938-V941 HydrophobicContact CB-CG2 4.27Å; P938-V941 HydrophobicContact CG-CG2 4.41Å; P938-V941 WeakPolarHBondContact O-CB 3.46Å; P938-V941 PolarHBondContact O-N 2.81Å; E939-V941 VanDerWaalsContact C-N 3.26Å; E939-V941 PolarHBondContact O-N 2.79Å; V941-M945 VanDerWaalsContact O-CG 3.28Å; V941-M945 WeakPolarHBondContact O-CG 3.41Å; V941-M945 PolarHBondContact O-N 2.77Å; V941-I964 HydrophobicContact CG1-CD1 4.36Å
942	I	89.1	Confident	86.9	Confident	15 Å²	15	38 Å²	38	8%	0.077	20%	0.196	C	C	.	.	H	α-helix	trans	-74.1	-45.2	179.9	-46.8	176.9	0	0	0	110.3	P938 E939 F944 M945 Q946 I964 L965	P938-I942 PolarHBondContact O-N 3.33Å; E939-I942 CarbonylContact O-C 3.59Å; E939-I942 WeakPolarHBondContact O-CA 3.39Å; E939-I942 WeakPolarHBondContact O-CB 3.16Å; E939-I942 PolarHBondContact O-N 3.19Å; I942-F944 VanDerWaalsContact C-N 3.29Å; I942-F944 PolarHBondContact O-N 3.34Å; I942-M945 PolarHBondContact O-N 3.14Å; I942-M945 VanDerWaalsContact O-N 3.16Å; I942-Q946 HydrophobicContact CG2-CG 4.5Å; I942-Q946 WeakPolarHBondContact O-CB 3.47Å; I942-Q946 WeakPolarHBondContact O-CG 3.42Å; I942-Q946 PolarHBondContact O-N 2.95Å; I942-I964 HydrophobicContact CG1-CG2 4.12Å; I942-I964 HydrophobicContact CG2-CG2 4.38Å; I942-L965 HydrophobicContact CG2-CD2 4.01Å
943	E	86.9	Confident	87.1	Confident	93 Å²	93	40.4 Å²	40.4	44%	0.435	21%	0.212	S	C	.	.	H	α-helix	trans	-55.1	-43	172.9	-73	177.9	153.2	0	0	111.9	E939 Q946 G947 Y948	E939-E943 HydrophobicContact CG-CG 4.44Å; E939-E943 WeakPolarHBondContact O-CG 3.41Å; E939-E943 PolarHBondContact O-N 3.36Å; E943-Q946 PolarHBondContact O-N 3.44Å; E943-G947 PolarHBondContact O-N 3.2Å; E943-Y948 HydrophobicContact CB-CD2 4.46Å; E943-Y948 WeakPolarHBondContact O-CB 3.46Å; E943-Y948 PolarHBondContact O-N 2.66Å
944	F	88.7	Confident	87.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-52.5	173	169.4	-111.3	0	0	0	112.3	L677 L901 M910 S940 I942 Q946 G947 I949 P952 F956	L677-F944 HydrophobicContact CD1-CE2 4.01Å; L677-F944 HydrophobicContact CD2-CE2 4.13Å; L901-F944 HydrophobicContact CD1-CE1 3.89Å; L901-F944 HydrophobicContact CD1-CE2 4.22Å; L901-F944 HydrophobicContact CD1-CZ 3.54Å; L901-F944 HydrophobicContact CD2-CZ 4.03Å; L901-F944 HydrophobicContact CG-CZ 4.46Å; M910-F944 HydrophobicContact CE-CB 4.43Å; M910-F944 HydrophobicContact CE-CD1 3.96Å; M910-F944 HydrophobicContact CE-CD2 4.21Å; M910-F944 HydrophobicContact CE-CE1 4.24Å; M910-F944 HydrophobicContact CE-CE2 4.49Å; M910-F944 HydrophobicContact CE-CG 3.94Å; M910-F944 HydrophobicContact SD-CB 3.22Å; M910-F944 WeakPolarHBondContact SD-CB 3.49Å; M910-F944 HydrophobicContact SD-CD1 3.41Å; M910-F944 WeakPolarHBondContact SD-CD1 3.38Å; M910-F944 HydrophobicContact SD-CD2 4.06Å; M910-F944 HydrophobicContact SD-CE1 4.27Å; M910-F944 HydrophobicContact SD-CG 3.28Å; M910-F944 WeakPolarHBondContact SD-CG 3.27Å; S940-F944 WeakPolarHBondContact O-CB 3.48Å; S940-F944 PolarHBondContact O-N 3.48Å; I942-F944 VanDerWaalsContact C-N 3.29Å; I942-F944 PolarHBondContact O-N 3.34Å; F944-Q946 PolarHBondContact O-N 3.45Å; F944-G947 WeakPolarHBondContact O-CA 3.38Å; F944-G947 PolarHBondContact O-N 2.93Å; F944-I949 HydrophobicContact CB-CD1 3.87Å; F944-I949 HydrophobicContact CD2-CB 4.45Å; F944-I949 HydrophobicContact CD2-CD1 4.16Å; F944-I949 HydrophobicContact CG-CD1 4.47Å; F944-P952 HydrophobicContact CZ-CG 4.33Å; F944-F956 HydrophobicContact CD1-CD1 4.5Å; F944-F956 HydrophobicContact CD1-CE1 4.13Å; F944-F956 HydrophobicContact CD2-CE1 4.09Å; F944-F956 AromaticContact CE1-CD1 3.89Å; F944-F956 HydrophobicContact CE1-CD1 3.89Å; F944-F956 AromaticContact CE1-CE1 3.78Å; F944-F956 HydrophobicContact CE1-CE1 3.78Å; F944-F956 HydrophobicContact CE2-CD1 4.49Å; F944-F956 AromaticContact CE2-CE1 3.74Å; F944-F956 HydrophobicContact CE2-CE1 3.74Å; F944-F956 HydrophobicContact CG-CE1 4.28Å; F944-F956 AromaticContact CZ-CD1 3.88Å; F944-F956 HydrophobicContact CZ-CD1 3.88Å; F944-F956 AromaticContact CZ-CE1 3.57Å; F944-F956 HydrophobicContact CZ-CE1 3.57Å; F944-F956 WeakPolarHBondContact O-CE1 3.27Å; F944-F956 VanDerWaalsContact O-CZ 3.3Å; F944-F956 WeakPolarHBondContact O-CZ 3.19Å
945	M	89.9	Confident	87.6	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-33.6	179.6	-71.8	-67.4	173.8	0	0	112	L898 V941 I942 G947 F956 P957 L960 R961 I964 L965	L898-M945 HydrophobicContact CD2-CE 3.48Å; L898-M945 VanDerWaalsContact CD2-CE 3.48Å; V941-M945 VanDerWaalsContact O-CG 3.28Å; V941-M945 WeakPolarHBondContact O-CG 3.41Å; V941-M945 PolarHBondContact O-N 2.77Å; I942-M945 PolarHBondContact O-N 3.14Å; I942-M945 VanDerWaalsContact O-N 3.16Å; M945-G947 PolarHBondContact O-N 3.29Å; M945-F956 HydrophobicContact SD-CD1 3.89Å; M945-P957 HydrophobicContact CE-CG 4.08Å; M945-L960 HydrophobicContact CE-CD2 4.13Å; M945-L960 HydrophobicContact CE-CG 4.49Å; M945-R961 HydrophobicContact CB-CG 4.04Å; M945-R961 HydrophobicContact CG-CG 4.42Å; M945-R961 PolarHBondContact O-NE 3.09Å; M945-R961 PolarHBondContact O-NH2 3.3Å; M945-R961 HydrophobicContact SD-CB 3.65Å; M945-R961 HydrophobicContact SD-CG 3.73Å; M945-I964 HydrophobicContact CB-CG2 4.35Å; M945-I964 HydrophobicContact CE-CD1 4.1Å; M945-I964 HydrophobicContact CG-CB 4.48Å; M945-I964 HydrophobicContact CG-CD1 4.1Å; M945-I964 HydrophobicContact CG-CG2 4.19Å; M945-L965 HydrophobicContact CB-CD2 3.72Å; M945-L965 HydrophobicContact CB-CG 4.13Å
946	Q	88.6	Confident	87.9	Confident	16 Å²	16	37.4 Å²	37.4	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-68.2	-18.4	172.2	-73.5	-170.4	-109.6	0	0	112.8	I942 E943 F944 Y948 L965 R968 K969 C970 M971	I942-Q946 HydrophobicContact CG2-CG 4.5Å; I942-Q946 WeakPolarHBondContact O-CB 3.47Å; I942-Q946 WeakPolarHBondContact O-CG 3.42Å; I942-Q946 PolarHBondContact O-N 2.95Å; E943-Q946 PolarHBondContact O-N 3.44Å; F944-Q946 PolarHBondContact O-N 3.45Å; Q946-Y948 HydrophobicContact CB-CD2 3.75Å; Q946-Y948 HydrophobicContact CB-CE2 3.91Å; Q946-L965 HydrophobicContact CB-CD2 4.36Å; Q946-L965 HydrophobicContact CG-CD1 4.45Å; Q946-L965 HydrophobicContact CG-CD2 3.39Å; Q946-R968 HydrophobicContact CG-CB 4.37Å; Q946-K969 PolarHBondContact NE2-O 2.74Å; Q946-C970 CarbonylContact O-C 3.44Å; Q946-M971 WeakPolarHBondContact O-CB 3.41Å; Q946-M971 PolarHBondContact O-N 3.47Å
947	G	87	Confident	88	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.3	11.5	179.3	0	0	0	0	0	115.1	E943 F944 M945 I949 G950	E943-G947 PolarHBondContact O-N 3.2Å; F944-G947 WeakPolarHBondContact O-CA 3.38Å; F944-G947 PolarHBondContact O-N 2.93Å; M945-G947 PolarHBondContact O-N 3.29Å; G947-I949 PolarHBondContact O-N 2.92Å; G947-G950 PolarHBondContact O-N 2.9Å
948	Y	83.2	Confident	88.1	Confident	98 Å²	98	38 Å²	38	38%	0.384	20%	0.195	S	C	.	.	S	Bend	trans	-67.5	-18.5	-178	-78.5	-77	0	0	0	114.5	S650 E943 Q946 M971 P975	S650-Y948 PolarHBondContact OG-O 2.84Å; E943-Y948 HydrophobicContact CB-CD2 4.46Å; E943-Y948 WeakPolarHBondContact O-CB 3.46Å; E943-Y948 PolarHBondContact O-N 2.66Å; Q946-Y948 HydrophobicContact CB-CD2 3.75Å; Q946-Y948 HydrophobicContact CB-CE2 3.91Å; Y948-M971 HydrophobicContact CE1-CG 4.42Å; Y948-P975 HydrophobicContact CD1-CB 4.23Å; Y948-P975 HydrophobicContact CD1-CG 4.31Å
949	I	83.1	Confident	88.2	Confident	21 Å²	21	41 Å²	41	11%	0.108	22%	0.215	C	C	.	.	S	Bend	trans	-88.5	-28.2	176.5	-57.8	-179.4	0	0	0	111.4	S676 L677 N682 P906 T907 F944 G947	S676-I949 WeakPolarHBondContact OG-CG2 3.45Å; L677-I949 HydrophobicContact CD1-CG2 4.06Å; L677-I949 HydrophobicContact CG-CG2 4.49Å; N682-I949 PolarHBondContact ND2-O 2.72Å; P906-I949 HydrophobicContact CG-CD1 4.19Å; P906-I949 HydrophobicContact CG-CG1 4.42Å; P906-I949 HydrophobicContact CG-CG2 4.25Å; T907-I949 HydrophobicContact CG2-CD1 4.46Å; T907-I949 HydrophobicContact CG2-CG2 3.99Å; F944-I949 HydrophobicContact CB-CD1 3.87Å; F944-I949 HydrophobicContact CD2-CB 4.45Å; F944-I949 HydrophobicContact CD2-CD1 4.16Å; F944-I949 HydrophobicContact CG-CD1 4.47Å; G947-I949 PolarHBondContact O-N 2.92Å
950	G	86.1	Confident	88.3	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.021	20%	0.196	C	C	.	.			trans	133	-174.4	-167.9	0	0	0	0	0	111.1	G947	G947-G950 PolarHBondContact O-N 2.9Å
951	Q	88.9	Confident	88.5	Confident	38 Å²	38	37.8 Å²	37.8	18%	0.178	20%	0.196	C	C	.	.			trans	-100.6	132	176	-52.6	-60.4	-32.6	0	0	110.4	Y679 M971 E972	Y679-Q951 HydrophobicContact CD2-CB 3.87Å; Y679-Q951 HydrophobicContact CD2-CG 4.44Å; Y679-Q951 HydrophobicContact CE1-CB 4.47Å; Y679-Q951 HydrophobicContact CE1-CG 4.15Å; Y679-Q951 HydrophobicContact CE2-CB 3.63Å; Y679-Q951 HydrophobicContact CE2-CG 3.77Å; Y679-Q951 HydrophobicContact CG-CB 4.41Å; Q951-M971 PolarHBondContact NE2-O 2.96Å; Q951-E972 PolarHBondContact NE2-O 3.28Å
952	P	90.8	Very high	88.5	Confident	7 Å²	7	42 Å²	42	5%	0.045	22%	0.221	C	C	.	.			trans	-70.7	146.6	171.8	29.7	-35.2	0	0	0	111.2	L677 L901 F944 Y954 G955 F956	L677-P952 HydrophobicContact CD2-CB 4.3Å; L901-P952 HydrophobicContact CD2-CB 3.84Å; F944-P952 HydrophobicContact CZ-CG 4.33Å; P952-Y954 PolarHBondContact O-N 2.86Å; P952-G955 WeakPolarHBondContact CG-O 3.35Å; P952-G955 PolarHBondContact O-N 2.7Å; P952-F956 HydrophobicContact CG-CD1 4Å; P952-F956 HydrophobicContact CG-CE1 4.07Å; P952-F956 HydrophobicContact CG-CG 4.23Å; P952-F956 HydrophobicContact CG-CZ 4.36Å
953	P	87.7	Confident	88.6	Confident	52 Å²	52	44.1 Å²	44.1	34%	0.338	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.1	-172	-28.5	35.7	0	0	0	116.1	L677 Y719 I902	L677-P953 WeakPolarHBondContact O-CD 3.46Å; L677-P953 VanDerWaalsContact O-CG 3.26Å; L677-P953 WeakPolarHBondContact O-CG 3.06Å; Y719-P953 HydrophobicContact CE2-CB 4.01Å; Y719-P953 HydrophobicContact CE2-CG 4.21Å; I902-P953 HydrophobicContact CD1-CG 4.27Å
954	Y	89.8	Confident	88.6	Confident	112 Å²	112	40.3 Å²	40.3	44%	0.439	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	16.4	-178.9	-63.1	-67.9	0	0	0	113.5	K714 Y715 Y719 P952	K714-Y954 HydrophobicContact CB-CE2 4.2Å; K714-Y954 HydrophobicContact CD-CD2 4.11Å; K714-Y954 HydrophobicContact CG-CD2 4.12Å; K714-Y954 HydrophobicContact CG-CE2 4.16Å; K714-Y954 PolarHBondContact O-OH 3.1Å; Y715-Y954 HydrophobicContact CE1-CE2 4.22Å; Y719-Y954 WeakPolarHBondContact CD2-OH 2.92Å; P952-Y954 PolarHBondContact O-N 2.86Å
955	G	89.4	Confident	88.6	Confident	41 Å²	41	40.7 Å²	40.7	42%	0.423	22%	0.215	S	C	.	.			trans	73.5	172.9	-174.3	0	0	0	0	0	113.5	P952	P952-G955 WeakPolarHBondContact CG-O 3.35Å; P952-G955 PolarHBondContact O-N 2.7Å
956	F	90.6	Very high	88.4	Confident	26 Å²	26	47.5 Å²	47.5	11%	0.114	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-80.3	148.5	176.4	-66.1	-78.3	0	0	0	111.2	F944 M945 P952 E958 R961	F944-F956 HydrophobicContact CD1-CD1 4.5Å; F944-F956 HydrophobicContact CD1-CE1 4.13Å; F944-F956 HydrophobicContact CD2-CE1 4.09Å; F944-F956 AromaticContact CE1-CD1 3.89Å; F944-F956 HydrophobicContact CE1-CD1 3.89Å; F944-F956 AromaticContact CE1-CE1 3.78Å; F944-F956 HydrophobicContact CE1-CE1 3.78Å; F944-F956 HydrophobicContact CE2-CD1 4.49Å; F944-F956 AromaticContact CE2-CE1 3.74Å; F944-F956 HydrophobicContact CE2-CE1 3.74Å; F944-F956 HydrophobicContact CG-CE1 4.28Å; F944-F956 AromaticContact CZ-CD1 3.88Å; F944-F956 HydrophobicContact CZ-CD1 3.88Å; F944-F956 AromaticContact CZ-CE1 3.57Å; F944-F956 HydrophobicContact CZ-CE1 3.57Å; F944-F956 WeakPolarHBondContact O-CE1 3.27Å; F944-F956 VanDerWaalsContact O-CZ 3.3Å; F944-F956 WeakPolarHBondContact O-CZ 3.19Å; M945-F956 HydrophobicContact SD-CD1 3.89Å; P952-F956 HydrophobicContact CG-CD1 4Å; P952-F956 HydrophobicContact CG-CE1 4.07Å; P952-F956 HydrophobicContact CG-CG 4.23Å; P952-F956 HydrophobicContact CG-CZ 4.36Å; F956-E958 PolarHBondContact O-N 2.8Å; F956-R961 HydrophobicContact CB-CB 4.14Å; F956-R961 HydrophobicContact CB-CG 4.19Å; F956-R961 VanDerWaalsContact CD2-CZ 3.42Å; F956-R961 HydrophobicContact CG-CG 4.42Å
957	P	90.7	Very high	88.1	Confident	33 Å²	33	54.7 Å²	54.7	21%	0.214	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-68.8	118.7	173.3	28.6	-34.8	0	0	0	111.2	M945 L960 R961	M945-P957 HydrophobicContact CE-CG 4.08Å; P957-L960 HydrophobicContact CB-CB 4.38Å; P957-L960 HydrophobicContact CG-CB 4.34Å; P957-L960 HydrophobicContact CG-CD2 3.95Å; P957-L960 WeakPolarHBondContact O-CB 3.35Å; P957-L960 PolarHBondContact O-N 3.31Å; P957-R961 PolarHBondContact O-N 3.09Å
958	E	89.1	Confident	87.9	Confident	100 Å²	100	59.2 Å²	59.2	47%	0.467	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	147.9	168.2	-65.5	-64	177	0	0	110.4	F956 L960 R961 T962	F956-E958 PolarHBondContact O-N 2.8Å; E958-L960 VanDerWaalsContact C-N 3.3Å; E958-R961 WeakPolarHBondContact OE1-CB 3.37Å; E958-R961 WeakPolarHBondContact OE1-CD 3.15Å; E958-T962 VanDerWaalsContact CD-OG1 3.31Å; E958-T962 WeakPolarHBondContact OE2-CB 3.25Å; E958-T962 PolarHBondContact OE2-N 3.12Å; E958-T962 PolarHBondContact OE2-OG1 2.91Å
959	P	90.5	Very high	87.9	Confident	92 Å²	92	63.1 Å²	63.1	60%	0.597	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.8	12.4	3.1	35.7	-37.5	0	0	0	114.3	T962 K963	P959-T962 PolarHBondContact O-N 3.46Å; P959-K963 PolarHBondContact O-N 3.35Å; P959-K963 VanDerWaalsContact O-N 3.07Å
960	L	89.7	Confident	87.8	Confident	12 Å²	12	65 Å²	65	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-50	-176.3	179.6	68.2	0	0	0	111.7	L897 A929 A932 M945 P957 E958 T962 K963 I964	L897-L960 HydrophobicContact CD1-CD1 4.34Å; L897-L960 HydrophobicContact CD1-CD2 3.72Å; L897-L960 HydrophobicContact CG-CD2 3.88Å; L897-L960 VanDerWaalsContact O-CD2 3.25Å; L897-L960 WeakPolarHBondContact O-CD2 3.05Å; A929-L960 HydrophobicContact CB-CD1 4.49Å; A932-L960 HydrophobicContact CB-CD1 3.81Å; M945-L960 HydrophobicContact CE-CD2 4.13Å; M945-L960 HydrophobicContact CE-CG 4.49Å; P957-L960 HydrophobicContact CB-CB 4.38Å; P957-L960 HydrophobicContact CG-CB 4.34Å; P957-L960 HydrophobicContact CG-CD2 3.95Å; P957-L960 WeakPolarHBondContact O-CB 3.35Å; P957-L960 PolarHBondContact O-N 3.31Å; E958-L960 VanDerWaalsContact C-N 3.3Å; L960-T962 PolarHBondContact O-N 2.85Å; L960-K963 PolarHBondContact O-N 3.35Å; L960-I964 HydrophobicContact CD1-CD1 3.9Å; L960-I964 HydrophobicContact CD1-CG1 4.27Å; L960-I964 HydrophobicContact CD2-CD1 4.36Å; L960-I964 HydrophobicContact CG-CD1 3.78Å; L960-I964 HydrophobicContact CG-CG1 4.43Å; L960-I964 VanDerWaalsContact O-CG1 3.32Å; L960-I964 WeakPolarHBondContact O-CG1 3.37Å; L960-I964 PolarHBondContact O-N 3.19Å
961	R	90.2	Very high	87.4	Confident	35 Å²	35	67 Å²	67	13%	0.132	34%	0.339	C	S	.	.	H	α-helix	trans	-57.4	-50.3	178	-175.4	-152.5	-162.4	-176.4	4.2	111.2	M945 F956 P957 E958 K963 I964 L965	M945-R961 HydrophobicContact CB-CG 4.04Å; M945-R961 HydrophobicContact CG-CG 4.42Å; M945-R961 PolarHBondContact O-NE 3.09Å; M945-R961 PolarHBondContact O-NH2 3.3Å; M945-R961 HydrophobicContact SD-CB 3.65Å; M945-R961 HydrophobicContact SD-CG 3.73Å; F956-R961 HydrophobicContact CB-CB 4.14Å; F956-R961 HydrophobicContact CB-CG 4.19Å; F956-R961 VanDerWaalsContact CD2-CZ 3.42Å; F956-R961 HydrophobicContact CG-CG 4.42Å; P957-R961 PolarHBondContact O-N 3.09Å; E958-R961 WeakPolarHBondContact OE1-CB 3.37Å; E958-R961 WeakPolarHBondContact OE1-CD 3.15Å; R961-K963 VanDerWaalsContact C-N 3.3Å; R961-K963 PolarHBondContact O-N 2.6Å; R961-I964 PolarHBondContact O-N 2.95Å; R961-I964 VanDerWaalsContact O-N 3.14Å; R961-L965 HydrophobicContact CG-CD1 3.91Å; R961-L965 HydrophobicContact CG-CG 4.25Å; R961-L965 WeakPolarHBondContact O-CG 3.4Å; R961-L965 PolarHBondContact O-N 2.87Å
962	T	89	Confident	86.7	Confident	88 Å²	88	72.6 Å²	72.6	54%	0.54	37%	0.365	S	S	.	.	H	α-helix	trans	-52.4	-46.3	176.7	-60.6	0	0	0	0	112	E958 P959 L960 R966	E958-T962 VanDerWaalsContact CD-OG1 3.31Å; E958-T962 WeakPolarHBondContact OE2-CB 3.25Å; E958-T962 PolarHBondContact OE2-N 3.12Å; E958-T962 PolarHBondContact OE2-OG1 2.91Å; P959-T962 PolarHBondContact O-N 3.46Å; L960-T962 PolarHBondContact O-N 2.85Å; T962-R966 PolarHBondContact O-N 2.89Å; T962-R966 VanDerWaalsContact O-N 3.08Å
963	K	89.6	Confident	86.1	Confident	61 Å²	61	80 Å²	80	27%	0.265	40%	0.397	S	S	.	.	H	α-helix	trans	-63.3	-44	177.1	-75.1	-172.9	177.2	-172.3	0	113.7	A929 Q930 A932 D933 P959 L960 R961 R966	A929-K963 PolarHBondContact O-NZ 3.18Å; Q930-K963 PolarHBondContact O-NZ 3.04Å; A932-K963 HydrophobicContact CB-CB 3.75Å; A932-K963 HydrophobicContact CB-CD 4.1Å; D933-K963 HydrophobicContact CB-CB 4.26Å; D933-K963 HydrophobicContact CB-CG 4.3Å; D933-K963 IonicContact OD1-NZ 2.73Å; P959-K963 PolarHBondContact O-N 3.35Å; P959-K963 VanDerWaalsContact O-N 3.07Å; L960-K963 PolarHBondContact O-N 3.35Å; R961-K963 VanDerWaalsContact C-N 3.3Å; R961-K963 PolarHBondContact O-N 2.6Å; K963-R966 WeakPolarHBondContact O-CG 3.45Å
964	I	88.4	Confident	85.8	Confident	13 Å²	13	79.2 Å²	79.2	7%	0.067	39%	0.387	C	S	.	.	H	α-helix	trans	-66.2	-40.5	-178.1	-67.6	176.4	0	0	0	110.9	A932 L937 V941 I942 M945 L960 R961	A932-I964 HydrophobicContact CB-CG1 3.9Å; L937-I964 HydrophobicContact CD1-CD1 3.58Å; L937-I964 HydrophobicContact CD1-CG1 3.61Å; L937-I964 HydrophobicContact CD1-CG2 4.23Å; V941-I964 HydrophobicContact CG1-CD1 4.36Å; I942-I964 HydrophobicContact CG1-CG2 4.12Å; I942-I964 HydrophobicContact CG2-CG2 4.38Å; M945-I964 HydrophobicContact CB-CG2 4.35Å; M945-I964 HydrophobicContact CE-CD1 4.1Å; M945-I964 HydrophobicContact CG-CB 4.48Å; M945-I964 HydrophobicContact CG-CD1 4.1Å; M945-I964 HydrophobicContact CG-CG2 4.19Å; L960-I964 HydrophobicContact CD1-CD1 3.9Å; L960-I964 HydrophobicContact CD1-CG1 4.27Å; L960-I964 HydrophobicContact CD2-CD1 4.36Å; L960-I964 HydrophobicContact CG-CD1 3.78Å; L960-I964 HydrophobicContact CG-CG1 4.43Å; L960-I964 VanDerWaalsContact O-CG1 3.32Å; L960-I964 WeakPolarHBondContact O-CG1 3.37Å; L960-I964 PolarHBondContact O-N 3.19Å; R961-I964 PolarHBondContact O-N 2.95Å; R961-I964 VanDerWaalsContact O-N 3.14Å
965	L	87.6	Confident	85.1	Confident	7 Å²	7	74 Å²	74	4%	0.037	37%	0.367	C	S	.	.	H	α-helix	trans	-78.4	-35.3	-175.9	-64.2	-170.3	0	0	0	113.2	I942 M945 Q946 R961 D967 R968 C970	I942-L965 HydrophobicContact CG2-CD2 4.01Å; M945-L965 HydrophobicContact CB-CD2 3.72Å; M945-L965 HydrophobicContact CB-CG 4.13Å; Q946-L965 HydrophobicContact CB-CD2 4.36Å; Q946-L965 HydrophobicContact CG-CD1 4.45Å; Q946-L965 HydrophobicContact CG-CD2 3.39Å; R961-L965 HydrophobicContact CG-CD1 3.91Å; R961-L965 HydrophobicContact CG-CG 4.25Å; R961-L965 WeakPolarHBondContact O-CG 3.4Å; R961-L965 PolarHBondContact O-N 2.87Å; L965-D967 PolarHBondContact O-N 2.63Å; L965-D967 VanDerWaalsContact O-N 3.1Å; L965-R968 HydrophobicContact CB-CB 4.34Å; L965-R968 HydrophobicContact CD2-CB 4.46Å; L965-R968 VanDerWaalsContact O-CB 3.25Å; L965-R968 WeakPolarHBondContact O-CB 3.34Å; L965-R968 WeakPolarHBondContact O-CG 3.13Å; L965-R968 PolarHBondContact O-N 2.55Å; L965-C970 WeakPolarHBondContact CD1-SG 3.39Å
966	R	85.8	Confident	84.5	Confident	144 Å²	144	72.2 Å²	72.2	54%	0.543	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	-114.7	-168.6	-48.4	177.6	-172.9	129.5	1.9	108.6	D933 T962 K963	D933-R966 PolarHBondContact O-NE 3.07Å; D933-R966 PolarHBondContact O-NH2 2.88Å; T962-R966 PolarHBondContact O-N 2.89Å; T962-R966 VanDerWaalsContact O-N 3.08Å; K963-R966 WeakPolarHBondContact O-CG 3.45Å
