A0A077ZDI4_TRITR Loading...

Voltage dependent calcium channel unc 36

AlphaFold DB , UniProt , Accession A0A077ZDI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,153 aa.

						>A0A077ZDI4_TRITR|A0A077ZDI4
MLLDNGAMSICWFVLCIACFSSAQIYRGRGSDISCSVDSWARSFGSELYATASQATQAEGLERKYKEHNVHVEMFDPEEVIEIMKSRLEAFLGRRRQLAEAILNRSASFAKLVFQILKESLESSYGLFHEVDRSVINDLNSKDFYRFVNAKSCLNRHHIDPLLVNSSIDIQYTPNPNFLNLPVNIEKSAVHVPTPVYSREPELLSEIIWTESLDEIFKARRAREFFAASWQYFCSQKGFMRFYPASPWFYDDEQTCLDMYDCRNSEWYIDAATHAKNIVILLDVSGSMLGQRYEIAKQTIEMIMETLTENDFFNILAFSDEPRFVLPCFRGRLVQATIRNKKLLRAKLDNITSEGIANYPAALRMAFEVVVEARESQKNAGCHSAIMLITDGATDTYEEIFNHYNKDKSIRFFSYLIGDDVTEFREVRWMACYNRGYFAHISNLADVQEKVQSYITIMSRPVAGRNHTEPVWTGAYFDQLGHILVATVAFPVIANESFRGVVGASALITELQQMAPSYMLGANAYSFIVDNNGYVVHHPQLRSLHMGKPKPHYNSMDIMELEVLADNALVSMRIDVSFISLVVYFKDNGTVETPVDYDNQLRRYLADGISSKGLQAKMSQNVVMAMDGADSLRRVYTQKNVYFHRGIKNTLMTLALAVPEEAVYRIDTSNSGASPPHQRINFNWFRGKNWKLHPDWHYCRLNDSDTGMTKEEAFVIYMRQHCRKHADVYSYLGAQFEYLIHRLLLDMEVTSDMEFLWAQKGQIDQSKGIHMAFLATHSGLTRFLTTGLDDILYQPERDDEANSTDSAEIVMSNKYLYVPFATRYPRALDEVFYKRALQFVNGEFVFDVKTDQYLYIRNGSQRYPLAADRKSLVVSAARAVFARDDRGHTAPASVVGIEMLYTSFEEMMYNASQRLCRPRSAVRCYLLDEHGYVVYASIPAGSDESFRYLGEFFGALKVEPPVNGAIERFLMRQMVDKFVYRDFVVELKPWVALLAMFRSVSPYTPTFRDIQEGLPCDKASSFYLLNNDFRGPLMLAQGKQMCSSSISGDSFAQVIYCNLHAYVTRIQRTNMVLLVYSSDGNQCDDELCKQYFSAHSVPWGFHLVYNASDKVIHPSNCMLTSRYRRSPSVCYTVEDDVQNERIHWLLAQLVPDM
					

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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	33.1	Very low	33.7	Very low	238 Å²	238	146.2 Å²	146.2	100%	1.172	85%	0.851	S	S	*	*				0	117	0	-95.4	172	164.8	0	0	106.2
2	L	35	Very low	33.8	Very low	159 Å²	159	153.4 Å²	153.4	83%	0.832	85%	0.854	S	S	*	*			trans	24.9	138.1	152.5	-54.8	155.1	0	0	0	118.1
3	L	33.6	Very low	34	Very low	135 Å²	135	156.2 Å²	156.2	71%	0.707	85%	0.852	S	S	*	*			cis	-176	161.8	-4.5	-114.6	163.6	0	0	0	105
4	D	34.9	Very low	34.5	Very low	134 Å²	134	155.1 Å²	155.1	72%	0.717	85%	0.852	S	S	*	*			trans	82.8	137.9	158.3	-66	-20.8	0	0	0	123.6
5	N	38.4	Very low	34.6	Very low	169 Å²	169	156.1 Å²	156.1	90%	0.904	86%	0.855	S	S	*	*			trans	87.3	119	174.3	-52.3	-37.2	0	0	0	115.2
6	G	32.7	Very low	34.6	Very low	74 Å²	74	154.1 Å²	154.1	76%	0.763	85%	0.853	S	S	*	*			cis	134.7	94.1	19.2	0	0	0	0	0	108.4
7	A	30.8	Very low	34.9	Very low	101 Å²	101	154.3 Å²	154.3	84%	0.835	85%	0.851	S	S	*	*			trans	47.7	88.8	159.3	0	0	0	0	0	119.4
8	M	31.7	Very low	35	Very low	194 Å²	194	151.2 Å²	151.2	96%	0.956	85%	0.849	S	S	*	*			trans	-162.1	100.4	149.7	-95.6	-114.8	-76.7	0	0	108.9
9	S	32.1	Very low	34.9	Very low	107 Å²	107	150.1 Å²	150.1	75%	0.748	85%	0.851	S	S	*	*			trans	166.8	79.6	154.3	177.6	0	0	0	0	111.6
10	I	34.6	Very low	34.8	Very low	170 Å²	170	152.4 Å²	152.4	87%	0.872	85%	0.851	S	S	*	*	S	Bend	trans	-133.5	-0.8	160.7	-58.3	-178.5	0	0	0	112.6
11	C	33.6	Very low	34.5	Very low	127 Å²	127	150.6 Å²	150.6	86%	0.858	85%	0.849	S	S	*	*	S	Bend	trans	-109	31.2	-175.2	-115.7	0	0	0	0	115.4
12	W	34.6	Very low	34.6	Very low	233 Å²	233	145 Å²	145	88%	0.883	83%	0.833	S	S	*	*	S	Bend	trans	-118.6	9.4	-175.8	-104	64.6	0	0	0	116
13	F	37.4	Very low	34.4	Very low	190 Å²	190	141.9 Å²	141.9	83%	0.833	83%	0.83	S	S	*	*	S	Bend	trans	-126.3	5.3	-176	-103.4	-87	0	0	0	116.7
14	V	40.1	Very low	34.2	Very low	140 Å²	140	144 Å²	144	85%	0.848	84%	0.837	S	S	*	*	S	Bend	trans	-114.5	-6.8	-176.2	-178	0	0	0	0	114.2
15	L	36	Very low	34	Very low	170 Å²	170	145.4 Å²	145.4	89%	0.89	84%	0.842	S	S	*	*	S	Bend	trans	-105.3	3.8	-175.6	-111.2	114.9	0	0	0	116.5
16	C	34.7	Very low	33.5	Very low	124 Å²	124	148.5 Å²	148.5	84%	0.838	84%	0.843	S	S	*	*	S	Bend	trans	-107.3	10	-174.3	-77	0	0	0	0	116.2
17	I	39.4	Very low	33.2	Very low	158 Å²	158	156.9 Å²	156.9	81%	0.81	85%	0.851	S	S	*	*	S	Bend	trans	-119.6	1	-172.5	-59.5	179.3	0	0	0	114.1
18	A	37.1	Very low	33	Very low	99 Å²	99	155.7 Å²	155.7	82%	0.818	85%	0.849	S	S	*	*	S	Bend	trans	-109.8	9.5	-171.8	0	0	0	0	0	117.4
19	C	34.2	Very low	33	Very low	130 Å²	130	154.4 Å²	154.4	88%	0.878	83%	0.834	S	S	*	*	S	Bend	trans	-122.3	13.3	-176.7	-93.8	0	0	0	0	116.1
20	F	31.3	Very low	33.3	Very low	196 Å²	196	150.8 Å²	150.8	86%	0.86	81%	0.813	S	S	*	*	S	Bend	trans	-113.3	134.4	166.3	-87.7	-94.8	0	0	0	108.3
21	S	30.3	Very low	33.6	Very low	115 Å²	115	146.5 Å²	146.5	80%	0.804	80%	0.798	S	S	*	*			trans	91.6	86.2	178.2	-22.3	0	0	0	0	116
22	S	33.8	Very low	34.5	Very low	121 Å²	121	144 Å²	144	85%	0.846	78%	0.776	S	S	*	*				178.7	98.8	126.9	27	0	0	0	0	110.9
23	A	30.6	Very low	35.7	Very low	93 Å²	93	136.1 Å²	136.1	77%	0.769	75%	0.75	S	S	*	*			trans	-63.7	152.5	153.2	0	0	0	0	0	109.5