967	D	83.4	Confident	84	Confident	166 Å²	166	74 Å²	74	89%	0.888	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	5.1	178.6	-44.6	-72.7	0	0	0	114.4	L965	L965-D967 PolarHBondContact O-N 2.63Å; L965-D967 VanDerWaalsContact O-N 3.1Å
968	R	83.1	Confident	83.5	Confident	96 Å²	96	77 Å²	77	36%	0.362	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-65.8	136	178.8	-73.5	179.3	169.2	-131.7	16.1	111.2	E939 Q946 L965 C970	E939-R968 IonicContact OE1-CZ 3Å; E939-R968 VanDerWaalsContact OE1-CZ 3.28Å; E939-R968 IonicContact OE1-NH1 3.84Å; E939-R968 PolarHBondContact OE1-NH1 2.76Å; E939-R968 IonicContact OE1-NH2 2.75Å; E939-R968 PolarHBondContact OE1-NH2 2.99Å; E939-R968 IonicContact OE2-NH2 3.47Å; E939-R968 PolarHBondContact OE2-NH2 3.46Å; E939-R968 VanDerWaalsContact OE2-NH2 3.11Å; Q946-R968 HydrophobicContact CG-CB 4.37Å; L965-R968 HydrophobicContact CB-CB 4.34Å; L965-R968 HydrophobicContact CD2-CB 4.46Å; L965-R968 VanDerWaalsContact O-CB 3.25Å; L965-R968 WeakPolarHBondContact O-CB 3.34Å; L965-R968 WeakPolarHBondContact O-CG 3.13Å; L965-R968 PolarHBondContact O-N 2.55Å; R968-C970 PolarHBondContact O-N 3.5Å
969	K	81.3	Confident	83.2	Confident	179 Å²	179	76 Å²	76	78%	0.778	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-61.9	132.6	179.2	-74.1	-173.6	175.8	-178.4	0	112.8	Q946	Q946-K969 PolarHBondContact NE2-O 2.74Å
970	C	82.9	Confident	83.1	Confident	62 Å²	62	76.4 Å²	76.4	42%	0.419	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-83.5	148.6	167.3	-62.6	0	0	0	0	112	Q946 L965 R968	Q946-C970 CarbonylContact O-C 3.44Å; L965-C970 WeakPolarHBondContact CD1-SG 3.39Å; R968-C970 PolarHBondContact O-N 3.5Å
971	M	77.3	Confident	83.1	Confident	42 Å²	42	80.6 Å²	80.6	21%	0.207	41%	0.413	C	S	.	.			trans	-113.8	111.5	169.9	-61.4	-72.6	-79.7	0	0	108.1	Q946 Y948 Q951 P975 V978	Q946-M971 WeakPolarHBondContact O-CB 3.41Å; Q946-M971 PolarHBondContact O-N 3.47Å; Y948-M971 HydrophobicContact CE1-CG 4.42Å; Q951-M971 PolarHBondContact NE2-O 2.96Å; M971-P975 HydrophobicContact CE-CB 3.98Å; M971-P975 HydrophobicContact CE-CG 4.48Å; M971-V978 HydrophobicContact CE-CB 4.4Å; M971-V978 HydrophobicContact CE-CG2 4.09Å
972	E	74.7	Confident	83.1	Confident	156 Å²	156	80.9 Å²	80.9	73%	0.729	42%	0.419	S	S	*	.			trans	-87.5	-30.4	176.3	-62.6	-176.8	157.5	0	0	112.1	Q951	Q951-E972 PolarHBondContact NE2-O 3.28Å
973	K	78	Confident	83.2	Confident	162 Å²	162	81 Å²	81	70%	0.704	42%	0.416	S	S	*	.	S	Bend	trans	-97.7	158	179.6	-62.3	-175.3	-179.6	-177.6	0	111.3	P975	K973-P975 WeakPolarHBondContact O-CD 3.31Å
974	R	81.1	Confident	83.4	Confident	36 Å²	36	80.1 Å²	80.1	14%	0.136	41%	0.413	C	S	.	.			trans	-48.5	117.4	174.7	-174.8	173.8	66.7	67.9	-3.4	111	T643 D653 P681 N682 G976 A977	T643-R974 HydrophobicContact CG2-CG 3.65Å; D653-R974 VanDerWaalsContact CG-NH2 3.26Å; D653-R974 IonicContact OD1-CZ 3.56Å; D653-R974 VanDerWaalsContact OD1-CZ 3.31Å; D653-R974 IonicContact OD1-NH1 3.66Å; D653-R974 PolarHBondContact OD1-NH1 2.66Å; D653-R974 IonicContact OD1-NH2 3.15Å; D653-R974 PolarHBondContact OD1-NH2 2.87Å; D653-R974 VanDerWaalsContact OD1-NH2 3.09Å; D653-R974 IonicContact OD2-CZ 3.5Å; D653-R974 IonicContact OD2-NH1 2.69Å; D653-R974 IonicContact OD2-NH2 3.6Å; D653-R974 PolarHBondContact OD2-NH2 2.75Å; P681-R974 VanDerWaalsContact O-CD 3.28Å; P681-R974 WeakPolarHBondContact O-CD 3.26Å; N682-R974 WeakPolarHBondContact OD1-CG 3.48Å; R974-G976 VanDerWaalsContact C-N 3.33Å; R974-G976 PolarHBondContact O-N 3.42Å; R974-A977 WeakPolarHBondContact O-CB 3.28Å; R974-A977 PolarHBondContact O-N 2.78Å; R974-A977 VanDerWaalsContact O-N 3.12Å
975	P	75.2	Confident	83.5	Confident	4 Å²	4	85.5 Å²	85.5	3%	0.026	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-59.9	-36.7	-168.9	-26.3	32.4	0	0	0	115	Y948 M971 K973 A977 V978	Y948-P975 HydrophobicContact CD1-CB 4.23Å; Y948-P975 HydrophobicContact CD1-CG 4.31Å; M971-P975 HydrophobicContact CE-CB 3.98Å; M971-P975 HydrophobicContact CE-CG 4.48Å; K973-P975 WeakPolarHBondContact O-CD 3.31Å; P975-A977 PolarHBondContact O-N 2.96Å; P975-V978 PolarHBondContact O-N 3.22Å
976	G	75.8	Confident	83.7	Confident	2 Å²	2	89.7 Å²	89.7	2%	0.021	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-57.9	-29.8	178.6	0	0	0	0	0	114.3	Y651 R974 V978 L979	Y651-G976 VanDerWaalsContact O-CA 3.27Å; Y651-G976 WeakPolarHBondContact O-CA 3.46Å; R974-G976 VanDerWaalsContact C-N 3.33Å; R974-G976 PolarHBondContact O-N 3.42Å; G976-V978 PolarHBondContact O-N 2.77Å; G976-L979 PolarHBondContact O-N 3.33Å
977	A	80.1	Confident	83.9	Confident	63 Å²	63	83.9 Å²	83.9	52%	0.521	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-71.7	-6.4	178.1	0	0	0	0	0	114.1	R974 P975	R974-A977 WeakPolarHBondContact O-CB 3.28Å; R974-A977 PolarHBondContact O-N 2.78Å; R974-A977 VanDerWaalsContact O-N 3.12Å; P975-A977 PolarHBondContact O-N 2.96Å
978	V	80.7	Confident	84.3	Confident	98 Å²	98	78.7 Å²	78.7	59%	0.594	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-108.1	-8.5	178.4	-162.6	0	0	0	0	111.4	M971 P975 G976	M971-V978 HydrophobicContact CE-CB 4.4Å; M971-V978 HydrophobicContact CE-CG2 4.09Å; P975-V978 PolarHBondContact O-N 3.22Å; G976-V978 PolarHBondContact O-N 2.77Å
979	L	83	Confident	84.7	Confident	78 Å²	78	77 Å²	77	41%	0.408	42%	0.415	S	S	.	.	S	Bend	trans	-87.7	140.1	-179.4	-59.5	176.8	0	0	0	111	P652 G976	P652-L979 HydrophobicContact CB-CB 4.28Å; P652-L979 HydrophobicContact CG-CB 3.77Å; P652-L979 HydrophobicContact CG-CD1 4.47Å; G976-L979 PolarHBondContact O-N 3.33Å
980	P	87.8	Confident	85.1	Confident	100 Å²	100	73.4 Å²	73.4	65%	0.649	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-67	145	175.8	29.1	-34.9	0	0	0	111	P652	P652-P980 WeakPolarHBondContact CB-O 3.28Å; P652-P980 WeakPolarHBondContact CG-O 3.34Å
981	P	89.8	Confident	85.3	Confident	101 Å²	101	70.7 Å²	70.7	66%	0.656	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-64.1	142.5	-178.8	27.1	-35	0	0	0	112
982	V	89.7	Confident	85.8	Confident	41 Å²	41	71.1 Å²	71.1	25%	0.248	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-73.9	129	177.2	179.6	0	0	0	0	110	P652 N654 V655 F984 L987	P652-V982 HydrophobicContact CG-CG2 4.08Å; N654-V982 PolarHBondContact ND2-N 2.91Å; N654-V982 PolarHBondContact ND2-O 3.01Å; N654-V982 PolarHBondContact OD1-N 3.25Å; N654-V982 VanDerWaalsContact OD1-N 3.08Å; V655-V982 HydrophobicContact CG2-CB 3.99Å; V655-V982 HydrophobicContact CG2-CG2 3.45Å; V655-V982 VanDerWaalsContact CG2-CG2 3.45Å; V982-F984 HydrophobicContact CB-CE1 4.15Å; V982-F984 HydrophobicContact CB-CZ 4.44Å; V982-F984 HydrophobicContact CG1-CD1 4.05Å; V982-F984 HydrophobicContact CG1-CE1 4.04Å; V982-F984 PolarHBondContact O-N 2.76Å; V982-L987 HydrophobicContact CG1-CD2 4.15Å
983	N	92.9	Very high	86.3	Confident	91 Å²	91	70.6 Å²	70.6	49%	0.487	39%	0.386	S	S	.	.			trans	-82.4	103.4	168.2	-177.9	-27.9	0	0	0	109.3	D985 L986 L987	N983-D985 PolarHBondContact OD1-N 2.73Å; N983-D985 VanDerWaalsContact OD1-N 3.14Å; N983-L986 HydrophobicContact CB-CB 4.16Å; N983-L986 PolarHBondContact OD1-N 2.98Å; N983-L987 WeakPolarHBondContact O-CB 3.4Å; N983-L987 PolarHBondContact O-N 3.23Å
984	F	92.6	Very high	86.5	Confident	42 Å²	42	68 Å²	68	18%	0.184	38%	0.375	C	S	.	.	H	α-helix	trans	-70.7	-32.1	-177.4	-59.8	-64.3	0	0	0	113.4	N654 V655 K658 V982 L987 K988 V1005 I1006 A1009	N654-F984 WeakPolarHBondContact ND2-CE2 3.35Å; V655-F984 HydrophobicContact CG2-CE1 4.41Å; V655-F984 HydrophobicContact CG2-CZ 4.32Å; K658-F984 HydrophobicContact CB-CE2 3.93Å; K658-F984 HydrophobicContact CB-CZ 3.76Å; K658-F984 HydrophobicContact CD-CE2 4.3Å; K658-F984 HydrophobicContact CG-CD2 4.44Å; K658-F984 HydrophobicContact CG-CE1 4.49Å; K658-F984 HydrophobicContact CG-CE2 4Å; K658-F984 HydrophobicContact CG-CZ 4.03Å; V982-F984 HydrophobicContact CB-CE1 4.15Å; V982-F984 HydrophobicContact CB-CZ 4.44Å; V982-F984 HydrophobicContact CG1-CD1 4.05Å; V982-F984 HydrophobicContact CG1-CE1 4.04Å; V982-F984 PolarHBondContact O-N 2.76Å; F984-L987 PolarHBondContact O-N 3.16Å; F984-K988 VanDerWaalsContact O-CB 3.3Å; F984-K988 WeakPolarHBondContact O-CB 3.3Å; F984-K988 PolarHBondContact O-N 2.98Å; F984-V1005 HydrophobicContact CB-CG1 4.49Å; F984-V1005 HydrophobicContact CD1-CG1 4.47Å; F984-I1006 HydrophobicContact CE1-CD1 3.8Å; F984-I1006 HydrophobicContact CZ-CD1 4.24Å; F984-A1009 HydrophobicContact CE1-CB 4.5Å
985	D	91.6	Very high	86.4	Confident	125 Å²	125	67.9 Å²	67.9	67%	0.668	38%	0.375	S	S	*	.	H	α-helix	trans	-69.7	-44.5	-178.9	-58.3	-56.6	0	0	0	110.9	N983 L987 K988 S989	N983-D985 PolarHBondContact OD1-N 2.73Å; N983-D985 VanDerWaalsContact OD1-N 3.14Å; D985-L987 VanDerWaalsContact C-N 3.32Å; D985-L987 PolarHBondContact O-N 3.18Å; D985-K988 WeakPolarHBondContact O-CB 3.41Å; D985-K988 PolarHBondContact O-N 3.26Å; D985-S989 PolarHBondContact O-N 3.11Å; D985-S989 PolarHBondContact O-OG 3.22Å
986	L	91.6	Very high	86.5	Confident	95 Å²	95	69.2 Å²	69.2	50%	0.497	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-42.8	172.6	178.5	62.4	0	0	0	111.5	N983 K988 S989 Q990	N983-L986 HydrophobicContact CB-CB 4.16Å; N983-L986 PolarHBondContact OD1-N 2.98Å; L986-K988 VanDerWaalsContact C-N 3.33Å; L986-S989 PolarHBondContact O-N 3.25Å; L986-Q990 WeakPolarHBondContact O-CG 3.38Å; L986-Q990 PolarHBondContact O-N 3.38Å
987	L	89.9	Confident	86.2	Confident	22 Å²	22	71.9 Å²	71.9	12%	0.115	41%	0.411	C	S	.	.	H	α-helix	trans	-66.3	-37	178.8	-167.8	65.1	0	0	0	111.8	V982 N983 F984 D985 L991 V1005 Y1008 A1009	V982-L987 HydrophobicContact CG1-CD2 4.15Å; N983-L987 WeakPolarHBondContact O-CB 3.4Å; N983-L987 PolarHBondContact O-N 3.23Å; F984-L987 PolarHBondContact O-N 3.16Å; D985-L987 VanDerWaalsContact C-N 3.32Å; D985-L987 PolarHBondContact O-N 3.18Å; L987-L991 WeakPolarHBondContact O-CG 3.33Å; L987-L991 PolarHBondContact O-N 3.02Å; L987-V1005 HydrophobicContact CB-CG1 4.13Å; L987-V1005 HydrophobicContact CD2-CG1 3.91Å; L987-V1005 HydrophobicContact CG-CG1 4.11Å; L987-Y1008 HydrophobicContact CD1-CD1 3.7Å; L987-Y1008 HydrophobicContact CD1-CE1 3.81Å; L987-Y1008 HydrophobicContact CD2-CD1 4.16Å; L987-Y1008 HydrophobicContact CG-CD1 4.2Å; L987-A1009 HydrophobicContact CD2-CB 4.02Å
988	K	91.8	Very high	85.8	Confident	58 Å²	58	78.9 Å²	78.9	25%	0.252	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-52.2	172.9	-177.5	170.4	176.1	170.1	0	110.8	F984 D985 L986 Q990 L991 E992 D1002 V1005	F984-K988 VanDerWaalsContact O-CB 3.3Å; F984-K988 WeakPolarHBondContact O-CB 3.3Å; F984-K988 PolarHBondContact O-N 2.98Å; D985-K988 WeakPolarHBondContact O-CB 3.41Å; D985-K988 PolarHBondContact O-N 3.26Å; L986-K988 VanDerWaalsContact C-N 3.33Å; K988-Q990 VanDerWaalsContact C-N 3.3Å; K988-Q990 PolarHBondContact O-N 2.92Å; K988-L991 PolarHBondContact O-N 3.27Å; K988-E992 WeakPolarHBondContact CE-OE1 3.37Å; K988-E992 HydrophobicContact CG-CG 4.14Å; K988-E992 IonicContact NZ-OE1 3.15Å; K988-E992 WeakPolarHBondContact O-CG 3.43Å; K988-E992 PolarHBondContact O-N 2.97Å; K988-D1002 WeakPolarHBondContact CE-OD1 3.06Å; K988-D1002 IonicContact NZ-OD1 3.68Å; K988-D1002 PolarHBondContact NZ-OD1 2.82Å; K988-V1005 HydrophobicContact CB-CG1 4.49Å; K988-V1005 HydrophobicContact CB-CG2 3.87Å; K988-V1005 HydrophobicContact CD-CG2 4.47Å; K988-V1005 HydrophobicContact CG-CG2 4.04Å
989	S	90.6	Very high	85.4	Confident	59 Å²	59	77.1 Å²	77.1	41%	0.413	42%	0.419	S	S	.	.	H	α-helix	trans	-54.2	-44.9	177.1	-59	0	0	0	0	112.3	D985 L986 L991 E992 D993	D985-S989 PolarHBondContact O-N 3.11Å; D985-S989 PolarHBondContact O-OG 3.22Å; L986-S989 PolarHBondContact O-N 3.25Å; S989-L991 VanDerWaalsContact C-N 3.31Å; S989-L991 PolarHBondContact O-N 3.15Å; S989-E992 PolarHBondContact O-N 3.36Å; S989-D993 WeakPolarHBondContact O-CB 3.43Å; S989-D993 PolarHBondContact O-N 2.93Å
990	Q	89.5	Confident	85.6	Confident	104 Å²	104	74.1 Å²	74.1	49%	0.486	40%	0.403	S	S	.	.	H	α-helix	trans	-61	-35.4	177.3	-71.9	172.4	0.7	0	0	113.6	L986 K988 K994	L986-Q990 WeakPolarHBondContact O-CG 3.38Å; L986-Q990 PolarHBondContact O-N 3.38Å; K988-Q990 VanDerWaalsContact C-N 3.3Å; K988-Q990 PolarHBondContact O-N 2.92Å; Q990-K994 WeakPolarHBondContact O-CB 3.46Å; Q990-K994 PolarHBondContact O-N 3.35Å
991	L	87.3	Confident	85.7	Confident	6 Å²	6	72.8 Å²	72.8	3%	0.031	39%	0.385	C	S	.	.	H	α-helix	trans	-76.9	-37.7	175.5	-69.9	171.1	0	0	0	112.2	L987 K988 S989 K994 Y995 I1000 V1005 Y1008 L1019	L987-L991 WeakPolarHBondContact O-CG 3.33Å; L987-L991 PolarHBondContact O-N 3.02Å; K988-L991 PolarHBondContact O-N 3.27Å; S989-L991 VanDerWaalsContact C-N 3.31Å; S989-L991 PolarHBondContact O-N 3.15Å; L991-K994 PolarHBondContact O-N 2.89Å; L991-Y995 HydrophobicContact CD2-CD2 4.26Å; L991-Y995 HydrophobicContact CD2-CE2 4.04Å; L991-Y995 WeakPolarHBondContact O-CD2 3.29Å; L991-Y995 PolarHBondContact O-N 2.8Å; L991-I1000 HydrophobicContact CB-CD1 4.1Å; L991-I1000 HydrophobicContact CB-CG1 4.03Å; L991-I1000 HydrophobicContact CB-CG2 4.17Å; L991-V1005 HydrophobicContact CD1-CG2 4.28Å; L991-Y1008 HydrophobicContact CD1-CD2 4.5Å; L991-Y1008 HydrophobicContact CD1-CG 4.18Å; L991-Y1008 HydrophobicContact CD2-CD2 3.75Å; L991-Y1008 HydrophobicContact CD2-CE2 4.05Å; L991-Y1008 HydrophobicContact CD2-CG 4.2Å; L991-L1019 HydrophobicContact CD2-CD1 4.27Å
992	E	88	Confident	85.5	Confident	51 Å²	51	71.7 Å²	71.7	24%	0.238	37%	0.374	C	S	.	.	H	α-helix	trans	-68.1	-36.6	176.9	-68	-171.6	168.2	0	0	112.1	K988 S989 G996 A997 I1000	K988-E992 WeakPolarHBondContact CE-OE1 3.37Å; K988-E992 HydrophobicContact CG-CG 4.14Å; K988-E992 IonicContact NZ-OE1 3.15Å; K988-E992 WeakPolarHBondContact O-CG 3.43Å; K988-E992 PolarHBondContact O-N 2.97Å; S989-E992 PolarHBondContact O-N 3.36Å; E992-G996 CarbonylContact O-C 3.4Å; E992-G996 VanDerWaalsContact O-C 3.28Å; E992-G996 WeakPolarHBondContact O-CA 3.13Å; E992-G996 PolarHBondContact O-N 2.7Å; E992-A997 HydrophobicContact CB-CB 4.1Å; E992-A997 HydrophobicContact CG-CB 4.19Å; E992-A997 PolarHBondContact O-N 3.48Å; E992-I1000 HydrophobicContact CG-CB 4.13Å; E992-I1000 HydrophobicContact CG-CG1 4.39Å; E992-I1000 HydrophobicContact CG-CG2 4.4Å
993	D	84.4	Confident	85.7	Confident	145 Å²	145	69.8 Å²	69.8	78%	0.775	36%	0.362	S	S	*	.	H	α-helix	trans	-64.2	-40.1	171.3	-76.5	-25.9	0	0	0	111.8	S989	S989-D993 WeakPolarHBondContact O-CB 3.43Å; S989-D993 PolarHBondContact O-N 2.93Å
994	K	82.5	Confident	85.6	Confident	107 Å²	107	65.5 Å²	65.5	47%	0.465	34%	0.339	S	S	.	.	H	α-helix	trans	-81.6	-32.5	-174.8	-170.1	167.3	-173.4	171.1	0	114.3	Q990 L991 E1016	Q990-K994 WeakPolarHBondContact O-CB 3.46Å; Q990-K994 PolarHBondContact O-N 3.35Å; L991-K994 PolarHBondContact O-N 2.89Å; K994-E1016 IonicContact NZ-OE1 2.73Å; K994-E1016 PolarHBondContact NZ-OE1 3.45Å
995	Y	80.4	Confident	85.7	Confident	34 Å²	34	63.8 Å²	63.8	13%	0.133	33%	0.333	C	S	.	.	H	α-helix	trans	-123.4	-1.3	-174.3	-59.1	-79.3	0	0	0	114.3	L991 T999 I1000 E1016 L1019	L991-Y995 HydrophobicContact CD2-CD2 4.26Å; L991-Y995 HydrophobicContact CD2-CE2 4.04Å; L991-Y995 WeakPolarHBondContact O-CD2 3.29Å; L991-Y995 PolarHBondContact O-N 2.8Å; Y995-T999 WeakPolarHBondContact O-CB 3.3Å; Y995-T999 PolarHBondContact O-OG1 3.1Å; Y995-I1000 HydrophobicContact CD2-CD1 4.17Å; Y995-I1000 HydrophobicContact CG-CD1 4.38Å; Y995-E1016 PolarHBondContact OH-O 2.87Å; Y995-L1019 HydrophobicContact CD1-CB 3.98Å; Y995-L1019 HydrophobicContact CD2-CB 4.39Å; Y995-L1019 HydrophobicContact CD2-CD1 3.91Å; Y995-L1019 HydrophobicContact CE1-CB 3.63Å; Y995-L1019 HydrophobicContact CE2-CB 4.08Å; Y995-L1019 HydrophobicContact CE2-CD1 3.77Å; Y995-L1019 HydrophobicContact CG-CB 4.34Å; Y995-L1019 HydrophobicContact CG-CD1 4.47Å
996	G	75.9	Confident	85.8	Confident	32 Å²	32	58 Å²	58	33%	0.33	30%	0.301	S	S	.	.			trans	85.1	132.2	-176.8	0	0	0	0	0	112.9	E992 K998 T999	E992-G996 CarbonylContact O-C 3.4Å; E992-G996 VanDerWaalsContact O-C 3.28Å; E992-G996 WeakPolarHBondContact O-CA 3.13Å; E992-G996 PolarHBondContact O-N 2.7Å; G996-K998 PolarHBondContact O-N 3.37Å; G996-K998 VanDerWaalsContact O-N 3.08Å; G996-T999 WeakPolarHBondContact O-CB 3.3Å; G996-T999 PolarHBondContact O-N 2.77Å; G996-T999 PolarHBondContact O-OG1 3.22Å
997	A	70.4	Confident	85.9	Confident	57 Å²	57	53.4 Å²	53.4	47%	0.471	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-53.2	-33	-176.3	0	0	0	0	0	115.2	E992 T999	E992-A997 HydrophobicContact CB-CB 4.1Å; E992-A997 HydrophobicContact CG-CB 4.19Å; E992-A997 PolarHBondContact O-N 3.48Å; A997-T999 PolarHBondContact O-N 3.08Å
998	K	70.6	Confident	86.1	Confident	210 Å²	210	54.9 Å²	54.9	91%	0.913	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-75.7	-0.8	177	-67.4	-177.4	178.9	176.3	0	114.4	G996	G996-K998 PolarHBondContact O-N 3.37Å; G996-K998 VanDerWaalsContact O-N 3.08Å
999	T	74.1	Confident	86.1	Confident	62 Å²	62	52.9 Å²	52.9	38%	0.38	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-103.4	-24.8	-176.7	-51.9	0	0	0	0	112.7	Y995 G996 A997 R1022	Y995-T999 WeakPolarHBondContact O-CB 3.3Å; Y995-T999 PolarHBondContact O-OG1 3.1Å; G996-T999 WeakPolarHBondContact O-CB 3.3Å; G996-T999 PolarHBondContact O-N 2.77Å; G996-T999 PolarHBondContact O-OG1 3.22Å; A997-T999 PolarHBondContact O-N 3.08Å; T999-R1022 PolarHBondContact O-NH2 2.9Å
1000	I	86.1	Confident	86	Confident	15 Å²	15	50.2 Å²	50.2	8%	0.077	26%	0.257	C	S	.	.			trans	-101.1	135.7	-170.6	-61	-58.5	0	0	0	110.4	L991 E992 Y995 D1004 V1005 L1019	L991-I1000 HydrophobicContact CB-CD1 4.1Å; L991-I1000 HydrophobicContact CB-CG1 4.03Å; L991-I1000 HydrophobicContact CB-CG2 4.17Å; E992-I1000 HydrophobicContact CG-CB 4.13Å; E992-I1000 HydrophobicContact CG-CG1 4.39Å; E992-I1000 HydrophobicContact CG-CG2 4.4Å; Y995-I1000 HydrophobicContact CD2-CD1 4.17Å; Y995-I1000 HydrophobicContact CG-CD1 4.38Å; I1000-D1004 HydrophobicContact CG2-CB 4.33Å; I1000-V1005 HydrophobicContact CG2-CG2 4.14Å; I1000-L1019 HydrophobicContact CD1-CD1 3.82Å; I1000-L1019 HydrophobicContact CD1-CD2 4.1Å
1001	R	89.3	Confident	86.1	Confident	71 Å²	71	45.9 Å²	45.9	27%	0.268	24%	0.237	S	C	.	.			trans	-107.5	159.1	169.7	-52.2	-164.6	-63.1	164.5	-0.8	110.3	S622 E625 V1003 D1004 V1005	S622-R1001 PolarHBondContact OG-NH2 3.3Å; E625-R1001 IonicContact OE1-CZ 3.92Å; E625-R1001 IonicContact OE1-NH1 2.88Å; E625-R1001 PolarHBondContact OE1-NH1 2.83Å; E625-R1001 IonicContact OE2-CZ 3.3Å; E625-R1001 VanDerWaalsContact OE2-CZ 3.28Å; E625-R1001 IonicContact OE2-NH1 2.63Å; E625-R1001 PolarHBondContact OE2-NH1 3.4Å; E625-R1001 IonicContact OE2-NH2 3.43Å; E625-R1001 PolarHBondContact OE2-NH2 2.84Å; R1001-V1003 HydrophobicContact CB-CG2 3.72Å; R1001-V1003 PolarHBondContact O-N 3.48Å; R1001-D1004 PolarHBondContact N-OD2 3.2Å; R1001-D1004 WeakPolarHBondContact O-CA 3.24Å; R1001-D1004 WeakPolarHBondContact O-CB 3.3Å; R1001-D1004 PolarHBondContact O-N 3.41Å; R1001-V1005 PolarHBondContact O-N 3.06Å
1002	D	87.6	Confident	86.3	Confident	79 Å²	79	48.5 Å²	48.5	42%	0.422	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-21.9	175.2	-56.7	-37.5	0	0	0	112.9	Q662 K988 I1006	Q662-D1002 PolarHBondContact NE2-O 3.16Å; Q662-D1002 VanDerWaalsContact NE2-O 3.12Å; K988-D1002 WeakPolarHBondContact CE-OD1 3.06Å; K988-D1002 IonicContact NZ-OD1 3.68Å; K988-D1002 PolarHBondContact NZ-OD1 2.82Å; D1002-I1006 PolarHBondContact O-N 3.49Å
1003	V	92.5	Very high	86.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-79.2	-23.6	171.4	-66.7	0	0	0	0	114.1	W621 Y666 R1001 V1005 I1006 S1007	W621-V1003 HydrophobicContact CB-CB 4.23Å; W621-V1003 HydrophobicContact CB-CG2 4Å; W621-V1003 HydrophobicContact CD2-CB 3.63Å; W621-V1003 HydrophobicContact CD2-CG1 3.61Å; W621-V1003 HydrophobicContact CD2-CG2 4.38Å; W621-V1003 HydrophobicContact CE3-CB 4.2Å; W621-V1003 HydrophobicContact CE3-CG1 3.63Å; W621-V1003 HydrophobicContact CG-CB 3.61Å; W621-V1003 HydrophobicContact CG-CG1 4.01Å; W621-V1003 HydrophobicContact CG-CG2 3.89Å; W621-V1003 HydrophobicContact CH2-CG1 4.49Å; W621-V1003 HydrophobicContact CZ2-CG1 4.47Å; W621-V1003 HydrophobicContact CZ3-CG1 4.08Å; W621-V1003 PolarHBondContact NE1-O 2.9Å; Y666-V1003 HydrophobicContact CD2-CG1 3.67Å; Y666-V1003 HydrophobicContact CE2-CG1 3.18Å; R1001-V1003 HydrophobicContact CB-CG2 3.72Å; R1001-V1003 PolarHBondContact O-N 3.48Å; V1003-V1005 VanDerWaalsContact C-N 3.3Å; V1003-I1006 WeakPolarHBondContact O-CG2 3.4Å; V1003-S1007 WeakPolarHBondContact O-CB 3.41Å; V1003-S1007 PolarHBondContact O-N 3.08Å; V1003-S1007 VanDerWaalsContact O-N 3.1Å; V1003-S1007 PolarHBondContact O-OG 3.45Å
1004	D	92.1	Very high	86.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-71.8	-31.7	170.5	-60.4	-46.1	0	0	0	109.4	I1000 R1001 S1007 Y1008 R1022	I1000-D1004 HydrophobicContact CG2-CB 4.33Å; R1001-D1004 PolarHBondContact N-OD2 3.2Å; R1001-D1004 WeakPolarHBondContact O-CA 3.24Å; R1001-D1004 WeakPolarHBondContact O-CB 3.3Å; R1001-D1004 PolarHBondContact O-N 3.41Å; D1004-S1007 PolarHBondContact O-N 2.97Å; D1004-Y1008 WeakPolarHBondContact O-CB 3.39Å; D1004-Y1008 PolarHBondContact O-N 3.14Å; D1004-R1022 IonicContact OD1-NH1 2.77Å; D1004-R1022 IonicContact OD2-NH1 2.72Å; D1004-R1022 IonicContact OD2-NH2 3.67Å
1005	V	93.5	Very high	87.2	Confident	7 Å²	7	41.1 Å²	41.1	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-48.1	174.7	-173.1	0	0	0	0	111.9	F984 L987 K988 L991 I1000 R1001 V1003 S1007 Y1008 A1009	F984-V1005 HydrophobicContact CB-CG1 4.49Å; F984-V1005 HydrophobicContact CD1-CG1 4.47Å; L987-V1005 HydrophobicContact CB-CG1 4.13Å; L987-V1005 HydrophobicContact CD2-CG1 3.91Å; L987-V1005 HydrophobicContact CG-CG1 4.11Å; K988-V1005 HydrophobicContact CB-CG1 4.49Å; K988-V1005 HydrophobicContact CB-CG2 3.87Å; K988-V1005 HydrophobicContact CD-CG2 4.47Å; K988-V1005 HydrophobicContact CG-CG2 4.04Å; L991-V1005 HydrophobicContact CD1-CG2 4.28Å; I1000-V1005 HydrophobicContact CG2-CG2 4.14Å; R1001-V1005 PolarHBondContact O-N 3.06Å; V1003-V1005 VanDerWaalsContact C-N 3.3Å; V1005-S1007 VanDerWaalsContact C-N 3.32Å; V1005-S1007 PolarHBondContact O-N 3.2Å; V1005-Y1008 PolarHBondContact O-N 3.32Å; V1005-A1009 PolarHBondContact O-N 3.19Å
1006	I	93.9	Very high	87.7	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	22%	0.222	C	C	.	.	H	α-helix	trans	-68.2	-33.6	176	-157.4	65.3	0	0	0	111.9	W621 V655 K658 F659 F984 D1002 V1003 Y1008 A1009 L1010	W621-I1006 HydrophobicContact CH2-CG2 4.25Å; W621-I1006 HydrophobicContact CZ2-CG2 3.46Å; W621-I1006 VanDerWaalsContact CZ2-CG2 3.46Å; V655-I1006 HydrophobicContact CG1-CD1 3.9Å; K658-I1006 HydrophobicContact CB-CD1 3.98Å; K658-I1006 HydrophobicContact CG-CD1 4.13Å; F659-I1006 HydrophobicContact CB-CG1 4.03Å; F659-I1006 HydrophobicContact CD2-CG1 4.31Å; F984-I1006 HydrophobicContact CE1-CD1 3.8Å; F984-I1006 HydrophobicContact CZ-CD1 4.24Å; D1002-I1006 PolarHBondContact O-N 3.49Å; V1003-I1006 WeakPolarHBondContact O-CG2 3.4Å; I1006-Y1008 VanDerWaalsContact C-N 3.31Å; I1006-Y1008 PolarHBondContact O-N 2.94Å; I1006-A1009 HydrophobicContact CD1-CB 4.42Å; I1006-A1009 PolarHBondContact O-N 3.09Å; I1006-L1010 HydrophobicContact CG1-CD1 4.47Å; I1006-L1010 WeakPolarHBondContact O-CG 3.49Å; I1006-L1010 PolarHBondContact O-N 3.34Å
1007	S	94.1	Very high	88.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-41	174.8	-57.7	0	0	0	0	110.7	F609 W621 V1003 D1004 V1005 L1010 Y1011 T1015	F609-S1007 WeakPolarHBondContact CZ-OG 3.47Å; W621-S1007 PolarHBondContact NE1-OG 2.75Å; V1003-S1007 WeakPolarHBondContact O-CB 3.41Å; V1003-S1007 PolarHBondContact O-N 3.08Å; V1003-S1007 VanDerWaalsContact O-N 3.1Å; V1003-S1007 PolarHBondContact O-OG 3.45Å; D1004-S1007 PolarHBondContact O-N 2.97Å; V1005-S1007 VanDerWaalsContact C-N 3.32Å; V1005-S1007 PolarHBondContact O-N 3.2Å; S1007-L1010 PolarHBondContact O-N 2.77Å; S1007-Y1011 CarbonylContact O-C 3.53Å; S1007-Y1011 WeakPolarHBondContact O-CA 3.44Å; S1007-Y1011 WeakPolarHBondContact O-CB 3.13Å; S1007-Y1011 PolarHBondContact O-N 2.83Å; S1007-T1015 PolarHBondContact O-OG1 3.37Å
1008	Y	93.3	Very high	89.6	Confident	52 Å²	52	41.4 Å²	41.4	20%	0.204	20%	0.199	C	C	.	.	H	α-helix	trans	-67.5	-41.6	173.4	-168	-82.7	0	0	0	111.9	L987 L991 D1004 V1005 I1006 L1010 Y1011 P1012 T1015 E1016	L987-Y1008 HydrophobicContact CD1-CD1 3.7Å; L987-Y1008 HydrophobicContact CD1-CE1 3.81Å; L987-Y1008 HydrophobicContact CD2-CD1 4.16Å; L987-Y1008 HydrophobicContact CG-CD1 4.2Å; L991-Y1008 HydrophobicContact CD1-CD2 4.5Å; L991-Y1008 HydrophobicContact CD1-CG 4.18Å; L991-Y1008 HydrophobicContact CD2-CD2 3.75Å; L991-Y1008 HydrophobicContact CD2-CE2 4.05Å; L991-Y1008 HydrophobicContact CD2-CG 4.2Å; D1004-Y1008 WeakPolarHBondContact O-CB 3.39Å; D1004-Y1008 PolarHBondContact O-N 3.14Å; V1005-Y1008 PolarHBondContact O-N 3.32Å; I1006-Y1008 VanDerWaalsContact C-N 3.31Å; I1006-Y1008 PolarHBondContact O-N 2.94Å; Y1008-L1010 VanDerWaalsContact C-N 3.27Å; Y1008-L1010 PolarHBondContact O-N 3.4Å; Y1008-Y1011 CarbonylContact O-C 3.5Å; Y1008-Y1011 PolarHBondContact O-N 2.97Å; Y1008-P1012 HydrophobicContact CD1-CB 4.11Å; Y1008-P1012 WeakPolarHBondContact CD2-O 3.37Å; Y1008-P1012 HydrophobicContact CE1-CB 3.74Å; Y1008-P1012 HydrophobicContact CE1-CG 4.44Å; Y1008-P1012 HydrophobicContact CE2-CB 4.17Å; Y1008-P1012 WeakPolarHBondContact CE2-O 3.46Å; Y1008-P1012 HydrophobicContact CG-CB 4.5Å; Y1008-P1012 WeakPolarHBondContact O-CA 3.44Å; Y1008-P1012 WeakPolarHBondContact O-CD 3.27Å; Y1008-P1012 WeakPolarHBondContact O-CG 3.44Å; Y1008-T1015 HydrophobicContact CD2-CG2 4.32Å; Y1008-T1015 PolarHBondContact N-OG1 3.06Å; Y1008-E1016 HydrophobicContact CE2-CB 4.2Å
1009	A	91.8	Very high	90.6	Very high	16 Å²	16	31.5 Å²	31.5	13%	0.132	16%	0.156	C	C	.	.	H	α-helix	trans	-60	-35.4	177.1	0	0	0	0	0	113	V655 F984 L987 V1005 I1006	V655-A1009 HydrophobicContact CG1-CB 4.27Å; F984-A1009 HydrophobicContact CE1-CB 4.5Å; L987-A1009 HydrophobicContact CD2-CB 4.02Å; V1005-A1009 PolarHBondContact O-N 3.19Å; I1006-A1009 HydrophobicContact CD1-CB 4.42Å; I1006-A1009 PolarHBondContact O-N 3.09Å
1010	L	89.9	Confident	91.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-81.8	-39.7	175.3	-68.3	168.4	0	0	0	112.8	A645 V646 Y651 V655 F659 I1006 S1007 Y1008	A645-L1010 HydrophobicContact CB-CD2 4.48Å; V646-L1010 HydrophobicContact CG2-CD1 3.86Å; Y651-L1010 HydrophobicContact CD1-CD2 4.27Å; Y651-L1010 HydrophobicContact CD2-CD2 3.71Å; Y651-L1010 HydrophobicContact CE1-CD2 4.16Å; Y651-L1010 WeakPolarHBondContact CE1-O 3.34Å; Y651-L1010 HydrophobicContact CE2-CD2 3.6Å; Y651-L1010 HydrophobicContact CG-CD2 4.08Å; Y651-L1010 PolarHBondContact OH-O 2.71Å; V655-L1010 HydrophobicContact CG1-CD2 3.81Å; V655-L1010 HydrophobicContact CG1-CG 4.17Å; F659-L1010 HydrophobicContact CD2-CD1 3.49Å; F659-L1010 VanDerWaalsContact CD2-CD1 3.49Å; F659-L1010 HydrophobicContact CE2-CD1 3.94Å; F659-L1010 HydrophobicContact CG-CD1 4.24Å; I1006-L1010 HydrophobicContact CG1-CD1 4.47Å; I1006-L1010 WeakPolarHBondContact O-CG 3.49Å; I1006-L1010 PolarHBondContact O-N 3.34Å; S1007-L1010 PolarHBondContact O-N 2.77Å; Y1008-L1010 VanDerWaalsContact C-N 3.27Å; Y1008-L1010 PolarHBondContact O-N 3.4Å
1011	Y	90.5	Very high	91.7	Very high	13 Å²	13	30.9 Å²	30.9	5%	0.051	16%	0.155	C	C	.	.			trans	-139.6	73	-171.2	-73.2	-82.1	0	0	0	111.8	F609 D610 V646 G647 Y648 S1007 Y1008 K1013 V1014 T1015	F609-Y1011 AromaticContact CD1-CD2 3.93Å; F609-Y1011 HydrophobicContact CD1-CD2 3.93Å; F609-Y1011 AromaticContact CD1-CE2 3.89Å; F609-Y1011 HydrophobicContact CD1-CE2 3.89Å; F609-Y1011 HydrophobicContact CE1-CD2 4.05Å; F609-Y1011 HydrophobicContact CE1-CE2 4.42Å; D610-Y1011 HydrophobicContact CB-CE1 3.91Å; D610-Y1011 HydrophobicContact CB-CE2 4.47Å; D610-Y1011 WeakPolarHBondContact OD1-CD1 3.28Å; D610-Y1011 WeakPolarHBondContact OD1-CE1 3.43Å; V646-Y1011 WeakPolarHBondContact O-CE2 3.34Å; V646-Y1011 PolarHBondContact O-OH 3.24Å; G647-Y1011 WeakPolarHBondContact CA-OH 3.48Å; Y648-Y1011 AromaticContact CD2-CE1 3.63Å; Y648-Y1011 HydrophobicContact CD2-CE1 3.63Å; Y648-Y1011 AromaticContact CE2-CE1 3.74Å; Y648-Y1011 HydrophobicContact CE2-CE1 3.74Å; Y648-Y1011 WeakPolarHBondContact CE2-OH 3.4Å; S1007-Y1011 CarbonylContact O-C 3.53Å; S1007-Y1011 WeakPolarHBondContact O-CA 3.44Å; S1007-Y1011 WeakPolarHBondContact O-CB 3.13Å; S1007-Y1011 PolarHBondContact O-N 2.83Å; Y1008-Y1011 CarbonylContact O-C 3.5Å; Y1008-Y1011 PolarHBondContact O-N 2.97Å; Y1011-K1013 PolarHBondContact O-N 2.77Å; Y1011-V1014 HydrophobicContact CD1-CG2 3.83Å; Y1011-V1014 HydrophobicContact CG-CG2 4.36Å; Y1011-V1014 PolarHBondContact O-N 3.15Å; Y1011-T1015 WeakPolarHBondContact O-CB 3.42Å; Y1011-T1015 PolarHBondContact O-N 3.26Å; Y1011-T1015 PolarHBondContact O-OG1 3.42Å
1012	P	90.6	Very high	91.7	Very high	60 Å²	60	30.3 Å²	30.3	39%	0.39	15%	0.153	S	C	.	.	H	α-helix	trans	-57	-59.1	-171.1	-24.8	31.2	0	0	0	112.7	Y1008 V1014 T1015 E1016	Y1008-P1012 HydrophobicContact CD1-CB 4.11Å; Y1008-P1012 WeakPolarHBondContact CD2-O 3.37Å; Y1008-P1012 HydrophobicContact CE1-CB 3.74Å; Y1008-P1012 HydrophobicContact CE1-CG 4.44Å; Y1008-P1012 HydrophobicContact CE2-CB 4.17Å; Y1008-P1012 WeakPolarHBondContact CE2-O 3.46Å; Y1008-P1012 HydrophobicContact CG-CB 4.5Å; Y1008-P1012 WeakPolarHBondContact O-CA 3.44Å; Y1008-P1012 WeakPolarHBondContact O-CD 3.27Å; Y1008-P1012 WeakPolarHBondContact O-CG 3.44Å; P1012-V1014 PolarHBondContact O-N 3.39Å; P1012-T1015 PolarHBondContact O-N 2.72Å; P1012-E1016 WeakPolarHBondContact O-CB 3.33Å; P1012-E1016 PolarHBondContact O-N 3.22Å
1013	K	90.1	Very high	91.6	Very high	143 Å²	143	30.8 Å²	30.8	62%	0.622	16%	0.156	S	C	*	.	H	α-helix	trans	-62.9	-37	-178.3	-179.1	172.2	177.4	175	0	113.2	Y1011 E1017	Y1011-K1013 PolarHBondContact O-N 2.77Å; K1013-E1017 WeakPolarHBondContact CE-OE1 3.35Å; K1013-E1017 WeakPolarHBondContact O-CB 3.38Å; K1013-E1017 WeakPolarHBondContact O-CG 3.49Å; K1013-E1017 PolarHBondContact O-N 3.2Å
1014	V	91.4	Very high	91.3	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-72.1	-39.6	-177.8	-163.2	0	0	0	0	110.7	L613 R614 Y1011 P1012 F1018	L613-V1014 HydrophobicContact CB-CG1 3.86Å; R614-V1014 HydrophobicContact CB-CG1 3.61Å; R614-V1014 HydrophobicContact CG-CG1 4.15Å; R614-V1014 VanDerWaalsContact NH2-CG2 3.28Å; Y1011-V1014 HydrophobicContact CD1-CG2 3.83Å; Y1011-V1014 HydrophobicContact CG-CG2 4.36Å; Y1011-V1014 PolarHBondContact O-N 3.15Å; P1012-V1014 PolarHBondContact O-N 3.39Å; V1014-F1018 VanDerWaalsContact O-CB 3.27Å; V1014-F1018 WeakPolarHBondContact O-CB 3.37Å; V1014-F1018 PolarHBondContact O-N 3.12Å
1015	T	92.5	Very high	91.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.5	-39.2	176.2	-55.6	0	0	0	0	110.7	S1007 Y1008 Y1011 P1012 F1018 L1019	S1007-T1015 PolarHBondContact O-OG1 3.37Å; Y1008-T1015 HydrophobicContact CD2-CG2 4.32Å; Y1008-T1015 PolarHBondContact N-OG1 3.06Å; Y1011-T1015 WeakPolarHBondContact O-CB 3.42Å; Y1011-T1015 PolarHBondContact O-N 3.26Å; Y1011-T1015 PolarHBondContact O-OG1 3.42Å; P1012-T1015 PolarHBondContact O-N 2.72Å; T1015-F1018 PolarHBondContact O-N 2.82Å; T1015-L1019 HydrophobicContact CG2-CD1 3.97Å; T1015-L1019 HydrophobicContact CG2-CG 4.28Å; T1015-L1019 WeakPolarHBondContact O-CB 3.37Å; T1015-L1019 VanDerWaalsContact O-CG 3.24Å; T1015-L1019 WeakPolarHBondContact O-CG 3.28Å; T1015-L1019 PolarHBondContact O-N 3.4Å
1016	E	92.2	Very high	91.1	Very high	60 Å²	60	36.9 Å²	36.9	28%	0.28	19%	0.186	S	C	.	.	H	α-helix	trans	-59.5	-49.5	171.2	170.2	156.7	-125.3	0	0	112.9	K994 Y995 Y1008 P1012 F1018 L1019 A1020	K994-E1016 IonicContact NZ-OE1 2.73Å; K994-E1016 PolarHBondContact NZ-OE1 3.45Å; Y995-E1016 PolarHBondContact OH-O 2.87Å; Y1008-E1016 HydrophobicContact CE2-CB 4.2Å; P1012-E1016 WeakPolarHBondContact O-CB 3.33Å; P1012-E1016 PolarHBondContact O-N 3.22Å; E1016-F1018 VanDerWaalsContact C-N 3.34Å; E1016-F1018 PolarHBondContact O-N 3.23Å; E1016-L1019 PolarHBondContact O-N 3.09Å; E1016-A1020 WeakPolarHBondContact O-CB 3.22Å; E1016-A1020 PolarHBondContact O-N 3.37Å
1017	E	92.5	Very high	91	Very high	64 Å²	64	38 Å²	38	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-59.2	-43.2	173.7	-77.1	177.9	-151.7	0	0	111.8	R617 K1013 F1021	R617-E1017 IonicContact NH1-OE2 3.29Å; R617-E1017 IonicContact NH2-OE2 3.27Å; R617-E1017 PolarHBondContact NH2-OE2 3.35Å; K1013-E1017 WeakPolarHBondContact CE-OE1 3.35Å; K1013-E1017 WeakPolarHBondContact O-CB 3.38Å; K1013-E1017 WeakPolarHBondContact O-CG 3.49Å; K1013-E1017 PolarHBondContact O-N 3.2Å; E1017-F1021 WeakPolarHBondContact O-CB 3.16Å; E1017-F1021 PolarHBondContact O-N 3.2Å
1018	F	93.8	Very high	91	Very high	4 Å²	4	38 Å²	38	2%	0.018	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-45.3	177.9	166.1	-106.2	0	0	0	112.5	L613 R617 C619 V1014 T1015 E1016 F1021 R1022	L613-F1018 HydrophobicContact CB-CB 4.43Å; L613-F1018 HydrophobicContact CD2-CB 4.26Å; L613-F1018 HydrophobicContact CD2-CD1 3.6Å; L613-F1018 HydrophobicContact CD2-CD2 4.16Å; L613-F1018 HydrophobicContact CD2-CE1 3.91Å; L613-F1018 HydrophobicContact CD2-CE2 4.45Å; L613-F1018 HydrophobicContact CD2-CG 3.72Å; L613-F1018 HydrophobicContact CD2-CZ 4.33Å; R617-F1018 WeakPolarHBondContact O-CE2 3.39Å; C619-F1018 HydrophobicContact CB-CE1 4.44Å; C619-F1018 HydrophobicContact CB-CZ 3.95Å; V1014-F1018 VanDerWaalsContact O-CB 3.27Å; V1014-F1018 WeakPolarHBondContact O-CB 3.37Å; V1014-F1018 PolarHBondContact O-N 3.12Å; T1015-F1018 PolarHBondContact O-N 2.82Å; E1016-F1018 VanDerWaalsContact C-N 3.34Å; E1016-F1018 PolarHBondContact O-N 3.23Å; F1018-F1021 PolarHBondContact O-N 3.32Å; F1018-R1022 VanDerWaalsContact O-CB 3.28Å; F1018-R1022 WeakPolarHBondContact O-CB 3.29Å; F1018-R1022 PolarHBondContact O-N 3.03Å
1019	L	91.5	Very high	90.9	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-40.8	179.2	-72	172.3	0	0	0	111.4	L991 Y995 I1000 T1015 E1016 R1022 N1023	L991-L1019 HydrophobicContact CD2-CD1 4.27Å; Y995-L1019 HydrophobicContact CD1-CB 3.98Å; Y995-L1019 HydrophobicContact CD2-CB 4.39Å; Y995-L1019 HydrophobicContact CD2-CD1 3.91Å; Y995-L1019 HydrophobicContact CE1-CB 3.63Å; Y995-L1019 HydrophobicContact CE2-CB 4.08Å; Y995-L1019 HydrophobicContact CE2-CD1 3.77Å; Y995-L1019 HydrophobicContact CG-CB 4.34Å; Y995-L1019 HydrophobicContact CG-CD1 4.47Å; I1000-L1019 HydrophobicContact CD1-CD1 3.82Å; I1000-L1019 HydrophobicContact CD1-CD2 4.1Å; T1015-L1019 HydrophobicContact CG2-CD1 3.97Å; T1015-L1019 HydrophobicContact CG2-CG 4.28Å; T1015-L1019 WeakPolarHBondContact O-CB 3.37Å; T1015-L1019 VanDerWaalsContact O-CG 3.24Å; T1015-L1019 WeakPolarHBondContact O-CG 3.28Å; T1015-L1019 PolarHBondContact O-N 3.4Å; E1016-L1019 PolarHBondContact O-N 3.09Å; L1019-R1022 VanDerWaalsContact CD2-NH2 3.33Å; L1019-R1022 PolarHBondContact O-N 2.68Å; L1019-N1023 PolarHBondContact O-N 2.93Å
1020	A	90.3	Very high	91	Very high	41 Å²	41	38.4 Å²	38.4	34%	0.339	20%	0.195	S	C	.	.	H	α-helix	trans	-61.4	-47.8	172	0	0	0	0	0	111.4	E1016 R1022 N1023 I1024	E1016-A1020 WeakPolarHBondContact O-CB 3.22Å; E1016-A1020 PolarHBondContact O-N 3.37Å; A1020-R1022 PolarHBondContact O-N 2.87Å; A1020-N1023 WeakPolarHBondContact O-CB 3.46Å; A1020-N1023 PolarHBondContact O-N 3.2Å; A1020-N1023 VanDerWaalsContact O-N 3.13Å; A1020-I1024 PolarHBondContact O-N 3.19Å
1021	F	92.1	Very high	91.2	Very high	22 Å²	22	38.2 Å²	38.2	10%	0.096	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-47.3	176.5	-173.4	-78.1	0	0	0	112	F500 M510 R617 E1017 F1018 N1023 I1024 Y1025 V1028	F500-F1021 AromaticContact CD2-CZ 3.93Å; F500-F1021 HydrophobicContact CD2-CZ 3.93Å; F500-F1021 AromaticContact CE2-CZ 3.88Å; F500-F1021 HydrophobicContact CE2-CZ 3.88Å; M510-F1021 HydrophobicContact SD-CE2 3.64Å; M510-F1021 HydrophobicContact SD-CZ 3.82Å; R617-F1021 HydrophobicContact CB-CD1 3.71Å; R617-F1021 HydrophobicContact CB-CE1 3.6Å; R617-F1021 HydrophobicContact CB-CG 4.34Å; R617-F1021 HydrophobicContact CB-CZ 4.12Å; R617-F1021 HydrophobicContact CG-CD1 3.88Å; R617-F1021 HydrophobicContact CG-CD2 4.07Å; R617-F1021 HydrophobicContact CG-CE1 3.8Å; R617-F1021 HydrophobicContact CG-CE2 3.96Å; R617-F1021 HydrophobicContact CG-CG 4.04Å; R617-F1021 HydrophobicContact CG-CZ 3.84Å; E1017-F1021 WeakPolarHBondContact O-CB 3.16Å; E1017-F1021 PolarHBondContact O-N 3.2Å; F1018-F1021 PolarHBondContact O-N 3.32Å; F1021-N1023 PolarHBondContact O-N 2.78Å; F1021-I1024 PolarHBondContact O-N 3.37Å; F1021-I1024 VanDerWaalsContact O-N 3.1Å; F1021-Y1025 AromaticContact CD1-CD2 3.92Å; F1021-Y1025 HydrophobicContact CD1-CD2 3.92Å; F1021-Y1025 AromaticContact CD2-CD2 3.58Å; F1021-Y1025 HydrophobicContact CD2-CD2 3.58Å; F1021-Y1025 AromaticContact CD2-CE2 3.86Å; F1021-Y1025 HydrophobicContact CD2-CE2 3.86Å; F1021-Y1025 AromaticContact CE1-CD2 3.73Å; F1021-Y1025 HydrophobicContact CE1-CD2 3.73Å; F1021-Y1025 HydrophobicContact CE1-CG 4.09Å; F1021-Y1025 AromaticContact CE2-CD2 3.41Å; F1021-Y1025 HydrophobicContact CE2-CD2 3.41Å; F1021-Y1025 VanDerWaalsContact CE2-CD2 3.41Å; F1021-Y1025 AromaticContact CE2-CE2 3.68Å; F1021-Y1025 HydrophobicContact CE2-CE2 3.68Å; F1021-Y1025 HydrophobicContact CE2-CG 4.34Å; F1021-Y1025 AromaticContact CG-CD2 3.83Å; F1021-Y1025 HydrophobicContact CG-CD2 3.83Å; F1021-Y1025 HydrophobicContact CG-CE2 4.49Å; F1021-Y1025 AromaticContact CZ-CD2 3.47Å; F1021-Y1025 HydrophobicContact CZ-CD2 3.47Å; F1021-Y1025 VanDerWaalsContact CZ-CD2 3.47Å; F1021-Y1025 HydrophobicContact CZ-CE2 4.15Å; F1021-Y1025 AromaticContact CZ-CG 3.98Å; F1021-Y1025 HydrophobicContact CZ-CG 3.98Å; F1021-Y1025 PolarHBondContact O-N 3.48Å; F1021-V1028 HydrophobicContact CE1-CG1 4.03Å; F1021-V1028 HydrophobicContact CE1-CG2 3.82Å
1022	R	89.8	Confident	91.4	Very high	59 Å²	59	38.7 Å²	38.7	22%	0.223	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-30	177.1	-167.1	177	75.6	179.9	3.6	111.9	R496 T999 D1004 F1018 L1019 A1020 G1026	R496-R1022 PolarHBondContact NH1-O 3.33Å; T999-R1022 PolarHBondContact O-NH2 2.9Å; D1004-R1022 IonicContact OD1-NH1 2.77Å; D1004-R1022 IonicContact OD2-NH1 2.72Å; D1004-R1022 IonicContact OD2-NH2 3.67Å; F1018-R1022 VanDerWaalsContact O-CB 3.28Å; F1018-R1022 WeakPolarHBondContact O-CB 3.29Å; F1018-R1022 PolarHBondContact O-N 3.03Å; L1019-R1022 VanDerWaalsContact CD2-NH2 3.33Å; L1019-R1022 PolarHBondContact O-N 2.68Å; A1020-R1022 PolarHBondContact O-N 2.87Å; R1022-G1026 VanDerWaalsContact O-CA 3.28Å; R1022-G1026 WeakPolarHBondContact O-CA 3.43Å; R1022-G1026 PolarHBondContact O-N 3.22Å