24	Q	30.1	Very low	36.8	Very low	180 Å²	180	128.7 Å²	128.7	84%	0.841	72%	0.722	S	S	*	*			trans	74.4	109.1	174.6	-54.8	-177.7	-26.6	0	0	115.3
25	I	30	Very low	37.8	Very low	162 Å²	162	126.4 Å²	126.4	83%	0.831	71%	0.712	S	S	*	*				174.7	92.9	123.6	-80.5	149	0	0	0	106.9	R27	I25-R27 PolarHBondContact O-N 3.41Å
26	Y	29.1	Very low	39.9	Very low	235 Å²	235	120.3 Å²	120.3	92%	0.922	68%	0.683	S	S	*	*			trans	-76.8	105.6	162.9	-95.3	-96.2	0	0	0	107.5
27	R	26.2	Very low	42.3	Very low	249 Å²	249	114.4 Å²	114.4	94%	0.94	64%	0.643	S	S	*	*			trans	174.4	109.5	147.9	-98.8	162.3	-174.4	-176	2.6	110	I25	I25-R27 PolarHBondContact O-N 3.41Å
28	G	27.2	Very low	44.5	Very low	76 Å²	76	108 Å²	108	78%	0.784	61%	0.611	S	S	*	*			trans	110	71.9	156.6	0	0	0	0	0	116.1
29	R	31	Very low	46.9	Very low	168 Å²	168	106.4 Å²	106.4	63%	0.634	59%	0.593	S	S	*	*			trans	-153	102.4	166.3	-85.7	-170	-179.7	168.6	-2.5	112.4	D32	R29-D32 HydrophobicContact CB-CB 4.05Å; R29-D32 WeakPolarHBondContact CD-OD1 3.36Å; R29-D32 WeakPolarHBondContact CD-OD2 3.29Å; R29-D32 IonicContact CZ-OD1 3.86Å; R29-D32 IonicContact CZ-OD2 3.57Å; R29-D32 IonicContact NE-OD1 3.97Å; R29-D32 IonicContact NE-OD2 3.67Å; R29-D32 IonicContact NH1-OD1 3.28Å; R29-D32 PolarHBondContact NH1-OD1 3.44Å; R29-D32 IonicContact NH1-OD2 2.71Å; R29-D32 PolarHBondContact NH1-OD2 3.28Å
30	G	37.9	Very low	49.6	Very low	30 Å²	30	100.7 Å²	100.7	31%	0.309	55%	0.553	S	S	.	*	S	Bend	trans	-80	-2.1	160.7	0	0	0	0	0	113.4	Y1062	G30-Y1062 PolarHBondContact O-OH 2.64Å
31	S	42	Very low	52.4	Low	80 Å²	80	91.4 Å²	91.4	56%	0.559	51%	0.513	S	S	*	.	S	Bend	trans	-100.6	-13.7	-178.5	61.7	0	0	0	0	114.5	S34	S31-S34 PolarHBondContact O-OG 2.71Å
32	D	50.8	Low	55.2	Low	75 Å²	75	92.7 Å²	92.7	40%	0.401	50%	0.5	S	S	.	.	H	α-helix	trans	-85.5	-24.6	-178.6	-100.8	7.3	0	0	0	113.5	R29 S36	R29-D32 HydrophobicContact CB-CB 4.05Å; R29-D32 WeakPolarHBondContact CD-OD1 3.36Å; R29-D32 WeakPolarHBondContact CD-OD2 3.29Å; R29-D32 IonicContact CZ-OD1 3.86Å; R29-D32 IonicContact CZ-OD2 3.57Å; R29-D32 IonicContact NE-OD1 3.97Å; R29-D32 IonicContact NE-OD2 3.67Å; R29-D32 IonicContact NH1-OD1 3.28Å; R29-D32 PolarHBondContact NH1-OD1 3.44Å; R29-D32 IonicContact NH1-OD2 2.71Å; R29-D32 PolarHBondContact NH1-OD2 3.28Å; D32-S36 PolarHBondContact O-N 3.1Å; D32-S36 PolarHBondContact O-OG 3.5Å