1023	N	84.8	Confident	91.6	Very high	90 Å²	90	35.9 Å²	35.9	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-73.7	-31	175	-163	28.1	0	0	0	113.2	R496 L1019 A1020 F1021	R496-N1023 PolarHBondContact NE-O 3.13Å; R496-N1023 PolarHBondContact NH1-O 2.95Å; R496-N1023 VanDerWaalsContact NH1-O 3.08Å; R496-N1023 PolarHBondContact NH1-OD1 2.64Å; R496-N1023 PolarHBondContact NH2-O 2.76Å; R496-N1023 VanDerWaalsContact NH2-O 3.12Å; R496-N1023 PolarHBondContact NH2-OD1 2.74Å; L1019-N1023 PolarHBondContact O-N 2.93Å; A1020-N1023 WeakPolarHBondContact O-CB 3.46Å; A1020-N1023 PolarHBondContact O-N 3.2Å; A1020-N1023 VanDerWaalsContact O-N 3.13Å; F1021-N1023 PolarHBondContact O-N 2.78Å
1024	I	86.6	Confident	91.8	Very high	95 Å²	95	30.3 Å²	30.3	49%	0.487	16%	0.155	S	C	.	.	H	α-helix	trans	-83.3	-52.7	177.6	-60.8	168.5	0	0	0	110.5	R496 A1020 F1021	R496-I1024 WeakPolarHBondContact CB-O 3.48Å; R496-I1024 WeakPolarHBondContact CG-O 3.25Å; A1020-I1024 PolarHBondContact O-N 3.19Å; F1021-I1024 PolarHBondContact O-N 3.37Å; F1021-I1024 VanDerWaalsContact O-N 3.1Å
1025	Y	91.6	Very high	91.9	Very high	34 Å²	34	30.1 Å²	30.1	13%	0.133	15%	0.154	C	C	.	.	H	α-helix	trans	-103.3	-13.3	-166	-60.4	-64.9	0	0	0	114.9	R496 T499 F500 E503 M510 F1021	R496-Y1025 CarbonylContact C-O 3.59Å; R496-Y1025 VanDerWaalsContact CB-C 3.5Å; R496-Y1025 WeakPolarHBondContact CB-O 3.44Å; T499-Y1025 HydrophobicContact CG2-CD1 4.28Å; T499-Y1025 HydrophobicContact CG2-CE1 4.12Å; F500-Y1025 HydrophobicContact CB-CD1 3.73Å; F500-Y1025 HydrophobicContact CB-CG 4.25Å; F500-Y1025 HydrophobicContact CD2-CD1 4.21Å; F500-Y1025 HydrophobicContact CD2-CG 4.21Å; F500-Y1025 HydrophobicContact CG-CD1 4.5Å; E503-Y1025 HydrophobicContact CB-CE1 4.5Å; M510-Y1025 HydrophobicContact CE-CD1 4.3Å; M510-Y1025 HydrophobicContact CE-CE1 3.62Å; M510-Y1025 HydrophobicContact CE-CE2 4.16Å; M510-Y1025 HydrophobicContact SD-CE1 4.49Å; M510-Y1025 HydrophobicContact SD-CE2 4.13Å; F1021-Y1025 AromaticContact CD1-CD2 3.92Å; F1021-Y1025 HydrophobicContact CD1-CD2 3.92Å; F1021-Y1025 AromaticContact CD2-CD2 3.58Å; F1021-Y1025 HydrophobicContact CD2-CD2 3.58Å; F1021-Y1025 AromaticContact CD2-CE2 3.86Å; F1021-Y1025 HydrophobicContact CD2-CE2 3.86Å; F1021-Y1025 AromaticContact CE1-CD2 3.73Å; F1021-Y1025 HydrophobicContact CE1-CD2 3.73Å; F1021-Y1025 HydrophobicContact CE1-CG 4.09Å; F1021-Y1025 AromaticContact CE2-CD2 3.41Å; F1021-Y1025 HydrophobicContact CE2-CD2 3.41Å; F1021-Y1025 VanDerWaalsContact CE2-CD2 3.41Å; F1021-Y1025 AromaticContact CE2-CE2 3.68Å; F1021-Y1025 HydrophobicContact CE2-CE2 3.68Å; F1021-Y1025 HydrophobicContact CE2-CG 4.34Å; F1021-Y1025 AromaticContact CG-CD2 3.83Å; F1021-Y1025 HydrophobicContact CG-CD2 3.83Å; F1021-Y1025 HydrophobicContact CG-CE2 4.49Å; F1021-Y1025 AromaticContact CZ-CD2 3.47Å; F1021-Y1025 HydrophobicContact CZ-CD2 3.47Å; F1021-Y1025 VanDerWaalsContact CZ-CD2 3.47Å; F1021-Y1025 HydrophobicContact CZ-CE2 4.15Å; F1021-Y1025 AromaticContact CZ-CG 3.98Å; F1021-Y1025 HydrophobicContact CZ-CG 3.98Å; F1021-Y1025 PolarHBondContact O-N 3.48Å
1026	G	89.6	Confident	92	Very high	6 Å²	6	30.2 Å²	30.2	6%	0.062	16%	0.155	C	C	.	.			trans	73.8	-151.1	174.8	0	0	0	0	0	113.8	R1022 V1028	R1022-G1026 VanDerWaalsContact O-CA 3.28Å; R1022-G1026 WeakPolarHBondContact O-CA 3.43Å; R1022-G1026 PolarHBondContact O-N 3.22Å; G1026-V1028 VanDerWaalsContact C-N 3.31Å; G1026-V1028 PolarHBondContact O-N 3.4Å
1027	P	91.6	Very high	92.1	Very high	26 Å²	26	27.4 Å²	27.4	17%	0.169	14%	0.142	C	C	.	.			trans	-82.7	68.5	-170.6	34.8	-36.1	0	0	0	112.2	R493 D1029 K1030 L1050	R493-P1027 HydrophobicContact CG-CG 4.23Å; P1027-D1029 WeakPolarHBondContact CA-OD1 3.48Å; P1027-D1029 WeakPolarHBondContact CB-OD1 3.39Å; P1027-D1029 PolarHBondContact O-N 2.9Å; P1027-K1030 HydrophobicContact CB-CG 4.34Å; P1027-K1030 PolarHBondContact O-N 3.01Å; P1027-K1030 VanDerWaalsContact O-N 3.13Å; P1027-L1050 HydrophobicContact CG-CD2 3.91Å
1028	V	94	Very high	92	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-65.1	-14.7	179.8	-61.9	0	0	0	0	113.5	L497 F500 R580 R617 F1021 G1026 K1030 L1031 F1036	L497-V1028 HydrophobicContact CD2-CG1 4.13Å; F500-V1028 HydrophobicContact CB-CG1 4.24Å; F500-V1028 HydrophobicContact CD1-CG1 4.33Å; F500-V1028 HydrophobicContact CD2-CG1 3.83Å; F500-V1028 HydrophobicContact CE2-CG1 4.25Å; F500-V1028 HydrophobicContact CG-CG1 3.86Å; R580-V1028 PolarHBondContact NH2-O 3.23Å; R617-V1028 HydrophobicContact CB-CG2 4Å; F1021-V1028 HydrophobicContact CE1-CG1 4.03Å; F1021-V1028 HydrophobicContact CE1-CG2 3.82Å; G1026-V1028 VanDerWaalsContact C-N 3.31Å; G1026-V1028 PolarHBondContact O-N 3.4Å; V1028-K1030 PolarHBondContact O-N 2.94Å; V1028-L1031 HydrophobicContact CB-CD1 4.29Å; V1028-L1031 HydrophobicContact CG1-CD1 4.42Å; V1028-L1031 WeakPolarHBondContact O-CB 3.44Å; V1028-L1031 PolarHBondContact O-N 3.1Å; V1028-F1036 HydrophobicContact CB-CD2 4.18Å; V1028-F1036 HydrophobicContact CB-CE2 4.22Å; V1028-F1036 HydrophobicContact CG2-CD2 4.31Å; V1028-F1036 HydrophobicContact CG2-CE2 3.89Å
1029	D	92.7	Very high	92	Very high	31 Å²	31	26.4 Å²	26.4	17%	0.166	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59.9	-30.7	170.5	60.5	-71	0	0	0	112.8	R580 E618 P1027 L1031	R580-D1029 PolarHBondContact NH2-O 3.46Å; E618-D1029 HydrophobicContact CB-CB 3.74Å; P1027-D1029 WeakPolarHBondContact CA-OD1 3.48Å; P1027-D1029 WeakPolarHBondContact CB-OD1 3.39Å; P1027-D1029 PolarHBondContact O-N 2.9Å; D1029-L1031 VanDerWaalsContact C-N 3.32Å; D1029-L1031 PolarHBondContact O-N 3.5Å
1030	K	92.8	Very high	92.1	Very high	44 Å²	44	26.3 Å²	26.3	19%	0.191	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-79.4	-10.4	178.5	-58.9	-65.8	175.5	-100.6	0	113.8	E626 P1027 V1028 V1048	E626-K1030 VanDerWaalsContact CD-NZ 3.32Å; E626-K1030 IonicContact OE1-NZ 3.78Å; E626-K1030 PolarHBondContact OE1-NZ 2.71Å; E626-K1030 IonicContact OE2-NZ 2.66Å; E626-K1030 PolarHBondContact OE2-NZ 2.97Å; E626-K1030 VanDerWaalsContact OE2-NZ 3.15Å; P1027-K1030 HydrophobicContact CB-CG 4.34Å; P1027-K1030 PolarHBondContact O-N 3.01Å; P1027-K1030 VanDerWaalsContact O-N 3.13Å; V1028-K1030 PolarHBondContact O-N 2.94Å; K1030-V1048 HydrophobicContact CB-CG1 4.13Å
1031	L	94.6	Very high	92.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-71.9	145.3	174.3	-63.5	176.7	0	0	0	111.3	L497 F500 L501 R580 Y582 V1028 D1029 I1046 V1048	L497-L1031 HydrophobicContact CD1-CD2 4.36Å; L497-L1031 HydrophobicContact CD2-CD1 4.25Å; L497-L1031 HydrophobicContact CD2-CD2 4.21Å; L497-L1031 HydrophobicContact CD2-CG 4.11Å; F500-L1031 HydrophobicContact CD1-CD1 3.47Å; F500-L1031 VanDerWaalsContact CD1-CD1 3.47Å; F500-L1031 HydrophobicContact CE1-CD1 3.61Å; F500-L1031 HydrophobicContact CG-CD1 4.44Å; L501-L1031 HydrophobicContact CD2-CD1 4.34Å; R580-L1031 VanDerWaalsContact CZ-O 3.31Å; R580-L1031 PolarHBondContact NH1-O 3.05Å; R580-L1031 PolarHBondContact NH2-O 3.17Å; Y582-L1031 WeakPolarHBondContact CD2-O 3.47Å; V1028-L1031 HydrophobicContact CB-CD1 4.29Å; V1028-L1031 HydrophobicContact CG1-CD1 4.42Å; V1028-L1031 WeakPolarHBondContact O-CB 3.44Å; V1028-L1031 PolarHBondContact O-N 3.1Å; D1029-L1031 VanDerWaalsContact C-N 3.32Å; D1029-L1031 PolarHBondContact O-N 3.5Å; L1031-I1046 HydrophobicContact CD2-CD1 4.38Å; L1031-V1048 HydrophobicContact CD2-CG1 4.32Å; L1031-V1048 HydrophobicContact CD2-CG2 3.88Å
1032	P	94.3	Very high	92.1	Very high	24 Å²	24	30.8 Å²	30.8	16%	0.156	16%	0.157	C	C	.	.			trans	-56.7	143.5	166.6	-23.7	33.7	0	0	0	111.9	Y582 R1034 A1035 F1036 I1046	Y582-P1032 HydrophobicContact CE1-CB 4.32Å; P1032-R1034 VanDerWaalsContact C-N 3.32Å; P1032-R1034 PolarHBondContact O-N 3.17Å; P1032-A1035 HydrophobicContact CB-CB 4.48Å; P1032-A1035 WeakPolarHBondContact O-CB 3.5Å; P1032-A1035 PolarHBondContact O-N 3.36Å; P1032-F1036 PolarHBondContact O-N 2.71Å; P1032-I1046 HydrophobicContact CG-CB 4.36Å; P1032-I1046 HydrophobicContact CG-CD1 4.43Å; P1032-I1046 HydrophobicContact CG-CG2 4.31Å
1033	T	94.8	Very high	92.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-38.6	-171.7	-68.9	0	0	0	0	114.3	R580 D583 L841 Y842 F1036 F1037	R580-T1033 VanDerWaalsContact NH1-CA 3.34Å; R580-T1033 PolarHBondContact NH1-OG1 2.81Å; D583-T1033 WeakPolarHBondContact OD2-CB 3.46Å; D583-T1033 PolarHBondContact OD2-OG1 3.29Å; L841-T1033 HydrophobicContact CB-CG2 3.98Å; L841-T1033 HydrophobicContact CD1-CG2 4.37Å; Y842-T1033 HydrophobicContact CD1-CG2 4.45Å; Y842-T1033 HydrophobicContact CE1-CG2 3.68Å; Y842-T1033 HydrophobicContact CE2-CG2 3.99Å; Y842-T1033 VanDerWaalsContact CZ-CG2 3.4Å; Y842-T1033 WeakPolarHBondContact OH-CG2 3.25Å; Y842-T1033 PolarHBondContact OH-OG1 3.01Å; T1033-F1036 PolarHBondContact O-N 3.16Å; T1033-F1037 HydrophobicContact CG2-CD2 3.87Å; T1033-F1037 HydrophobicContact CG2-CE2 3.54Å; T1033-F1037 VanDerWaalsContact O-CD2 3.29Å; T1033-F1037 WeakPolarHBondContact O-CD2 3.2Å; T1033-F1037 PolarHBondContact O-N 3.2Å; T1033-F1037 VanDerWaalsContact O-N 3.15Å
1034	R	93.9	Very high	92.5	Very high	25 Å²	25	27.9 Å²	27.9	9%	0.094	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-48.3	172.9	178.4	170.6	-170.5	-79.8	-6.8	112.3	P519 R520 P1032 F1036 F1037 I1038 D1041 E1044	P519-R1034 HydrophobicContact CB-CB 4.3Å; P519-R1034 HydrophobicContact CB-CG 4.12Å; R520-R1034 WeakPolarHBondContact O-CD 3.26Å; P1032-R1034 VanDerWaalsContact C-N 3.32Å; P1032-R1034 PolarHBondContact O-N 3.17Å; R1034-F1036 PolarHBondContact O-N 3.17Å; R1034-F1037 PolarHBondContact O-N 2.87Å; R1034-I1038 HydrophobicContact CG-CD1 4.07Å; R1034-I1038 HydrophobicContact CG-CG1 3.94Å; R1034-I1038 WeakPolarHBondContact O-CG1 3.38Å; R1034-I1038 PolarHBondContact O-N 3.42Å; R1034-D1041 IonicContact CZ-OD2 3.35Å; R1034-D1041 IonicContact NH1-OD2 3.87Å; R1034-D1041 IonicContact NH2-OD1 3.85Å; R1034-D1041 IonicContact NH2-OD2 3.1Å; R1034-D1041 PolarHBondContact NH2-OD2 3.31Å; R1034-E1044 IonicContact CZ-OE1 3.87Å; R1034-E1044 IonicContact CZ-OE2 3.52Å; R1034-E1044 IonicContact NH1-OE1 2.73Å; R1034-E1044 PolarHBondContact NH1-OE1 3.32Å; R1034-E1044 IonicContact NH1-OE2 3.66Å; R1034-E1044 PolarHBondContact NH1-OE2 2.86Å
1035	A	93.7	Very high	92.9	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-28.7	179.8	0	0	0	0	0	112.7	L501 P1032 G1039 L1040 I1046	L501-A1035 HydrophobicContact CD2-CB 4.41Å; P1032-A1035 HydrophobicContact CB-CB 4.48Å; P1032-A1035 WeakPolarHBondContact O-CB 3.5Å; P1032-A1035 PolarHBondContact O-N 3.36Å; A1035-G1039 WeakPolarHBondContact CA-O 3.17Å; A1035-G1039 VanDerWaalsContact O-CA 3.28Å; A1035-G1039 WeakPolarHBondContact O-CA 3.35Å; A1035-G1039 PolarHBondContact O-N 2.85Å; A1035-L1040 HydrophobicContact CB-CD2 3.94Å; A1035-I1046 HydrophobicContact CB-CD1 3.93Å
1036	F	95.1	Very high	93	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.013	15%	0.154	C	C	.	.	H	α-helix	trans	-67.3	-47.7	170.4	176.8	-98.6	0	0	0	112.6	F500 T511 L616 V1028 P1032 T1033 R1034	F500-F1036 HydrophobicContact CE1-CD2 4.31Å; F500-F1036 HydrophobicContact CE2-CE2 4.41Å; F500-F1036 AromaticContact CZ-CD2 3.79Å; F500-F1036 HydrophobicContact CZ-CD2 3.79Å; F500-F1036 HydrophobicContact CZ-CE2 4.05Å; F500-F1036 WeakPolarHBondContact CZ-O 3.44Å; T511-F1036 WeakPolarHBondContact OG1-CE1 3.44Å; L616-F1036 HydrophobicContact CD2-CE1 4.48Å; L616-F1036 WeakPolarHBondContact O-CE2 3.46Å; L616-F1036 WeakPolarHBondContact O-CZ 3.42Å; V1028-F1036 HydrophobicContact CB-CD2 4.18Å; V1028-F1036 HydrophobicContact CB-CE2 4.22Å; V1028-F1036 HydrophobicContact CG2-CD2 4.31Å; V1028-F1036 HydrophobicContact CG2-CE2 3.89Å; P1032-F1036 PolarHBondContact O-N 2.71Å; T1033-F1036 PolarHBondContact O-N 3.16Å; R1034-F1036 PolarHBondContact O-N 3.17Å
1037	F	93.2	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-78	-42	-175.4	-69.5	-52.6	0	0	0	114.3	P509 T511 L513 P519 L616 Y842 F845 T1033 R1034	P509-F1037 VanDerWaalsContact CB-O 3.24Å; P509-F1037 WeakPolarHBondContact CB-O 3.46Å; P509-F1037 WeakPolarHBondContact CG-O 3.45Å; T511-F1037 HydrophobicContact CG2-CE1 4.27Å; L513-F1037 HydrophobicContact CD2-CD1 4.42Å; P519-F1037 HydrophobicContact CG-CB 4.26Å; L616-F1037 HydrophobicContact CD2-CE1 4.24Å; L616-F1037 HydrophobicContact CD2-CZ 4.15Å; Y842-F1037 AromaticContact CD1-CE2 3.75Å; Y842-F1037 HydrophobicContact CD1-CE2 3.75Å; Y842-F1037 HydrophobicContact CD1-CZ 4.13Å; Y842-F1037 AromaticContact CE1-CE2 3.59Å; Y842-F1037 HydrophobicContact CE1-CE2 3.59Å; Y842-F1037 AromaticContact CE1-CZ 3.9Å; Y842-F1037 HydrophobicContact CE1-CZ 3.9Å; F845-F1037 HydrophobicContact CD2-CZ 4.39Å; F845-F1037 AromaticContact CE2-CD1 3.99Å; F845-F1037 HydrophobicContact CE2-CD1 3.99Å; F845-F1037 HydrophobicContact CE2-CD2 4.25Å; F845-F1037 AromaticContact CE2-CE1 3.55Å; F845-F1037 HydrophobicContact CE2-CE1 3.55Å; F845-F1037 AromaticContact CE2-CE2 3.82Å; F845-F1037 HydrophobicContact CE2-CE2 3.82Å; F845-F1037 HydrophobicContact CE2-CG 4.34Å; F845-F1037 AromaticContact CE2-CZ 3.47Å; F845-F1037 HydrophobicContact CE2-CZ 3.47Å; F845-F1037 VanDerWaalsContact CE2-CZ 3.47Å; F845-F1037 HydrophobicContact CZ-CD1 4.02Å; F845-F1037 AromaticContact CZ-CE1 3.69Å; F845-F1037 HydrophobicContact CZ-CE1 3.69Å; F845-F1037 HydrophobicContact CZ-CZ 4.09Å; T1033-F1037 HydrophobicContact CG2-CD2 3.87Å; T1033-F1037 HydrophobicContact CG2-CE2 3.54Å; T1033-F1037 VanDerWaalsContact O-CD2 3.29Å; T1033-F1037 WeakPolarHBondContact O-CD2 3.2Å; T1033-F1037 PolarHBondContact O-N 3.2Å; T1033-F1037 VanDerWaalsContact O-N 3.15Å; R1034-F1037 PolarHBondContact O-N 2.87Å
1038	I	92.2	Very high	93.2	Very high	47 Å²	47	30.3 Å²	30.3	24%	0.241	17%	0.167	C	C	.	.	H	α-helix	trans	-127.6	5	-171.5	60.7	162.3	0	0	0	114.5	P509 L513 P519 R1034	P509-I1038 HydrophobicContact CG-CG2 4.33Å; L513-I1038 HydrophobicContact CD1-CG2 4.28Å; P519-I1038 HydrophobicContact CG-CD1 4.35Å; P519-I1038 HydrophobicContact CG-CG1 4.31Å; P519-I1038 HydrophobicContact CG-CG2 4.27Å; R1034-I1038 HydrophobicContact CG-CD1 4.07Å; R1034-I1038 HydrophobicContact CG-CG1 3.94Å; R1034-I1038 WeakPolarHBondContact O-CG1 3.38Å; R1034-I1038 PolarHBondContact O-N 3.42Å
1039	G	92.4	Very high	93.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.01	19%	0.19	C	C	.	.			trans	70.7	-150.3	-176.9	0	0	0	0	0	112.5	A1035	A1035-G1039 WeakPolarHBondContact CA-O 3.17Å; A1035-G1039 VanDerWaalsContact O-CA 3.28Å; A1035-G1039 WeakPolarHBondContact O-CA 3.35Å; A1035-G1039 PolarHBondContact O-N 2.85Å
1040	L	93.1	Very high	92.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.189	C	C	.	.			trans	-118.8	141.2	-174.4	-63.1	175.4	0	0	0	111.2	L501 K505 A1035 E1044 I1046 I1058 M1060	L501-L1040 HydrophobicContact CD1-CD1 4.22Å; L501-L1040 HydrophobicContact CD2-CG 4.38Å; K505-L1040 WeakPolarHBondContact CD-O 3.35Å; K505-L1040 WeakPolarHBondContact CE-O 3.18Å; K505-L1040 PolarHBondContact NZ-O 3.28Å; A1035-L1040 HydrophobicContact CB-CD2 3.94Å; L1040-E1044 HydrophobicContact CB-CB 4.39Å; L1040-E1044 HydrophobicContact CD2-CG 4.05Å; L1040-I1046 HydrophobicContact CD1-CD1 4.21Å; L1040-I1046 HydrophobicContact CD1-CG1 4.07Å; L1040-I1046 HydrophobicContact CD2-CD1 4.07Å; L1040-I1046 HydrophobicContact CD2-CG1 4.09Å; L1040-I1046 HydrophobicContact CD2-CG2 3.72Å; L1040-I1058 HydrophobicContact CD1-CG2 4.23Å; L1040-M1060 HydrophobicContact CB-CB 3.54Å; L1040-M1060 HydrophobicContact CB-CE 4.29Å; L1040-M1060 HydrophobicContact CB-CG 4.16Å; L1040-M1060 HydrophobicContact CD1-CB 4.14Å
1041	D	91.6	Very high	92.2	Very high	59 Å²	59	36.7 Å²	36.7	32%	0.316	20%	0.197	S	C	.	.			trans	-74.8	163.1	170.6	-65.1	-35.3	0	0	0	111.4	K521 R1034 G1043 E1044 M1060	K521-D1041 WeakPolarHBondContact CE-OD2 3.41Å; K521-D1041 IonicContact NZ-OD2 3.56Å; K521-D1041 PolarHBondContact NZ-OD2 3.38Å; R1034-D1041 IonicContact CZ-OD2 3.35Å; R1034-D1041 IonicContact NH1-OD2 3.87Å; R1034-D1041 IonicContact NH2-OD1 3.85Å; R1034-D1041 IonicContact NH2-OD2 3.1Å; R1034-D1041 PolarHBondContact NH2-OD2 3.31Å; D1041-G1043 PolarHBondContact O-N 2.79Å; D1041-E1044 HydrophobicContact CB-CB 4.23Å; D1041-E1044 WeakPolarHBondContact CB-OE2 3.35Å; D1041-E1044 PolarHBondContact N-OE2 3.22Å; D1041-E1044 VanDerWaalsContact O-CB 3.3Å; D1041-E1044 WeakPolarHBondContact O-CB 3.49Å; D1041-E1044 PolarHBondContact O-N 2.85Å; D1041-E1044 VanDerWaalsContact O-N 3.09Å; D1041-M1060 VanDerWaalsContact O-CB 3.31Å; D1041-M1060 WeakPolarHBondContact O-CB 3.25Å; D1041-M1060 WeakPolarHBondContact O-CG 3.38Å
1042	N	91.6	Very high	91.6	Very high	98 Å²	98	46.4 Å²	46.4	52%	0.524	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	128.2	177.5	-60.3	11.9	0	0	0	109.1	K505	K505-N1042 WeakPolarHBondContact CE-OD1 3.33Å; K505-N1042 PolarHBondContact NZ-OD1 3.49Å
1043	G	91.3	Very high	91.2	Very high	50 Å²	50	48.7 Å²	48.7	52%	0.515	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	-8.4	-172	0	0	0	0	0	115.2	D1041 M1060	D1041-G1043 PolarHBondContact O-N 2.79Å; G1043-M1060 WeakPolarHBondContact CA-O 3.46Å; G1043-M1060 PolarHBondContact N-O 2.92Å
1044	E	92.4	Very high	90.9	Very high	38 Å²	38	54.1 Å²	54.1	18%	0.178	29%	0.291	C	S	.	.			trans	-77.8	142.8	-178.5	-169.6	174.1	-177.9	0	0	112.3	R1034 L1040 D1041 K1059 M1060	R1034-E1044 IonicContact CZ-OE1 3.87Å; R1034-E1044 IonicContact CZ-OE2 3.52Å; R1034-E1044 IonicContact NH1-OE1 2.73Å; R1034-E1044 PolarHBondContact NH1-OE1 3.32Å; R1034-E1044 IonicContact NH1-OE2 3.66Å; R1034-E1044 PolarHBondContact NH1-OE2 2.86Å; L1040-E1044 HydrophobicContact CB-CB 4.39Å; L1040-E1044 HydrophobicContact CD2-CG 4.05Å; D1041-E1044 HydrophobicContact CB-CB 4.23Å; D1041-E1044 WeakPolarHBondContact CB-OE2 3.35Å; D1041-E1044 PolarHBondContact N-OE2 3.22Å; D1041-E1044 VanDerWaalsContact O-CB 3.3Å; D1041-E1044 WeakPolarHBondContact O-CB 3.49Å; D1041-E1044 PolarHBondContact O-N 2.85Å; D1041-E1044 VanDerWaalsContact O-N 3.09Å; E1044-K1059 CarbonylContact O-C 3.27Å; E1044-K1059 WeakPolarHBondContact O-CA 3.49Å; E1044-M1060 PolarHBondContact O-N 3.03Å
1045	E	93.6	Very high	90.8	Very high	101 Å²	101	55.3 Å²	55.3	47%	0.472	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.6	-172.9	-168.7	167.8	165.9	0	0	110.1	I1058 K1059	E1045-I1058 CarbonylContact C-O 3.57Å; E1045-I1058 WeakPolarHBondContact CA-O 3.28Å; E1045-K1059 HydrophobicContact CB-CB 4.36Å; E1045-K1059 HydrophobicContact CB-CD 4.48Å; E1045-K1059 HydrophobicContact CB-CG 4.05Å; E1045-K1059 HydrophobicContact CG-CB 4.16Å; E1045-K1059 HydrophobicContact CG-CD 4.47Å; E1045-K1059 HydrophobicContact CG-CG 4.27Å; E1045-K1059 WeakPolarHBondContact OE2-CD 3.41Å; E1045-K1059 WeakPolarHBondContact OE2-CE 3.34Å; E1045-K1059 IonicContact OE2-NZ 3.51Å; E1045-K1059 PolarHBondContact OE2-NZ 3.21Å
1046	I	93.9	Very high	90.7	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147.7	178.1	57.1	164.4	0	0	0	111.9	L1031 P1032 A1035 L1040 V1048 I1058	L1031-I1046 HydrophobicContact CD2-CD1 4.38Å; P1032-I1046 HydrophobicContact CG-CB 4.36Å; P1032-I1046 HydrophobicContact CG-CD1 4.43Å; P1032-I1046 HydrophobicContact CG-CG2 4.31Å; A1035-I1046 HydrophobicContact CB-CD1 3.93Å; L1040-I1046 HydrophobicContact CD1-CD1 4.21Å; L1040-I1046 HydrophobicContact CD1-CG1 4.07Å; L1040-I1046 HydrophobicContact CD2-CD1 4.07Å; L1040-I1046 HydrophobicContact CD2-CG1 4.09Å; L1040-I1046 HydrophobicContact CD2-CG2 3.72Å; I1046-V1048 HydrophobicContact CD1-CG2 3.82Å; I1046-V1048 HydrophobicContact CG1-CG2 4.28Å; I1046-I1058 HydrophobicContact CG1-CB 4.12Å; I1046-I1058 PolarHBondContact N-O 3.25Å; I1046-I1058 PolarHBondContact O-N 3.34Å
1047	D	93.3	Very high	90.7	Very high	91 Å²	91	59.9 Å²	59.9	49%	0.487	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.1	169.4	-74.9	-5.6	0	0	0	110.3	T1055 L1056 H1057	D1047-T1055 HydrophobicContact CB-CG2 3.85Å; D1047-L1056 WeakPolarHBondContact CA-O 3.43Å; D1047-H1057 IonicContact OD1-CE1 3.72Å; D1047-H1057 PolarHBondContact OD1-CE1 2.98Å; D1047-H1057 IonicContact OD1-CG 3.62Å; D1047-H1057 IonicContact OD1-ND1 3.06Å; D1047-H1057 PolarHBondContact OD1-ND1 3.11Å; D1047-H1057 IonicContact OD2-CE1 3.68Å; D1047-H1057 IonicContact OD2-ND1 3.97Å
1048	V	93.4	Very high	90.8	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	103.3	179.9	-175.6	0	0	0	0	109.9	L497 K1030 L1031 I1046 L1050 T1055 L1056 I1058	L497-V1048 HydrophobicContact CD1-CG1 4.02Å; K1030-V1048 HydrophobicContact CB-CG1 4.13Å; L1031-V1048 HydrophobicContact CD2-CG1 4.32Å; L1031-V1048 HydrophobicContact CD2-CG2 3.88Å; I1046-V1048 HydrophobicContact CD1-CG2 3.82Å; I1046-V1048 HydrophobicContact CG1-CG2 4.28Å; V1048-L1050 PolarHBondContact O-N 2.99Å; V1048-T1055 CarbonylContact O-C 3.47Å; V1048-T1055 WeakPolarHBondContact O-CA 3.42Å; V1048-L1056 HydrophobicContact CB-CB 4.33Å; V1048-L1056 PolarHBondContact N-O 3.13Å; V1048-L1056 PolarHBondContact O-N 3.33Å; V1048-I1058 HydrophobicContact CG2-CD1 4.13Å
1049	E	90.5	Very high	91	Very high	107 Å²	107	60.6 Å²	60.6	50%	0.5	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	112.6	173	-171.3	175.1	-155.7	0	0	110.3	E1051 K1052	E1049-E1051 WeakPolarHBondContact CG-O 3.37Å; E1049-K1052 WeakPolarHBondContact OE1-CA 3.21Å
1050	L	85.2	Confident	91.1	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.141	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-35.4	175.5	-72	-177.3	0	0	0	112.7	R493 L497 P1027 V1048 K1054 L1056	R493-L1050 HydrophobicContact CB-CD1 3.93Å; R493-L1050 HydrophobicContact CB-CD2 4.41Å; L497-L1050 HydrophobicContact CD1-CD2 3.83Å; P1027-L1050 HydrophobicContact CG-CD2 3.91Å; V1048-L1050 PolarHBondContact O-N 2.99Å; L1050-K1054 PolarHBondContact N-O 2.98Å; L1050-L1056 HydrophobicContact CD1-CD1 3.94Å; L1050-L1056 HydrophobicContact CD1-CD2 4.23Å; L1050-L1056 HydrophobicContact CD1-CG 4.11Å; L1050-L1056 HydrophobicContact CD2-CD1 4.46Å; L1050-L1056 HydrophobicContact CG-CD1 4.13Å; L1050-L1056 HydrophobicContact CG-CG 4.2Å
1051	E	82.7	Confident	91.1	Very high	75 Å²	75	63.5 Å²	63.5	35%	0.35	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.6	-175.3	-87.8	166.6	-142.4	0	0	107	R493 E1049 G1053 K1054	R493-E1051 IonicContact CZ-OE1 2.71Å; R493-E1051 IonicContact NH1-OE1 3.81Å; R493-E1051 PolarHBondContact NH1-OE1 2.85Å; R493-E1051 IonicContact NH2-OE1 3.5Å; R493-E1051 PolarHBondContact NH2-OE1 3.16Å; E1049-E1051 WeakPolarHBondContact CG-O 3.37Å; E1051-G1053 PolarHBondContact O-N 3.2Å; E1051-K1054 HydrophobicContact CB-CB 4.22Å; E1051-K1054 HydrophobicContact CB-CD 4.13Å; E1051-K1054 HydrophobicContact CB-CG 4.42Å; E1051-K1054 PolarHBondContact O-N 2.97Å; E1051-K1054 WeakPolarHBondContact OE2-CD 3.1Å; E1051-K1054 WeakPolarHBondContact OE2-CE 3.34Å; E1051-K1054 IonicContact OE2-NZ 3.72Å; E1051-K1054 PolarHBondContact OE2-NZ 2.86Å
1052	K	81.3	Confident	91.1	Very high	205 Å²	205	62.3 Å²	62.3	89%	0.891	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	113.3	178.3	-169.4	168.7	-177	171.2	0	111.7	E1049	E1049-K1052 WeakPolarHBondContact OE1-CA 3.21Å
1053	G	85.5	Confident	91.1	Very high	72 Å²	72	61.3 Å²	61.3	74%	0.742	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	14.9	-177.4	0	0	0	0	0	115.8	E1051	E1051-G1053 PolarHBondContact O-N 3.2Å
1054	K	88	Confident	91	Very high	115 Å²	115	60.8 Å²	60.8	50%	0.5	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	74.4	175.3	-63.9	-177.5	-169.1	160.4	0	111	L1050 E1051	L1050-K1054 PolarHBondContact N-O 2.98Å; E1051-K1054 HydrophobicContact CB-CB 4.22Å; E1051-K1054 HydrophobicContact CB-CD 4.13Å; E1051-K1054 HydrophobicContact CB-CG 4.42Å; E1051-K1054 PolarHBondContact O-N 2.97Å; E1051-K1054 WeakPolarHBondContact OE2-CD 3.1Å; E1051-K1054 WeakPolarHBondContact OE2-CE 3.34Å; E1051-K1054 IonicContact OE2-NZ 3.72Å; E1051-K1054 PolarHBondContact OE2-NZ 2.86Å
1055	T	92.5	Very high	90.8	Very high	50 Å²	50	67.2 Å²	67.2	31%	0.307	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	139	173.3	-47.3	0	0	0	0	111.1	D1047 V1048 N1079	D1047-T1055 HydrophobicContact CB-CG2 3.85Å; V1048-T1055 CarbonylContact O-C 3.47Å; V1048-T1055 WeakPolarHBondContact O-CA 3.42Å; T1055-N1079 PolarHBondContact O-ND2 3.04Å
1056	L	92.7	Very high	90.4	Very high	18 Å²	18	66 Å²	66	9%	0.094	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.8	163.1	-51.1	-179.5	0	0	0	108.5	A494 L497 D1047 V1048 L1050 I1058 L1078 N1079	A494-L1056 HydrophobicContact CB-CD1 3.56Å; A494-L1056 HydrophobicContact CB-CD2 3.96Å; A494-L1056 HydrophobicContact CB-CG 4.43Å; L497-L1056 HydrophobicContact CD1-CD1 4.21Å; D1047-L1056 WeakPolarHBondContact CA-O 3.43Å; V1048-L1056 HydrophobicContact CB-CB 4.33Å; V1048-L1056 PolarHBondContact N-O 3.13Å; V1048-L1056 PolarHBondContact O-N 3.33Å; L1050-L1056 HydrophobicContact CD1-CD1 3.94Å; L1050-L1056 HydrophobicContact CD1-CD2 4.23Å; L1050-L1056 HydrophobicContact CD1-CG 4.11Å; L1050-L1056 HydrophobicContact CD2-CD1 4.46Å; L1050-L1056 HydrophobicContact CG-CD1 4.13Å; L1050-L1056 HydrophobicContact CG-CG 4.2Å; L1056-I1058 HydrophobicContact CB-CD1 4.08Å; L1056-I1058 HydrophobicContact CB-CG1 3.95Å; L1056-I1058 HydrophobicContact CD1-CD1 4.23Å; L1056-L1078 HydrophobicContact CB-CD1 4.01Å; L1056-L1078 HydrophobicContact CD1-CD1 4.37Å; L1056-L1078 HydrophobicContact CD2-CD1 4.3Å; L1056-L1078 HydrophobicContact CG-CD1 4.46Å; L1056-N1079 WeakPolarHBondContact CA-OD1 3.42Å
1057	H	94.7	Very high	89.9	Confident	83 Å²	83	67.7 Å²	67.7	38%	0.384	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112.4	167.8	-55.7	-71.2	0	0	0	106.7	D1047 L1078 N1079	D1047-H1057 IonicContact OD1-CE1 3.72Å; D1047-H1057 PolarHBondContact OD1-CE1 2.98Å; D1047-H1057 IonicContact OD1-CG 3.62Å; D1047-H1057 IonicContact OD1-ND1 3.06Å; D1047-H1057 PolarHBondContact OD1-ND1 3.11Å; D1047-H1057 IonicContact OD2-CE1 3.68Å; D1047-H1057 IonicContact OD2-ND1 3.97Å; H1057-L1078 WeakPolarHBondContact O-CA 3.49Å; H1057-N1079 PolarHBondContact N-OD1 2.87Å; H1057-N1079 PolarHBondContact O-N 3.21Å; H1057-N1079 PolarHBondContact O-OD1 3.43Å
1058	I	95.5	Very high	89.1	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.2	-174.5	-56.4	176.5	0	0	0	109.6	L498 L501 L1040 E1045 I1046 V1048 L1056 L1076 E1077 L1078	L498-I1058 HydrophobicContact CD2-CD1 4.18Å; L498-I1058 HydrophobicContact CD2-CG1 4.36Å; L498-I1058 HydrophobicContact CD2-CG2 3.65Å; L501-I1058 HydrophobicContact CD1-CD1 4.24Å; L501-I1058 HydrophobicContact CD1-CG2 3.87Å; L1040-I1058 HydrophobicContact CD1-CG2 4.23Å; E1045-I1058 CarbonylContact C-O 3.57Å; E1045-I1058 WeakPolarHBondContact CA-O 3.28Å; I1046-I1058 HydrophobicContact CG1-CB 4.12Å; I1046-I1058 PolarHBondContact N-O 3.25Å; I1046-I1058 PolarHBondContact O-N 3.34Å; V1048-I1058 HydrophobicContact CG2-CD1 4.13Å; L1056-I1058 HydrophobicContact CB-CD1 4.08Å; L1056-I1058 HydrophobicContact CB-CG1 3.95Å; L1056-I1058 HydrophobicContact CD1-CD1 4.23Å; I1058-L1076 HydrophobicContact CG2-CD2 3.96Å; I1058-E1077 WeakPolarHBondContact CA-O 3.48Å; I1058-L1078 HydrophobicContact CD1-CD1 4.4Å; I1058-L1078 HydrophobicContact CG1-CD1 3.81Å
1059	K	95.3	Very high	88.2	Confident	62 Å²	62	74.1 Å²	74.1	27%	0.27	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.6	178.7	-164.3	172.7	-162.1	139.3	0	111	E1044 E1045 L1061 L1076 E1077	E1044-K1059 CarbonylContact O-C 3.27Å; E1044-K1059 WeakPolarHBondContact O-CA 3.49Å; E1045-K1059 HydrophobicContact CB-CB 4.36Å; E1045-K1059 HydrophobicContact CB-CD 4.48Å; E1045-K1059 HydrophobicContact CB-CG 4.05Å; E1045-K1059 HydrophobicContact CG-CB 4.16Å; E1045-K1059 HydrophobicContact CG-CD 4.47Å; E1045-K1059 HydrophobicContact CG-CG 4.27Å; E1045-K1059 WeakPolarHBondContact OE2-CD 3.41Å; E1045-K1059 WeakPolarHBondContact OE2-CE 3.34Å; E1045-K1059 IonicContact OE2-NZ 3.51Å; E1045-K1059 PolarHBondContact OE2-NZ 3.21Å; K1059-L1061 HydrophobicContact CD-CD2 4.18Å; K1059-L1061 HydrophobicContact CG-CD2 4.24Å; K1059-L1076 CarbonylContact O-C 3.56Å; K1059-L1076 VanDerWaalsContact O-CA 3.28Å; K1059-L1076 WeakPolarHBondContact O-CA 3.42Å; K1059-E1077 HydrophobicContact CB-CB 3.88Å; K1059-E1077 PolarHBondContact N-O 3.17Å; K1059-E1077 PolarHBondContact O-N 3.01Å
1060	M	94.3	Very high	87.7	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.6	172.4	175.5	67.4	69.6	0	0	109.1	K505 L1040 D1041 G1043 E1044 V1074 L1076	K505-M1060 HydrophobicContact CB-CE 3.78Å; K505-M1060 HydrophobicContact CD-CE 3.96Å; K505-M1060 HydrophobicContact CD-SD 4.27Å; K505-M1060 HydrophobicContact CG-CE 3.61Å; K505-M1060 HydrophobicContact CG-SD 3.97Å; L1040-M1060 HydrophobicContact CB-CB 3.54Å; L1040-M1060 HydrophobicContact CB-CE 4.29Å; L1040-M1060 HydrophobicContact CB-CG 4.16Å; L1040-M1060 HydrophobicContact CD1-CB 4.14Å; D1041-M1060 VanDerWaalsContact O-CB 3.31Å; D1041-M1060 WeakPolarHBondContact O-CB 3.25Å; D1041-M1060 WeakPolarHBondContact O-CG 3.38Å; G1043-M1060 WeakPolarHBondContact CA-O 3.46Å; G1043-M1060 PolarHBondContact N-O 2.92Å; E1044-M1060 PolarHBondContact O-N 3.03Å; M1060-V1074 HydrophobicContact CE-CG1 4.18Å; M1060-V1074 HydrophobicContact SD-CG1 3.93Å; M1060-L1076 HydrophobicContact CB-CD2 4.39Å; M1060-L1076 HydrophobicContact CE-CD2 3.81Å; M1060-L1076 HydrophobicContact CE-CG 4.18Å; M1060-L1076 HydrophobicContact SD-CD2 4.22Å; M1060-L1076 HydrophobicContact SD-CG 4.24Å
1061	L	93.3	Very high	87.7	Confident	62 Å²	62	70.2 Å²	70.2	33%	0.325	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-58.9	-177.1	-58.6	175	0	0	0	110.7	K1059 F1075 E1077 L1082	K1059-L1061 HydrophobicContact CD-CD2 4.18Å; K1059-L1061 HydrophobicContact CG-CD2 4.24Å; L1061-F1075 HydrophobicContact CB-CB 4.06Å; L1061-F1075 WeakPolarHBondContact CB-O 3.42Å; L1061-F1075 PolarHBondContact N-O 3.14Å; L1061-E1077 HydrophobicContact CD1-CB 4.3Å; L1061-E1077 HydrophobicContact CG-CB 4.48Å; L1061-L1082 HydrophobicContact CD1-CD1 3.57Å
1062	A	92.8	Very high	88.1	Confident	35 Å²	35	69.5 Å²	69.5	29%	0.289	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	164	-175.3	0	0	0	0	0	113.4	F1075	A1062-F1075 HydrophobicContact CB-CB 4.34Å; A1062-F1075 HydrophobicContact CB-CD2 4.08Å; A1062-F1075 PolarHBondContact N-O 2.92Å; A1062-F1075 PolarHBondContact O-N 2.78Å
1063	K	90.9	Very high	88.5	Confident	77 Å²	77	61.7 Å²	61.7	34%	0.335	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.3	165.2	175.8	171.5	73.5	172.5	0	107.6	K505 V506 R1072 E1073	K505-K1063 HydrophobicContact CG-CD 4.38Å; K505-K1063 WeakPolarHBondContact O-CD 3.14Å; K505-K1063 WeakPolarHBondContact O-CE 3.45Å; K505-K1063 PolarHBondContact O-NZ 3.2Å; V506-K1063 HydrophobicContact CG2-CD 3.77Å; K1063-R1072 HydrophobicContact CG-CB 4.29Å; K1063-E1073 WeakPolarHBondContact CA-O 3.37Å
1064	S	89.9	Confident	88.8	Confident	39 Å²	39	58.3 Å²	58.3	27%	0.273	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-75.8	171.1	178.3	76.5	0	0	0	0	113.1	R1072 E1073	S1064-R1072 PolarHBondContact O-NH1 2.64Å; S1064-E1073 PolarHBondContact N-O 2.68Å; S1064-E1073 PolarHBondContact OG-N 3.25Å
1065	E	88.3	Confident	89	Confident	172 Å²	172	55.5 Å²	55.5	80%	0.804	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-67	172.5	158.3	-58.7	-163.6	159.6	0	0	111.3
1066	L	85.4	Confident	89	Confident	77 Å²	77	53.1 Å²	53.1	40%	0.403	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-72.9	132	-178	-162.2	78.4	0	0	0	110.5	E1071 R1072 D1089 A1092	L1066-E1071 CarbonylContact C-O 3.53Å; L1066-E1071 WeakPolarHBondContact CA-O 3.34Å; L1066-R1072 HydrophobicContact CD1-CG 4.13Å; L1066-D1089 HydrophobicContact CD1-CB 3.58Å; L1066-A1092 HydrophobicContact CD1-CB 3.97Å; L1066-A1092 HydrophobicContact CD2-CB 3.79Å
1067	N	82.7	Confident	89	Confident	54 Å²	54	55.2 Å²	55.2	29%	0.289	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-79.6	169.7	170.5	81	7.3	0	0	0	111.2	V1069 G1070 E1071	N1067-V1069 PolarHBondContact O-N 3.44Å; N1067-V1069 WeakPolarHBondContact OD1-CA 3.32Å; N1067-V1069 WeakPolarHBondContact OD1-CB 3.36Å; N1067-V1069 PolarHBondContact OD1-N 2.92Å; N1067-G1070 PolarHBondContact O-N 3.38Å; N1067-G1070 VanDerWaalsContact O-N 3.12Å; N1067-G1070 PolarHBondContact OD1-N 3.14Å; N1067-G1070 VanDerWaalsContact OD1-N 3.16Å; N1067-E1071 PolarHBondContact N-O 3.46Å; N1067-E1071 PolarHBondContact ND2-OE2 3.1Å; N1067-E1071 PolarHBondContact OD1-N 2.78Å
1068	A	75.4	Confident	88.8	Confident	114 Å²	114	52.1 Å²	52.1	94%	0.942	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-3.7	-178.6	0	0	0	0	0	115.2
1069	V	74.8	Confident	88.6	Confident	112 Å²	112	55.8 Å²	55.8	68%	0.679	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-5.1	-179.5	-164	0	0	0	0	111.6	N1067 E1071	N1067-V1069 PolarHBondContact O-N 3.44Å; N1067-V1069 WeakPolarHBondContact OD1-CA 3.32Å; N1067-V1069 WeakPolarHBondContact OD1-CB 3.36Å; N1067-V1069 PolarHBondContact OD1-N 2.92Å; V1069-E1071 HydrophobicContact CB-CG 4.46Å
1070	G	81.3	Confident	88.1	Confident	10 Å²	10	55.7 Å²	55.7	10%	0.103	32%	0.32	C	S	.	.	S	Bend	trans	90.9	15.2	-176.7	0	0	0	0	0	114.4	N1067 D1089 T1093	N1067-G1070 PolarHBondContact O-N 3.38Å; N1067-G1070 VanDerWaalsContact O-N 3.12Å; N1067-G1070 PolarHBondContact OD1-N 3.14Å; N1067-G1070 VanDerWaalsContact OD1-N 3.16Å; G1070-D1089 WeakPolarHBondContact O-CB 3.32Å; G1070-D1089 PolarHBondContact O-N 3.19Å; G1070-T1093 PolarHBondContact O-OG1 2.67Å
1071	E	85.3	Confident	87.7	Confident	43 Å²	43	59.3 Å²	59.3	20%	0.201	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	162.2	178.3	-44.5	174.2	111.2	0	0	112.5	L1066 N1067 V1069 V1087 I1088	L1066-E1071 CarbonylContact C-O 3.53Å; L1066-E1071 WeakPolarHBondContact CA-O 3.34Å; N1067-E1071 PolarHBondContact N-O 3.46Å; N1067-E1071 PolarHBondContact ND2-OE2 3.1Å; N1067-E1071 PolarHBondContact OD1-N 2.78Å; V1069-E1071 HydrophobicContact CB-CG 4.46Å; E1071-V1087 CarbonylContact C-O 3.56Å; E1071-V1087 WeakPolarHBondContact CA-O 3.32Å; E1071-V1087 WeakPolarHBondContact CB-O 3.12Å; E1071-I1088 HydrophobicContact CG-CG1 4.18Å
1072	R	89.6	Confident	87.4	Confident	59 Å²	59	61.2 Å²	61.2	22%	0.223	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.4	165.5	-59.5	-179.4	-168.8	-94.5	-2.8	110.4	V506 K1063 S1064 L1066 V1087 D1089	V506-R1072 HydrophobicContact CG2-CB 4.36Å; K1063-R1072 HydrophobicContact CG-CB 4.29Å; S1064-R1072 PolarHBondContact O-NH1 2.64Å; L1066-R1072 HydrophobicContact CD1-CG 4.13Å; R1072-V1087 PolarHBondContact N-O 3.22Å; R1072-V1087 PolarHBondContact O-N 2.84Å; R1072-D1089 IonicContact CZ-OD2 2.77Å; R1072-D1089 IonicContact NE-OD2 3.7Å; R1072-D1089 PolarHBondContact NE-OD2 2.95Å; R1072-D1089 IonicContact NH2-OD2 2.66Å; R1072-D1089 PolarHBondContact NH2-OD2 3.47Å
1073	E	90.6	Very high	87.1	Confident	42 Å²	42	60.2 Å²	60.2	20%	0.196	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.6	170.7	-162	169.1	-161.6	0	0	109.5	R390 K1063 S1064 F1075 S1084 F1085 L1086	R390-E1073 IonicContact CZ-OE1 3.98Å; R390-E1073 IonicContact NH1-OE1 2.67Å; R390-E1073 PolarHBondContact NH1-OE1 2.84Å; R390-E1073 IonicContact NH2-OE1 3.74Å; R390-E1073 PolarHBondContact NH2-OE1 3Å; K1063-E1073 WeakPolarHBondContact CA-O 3.37Å; S1064-E1073 PolarHBondContact N-O 2.68Å; S1064-E1073 PolarHBondContact OG-N 3.25Å; E1073-F1075 HydrophobicContact CB-CE2 4.11Å; E1073-F1075 HydrophobicContact CB-CZ 4.21Å; E1073-F1075 HydrophobicContact CG-CE1 4.06Å; E1073-F1075 HydrophobicContact CG-CE2 3.89Å; E1073-F1075 HydrophobicContact CG-CZ 3.58Å; E1073-F1075 WeakPolarHBondContact OE2-CZ 3.3Å; E1073-S1084 WeakPolarHBondContact CG-OG 3.36Å; E1073-S1084 PolarHBondContact OE1-OG 3.32Å; E1073-F1085 CarbonylContact C-O 3.51Å; E1073-F1085 WeakPolarHBondContact CA-O 3.37Å; E1073-L1086 HydrophobicContact CB-CD2 4.09Å; E1073-L1086 HydrophobicContact CG-CD2 4.36Å
1074	V	91.9	Very high	87	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	121	178.6	-178.7	0	0	0	0	109.2	K502 V506 M1060 L1076 F1085 V1087	K502-V1074 HydrophobicContact CB-CB 4.05Å; K502-V1074 HydrophobicContact CB-CG1 3.98Å; K502-V1074 HydrophobicContact CB-CG2 4.22Å; V506-V1074 HydrophobicContact CG2-CG2 3.46Å; V506-V1074 VanDerWaalsContact CG2-CG2 3.46Å; M1060-V1074 HydrophobicContact CE-CG1 4.18Å; M1060-V1074 HydrophobicContact SD-CG1 3.93Å; V1074-L1076 HydrophobicContact CG1-CD1 3.99Å; V1074-L1076 HydrophobicContact CG1-CG 4.33Å; V1074-F1085 PolarHBondContact N-O 3.03Å; V1074-F1085 PolarHBondContact O-N 2.66Å; V1074-F1085 VanDerWaalsContact O-N 3.12Å; V1074-V1087 HydrophobicContact CG2-CG2 3.94Å
1075	F	92.7	Very high	86.7	Confident	57 Å²	57	55.7 Å²	55.7	25%	0.25	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.1	178.7	-59.5	-82.2	0	0	0	110	L1061 A1062 E1073 L1082 R1083	L1061-F1075 HydrophobicContact CB-CB 4.06Å; L1061-F1075 WeakPolarHBondContact CB-O 3.42Å; L1061-F1075 PolarHBondContact N-O 3.14Å; A1062-F1075 HydrophobicContact CB-CB 4.34Å; A1062-F1075 HydrophobicContact CB-CD2 4.08Å; A1062-F1075 PolarHBondContact N-O 2.92Å; A1062-F1075 PolarHBondContact O-N 2.78Å; E1073-F1075 HydrophobicContact CB-CE2 4.11Å; E1073-F1075 HydrophobicContact CB-CZ 4.21Å; E1073-F1075 HydrophobicContact CG-CE1 4.06Å; E1073-F1075 HydrophobicContact CG-CE2 3.89Å; E1073-F1075 HydrophobicContact CG-CZ 3.58Å; E1073-F1075 WeakPolarHBondContact OE2-CZ 3.3Å; F1075-L1082 HydrophobicContact CB-CD1 4.37Å; F1075-L1082 HydrophobicContact CD1-CD1 4.2Å; F1075-R1083 WeakPolarHBondContact CA-O 3.41Å
1076	L	92.4	Very high	86.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	165.9	177.7	-81.8	144.5	0	0	0	108.6	L498 K502 I1058 K1059 M1060 V1074 L1082 R1083 F1085	L498-L1076 HydrophobicContact CD2-CB 4.43Å; L498-L1076 HydrophobicContact CD2-CD1 4.22Å; L498-L1076 HydrophobicContact CD2-CD2 4.18Å; K502-L1076 HydrophobicContact CB-CD1 4.25Å; I1058-L1076 HydrophobicContact CG2-CD2 3.96Å; K1059-L1076 CarbonylContact O-C 3.56Å; K1059-L1076 VanDerWaalsContact O-CA 3.28Å; K1059-L1076 WeakPolarHBondContact O-CA 3.42Å; M1060-L1076 HydrophobicContact CB-CD2 4.39Å; M1060-L1076 HydrophobicContact CE-CD2 3.81Å; M1060-L1076 HydrophobicContact CE-CG 4.18Å; M1060-L1076 HydrophobicContact SD-CD2 4.22Å; M1060-L1076 HydrophobicContact SD-CG 4.24Å; V1074-L1076 HydrophobicContact CG1-CD1 3.99Å; V1074-L1076 HydrophobicContact CG1-CG 4.33Å; L1076-L1082 CarbonylContact O-C 3.25Å; L1076-L1082 WeakPolarHBondContact O-CA 3.47Å; L1076-R1083 PolarHBondContact N-O 3.09Å; L1076-R1083 WeakPolarHBondContact O-CA 3.32Å; L1076-R1083 PolarHBondContact O-N 2.91Å; L1076-F1085 HydrophobicContact CB-CE2 4.37Å; L1076-F1085 HydrophobicContact CD1-CD2 3.91Å; L1076-F1085 HydrophobicContact CD1-CE2 3.77Å
1077	E	91.8	Very high	86.7	Confident	62 Å²	62	47 Å²	47	29%	0.29	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.3	165	-152.4	-175.4	109.7	0	0	108.4	I1058 K1059 L1061 G1080 Q1081	I1058-E1077 WeakPolarHBondContact CA-O 3.48Å; K1059-E1077 HydrophobicContact CB-CB 3.88Å; K1059-E1077 PolarHBondContact N-O 3.17Å; K1059-E1077 PolarHBondContact O-N 3.01Å; L1061-E1077 HydrophobicContact CD1-CB 4.3Å; L1061-E1077 HydrophobicContact CG-CB 4.48Å; E1077-G1080 VanDerWaalsContact OE1-CA 3.23Å; E1077-G1080 WeakPolarHBondContact OE1-CA 3.21Å; E1077-G1080 PolarHBondContact OE1-N 3.42Å; E1077-Q1081 WeakPolarHBondContact CA-O 3.47Å
1078	L	90.9	Very high	86.8	Confident	17 Å²	17	48.7 Å²	48.7	9%	0.089	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.5	174.9	177.9	73.1	0	0	0	109	A494 L498 L1056 H1057 I1058 Q1081 R1083	A494-L1078 HydrophobicContact CB-CD1 4.48Å; A494-L1078 HydrophobicContact CB-CD2 3.99Å; L498-L1078 HydrophobicContact CD1-CB 4.08Å; L498-L1078 HydrophobicContact CD1-CD2 3.97Å; L498-L1078 HydrophobicContact CD1-CG 4.43Å; L1056-L1078 HydrophobicContact CB-CD1 4.01Å; L1056-L1078 HydrophobicContact CD1-CD1 4.37Å; L1056-L1078 HydrophobicContact CD2-CD1 4.3Å; L1056-L1078 HydrophobicContact CG-CD1 4.46Å; H1057-L1078 WeakPolarHBondContact O-CA 3.49Å; I1058-L1078 HydrophobicContact CD1-CD1 4.4Å; I1058-L1078 HydrophobicContact CG1-CD1 3.81Å; L1078-Q1081 PolarHBondContact N-O 2.76Å; L1078-Q1081 PolarHBondContact O-N 2.7Å; L1078-R1083 PolarHBondContact O-NH2 3.16Å
1079	N	90.4	Very high	87.4	Confident	77 Å²	77	43.7 Å²	43.7	41%	0.412	24%	0.239	S	C	.	.	S	Bend	trans	48.6	59.3	-178.9	-61.6	30.3	0	0	0	111.7	T1055 L1056 H1057 Q1081	T1055-N1079 PolarHBondContact O-ND2 3.04Å; L1056-N1079 WeakPolarHBondContact CA-OD1 3.42Å; H1057-N1079 PolarHBondContact N-OD1 2.87Å; H1057-N1079 PolarHBondContact O-N 3.21Å; H1057-N1079 PolarHBondContact O-OD1 3.43Å; N1079-Q1081 VanDerWaalsContact C-N 3.34Å; N1079-Q1081 PolarHBondContact O-N 2.84Å
1080	G	85.3	Confident	87.9	Confident	61 Å²	61	44.4 Å²	44.4	63%	0.629	23%	0.233	S	C	*	.	S	Bend	trans	76.3	11.4	177.6	0	0	0	0	0	115.6	E1077	E1077-G1080 VanDerWaalsContact OE1-CA 3.23Å; E1077-G1080 WeakPolarHBondContact OE1-CA 3.21Å; E1077-G1080 PolarHBondContact OE1-N 3.42Å
1081	Q	85.1	Confident	87.9	Confident	75 Å²	75	51.9 Å²	51.9	35%	0.35	27%	0.265	S	S	.	.	S	Bend	trans	-136.1	132.9	-179.3	-76.8	-158.1	-99.4	0	0	114.9	E1077 L1078 N1079 R1083	E1077-Q1081 WeakPolarHBondContact CA-O 3.47Å; L1078-Q1081 PolarHBondContact N-O 2.76Å; L1078-Q1081 PolarHBondContact O-N 2.7Å; N1079-Q1081 VanDerWaalsContact C-N 3.34Å; N1079-Q1081 PolarHBondContact O-N 2.84Å; Q1081-R1083 PolarHBondContact O-N 3.15Å; Q1081-R1083 PolarHBondContact O-NH1 2.89Å
1082	L	88.9	Confident	87.3	Confident	102 Å²	102	52.1 Å²	52.1	53%	0.534	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	121.3	175.6	-171.4	63.4	0	0	0	113.1	L1061 F1075 L1076	L1061-L1082 HydrophobicContact CD1-CD1 3.57Å; F1075-L1082 HydrophobicContact CB-CD1 4.37Å; F1075-L1082 HydrophobicContact CD1-CD1 4.2Å; L1076-L1082 CarbonylContact O-C 3.25Å; L1076-L1082 WeakPolarHBondContact O-CA 3.47Å
1083	R	86.3	Confident	86.2	Confident	15 Å²	15	50.4 Å²	50.4	6%	0.057	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.4	151.2	60	-162.9	144.4	-67.7	-8.8	111	L498 F1075 L1076 L1078 Q1081 F1085	L498-R1083 HydrophobicContact CD1-CG 4.04Å; F1075-R1083 WeakPolarHBondContact CA-O 3.41Å; L1076-R1083 PolarHBondContact N-O 3.09Å; L1076-R1083 WeakPolarHBondContact O-CA 3.32Å; L1076-R1083 PolarHBondContact O-N 2.91Å; L1078-R1083 PolarHBondContact O-NH2 3.16Å; Q1081-R1083 PolarHBondContact O-N 3.15Å; Q1081-R1083 PolarHBondContact O-NH1 2.89Å; R1083-F1085 HydrophobicContact CB-CE1 4.29Å; R1083-F1085 HydrophobicContact CB-CE2 3.99Å; R1083-F1085 HydrophobicContact CB-CZ 3.73Å; R1083-F1085 HydrophobicContact CG-CE2 4.2Å; R1083-F1085 HydrophobicContact CG-CZ 3.76Å
1084	S	87.1	Confident	84.6	Confident	19 Å²	19	53.3 Å²	53.3	13%	0.133	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.3	151.2	-178.8	0	0	0	0	109.5	E1073	E1073-S1084 WeakPolarHBondContact CG-OG 3.36Å; E1073-S1084 PolarHBondContact OE1-OG 3.32Å
1085	F	85.4	Confident	82.4	Confident	1 Å²	1	57.1 Å²	57.1	0%	0.004	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.9	179.4	-53.4	-71.6	0	0	0	110.7	E392 L498 K502 E1073 V1074 L1076 R1083	E392-F1085 WeakPolarHBondContact OE1-CD1 3.44Å; L498-F1085 HydrophobicContact CB-CE2 3.95Å; L498-F1085 HydrophobicContact CB-CZ 3.92Å; L498-F1085 HydrophobicContact CD1-CE2 4.03Å; L498-F1085 HydrophobicContact CD1-CZ 3.73Å; L498-F1085 HydrophobicContact CG-CZ 4.48Å; K502-F1085 HydrophobicContact CB-CD2 4.5Å; K502-F1085 HydrophobicContact CD-CB 3.38Å; K502-F1085 HydrophobicContact CD-CD1 4.33Å; K502-F1085 HydrophobicContact CD-CD2 4.02Å; K502-F1085 HydrophobicContact CD-CG 3.67Å; E1073-F1085 CarbonylContact C-O 3.51Å; E1073-F1085 WeakPolarHBondContact CA-O 3.37Å; V1074-F1085 PolarHBondContact N-O 3.03Å; V1074-F1085 PolarHBondContact O-N 2.66Å; V1074-F1085 VanDerWaalsContact O-N 3.12Å; L1076-F1085 HydrophobicContact CB-CE2 4.37Å; L1076-F1085 HydrophobicContact CD1-CD2 3.91Å; L1076-F1085 HydrophobicContact CD1-CE2 3.77Å; R1083-F1085 HydrophobicContact CB-CE1 4.29Å; R1083-F1085 HydrophobicContact CB-CE2 3.99Å; R1083-F1085 HydrophobicContact CB-CZ 3.73Å; R1083-F1085 HydrophobicContact CG-CE2 4.2Å; R1083-F1085 HydrophobicContact CG-CZ 3.76Å
1086	L	84.7	Confident	80	Confident	61 Å²	61	57.3 Å²	57.3	32%	0.319	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	147.7	162.7	-66.2	167.6	0	0	0	110	K502 E1073	K502-L1086 PolarHBondContact NZ-O 3.23Å; E1073-L1086 HydrophobicContact CB-CD2 4.09Å; E1073-L1086 HydrophobicContact CG-CD2 4.36Å
1087	V	87.5	Confident	77.7	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.036	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	125	-178.6	-173.4	0	0	0	0	108.9	K502 E503 V506 E1071 R1072 V1074 D1089	K502-V1087 HydrophobicContact CB-CG2 3.94Å; K502-V1087 HydrophobicContact CD-CG2 3.49Å; K502-V1087 VanDerWaalsContact CD-CG2 3.49Å; K502-V1087 HydrophobicContact CG-CG2 3.6Å; E503-V1087 WeakPolarHBondContact OE2-CG1 3.04Å; V506-V1087 HydrophobicContact CB-CB 4.3Å; V506-V1087 HydrophobicContact CB-CG1 3.78Å; V506-V1087 HydrophobicContact CG1-CB 4.32Å; V506-V1087 HydrophobicContact CG1-CG1 3.87Å; V506-V1087 HydrophobicContact CG2-CB 3.91Å; V506-V1087 HydrophobicContact CG2-CG1 3.92Å; V506-V1087 HydrophobicContact CG2-CG2 4.23Å; E1071-V1087 CarbonylContact C-O 3.56Å; E1071-V1087 WeakPolarHBondContact CA-O 3.32Å; E1071-V1087 WeakPolarHBondContact CB-O 3.12Å; R1072-V1087 PolarHBondContact N-O 3.22Å; R1072-V1087 PolarHBondContact O-N 2.84Å; V1074-V1087 HydrophobicContact CG2-CG2 3.94Å; V1087-D1089 PolarHBondContact O-N 3.18Å
1088	I	86.5	Confident	75.9	Confident	90 Å²	90	63 Å²	63	46%	0.462	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.7	175.4	-60.4	169.7	0	0	0	109.3	N507 E1071 K1090 T1093	N507-I1088 PolarHBondContact ND2-O 3.24Å; N507-I1088 PolarHBondContact OD1-O 3.25Å; E1071-I1088 HydrophobicContact CG-CG1 4.18Å; I1088-K1090 PolarHBondContact O-N 3.13Å; I1088-T1093 HydrophobicContact CG2-CG2 4.06Å; I1088-T1093 WeakPolarHBondContact CG2-OG1 3.48Å
1089	D	88	Confident	74.5	Confident	9 Å²	9	67.9 Å²	67.9	5%	0.048	43%	0.425	C	S	.	.			trans	-79.3	106.3	171.6	-174.8	-44.6	0	0	0	108.2	V506 L1066 G1070 R1072 V1087 E1091 A1092 T1093	V506-D1089 HydrophobicContact CG1-CB 4.22Å; L1066-D1089 HydrophobicContact CD1-CB 3.58Å; G1070-D1089 WeakPolarHBondContact O-CB 3.32Å; G1070-D1089 PolarHBondContact O-N 3.19Å; R1072-D1089 IonicContact CZ-OD2 2.77Å; R1072-D1089 IonicContact NE-OD2 3.7Å; R1072-D1089 PolarHBondContact NE-OD2 2.95Å; R1072-D1089 IonicContact NH2-OD2 2.66Å; R1072-D1089 PolarHBondContact NH2-OD2 3.47Å; V1087-D1089 PolarHBondContact O-N 3.18Å; D1089-E1091 VanDerWaalsContact C-N 3.29Å; D1089-E1091 PolarHBondContact O-N 3.32Å; D1089-E1091 PolarHBondContact OD1-N 3.17Å; D1089-A1092 HydrophobicContact CB-CB 4.07Å; D1089-A1092 PolarHBondContact O-N 2.89Å; D1089-A1092 PolarHBondContact OD1-N 2.84Å; D1089-T1093 WeakPolarHBondContact O-CB 3.32Å; D1089-T1093 PolarHBondContact O-N 3.1Å; D1089-T1093 PolarHBondContact O-OG1 2.96Å
1090	K	84.7	Confident	73.7	Confident	126 Å²	126	71.5 Å²	71.5	55%	0.548	43%	0.433	S	S	.	.	H	α-helix	trans	-69.8	-26.5	-172.5	-73.7	169.9	177.4	159.4	0	112.8	E503 N507 I1088 S1094	E503-K1090 WeakPolarHBondContact OE1-CE 3.41Å; E503-K1090 IonicContact OE1-NZ 3.77Å; E503-K1090 PolarHBondContact OE1-NZ 3.39Å; N507-K1090 HydrophobicContact CB-CD 4.2Å; N507-K1090 PolarHBondContact OD1-N 3Å; I1088-K1090 PolarHBondContact O-N 3.13Å; K1090-S1094 WeakPolarHBondContact O-CB 3.44Å; K1090-S1094 PolarHBondContact O-N 2.85Å
1091	E	80	Confident	73.4	Confident	167 Å²	167	76.3 Å²	76.3	78%	0.78	43%	0.432	S	S	*	.	H	α-helix	trans	-73.7	-51.8	176.8	-169.3	172.1	-172.5	0	0	109.2	D1089 T1093 S1094	D1089-E1091 VanDerWaalsContact C-N 3.29Å; D1089-E1091 PolarHBondContact O-N 3.32Å; D1089-E1091 PolarHBondContact OD1-N 3.17Å; E1091-T1093 PolarHBondContact O-N 2.63Å; E1091-S1094 WeakPolarHBondContact O-CB 3.29Å; E1091-S1094 PolarHBondContact O-N 3.19Å; E1091-S1094 PolarHBondContact O-OG 2.76Å
1092	A	74.5	Confident	73	Confident	49 Å²	49	73.7 Å²	73.7	41%	0.405	42%	0.424	S	S	.	.	H	α-helix	trans	-64.2	-38.9	177.5	0	0	0	0	0	113.4	L1066 D1089 S1094	L1066-A1092 HydrophobicContact CD1-CB 3.97Å; L1066-A1092 HydrophobicContact CD2-CB 3.79Å; D1089-A1092 HydrophobicContact CB-CB 4.07Å; D1089-A1092 PolarHBondContact O-N 2.89Å; D1089-A1092 PolarHBondContact OD1-N 2.84Å; A1092-S1094 VanDerWaalsContact C-N 3.29Å; A1092-S1094 PolarHBondContact O-N 3.41Å
1093	T	66.5	Low	72.4	Confident	22 Å²	22	72.7 Å²	72.7	14%	0.135	42%	0.419	C	S	.	.	H	α-helix	trans	-79.4	-10.1	-177.1	-46.5	0	0	0	0	112.6	G1070 I1088 D1089 E1091 G1095 A1096 A1098	G1070-T1093 PolarHBondContact O-OG1 2.67Å; I1088-T1093 HydrophobicContact CG2-CG2 4.06Å; I1088-T1093 WeakPolarHBondContact CG2-OG1 3.48Å; D1089-T1093 WeakPolarHBondContact O-CB 3.32Å; D1089-T1093 PolarHBondContact O-N 3.1Å; D1089-T1093 PolarHBondContact O-OG1 2.96Å; E1091-T1093 PolarHBondContact O-N 2.63Å; T1093-G1095 PolarHBondContact O-N 3.37Å; T1093-G1095 VanDerWaalsContact O-N 3.09Å; T1093-A1096 HydrophobicContact CG2-CB 4.29Å; T1093-A1096 PolarHBondContact O-N 2.66Å; T1093-A1098 HydrophobicContact CG2-CB 4.49Å
1094	S	57	Low	71.7	Confident	104 Å²	104	78.5 Å²	78.5	73%	0.727	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-23	-178.9	66.3	0	0	0	0	114.6	K1090 E1091 A1092	K1090-S1094 WeakPolarHBondContact O-CB 3.44Å; K1090-S1094 PolarHBondContact O-N 2.85Å; E1091-S1094 WeakPolarHBondContact O-CB 3.29Å; E1091-S1094 PolarHBondContact O-N 3.19Å; E1091-S1094 PolarHBondContact O-OG 2.76Å; A1092-S1094 VanDerWaalsContact C-N 3.29Å; A1092-S1094 PolarHBondContact O-N 3.41Å
1095	G	44.9	Very low	70.7	Confident	79 Å²	79	81.4 Å²	81.4	81%	0.814	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.4	173.2	0	0	0	0	0	115.6	T1093	T1093-G1095 PolarHBondContact O-N 3.37Å; T1093-G1095 VanDerWaalsContact O-N 3.09Å
1096	A	41.5	Very low	70.2	Confident	61 Å²	61	85 Å²	85	50%	0.504	50%	0.501	S	S	.	.	S	Bend	trans	-109.8	128.7	-175.1	0	0	0	0	0	111.4	T1093 A1098	T1093-A1096 HydrophobicContact CG2-CB 4.29Å; T1093-A1096 PolarHBondContact O-N 2.66Å; A1096-A1098 PolarHBondContact O-N 3.01Å
1097	A	45.1	Very low	69.9	Low	108 Å²	108	89.1 Å²	89.1	89%	0.893	52%	0.516	S	S	*	.			trans	-76.3	69.3	-178.7	0	0	0	0	0	112.3	K1099	A1097-K1099 PolarHBondContact O-N 2.8Å
1098	A	53.5	Low	69.7	Low	75 Å²	75	89 Å²	89	62%	0.62	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-57.2	135.2	168.1	0	0	0	0	0	110	T1093 A1096 R1100	T1093-A1098 HydrophobicContact CG2-CB 4.49Å; A1096-A1098 PolarHBondContact O-N 3.01Å; A1098-R1100 PolarHBondContact O-N 2.9Å
1099	K	62.7	Low	69.7	Low	118 Å²	118	85.5 Å²	85.5	51%	0.513	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-58.9	133.1	176.4	-67.1	175.8	-177.1	166.1	0	109.5	A1097 R1101 R1165 D1170	A1097-K1099 PolarHBondContact O-N 2.8Å; K1099-R1101 PolarHBondContact O-N 3.08Å; K1099-R1165 PolarHBondContact NZ-O 3.34Å; K1099-D1170 WeakPolarHBondContact CD-OD2 3.3Å; K1099-D1170 IonicContact NZ-OD2 2.82Å; K1099-D1170 PolarHBondContact NZ-OD2 3.33Å
1100	R	73	Confident	69.7	Low	154 Å²	154	85.7 Å²	85.7	58%	0.581	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-59.6	139.1	170.7	-75.5	-175.1	171.9	-169	-1.9	108.9	A1098 L1171	A1098-R1100 PolarHBondContact O-N 2.9Å; R1100-L1171 HydrophobicContact CB-CB 4.04Å; R1100-L1171 HydrophobicContact CB-CD2 3.93Å; R1100-L1171 WeakPolarHBondContact O-CB 3.48Å; R1100-L1171 PolarHBondContact O-N 3.49Å
1101	R	79.3	Confident	69.8	Low	161 Å²	161	80.8 Å²	80.8	61%	0.608	49%	0.485	S	S	*	.	B	Isolated β-bridge	trans	-100.4	153.6	166.3	-73.1	-166.6	161.3	-170.7	-6.1	110.5	K1099 A1168 G1169 D1170	K1099-R1101 PolarHBondContact O-N 3.08Å; R1101-A1168 PolarHBondContact NH2-O 3.23Å; R1101-G1169 CarbonylContact C-O 3.55Å; R1101-G1169 VanDerWaalsContact CA-O 3.22Å; R1101-G1169 WeakPolarHBondContact CA-O 3.39Å; R1101-G1169 VanDerWaalsContact CB-O 3.27Å; R1101-G1169 WeakPolarHBondContact CB-O 3.26Å; R1101-G1169 WeakPolarHBondContact CG-O 3.08Å; R1101-D1170 IonicContact NE-OD1 3.74Å; R1101-D1170 PolarHBondContact NE-OD1 3.16Å; R1101-D1170 IonicContact NH2-OD1 3.91Å
1102	A	76.2	Confident	70	Confident	21 Å²	21	72.9 Å²	72.9	17%	0.174	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-69.4	141.4	177.8	0	0	0	0	0	111.4	P1104 S1109 G1111 G1169 L1171	A1102-P1104 WeakPolarHBondContact O-CD 3.4Å; A1102-S1109 WeakPolarHBondContact CA-OG 3.2Å; A1102-S1109 VanDerWaalsContact CB-OG 3.31Å; A1102-S1109 WeakPolarHBondContact CB-OG 3.08Å; A1102-G1111 VanDerWaalsContact CB-CA 3.44Å; A1102-G1169 PolarHBondContact N-O 2.85Å; A1102-L1171 HydrophobicContact CB-CD1 4.15Å
1103	D	77	Confident	70	Confident	80 Å²	80	72.2 Å²	72.2	43%	0.428	44%	0.44	S	S	.	.			trans	-83.2	113	171.2	-173	-29.4	0	0	0	109.6	S1105 V1106 S1109	D1103-S1105 PolarHBondContact O-N 2.92Å; D1103-S1105 VanDerWaalsContact O-N 3.12Å; D1103-S1105 WeakPolarHBondContact OD1-CA 3.4Å; D1103-S1105 VanDerWaalsContact OD1-CB 3.29Å; D1103-S1105 WeakPolarHBondContact OD1-CB 3.35Å; D1103-S1105 PolarHBondContact OD1-N 2.62Å; D1103-S1105 PolarHBondContact OD1-OG 3.45Å; D1103-S1105 PolarHBondContact OD2-OG 2.78Å; D1103-V1106 HydrophobicContact CB-CB 4.43Å; D1103-V1106 HydrophobicContact CB-CG2 4.26Å; D1103-V1106 PolarHBondContact O-N 2.95Å; D1103-V1106 VanDerWaalsContact O-N 3.16Å; D1103-S1109 PolarHBondContact N-OG 2.81Å
1104	P	69.8	Low	70.2	Confident	137 Å²	137	72.2 Å²	72.2	89%	0.89	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.7	-178.5	-19.6	33.7	0	0	0	114.2	A1102	A1102-P1104 WeakPolarHBondContact O-CD 3.4Å
1105	S	67	Low	70.7	Confident	80 Å²	80	68.5 Å²	68.5	56%	0.559	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.9	177.3	75.4	0	0	0	0	113.7	D1103	D1103-S1105 PolarHBondContact O-N 2.92Å; D1103-S1105 VanDerWaalsContact O-N 3.12Å; D1103-S1105 WeakPolarHBondContact OD1-CA 3.4Å; D1103-S1105 VanDerWaalsContact OD1-CB 3.29Å; D1103-S1105 WeakPolarHBondContact OD1-CB 3.35Å; D1103-S1105 PolarHBondContact OD1-N 2.62Å; D1103-S1105 PolarHBondContact OD1-OG 3.45Å; D1103-S1105 PolarHBondContact OD2-OG 2.78Å
1106	V	75.7	Confident	72.1	Confident	77 Å²	77	65.1 Å²	65.1	47%	0.467	38%	0.377	S	S	.	.			trans	-110.6	104.6	179.8	-178.9	0	0	0	0	109	D1103 G1108 S1109	D1103-V1106 HydrophobicContact CB-CB 4.43Å; D1103-V1106 HydrophobicContact CB-CG2 4.26Å; D1103-V1106 PolarHBondContact O-N 2.95Å; D1103-V1106 VanDerWaalsContact O-N 3.16Å; V1106-G1108 PolarHBondContact O-N 3.04Å; V1106-S1109 WeakPolarHBondContact O-CB 3.25Å; V1106-S1109 PolarHBondContact O-N 2.94Å
1107	K	77	Confident	73.9	Confident	148 Å²	148	65.5 Å²	65.5	64%	0.643	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.1	-178.1	-68.3	-178.5	-179.7	172.5	0	114.2	S1109 P1150 V1151	K1107-S1109 VanDerWaalsContact C-N 3.32Å; K1107-P1150 WeakPolarHBondContact O-CG 3.35Å; K1107-V1151 HydrophobicContact CB-CG1 3.61Å; K1107-V1151 HydrophobicContact CD-CG1 4.12Å
1108	G	82.8	Confident	75.8	Confident	3 Å²	3	60.4 Å²	60.4	3%	0.031	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.5	176.7	0	0	0	0	0	115.2	V1106 I1110 E1174 I1175	V1106-G1108 PolarHBondContact O-N 3.04Å; G1108-I1110 PolarHBondContact O-N 3.1Å; G1108-E1174 CarbonylContact O-C 3.46Å; G1108-E1174 WeakPolarHBondContact O-CA 3.45Å; G1108-I1175 WeakPolarHBondContact CA-O 3.45Å; G1108-I1175 PolarHBondContact O-N 3.47Å
1109	S	87.5	Confident	77	Confident	17 Å²	17	59.8 Å²	59.8	12%	0.119	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	92.7	178.7	167.9	0	0	0	0	110.2	A1102 D1103 V1106 K1107 G1111	A1102-S1109 WeakPolarHBondContact CA-OG 3.2Å; A1102-S1109 VanDerWaalsContact CB-OG 3.31Å; A1102-S1109 WeakPolarHBondContact CB-OG 3.08Å; D1103-S1109 PolarHBondContact N-OG 2.81Å; V1106-S1109 WeakPolarHBondContact O-CB 3.25Å; V1106-S1109 PolarHBondContact O-N 2.94Å; K1107-S1109 VanDerWaalsContact C-N 3.32Å; S1109-G1111 PolarHBondContact O-N 2.89Å
1110	I	88	Confident	78.1	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.062	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	104.9	-171	-46.9	-53.4	0	0	0	110.6	G1108 L1135 I1147 P1150 L1172 M1173 I1175	G1108-I1110 PolarHBondContact O-N 3.1Å; I1110-L1135 HydrophobicContact CD1-CD1 4.38Å; I1110-L1135 HydrophobicContact CG1-CD1 3.95Å; I1110-L1135 HydrophobicContact CG2-CD1 4.17Å; I1110-I1147 HydrophobicContact CG2-CG2 3.67Å; I1110-P1150 VanDerWaalsContact CD1-CD 3.44Å; I1110-P1150 HydrophobicContact CD1-CG 3.71Å; I1110-L1172 HydrophobicContact CG2-CD1 4.33Å; I1110-L1172 WeakPolarHBondContact O-CB 3.42Å; I1110-L1172 PolarHBondContact O-N 3.06Å; I1110-M1173 HydrophobicContact CB-CG 3.87Å; I1110-M1173 WeakPolarHBondContact CB-O 3.18Å; I1110-M1173 HydrophobicContact CG1-CG 3.91Å; I1110-M1173 HydrophobicContact CG2-CG 4.48Å; I1110-M1173 PolarHBondContact N-O 3.16Å; I1110-M1173 PolarHBondContact O-N 2.96Å; I1110-I1175 HydrophobicContact CD1-CD1 3.89Å; I1110-I1175 HydrophobicContact CD1-CG1 4.47Å; I1110-I1175 HydrophobicContact CG1-CD1 3.75Å; I1110-I1175 HydrophobicContact CG1-CG1 4.07Å
1111	G	87	Confident	78.9	Confident	23 Å²	23	54 Å²	54	24%	0.237	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	152.7	172.6	0	0	0	0	0	113.3	A1102 S1109 P1113 D1170	A1102-G1111 VanDerWaalsContact CB-CA 3.44Å; S1109-G1111 PolarHBondContact O-N 2.89Å; G1111-P1113 WeakPolarHBondContact O-CD 3.4Å; G1111-D1170 CarbonylContact C-O 3.17Å; G1111-D1170 VanDerWaalsContact CA-O 3.32Å; G1111-D1170 WeakPolarHBondContact CA-O 3.47Å
1112	A	83.2	Confident	79.4	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.017	28%	0.284	C	S	.	.			trans	-63.4	121.7	164.6	0	0	0	0	0	109	I1138 C1166 G1169 D1170 L1172	A1112-I1138 HydrophobicContact CB-CD1 4.25Å; A1112-C1166 HydrophobicContact CB-CB 4.04Å; A1112-G1169 PolarHBondContact O-N 3.02Å; A1112-D1170 PolarHBondContact N-O 3.18Å; A1112-L1172 HydrophobicContact CB-CD1 4.41Å; A1112-L1172 HydrophobicContact CB-CD2 4.05Å; A1112-L1172 HydrophobicContact CB-CG 4.21Å
1113	P	75.2	Confident	80.2	Confident	35 Å²	35	49 Å²	49	23%	0.227	28%	0.28	C	S	.	.	S	Bend	trans	-66.1	-45	-179	24.9	-32.9	0	0	0	111	Q385 G1111 M1145 I1147	Q385-P1113 PolarHBondContact NE2-O 2.99Å; Q385-P1113 VanDerWaalsContact OE1-C 3.31Å; Q385-P1113 PolarHBondContact OE1-O 2.95Å; G1111-P1113 WeakPolarHBondContact O-CD 3.4Å; P1113-M1145 HydrophobicContact CG-SD 3.9Å; P1113-I1147 HydrophobicContact CG-CD1 3.61Å
1114	M	70.7	Confident	80.9	Confident	21 Å²	21	52.5 Å²	52.5	10%	0.103	29%	0.291	C	S	.	.	S	Bend	trans	-129.6	159.1	-175.2	69.4	-165.9	-55.3	0	0	111.9	Q385 A1140 M1145	Q385-M1114 HydrophobicContact CG-CB 4.35Å; M1114-A1140 HydrophobicContact CE-CB 3.52Å; M1114-A1140 HydrophobicContact CG-CB 3.91Å; M1114-A1140 HydrophobicContact SD-CB 3.71Å; M1114-M1145 HydrophobicContact SD-CE 4.28Å; M1114-M1145 HydrophobicContact SD-SD 4.48Å
1115	P	68.7	Low	81.9	Confident	27 Å²	27	50.3 Å²	50.3	18%	0.175	28%	0.275	C	S	.	.	S	Bend	trans	-66.8	135.1	172.9	-13.9	30.2	0	0	0	110.6	A1140 C1166 A1168	P1115-A1140 VanDerWaalsContact O-CB 3.31Å; P1115-A1140 WeakPolarHBondContact O-CB 3.45Å; P1115-C1166 CarbonylContact C-O 3.56Å; P1115-C1166 VanDerWaalsContact CA-O 3.3Å; P1115-C1166 WeakPolarHBondContact CA-O 3.45Å; P1115-A1168 HydrophobicContact CG-CB 4.19Å
1116	G	74.2	Confident	83	Confident	7 Å²	7	48.9 Å²	48.9	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-174.2	-176	0	0	0	0	0	113.3	S1139 R1165 C1166	G1116-S1139 CarbonylContact C-O 3.16Å; G1116-S1139 VanDerWaalsContact CA-O 3.22Å; G1116-S1139 WeakPolarHBondContact CA-O 3.48Å; G1116-R1165 CarbonylContact O-C 3.49Å; G1116-R1165 WeakPolarHBondContact O-CA 3.35Å; G1116-C1166 PolarHBondContact N-O 3.48Å; G1116-C1166 PolarHBondContact O-N 2.86Å; G1116-C1166 PolarHBondContact O-SG 3.42Å
1117	D	79.4	Confident	83.8	Confident	70 Å²	70	48.2 Å²	48.2	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.3	177.7	-61	-55.6	0	0	0	109.8	L1119 I1138 S1139 R1165	D1117-L1119 PolarHBondContact O-N 3.39Å; D1117-L1119 VanDerWaalsContact O-N 3.12Å; D1117-I1138 WeakPolarHBondContact O-CA 3.26Å; D1117-S1139 PolarHBondContact N-O 3.12Å; D1117-S1139 PolarHBondContact O-N 3.29Å; D1117-R1165 WeakPolarHBondContact OD1-CA 3.36Å; D1117-R1165 WeakPolarHBondContact OD1-CB 3.32Å; D1117-R1165 VanDerWaalsContact OD1-CG 3.24Å; D1117-R1165 WeakPolarHBondContact OD1-CG 3.29Å
1118	V	83.1	Confident	84.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	101.7	-179.9	179.2	0	0	0	0	109.3	I1121 V1137 I1138 T1160 P1162 N1163 S1164 C1166 L1172	V1118-I1121 HydrophobicContact CG1-CG1 4.04Å; V1118-V1137 CarbonylContact C-O 3.6Å; V1118-I1138 HydrophobicContact CG2-CG1 4.28Å; V1118-T1160 HydrophobicContact CG1-CG2 4.41Å; V1118-T1160 WeakPolarHBondContact CG2-OG1 3.3Å; V1118-P1162 CarbonylContact O-C 3.54Å; V1118-P1162 WeakPolarHBondContact O-CA 3.41Å; V1118-N1163 PolarHBondContact O-N 3.46Å; V1118-S1164 PolarHBondContact N-O 2.91Å; V1118-C1166 HydrophobicContact CG2-CB 4.43Å; V1118-L1172 HydrophobicContact CG2-CD2 4.04Å
1119	L	79.1	Confident	84.9	Confident	63 Å²	63	49.6 Å²	49.6	33%	0.33	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-47	179.9	-68.1	176.3	0	0	0	112	D1117 V1137 E1144	D1117-L1119 PolarHBondContact O-N 3.39Å; D1117-L1119 VanDerWaalsContact O-N 3.12Å; L1119-V1137 HydrophobicContact CB-CB 4.5Å; L1119-V1137 HydrophobicContact CD1-CG1 4.24Å; L1119-V1137 PolarHBondContact N-O 3.29Å; L1119-E1144 HydrophobicContact CD1-CG 3.73Å; L1119-E1144 WeakPolarHBondContact CD1-OE1 3.33Å
1120	Q	86.3	Confident	85.1	Confident	113 Å²	113	56.1 Å²	56.1	53%	0.528	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.4	-170.5	-168.7	172.9	-71.2	0	0	111.2	N1122 A1136 V1137	Q1120-N1122 PolarHBondContact NE2-OD1 3.45Å; Q1120-A1136 CarbonylContact O-C 3.23Å; Q1120-A1136 VanDerWaalsContact O-CA 3.27Å; Q1120-A1136 WeakPolarHBondContact O-CA 3.35Å; Q1120-A1136 WeakPolarHBondContact O-CB 3.45Å; Q1120-V1137 HydrophobicContact CB-CB 4.35Å; Q1120-V1137 HydrophobicContact CB-CG2 4.37Å; Q1120-V1137 PolarHBondContact N-O 3.35Å; Q1120-V1137 PolarHBondContact O-N 3.2Å
1121	I	89.8	Confident	85.1	Confident	36 Å²	36	59.1 Å²	59.1	19%	0.185	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.6	167.9	-53.2	174.4	0	0	0	106.7	V1118 V1123 I1158 T1160 P1162 M1173	V1118-I1121 HydrophobicContact CG1-CG1 4.04Å; I1121-V1123 HydrophobicContact CG2-CG2 4.41Å; I1121-I1158 HydrophobicContact CD1-CG2 3.95Å; I1121-I1158 HydrophobicContact CG2-CD1 4.29Å; I1121-I1158 HydrophobicContact CG2-CG2 4.46Å; I1121-T1160 HydrophobicContact CD1-CG2 3.76Å; I1121-T1160 WeakPolarHBondContact CD1-O 3.42Å; I1121-T1160 HydrophobicContact CG1-CG2 4.37Å; I1121-P1162 HydrophobicContact CD1-CG 4.37Å; I1121-P1162 HydrophobicContact CG1-CG 4.38Å; I1121-M1173 HydrophobicContact CG2-CE 4.03Å
1122	N	89.6	Confident	84.9	Confident	65 Å²	65	65.3 Å²	65.3	35%	0.348	33%	0.333	S	S	.	.			trans	-95.3	-11.6	-170.2	-63.9	-8.8	0	0	0	113.2	Q1120 P1134 L1135	Q1120-N1122 PolarHBondContact NE2-OD1 3.45Å; N1122-P1134 WeakPolarHBondContact CB-O 3.14Å; N1122-P1134 WeakPolarHBondContact ND2-CB 3.45Å; N1122-L1135 PolarHBondContact N-O 3.12Å
1123	V	92.4	Very high	85.2	Confident	14 Å²	14	67.1 Å²	67.1	9%	0.085	34%	0.344	C	S	.	.			trans	-127	161.9	-173.5	-63.5	0	0	0	0	111.6	I1121 V1129 L1135 V1155 I1158 M1173	I1121-V1123 HydrophobicContact CG2-CG2 4.41Å; V1123-V1129 HydrophobicContact CG1-CG1 3.93Å; V1123-L1135 HydrophobicContact CG1-CD2 4.02Å; V1123-L1135 HydrophobicContact CG2-CD2 4.07Å; V1123-V1155 HydrophobicContact CB-CG2 4.22Å; V1123-V1155 HydrophobicContact CG2-CG1 4.44Å; V1123-V1155 HydrophobicContact CG2-CG2 4.02Å; V1123-I1158 HydrophobicContact CG2-CD1 4.47Å; V1123-I1158 VanDerWaalsContact O-CD1 3.29Å; V1123-I1158 WeakPolarHBondContact O-CD1 3.43Å; V1123-M1173 HydrophobicContact CG2-CE 3.99Å; V1123-M1173 HydrophobicContact CG2-SD 3.76Å
1124	K	91.7	Very high	85.8	Confident	152 Å²	152	68.4 Å²	68.4	66%	0.661	35%	0.352	S	S	*	.			trans	-120.9	157.3	179.4	-55.6	174.4	-171.1	173.3	0	110	G1126 D1127 V1155	K1124-G1126 PolarHBondContact O-N 3.29Å; K1124-D1127 WeakPolarHBondContact CB-OD2 3.33Å; K1124-D1127 PolarHBondContact N-OD2 2.78Å; K1124-D1127 WeakPolarHBondContact O-CB 3.44Å; K1124-D1127 PolarHBondContact O-N 3.47Å; K1124-V1155 WeakPolarHBondContact O-CB 3.4Å
1125	V	92.5	Very high	86.8	Confident	91 Å²	91	67.4 Å²	67.4	55%	0.552	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	126.2	169.3	175.1	0	0	0	0	109	V1155 K1156 I1158	V1125-V1155 WeakPolarHBondContact CA-O 3.28Å; V1125-K1156 WeakPolarHBondContact CG1-O 3.44Å; V1125-I1158 HydrophobicContact CG2-CB 4.29Å; V1125-I1158 HydrophobicContact CG2-CD1 4.16Å; V1125-I1158 HydrophobicContact CG2-CG1 3.92Å
1126	G	89.7	Confident	87.8	Confident	51 Å²	51	66.1 Å²	66.1	53%	0.526	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.8	-12.3	-173.1	0	0	0	0	0	115.3	K1124 V1155	K1124-G1126 PolarHBondContact O-N 3.29Å; G1126-V1155 PolarHBondContact N-O 3.28Å
1127	D	91.2	Very high	88.3	Confident	62 Å²	62	66.6 Å²	66.6	33%	0.332	34%	0.341	S	S	.	.			trans	-70.5	135.3	179.3	-73.9	-17.9	0	0	0	111.7	K1124 V1154 V1155	K1124-D1127 WeakPolarHBondContact CB-OD2 3.33Å; K1124-D1127 PolarHBondContact N-OD2 2.78Å; K1124-D1127 WeakPolarHBondContact O-CB 3.44Å; K1124-D1127 PolarHBondContact O-N 3.47Å; D1127-V1154 WeakPolarHBondContact O-CA 3.04Å; D1127-V1155 PolarHBondContact O-N 3.44Å
1128	R	92.7	Very high	88.3	Confident	175 Å²	175	63.4 Å²	63.4	66%	0.66	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	121.3	169.4	-84.3	173.8	166.6	-89.8	-8	109.9	G1153 V1154 E1178	R1128-G1153 WeakPolarHBondContact CA-O 3.34Å; R1128-V1154 HydrophobicContact CG-CG2 3.96Å; R1128-E1178 IonicContact CZ-OE1 2.78Å; R1128-E1178 IonicContact CZ-OE2 2.64Å; R1128-E1178 IonicContact NH1-OE1 3.54Å; R1128-E1178 PolarHBondContact NH1-OE1 2.89Å; R1128-E1178 IonicContact NH1-OE2 2.68Å; R1128-E1178 PolarHBondContact NH1-OE2 3.29Å; R1128-E1178 IonicContact NH2-OE1 3.2Å; R1128-E1178 PolarHBondContact NH2-OE1 3.41Å; R1128-E1178 IonicContact NH2-OE2 2.8Å
1129	V	91.3	Very high	87.8	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	146.2	177.6	-63.6	0	0	0	0	111.2	V1123 T1133 L1135 N1152 G1153 V1155 I1175	V1123-V1129 HydrophobicContact CG1-CG1 3.93Å; V1129-T1133 HydrophobicContact CB-CG2 4.24Å; V1129-T1133 HydrophobicContact CG1-CG2 4.04Å; V1129-L1135 HydrophobicContact CB-CD2 4.49Å; V1129-L1135 HydrophobicContact CG1-CD2 3.97Å; V1129-N1152 WeakPolarHBondContact O-CA 3.37Å; V1129-G1153 PolarHBondContact N-O 3.48Å; V1129-G1153 PolarHBondContact O-N 3.04Å; V1129-V1155 HydrophobicContact CG1-CG2 3.87Å; V1129-V1155 HydrophobicContact CG2-CG2 4.3Å; V1129-I1175 HydrophobicContact CG2-CD1 4.09Å; V1129-I1175 HydrophobicContact CG2-CG2 3.87Å
1130	K	90.7	Very high	87	Confident	153 Å²	153	62.2 Å²	62.2	67%	0.665	32%	0.321	S	S	*	.			trans	-101.4	162.6	169.8	-66	-178	179	179.6	0	110.8	K1132 T1133 S1149 V1151 N1152	K1130-K1132 PolarHBondContact O-N 3.35Å; K1130-T1133 WeakPolarHBondContact CA-OG1 3.48Å; K1130-T1133 PolarHBondContact N-OG1 3.31Å; K1130-T1133 VanDerWaalsContact O-CB 3.25Å; K1130-T1133 WeakPolarHBondContact O-CB 3.43Å; K1130-T1133 PolarHBondContact O-N 3.18Å; K1130-T1133 PolarHBondContact O-OG1 2.88Å; K1130-S1149 WeakPolarHBondContact O-CB 3.34Å; K1130-V1151 CarbonylContact C-O 3.55Å; K1130-N1152 VanDerWaalsContact CA-OD1 3.22Å; K1130-N1152 WeakPolarHBondContact CA-OD1 3.27Å
1131	V	87.7	Confident	85.6	Confident	76 Å²	76	61.5 Å²	61.5	46%	0.461	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	135	166.2	-177	0	0	0	0	109.7	T1133 S1149 V1151 N1152	V1131-T1133 VanDerWaalsContact C-N 3.34Å; V1131-T1133 PolarHBondContact O-N 3.47Å; V1131-S1149 CarbonylContact C-O 3.53Å; V1131-S1149 WeakPolarHBondContact CA-O 3.35Å; V1131-V1151 PolarHBondContact N-O 2.91Å; V1131-N1152 PolarHBondContact N-OD1 2.91Å
1132	K	84.4	Confident	83.6	Confident	152 Å²	152	68.6 Å²	68.6	66%	0.661	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	11.6	-171	-54.3	-156.7	176.6	-171.2	0	117.6	K1130 P1134 E1148 S1149	K1130-K1132 PolarHBondContact O-N 3.35Å; K1132-P1134 WeakPolarHBondContact O-CD 3.46Å; K1132-E1148 WeakPolarHBondContact CA-OE2 3.44Å; K1132-E1148 WeakPolarHBondContact CB-OE2 3.43Å; K1132-E1148 VanDerWaalsContact CG-OE2 3.29Å; K1132-E1148 WeakPolarHBondContact CG-OE2 3.37Å; K1132-S1149 PolarHBondContact N-O 3.47Å
1133	T	88.4	Confident	81.6	Confident	41 Å²	41	69.5 Å²	69.5	25%	0.252	35%	0.352	S	S	.	.			trans	-69.7	128.9	170.9	-53.7	0	0	0	0	109.9	V1129 K1130 V1131 L1135 E1148 S1149	V1129-T1133 HydrophobicContact CB-CG2 4.24Å; V1129-T1133 HydrophobicContact CG1-CG2 4.04Å; K1130-T1133 WeakPolarHBondContact CA-OG1 3.48Å; K1130-T1133 PolarHBondContact N-OG1 3.31Å; K1130-T1133 VanDerWaalsContact O-CB 3.25Å; K1130-T1133 WeakPolarHBondContact O-CB 3.43Å; K1130-T1133 PolarHBondContact O-N 3.18Å; K1130-T1133 PolarHBondContact O-OG1 2.88Å; V1131-T1133 VanDerWaalsContact C-N 3.34Å; V1131-T1133 PolarHBondContact O-N 3.47Å; T1133-L1135 PolarHBondContact O-N 2.72Å; T1133-E1148 CarbonylContact O-C 3.54Å; T1133-E1148 WeakPolarHBondContact O-CA 3.41Å; T1133-S1149 PolarHBondContact O-N 3.01Å
1134	P	88.8	Confident	80.4	Confident	61 Å²	61	75.8 Å²	75.8	40%	0.396	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124.3	173.5	-26.2	37.3	0	0	0	112.2	N1122 K1132 V1146	N1122-P1134 WeakPolarHBondContact CB-O 3.14Å; N1122-P1134 WeakPolarHBondContact ND2-CB 3.45Å; K1132-P1134 WeakPolarHBondContact O-CD 3.46Å; P1134-V1146 HydrophobicContact CB-CG1 3.78Å; P1134-V1146 HydrophobicContact CG-CG1 4.35Å
1135	L	91.6	Very high	79.4	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-45.3	-175.8	-62.8	-179.9	0	0	0	113	I1110 N1122 V1123 V1129 T1133 I1147 M1173 I1175	I1110-L1135 HydrophobicContact CD1-CD1 4.38Å; I1110-L1135 HydrophobicContact CG1-CD1 3.95Å; I1110-L1135 HydrophobicContact CG2-CD1 4.17Å; N1122-L1135 PolarHBondContact N-O 3.12Å; V1123-L1135 HydrophobicContact CG1-CD2 4.02Å; V1123-L1135 HydrophobicContact CG2-CD2 4.07Å; V1129-L1135 HydrophobicContact CB-CD2 4.49Å; V1129-L1135 HydrophobicContact CG1-CD2 3.97Å; T1133-L1135 PolarHBondContact O-N 2.72Å; L1135-I1147 WeakPolarHBondContact CB-O 3.39Å; L1135-I1147 PolarHBondContact N-O 3.04Å; L1135-M1173 HydrophobicContact CB-CE 3.97Å; L1135-M1173 HydrophobicContact CB-SD 3.82Å; L1135-M1173 HydrophobicContact CD1-SD 3.95Å; L1135-M1173 HydrophobicContact CD2-SD 4.07Å; L1135-M1173 HydrophobicContact CG-SD 4.17Å; L1135-I1175 HydrophobicContact CD1-CD1 3.81Å; L1135-I1175 HydrophobicContact CD2-CD1 4.23Å
1136	A	89.4	Confident	78.9	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	167.1	-177.2	0	0	0	0	0	110.7	Q1120 I1147 M1173	Q1120-A1136 CarbonylContact O-C 3.23Å; Q1120-A1136 VanDerWaalsContact O-CA 3.27Å; Q1120-A1136 WeakPolarHBondContact O-CA 3.35Å; Q1120-A1136 WeakPolarHBondContact O-CB 3.45Å; A1136-I1147 HydrophobicContact CB-CB 4.41Å; A1136-I1147 HydrophobicContact CB-CG1 4.43Å; A1136-I1147 PolarHBondContact O-N 3.09Å; A1136-M1173 HydrophobicContact CB-CE 4.29Å
1137	V	83.9	Confident	78.6	Confident	18 Å²	18	70 Å²	70	11%	0.109	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.5	172.8	-171.2	0	0	0	0	108.7	V1118 L1119 Q1120 E1144 M1145 V1146	V1118-V1137 CarbonylContact C-O 3.6Å; L1119-V1137 HydrophobicContact CB-CB 4.5Å; L1119-V1137 HydrophobicContact CD1-CG1 4.24Å; L1119-V1137 PolarHBondContact N-O 3.29Å; Q1120-V1137 HydrophobicContact CB-CB 4.35Å; Q1120-V1137 HydrophobicContact CB-CG2 4.37Å; Q1120-V1137 PolarHBondContact N-O 3.35Å; Q1120-V1137 PolarHBondContact O-N 3.2Å; V1137-E1144 HydrophobicContact CG1-CB 4.08Å; V1137-M1145 WeakPolarHBondContact CA-O 3.42Å; V1137-V1146 HydrophobicContact CG2-CG2 4.39Å
1138	I	80.7	Confident	78.5	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.4	178.2	-50.9	-179.3	0	0	0	108.9	A1112 D1117 V1118 E1144 M1145 I1147 L1172	A1112-I1138 HydrophobicContact CB-CD1 4.25Å; D1117-I1138 WeakPolarHBondContact O-CA 3.26Å; V1118-I1138 HydrophobicContact CG2-CG1 4.28Å; I1138-E1144 WeakPolarHBondContact O-CA 3.47Å; I1138-M1145 PolarHBondContact N-O 3.25Å; I1138-M1145 PolarHBondContact O-N 3.16Å; I1138-I1147 HydrophobicContact CD1-CD1 3.89Å; I1138-I1147 HydrophobicContact CD1-CG1 3.91Å; I1138-I1147 HydrophobicContact CG1-CD1 4.32Å; I1138-I1147 HydrophobicContact CG1-CG1 4.05Å; I1138-L1172 HydrophobicContact CD1-CD1 4.04Å; I1138-L1172 HydrophobicContact CD1-CD2 4.37Å
1139	S	72.2	Confident	78.3	Confident	31 Å²	31	63.6 Å²	63.6	22%	0.217	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.8	169.5	-173.9	0	0	0	0	110.4	G1116 D1117 M1143	G1116-S1139 CarbonylContact C-O 3.16Å; G1116-S1139 VanDerWaalsContact CA-O 3.22Å; G1116-S1139 WeakPolarHBondContact CA-O 3.48Å; D1117-S1139 PolarHBondContact N-O 3.12Å; D1117-S1139 PolarHBondContact O-N 3.29Å; S1139-M1143 WeakPolarHBondContact CA-O 3.17Å
1140	A	61.9	Low	78.1	Confident	7 Å²	7	66.5 Å²	66.5	6%	0.058	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.9	172.2	0	0	0	0	0	109.9	M1114 P1115 K1142 M1143	M1114-A1140 HydrophobicContact CE-CB 3.52Å; M1114-A1140 HydrophobicContact CG-CB 3.91Å; M1114-A1140 HydrophobicContact SD-CB 3.71Å; P1115-A1140 VanDerWaalsContact O-CB 3.31Å; P1115-A1140 WeakPolarHBondContact O-CB 3.45Å; A1140-K1142 PolarHBondContact O-N 3.15Å; A1140-K1142 VanDerWaalsContact O-N 3.14Å; A1140-M1143 PolarHBondContact N-O 3.29Å; A1140-M1143 PolarHBondContact O-N 3.14Å
1141	M	56.3	Low	78	Confident	99 Å²	99	59.4 Å²	59.4	49%	0.488	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	32.5	-177	-48.6	-175.6	82.2	0	0	114.3	P417 M1143	P417-M1141 WeakPolarHBondContact O-CE 3.5Å; P417-M1141 WeakPolarHBondContact O-CG 3.37Å; M1141-M1143 PolarHBondContact O-N 2.97Å
1142	K	47.6	Very low	78.2	Confident	185 Å²	185	59.7 Å²	59.7	80%	0.804	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	13.4	-172	-46.8	178.6	-177.3	178.8	0	115.5	A1140	A1140-K1142 PolarHBondContact O-N 3.15Å; A1140-K1142 VanDerWaalsContact O-N 3.14Å
1143	M	47.7	Very low	78.5	Confident	84 Å²	84	52.4 Å²	52.4	41%	0.414	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130	166.5	-58	-171.3	-54.6	0	0	109.1	S1139 A1140 M1141	S1139-M1143 WeakPolarHBondContact CA-O 3.17Å; A1140-M1143 PolarHBondContact N-O 3.29Å; A1140-M1143 PolarHBondContact O-N 3.14Å; M1141-M1143 PolarHBondContact O-N 2.97Å
1144	E	67	Low	78.7	Confident	145 Å²	145	52.6 Å²	52.6	68%	0.678	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.1	170.3	-61.6	-174.3	175.5	0	0	109.4	L1119 V1137 I1138	L1119-E1144 HydrophobicContact CD1-CG 3.73Å; L1119-E1144 WeakPolarHBondContact CD1-OE1 3.33Å; V1137-E1144 HydrophobicContact CG1-CB 4.08Å; I1138-E1144 WeakPolarHBondContact O-CA 3.47Å
1145	M	70.8	Confident	78.9	Confident	82 Å²	82	49.8 Å²	49.8	40%	0.404	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.8	175.8	-177.7	172.9	-73.1	0	0	109.9	P1113 M1114 V1137 I1138 I1147	P1113-M1145 HydrophobicContact CG-SD 3.9Å; M1114-M1145 HydrophobicContact SD-CE 4.28Å; M1114-M1145 HydrophobicContact SD-SD 4.48Å; V1137-M1145 WeakPolarHBondContact CA-O 3.42Å; I1138-M1145 PolarHBondContact N-O 3.25Å; I1138-M1145 PolarHBondContact O-N 3.16Å; M1145-I1147 HydrophobicContact CG-CD1 4.39Å
1146	V	81.9	Confident	78.9	Confident	75 Å²	75	54.8 Å²	54.8	46%	0.455	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	126.3	170.2	-177.2	0	0	0	0	108.9	P1134 V1137	P1134-V1146 HydrophobicContact CB-CG1 3.78Å; P1134-V1146 HydrophobicContact CG-CG1 4.35Å; V1137-V1146 HydrophobicContact CG2-CG2 4.39Å
1147	I	84.6	Confident	79	Confident	15 Å²	15	57 Å²	57	8%	0.077	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.1	171	-52.3	-54.5	0	0	0	108	I1110 P1113 L1135 A1136 I1138 M1145 L1172	I1110-I1147 HydrophobicContact CG2-CG2 3.67Å; P1113-I1147 HydrophobicContact CG-CD1 3.61Å; L1135-I1147 WeakPolarHBondContact CB-O 3.39Å; L1135-I1147 PolarHBondContact N-O 3.04Å; A1136-I1147 HydrophobicContact CB-CB 4.41Å; A1136-I1147 HydrophobicContact CB-CG1 4.43Å; A1136-I1147 PolarHBondContact O-N 3.09Å; I1138-I1147 HydrophobicContact CD1-CD1 3.89Å; I1138-I1147 HydrophobicContact CD1-CG1 3.91Å; I1138-I1147 HydrophobicContact CG1-CD1 4.32Å; I1138-I1147 HydrophobicContact CG1-CG1 4.05Å; M1145-I1147 HydrophobicContact CG-CD1 4.39Å; I1147-L1172 HydrophobicContact CG1-CD1 4.14Å; I1147-L1172 HydrophobicContact CG2-CD1 4.33Å
1148	E	89.4	Confident	79.2	Confident	100 Å²	100	58.4 Å²	58.4	47%	0.467	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151	-179.8	-76.3	-176.4	-164.6	0	0	111.8	K1132 T1133	K1132-E1148 WeakPolarHBondContact CA-OE2 3.44Å; K1132-E1148 WeakPolarHBondContact CB-OE2 3.43Å; K1132-E1148 VanDerWaalsContact CG-OE2 3.29Å; K1132-E1148 WeakPolarHBondContact CG-OE2 3.37Å; T1133-E1148 CarbonylContact O-C 3.54Å; T1133-E1148 WeakPolarHBondContact O-CA 3.41Å
1149	S	88.7	Confident	79.5	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.021	32%	0.316	C	S	.	.			trans	-70	128.6	173.8	-171.8	0	0	0	0	112.2	K1130 V1131 K1132 T1133 V1151	K1130-S1149 WeakPolarHBondContact O-CB 3.34Å; V1131-S1149 CarbonylContact C-O 3.53Å; V1131-S1149 WeakPolarHBondContact CA-O 3.35Å; K1132-S1149 PolarHBondContact N-O 3.47Å; T1133-S1149 PolarHBondContact O-N 3.01Å; S1149-V1151 VanDerWaalsContact C-N 3.34Å; S1149-V1151 PolarHBondContact OG-N 3.24Å; S1149-V1151 PolarHBondContact OG-O 3.17Å
1150	P	86.4	Confident	80	Confident	68 Å²	68	60.6 Å²	60.6	44%	0.442	31%	0.31	S	S	.	.	S	Bend	trans	-81.9	-11	173.1	34.3	-35.8	0	0	0	113.4	K1107 I1110	K1107-P1150 WeakPolarHBondContact O-CG 3.35Å; I1110-P1150 VanDerWaalsContact CD1-CD 3.44Å; I1110-P1150 HydrophobicContact CD1-CG 3.71Å
1151	V	89	Confident	80.9	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.024	34%	0.339	C	S	.	.	S	Bend	trans	-133.6	162	-173.8	-65.1	0	0	0	0	112.4	K1107 K1130 V1131 S1149 I1175 E1177	K1107-V1151 HydrophobicContact CB-CG1 3.61Å; K1107-V1151 HydrophobicContact CD-CG1 4.12Å; K1130-V1151 CarbonylContact C-O 3.55Å; V1131-V1151 PolarHBondContact N-O 2.91Å; S1149-V1151 VanDerWaalsContact C-N 3.34Å; S1149-V1151 PolarHBondContact OG-N 3.24Å; S1149-V1151 PolarHBondContact OG-O 3.17Å; V1151-I1175 HydrophobicContact CG2-CB 4.26Å; V1151-I1175 HydrophobicContact CG2-CG2 3.98Å; V1151-E1177 HydrophobicContact CB-CG 4.24Å; V1151-E1177 HydrophobicContact CG1-CG 4.34Å; V1151-E1177 VanDerWaalsContact CG1-OE1 3.32Å; V1151-E1177 WeakPolarHBondContact CG1-OE1 3.42Å
1152	N	90.4	Very high	82.1	Confident	81 Å²	81	65.8 Å²	65.8	43%	0.433	34%	0.338	S	S	.	.	S	Bend	trans	-86.7	132.8	161.2	-60.2	-44.9	0	0	0	108.2	V1129 K1130 V1131 E1177 E1178	V1129-N1152 WeakPolarHBondContact O-CA 3.37Å; K1130-N1152 VanDerWaalsContact CA-OD1 3.22Å; K1130-N1152 WeakPolarHBondContact CA-OD1 3.27Å; V1131-N1152 PolarHBondContact N-OD1 2.91Å; N1152-E1177 WeakPolarHBondContact O-CA 3.47Å; N1152-E1178 PolarHBondContact O-N 2.93Å
1153	G	92	Very high	83.4	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-169.2	-176.3	0	0	0	0	0	114.6	R1128 V1129 E1176	R1128-G1153 WeakPolarHBondContact CA-O 3.34Å; V1129-G1153 PolarHBondContact N-O 3.48Å; V1129-G1153 PolarHBondContact O-N 3.04Å; G1153-E1176 CarbonylContact C-O 3.5Å; G1153-E1176 WeakPolarHBondContact CA-O 3.48Å
1154	V	92.8	Very high	84.9	Confident	45 Å²	45	61.3 Å²	61.3	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.2	176.5	-178.2	0	0	0	0	109.6	D1127 R1128 K1156 I1175 E1176	D1127-V1154 WeakPolarHBondContact O-CA 3.04Å; R1128-V1154 HydrophobicContact CG-CG2 3.96Å; V1154-K1156 PolarHBondContact O-N 3.46Å; V1154-K1156 VanDerWaalsContact O-N 3.1Å; V1154-I1175 CarbonylContact O-C 3.44Å; V1154-I1175 WeakPolarHBondContact O-CA 3.2Å; V1154-E1176 PolarHBondContact N-O 3.09Å; V1154-E1176 PolarHBondContact O-N 3.09Å
1155	V	92.4	Very high	85.4	Confident	1 Å²	1	61 Å²	61	1%	0.006	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	110.7	175.8	-179.9	0	0	0	0	109	V1123 K1124 V1125 G1126 D1127 V1129 I1158	V1123-V1155 HydrophobicContact CB-CG2 4.22Å; V1123-V1155 HydrophobicContact CG2-CG1 4.44Å; V1123-V1155 HydrophobicContact CG2-CG2 4.02Å; K1124-V1155 WeakPolarHBondContact O-CB 3.4Å; V1125-V1155 WeakPolarHBondContact CA-O 3.28Å; G1126-V1155 PolarHBondContact N-O 3.28Å; D1127-V1155 PolarHBondContact O-N 3.44Å; V1129-V1155 HydrophobicContact CG1-CG2 3.87Å; V1129-V1155 HydrophobicContact CG2-CG2 4.3Å; V1155-I1158 HydrophobicContact CG1-CD1 4.07Å; V1155-I1158 HydrophobicContact CG1-CG1 3.77Å
1156	K	91.8	Very high	85.6	Confident	106 Å²	106	57.3 Å²	57.3	46%	0.461	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-38.1	-172.2	-169.9	178.3	-172.9	117.3	0	112.4	V1125 V1154 E1174 E1176	V1125-K1156 WeakPolarHBondContact CG1-O 3.44Å; V1154-K1156 PolarHBondContact O-N 3.46Å; V1154-K1156 VanDerWaalsContact O-N 3.1Å; K1156-E1174 PolarHBondContact N-O 3.46Å; K1156-E1176 HydrophobicContact CB-CB 4.39Å; K1156-E1176 HydrophobicContact CD-CB 4.34Å; K1156-E1176 IonicContact NZ-OE1 2.7Å; K1156-E1176 PolarHBondContact NZ-OE1 3.2Å; K1156-E1176 IonicContact NZ-OE2 2.73Å; K1156-E1176 PolarHBondContact NZ-OE2 2.61Å
1157	T	90.6	Very high	85.3	Confident	47 Å²	47	57.4 Å²	57.4	29%	0.288	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	136.4	-173.8	-15.6	0	0	0	0	109.6	M1173 E1174	T1157-M1173 CarbonylContact O-C 3.55Å; T1157-M1173 WeakPolarHBondContact O-CA 3.41Å; T1157-M1173 WeakPolarHBondContact O-CB 3.29Å; T1157-E1174 VanDerWaalsContact CB-OE2 3.25Å; T1157-E1174 WeakPolarHBondContact CB-OE2 3.47Å; T1157-E1174 PolarHBondContact N-O 3.41Å; T1157-E1174 PolarHBondContact O-N 2.69Å; T1157-E1174 PolarHBondContact OG1-OE2 3.09Å
1158	I	89.8	Confident	84.8	Confident	47 Å²	47	58.1 Å²	58.1	24%	0.241	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.8	169.9	-60.4	172.6	0	0	0	106.9	I1121 V1123 V1125 V1155 T1160 M1173	I1121-I1158 HydrophobicContact CD1-CG2 3.95Å; I1121-I1158 HydrophobicContact CG2-CD1 4.29Å; I1121-I1158 HydrophobicContact CG2-CG2 4.46Å; V1123-I1158 HydrophobicContact CG2-CD1 4.47Å; V1123-I1158 VanDerWaalsContact O-CD1 3.29Å; V1123-I1158 WeakPolarHBondContact O-CD1 3.43Å; V1125-I1158 HydrophobicContact CG2-CB 4.29Å; V1125-I1158 HydrophobicContact CG2-CD1 4.16Å; V1125-I1158 HydrophobicContact CG2-CG1 3.92Å; V1155-I1158 HydrophobicContact CG1-CD1 4.07Å; V1155-I1158 HydrophobicContact CG1-CG1 3.77Å; I1158-T1160 HydrophobicContact CG2-CG2 4.46Å; I1158-M1173 HydrophobicContact CG1-CB 4.11Å
1159	V	85.8	Confident	84.3	Confident	63 Å²	63	54.7 Å²	54.7	38%	0.382	30%	0.3	S	S	.	.			trans	-113	-29.3	-169	-175	0	0	0	0	111.5	L1171 L1172	V1159-L1171 HydrophobicContact CB-CG 4.49Å; V1159-L1171 HydrophobicContact CG2-CD2 3.96Å; V1159-L1171 HydrophobicContact CG2-CG 4.06Å; V1159-L1172 PolarHBondContact N-O 2.77Å
1160	T	82.9	Confident	84	Confident	16 Å²	16	55 Å²	55	10%	0.098	30%	0.302	C	S	.	.			trans	-84.2	161.2	172.8	-175.8	0	0	0	0	112.6	V1118 I1121 I1158 S1164 L1172	V1118-T1160 HydrophobicContact CG1-CG2 4.41Å; V1118-T1160 WeakPolarHBondContact CG2-OG1 3.3Å; I1121-T1160 HydrophobicContact CD1-CG2 3.76Å; I1121-T1160 WeakPolarHBondContact CD1-O 3.42Å; I1121-T1160 HydrophobicContact CG1-CG2 4.37Å; I1158-T1160 HydrophobicContact CG2-CG2 4.46Å; T1160-S1164 PolarHBondContact OG1-OG 3.02Å; T1160-L1172 HydrophobicContact CG2-CB 4Å; T1160-L1172 HydrophobicContact CG2-CD2 3.84Å; T1160-L1172 PolarHBondContact N-O 2.56Å
1161	Q	80.3	Confident	84.1	Confident	143 Å²	143	52.3 Å²	52.3	67%	0.668	28%	0.284	S	S	*	.			trans	-125.2	156.1	168.9	-65.8	-169.3	7.9	0	0	111	S1164	Q1161-S1164 PolarHBondContact N-OG 2.93Å; Q1161-S1164 VanDerWaalsContact O-CB 3.25Å; Q1161-S1164 WeakPolarHBondContact O-CB 3.46Å; Q1161-S1164 PolarHBondContact O-N 2.96Å; Q1161-S1164 VanDerWaalsContact O-N 3.08Å; Q1161-S1164 PolarHBondContact O-OG 3.23Å
1162	P	81.3	Confident	84.1	Confident	72 Å²	72	52.1 Å²	52.1	47%	0.468	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	144.5	170.2	-23.2	34.8	0	0	0	111.9	V1118 I1121 S1164	V1118-P1162 CarbonylContact O-C 3.54Å; V1118-P1162 WeakPolarHBondContact O-CA 3.41Å; I1121-P1162 HydrophobicContact CD1-CG 4.37Å; I1121-P1162 HydrophobicContact CG1-CG 4.38Å; P1162-S1164 PolarHBondContact O-N 3.23Å
1163	N	76.2	Confident	84.1	Confident	137 Å²	137	48.3 Å²	48.3	73%	0.733	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	16.1	-170.3	-55.5	-48.3	0	0	0	115.3	V1118	V1118-N1163 PolarHBondContact O-N 3.46Å
1164	S	79.1	Confident	84.1	Confident	38 Å²	38	51 Å²	51	27%	0.266	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	135.5	169.5	76.3	0	0	0	0	111.5	V1118 T1160 Q1161 P1162	V1118-S1164 PolarHBondContact N-O 2.91Å; T1160-S1164 PolarHBondContact OG1-OG 3.02Å; Q1161-S1164 PolarHBondContact N-OG 2.93Å; Q1161-S1164 VanDerWaalsContact O-CB 3.25Å; Q1161-S1164 WeakPolarHBondContact O-CB 3.46Å; Q1161-S1164 PolarHBondContact O-N 2.96Å; Q1161-S1164 VanDerWaalsContact O-N 3.08Å; Q1161-S1164 PolarHBondContact O-OG 3.23Å; P1162-S1164 PolarHBondContact O-N 3.23Å
1165	R	76.4	Confident	84	Confident	137 Å²	137	49.3 Å²	49.3	52%	0.517	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.8	176.4	-166.9	164.4	179.1	167.3	3.4	110.2	Y418 K1099 G1116 D1117	Y418-R1165 PolarHBondContact OH-NH2 3.14Å; K1099-R1165 PolarHBondContact NZ-O 3.34Å; G1116-R1165 CarbonylContact O-C 3.49Å; G1116-R1165 WeakPolarHBondContact O-CA 3.35Å; D1117-R1165 WeakPolarHBondContact OD1-CA 3.36Å; D1117-R1165 WeakPolarHBondContact OD1-CB 3.32Å; D1117-R1165 VanDerWaalsContact OD1-CG 3.24Å; D1117-R1165 WeakPolarHBondContact OD1-CG 3.29Å
1166	C	76	Confident	83.9	Confident	5 Å²	5	54.4 Å²	54.4	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	143.5	176.4	56.7	0	0	0	0	111	A1112 P1115 G1116 V1118 D1170	A1112-C1166 HydrophobicContact CB-CB 4.04Å; P1115-C1166 CarbonylContact C-O 3.56Å; P1115-C1166 VanDerWaalsContact CA-O 3.3Å; P1115-C1166 WeakPolarHBondContact CA-O 3.45Å; G1116-C1166 PolarHBondContact N-O 3.48Å; G1116-C1166 PolarHBondContact O-N 2.86Å; G1116-C1166 PolarHBondContact O-SG 3.42Å; V1118-C1166 HydrophobicContact CG2-CB 4.43Å; C1166-D1170 HydrophobicContact CB-CB 4.22Å
1167	D	76.2	Confident	83.5	Confident	77 Å²	77	54.2 Å²	54.2	41%	0.412	29%	0.289	S	S	.	.			trans	-93.6	161.7	169.5	-69.5	-56	0	0	0	110.9	G1169 D1170	D1167-G1169 PolarHBondContact O-N 2.87Å; D1167-D1170 PolarHBondContact N-OD2 3.01Å; D1167-D1170 VanDerWaalsContact O-CB 3.31Å; D1167-D1170 WeakPolarHBondContact O-CB 3.35Å; D1167-D1170 PolarHBondContact O-N 3.22Å
1168	A	74	Confident	82.8	Confident	31 Å²	31	56.3 Å²	56.3	26%	0.256	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	126.6	177.6	0	0	0	0	0	111.4	R1101 P1115	R1101-A1168 PolarHBondContact NH2-O 3.23Å; P1115-A1168 HydrophobicContact CG-CB 4.19Å
1169	G	78.3	Confident	81.1	Confident	28 Å²	28	63.5 Å²	63.5	29%	0.289	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.6	-5.8	-176.5	0	0	0	0	0	115.7	R1101 A1102 A1112 D1167	R1101-G1169 CarbonylContact C-O 3.55Å; R1101-G1169 VanDerWaalsContact CA-O 3.22Å; R1101-G1169 WeakPolarHBondContact CA-O 3.39Å; R1101-G1169 VanDerWaalsContact CB-O 3.27Å; R1101-G1169 WeakPolarHBondContact CB-O 3.26Å; R1101-G1169 WeakPolarHBondContact CG-O 3.08Å; A1102-G1169 PolarHBondContact N-O 2.85Å; A1112-G1169 PolarHBondContact O-N 3.02Å; D1167-G1169 PolarHBondContact O-N 2.87Å
1170	D	82.6	Confident	79.1	Confident	10 Å²	10	65.1 Å²	65.1	5%	0.053	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-61.1	136.1	172.9	-74.4	-1.1	0	0	0	110.5	K1099 R1101 G1111 A1112 C1166 D1167 L1172	K1099-D1170 WeakPolarHBondContact CD-OD2 3.3Å; K1099-D1170 IonicContact NZ-OD2 2.82Å; K1099-D1170 PolarHBondContact NZ-OD2 3.33Å; R1101-D1170 IonicContact NE-OD1 3.74Å; R1101-D1170 PolarHBondContact NE-OD1 3.16Å; R1101-D1170 IonicContact NH2-OD1 3.91Å; G1111-D1170 CarbonylContact C-O 3.17Å; G1111-D1170 VanDerWaalsContact CA-O 3.32Å; G1111-D1170 WeakPolarHBondContact CA-O 3.47Å; A1112-D1170 PolarHBondContact N-O 3.18Å; C1166-D1170 HydrophobicContact CB-CB 4.22Å; D1167-D1170 PolarHBondContact N-OD2 3.01Å; D1167-D1170 VanDerWaalsContact O-CB 3.31Å; D1167-D1170 WeakPolarHBondContact O-CB 3.35Å; D1167-D1170 PolarHBondContact O-N 3.22Å; D1170-L1172 PolarHBondContact O-N 3.43Å
1171	L	88.2	Confident	76.7	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.052	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	118.5	-179.2	179.5	60.5	0	0	0	110.1	R1100 A1102 V1159 M1173 E1174	R1100-L1171 HydrophobicContact CB-CB 4.04Å; R1100-L1171 HydrophobicContact CB-CD2 3.93Å; R1100-L1171 WeakPolarHBondContact O-CB 3.48Å; R1100-L1171 PolarHBondContact O-N 3.49Å; A1102-L1171 HydrophobicContact CB-CD1 4.15Å; V1159-L1171 HydrophobicContact CB-CG 4.49Å; V1159-L1171 HydrophobicContact CG2-CD2 3.96Å; V1159-L1171 HydrophobicContact CG2-CG 4.06Å; L1171-M1173 WeakPolarHBondContact CD1-O 3.34Å; L1171-E1174 HydrophobicContact CD1-CG 4.1Å; L1171-E1174 HydrophobicContact CD2-CG 4.01Å
1172	L	88.1	Confident	74.3	Confident	1 Å²	1	69 Å²	69	1%	0.005	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	-51.6	173.1	-58.2	171.8	0	0	0	110.3	I1110 A1112 V1118 I1138 I1147 V1159 T1160 D1170	I1110-L1172 HydrophobicContact CG2-CD1 4.33Å; I1110-L1172 WeakPolarHBondContact O-CB 3.42Å; I1110-L1172 PolarHBondContact O-N 3.06Å; A1112-L1172 HydrophobicContact CB-CD1 4.41Å; A1112-L1172 HydrophobicContact CB-CD2 4.05Å; A1112-L1172 HydrophobicContact CB-CG 4.21Å; V1118-L1172 HydrophobicContact CG2-CD2 4.04Å; I1138-L1172 HydrophobicContact CD1-CD1 4.04Å; I1138-L1172 HydrophobicContact CD1-CD2 4.37Å; I1147-L1172 HydrophobicContact CG1-CD1 4.14Å; I1147-L1172 HydrophobicContact CG2-CD1 4.33Å; V1159-L1172 PolarHBondContact N-O 2.77Å; T1160-L1172 HydrophobicContact CG2-CB 4Å; T1160-L1172 HydrophobicContact CG2-CD2 3.84Å; T1160-L1172 PolarHBondContact N-O 2.56Å; D1170-L1172 PolarHBondContact O-N 3.43Å
1173	M	91.1	Very high	71.9	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	158.6	-175.6	60.2	-174.4	76.2	0	0	112.5	I1110 I1121 V1123 L1135 A1136 T1157 I1158 L1171	I1110-M1173 HydrophobicContact CB-CG 3.87Å; I1110-M1173 WeakPolarHBondContact CB-O 3.18Å; I1110-M1173 HydrophobicContact CG1-CG 3.91Å; I1110-M1173 HydrophobicContact CG2-CG 4.48Å; I1110-M1173 PolarHBondContact N-O 3.16Å; I1110-M1173 PolarHBondContact O-N 2.96Å; I1121-M1173 HydrophobicContact CG2-CE 4.03Å; V1123-M1173 HydrophobicContact CG2-CE 3.99Å; V1123-M1173 HydrophobicContact CG2-SD 3.76Å; L1135-M1173 HydrophobicContact CB-CE 3.97Å; L1135-M1173 HydrophobicContact CB-SD 3.82Å; L1135-M1173 HydrophobicContact CD1-SD 3.95Å; L1135-M1173 HydrophobicContact CD2-SD 4.07Å; L1135-M1173 HydrophobicContact CG-SD 4.17Å; A1136-M1173 HydrophobicContact CB-CE 4.29Å; T1157-M1173 CarbonylContact O-C 3.55Å; T1157-M1173 WeakPolarHBondContact O-CA 3.41Å; T1157-M1173 WeakPolarHBondContact O-CB 3.29Å; I1158-M1173 HydrophobicContact CG1-CB 4.11Å; L1171-M1173 WeakPolarHBondContact CD1-O 3.34Å
1174	E	92.5	Very high	71.7	Confident	57 Å²	57	71.8 Å²	71.8	27%	0.266	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.3	174.5	-63.5	169.7	123.3	0	0	109.8	G1108 K1156 T1157 L1171	G1108-E1174 CarbonylContact O-C 3.46Å; G1108-E1174 WeakPolarHBondContact O-CA 3.45Å; K1156-E1174 PolarHBondContact N-O 3.46Å; T1157-E1174 VanDerWaalsContact CB-OE2 3.25Å; T1157-E1174 WeakPolarHBondContact CB-OE2 3.47Å; T1157-E1174 PolarHBondContact N-O 3.41Å; T1157-E1174 PolarHBondContact O-N 2.69Å; T1157-E1174 PolarHBondContact OG1-OE2 3.09Å; L1171-E1174 HydrophobicContact CD1-CG 4.1Å; L1171-E1174 HydrophobicContact CD2-CG 4.01Å
1175	I	90.6	Very high	71.3	Confident	9 Å²	9	73.6 Å²	73.6	5%	0.046	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.1	179	-50.1	178.1	0	0	0	108.2	G1108 I1110 V1129 L1135 V1151 V1154 E1177	G1108-I1175 WeakPolarHBondContact CA-O 3.45Å; G1108-I1175 PolarHBondContact O-N 3.47Å; I1110-I1175 HydrophobicContact CD1-CD1 3.89Å; I1110-I1175 HydrophobicContact CD1-CG1 4.47Å; I1110-I1175 HydrophobicContact CG1-CD1 3.75Å; I1110-I1175 HydrophobicContact CG1-CG1 4.07Å; V1129-I1175 HydrophobicContact CG2-CD1 4.09Å; V1129-I1175 HydrophobicContact CG2-CG2 3.87Å; L1135-I1175 HydrophobicContact CD1-CD1 3.81Å; L1135-I1175 HydrophobicContact CD2-CD1 4.23Å; V1151-I1175 HydrophobicContact CG2-CB 4.26Å; V1151-I1175 HydrophobicContact CG2-CG2 3.98Å; V1154-I1175 CarbonylContact O-C 3.44Å; V1154-I1175 WeakPolarHBondContact O-CA 3.2Å; I1175-E1177 PolarHBondContact O-N 3.45Å
1176	E	90.2	Very high	71.1	Confident	109 Å²	109	70.1 Å²	70.1	51%	0.509	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	107.9	173.8	-168.3	139	-122.8	0	0	108.9	G1153 V1154 K1156 E1178	G1153-E1176 CarbonylContact C-O 3.5Å; G1153-E1176 WeakPolarHBondContact CA-O 3.48Å; V1154-E1176 PolarHBondContact N-O 3.09Å; V1154-E1176 PolarHBondContact O-N 3.09Å; K1156-E1176 HydrophobicContact CB-CB 4.39Å; K1156-E1176 HydrophobicContact CD-CB 4.34Å; K1156-E1176 IonicContact NZ-OE1 2.7Å; K1156-E1176 PolarHBondContact NZ-OE1 3.2Å; K1156-E1176 IonicContact NZ-OE2 2.73Å; K1156-E1176 PolarHBondContact NZ-OE2 2.61Å; E1176-E1178 PolarHBondContact O-N 3.01Å
1177	E	84.3	Confident	70.8	Confident	102 Å²	102	73.9 Å²	73.9	48%	0.477	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	126.1	-176.3	-175.2	170.2	-139.6	0	0	111	V1151 N1152 I1175 K1179	V1151-E1177 HydrophobicContact CB-CG 4.24Å; V1151-E1177 HydrophobicContact CG1-CG 4.34Å; V1151-E1177 VanDerWaalsContact CG1-OE1 3.32Å; V1151-E1177 WeakPolarHBondContact CG1-OE1 3.42Å; N1152-E1177 WeakPolarHBondContact O-CA 3.47Å; I1175-E1177 PolarHBondContact O-N 3.45Å; E1177-K1179 PolarHBondContact O-N 2.9Å
1178	E	74.2	Confident	70.4	Confident	91 Å²	91	73.7 Å²	73.7	43%	0.425	42%	0.418	S	S	.	.			trans	-71.9	100.1	173.3	-87.6	-164.7	120.9	0	0	109.5	R1128 N1152 E1176 S1180	R1128-E1178 IonicContact CZ-OE1 2.78Å; R1128-E1178 IonicContact CZ-OE2 2.64Å; R1128-E1178 IonicContact NH1-OE1 3.54Å; R1128-E1178 PolarHBondContact NH1-OE1 2.89Å; R1128-E1178 IonicContact NH1-OE2 2.68Å; R1128-E1178 PolarHBondContact NH1-OE2 3.29Å; R1128-E1178 IonicContact NH2-OE1 3.2Å; R1128-E1178 PolarHBondContact NH2-OE1 3.41Å; R1128-E1178 IonicContact NH2-OE2 2.8Å; N1152-E1178 PolarHBondContact O-N 2.93Å; E1176-E1178 PolarHBondContact O-N 3.01Å; E1178-S1180 PolarHBondContact O-N 2.71Å
1179	K	54.7	Low	70.2	Confident	198 Å²	198	76.5 Å²	76.5	86%	0.861	43%	0.429	S	S	*	.			trans	-55.5	113.6	169	-68.4	-174.8	177.5	-177.5	0	109.1	E1177 S1181	E1177-K1179 PolarHBondContact O-N 2.9Å; K1179-S1181 PolarHBondContact O-N 3.17Å
1180	S	43.3	Very low	69.6	Low	97 Å²	97	80 Å²	80	68%	0.678	44%	0.439	S	S	*	.			trans	-57.6	123.7	174.2	52.8	0	0	0	0	110	E1178 T1182	E1178-S1180 PolarHBondContact O-N 2.71Å; S1180-T1182 PolarHBondContact O-N 2.79Å
1181	S	32.5	Very low	68.6	Low	109 Å²	109	85.4 Å²	85.4	76%	0.762	47%	0.468	S	S	*	.			trans	-76.1	60.5	177.4	60.5	0	0	0	0	111.9	K1179 T1183	K1179-S1181 PolarHBondContact O-N 3.17Å; S1181-T1183 VanDerWaalsContact C-N 3.3Å; S1181-T1183 PolarHBondContact O-N 3.45Å; S1181-T1183 PolarHBondContact O-OG1 3.21Å
1182	T	30.9	Very low	67	Low	130 Å²	130	91.7 Å²	91.7	80%	0.798	50%	0.503	S	S	*	.			trans	-66	97.7	154.2	43.3	0	0	0	0	107	S1180	S1180-T1182 PolarHBondContact O-N 2.79Å
1183	T	31.4	Very low	65	Low	197 Å²	197	99.9 Å²	99.9	100%	1.209	55%	0.548	S	S	*	.			trans	-95	0	176.9	-38.9	0	0	0	0	108.8	S1181	S1181-T1183 VanDerWaalsContact C-N 3.3Å; S1181-T1183 PolarHBondContact O-N 3.45Å; S1181-T1183 PolarHBondContact O-OG1 3.21Å

Retrieved 1,183 of 1,183 residues in 1421.6 ms (Link to these results)

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