33	I	60.9	Low	58	Low	67 Å²	67	89.3 Å²	89.3	34%	0.344	48%	0.477	S	S	.	.	H	α-helix	trans	-73.5	-34.5	-174.5	-62	172.5	0	0	0	110.9	S36 V37 Y1062	I33-S36 WeakPolarHBondContact O-CB 3.29Å; I33-S36 PolarHBondContact O-N 3Å; I33-S36 VanDerWaalsContact O-N 3.14Å; I33-V37 HydrophobicContact CG2-CG2 3.95Å; I33-V37 WeakPolarHBondContact O-CG2 3.36Å; I33-V37 PolarHBondContact O-N 2.97Å; I33-Y1062 HydrophobicContact CB-CE2 4.09Å; I33-Y1062 HydrophobicContact CG2-CD2 3.99Å; I33-Y1062 HydrophobicContact CG2-CE2 3.84Å
34	S	59.3	Low	60.9	Low	34 Å²	34	85 Å²	85	24%	0.238	44%	0.44	C	S	.	.	H	α-helix	trans	-63.3	-46	-178.1	59.4	0	0	0	0	113.1	S31 S36 V37 D38	S31-S34 PolarHBondContact O-OG 2.71Å; S34-S36 PolarHBondContact O-N 2.91Å; S34-V37 PolarHBondContact O-N 3.4Å; S34-D38 PolarHBondContact O-N 3.33Å
35	C	62.2	Low	63.9	Low	93 Å²	93	76.5 Å²	76.5	63%	0.628	40%	0.402	S	S	*	.	H	α-helix	trans	-62	-35.2	174.5	-69.4	0	0	0	0	111.6	S39	C35-S39 WeakPolarHBondContact O-CB 3.08Å; C35-S39 PolarHBondContact O-N 3.39Å; C35-S39 VanDerWaalsContact O-N 3.13Å
36	S	80.4	Confident	66.8	Low	42 Å²	42	72.2 Å²	72.2	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-67.8	-46.2	177.9	-54.5	0	0	0	0	111.4	D32 I33 S34 D38 S39 W40	D32-S36 PolarHBondContact O-N 3.1Å; D32-S36 PolarHBondContact O-OG 3.5Å; I33-S36 WeakPolarHBondContact O-CB 3.29Å; I33-S36 PolarHBondContact O-N 3Å; I33-S36 VanDerWaalsContact O-N 3.14Å; S34-S36 PolarHBondContact O-N 2.91Å; S36-D38 PolarHBondContact O-N 3.06Å; S36-S39 WeakPolarHBondContact O-CB 3.26Å; S36-S39 PolarHBondContact O-N 3.35Å; S36-W40 PolarHBondContact O-N 3.33Å; S36-W40 PolarHBondContact O-NE1 2.92Å
37	V	84.2	Confident	69.8	Low	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.8	-41.9	-179.2	173.8	0	0	0	0	112	I33 S34 W40 A41 T1064 L1073 V1075	I33-V37 HydrophobicContact CG2-CG2 3.95Å; I33-V37 WeakPolarHBondContact O-CG2 3.36Å; I33-V37 PolarHBondContact O-N 2.97Å; S34-V37 PolarHBondContact O-N 3.4Å; V37-W40 HydrophobicContact CG2-CE3 4.19Å; V37-W40 HydrophobicContact CG2-CZ3 4.03Å; V37-W40 PolarHBondContact O-N 3.14Å; V37-A41 PolarHBondContact O-N 3.44Å; V37-T1064 HydrophobicContact CG1-CG2 3.9Å; V37-L1073 HydrophobicContact CG1-CD2 4.06Å; V37-V1075 HydrophobicContact CG1-CB 4.46Å; V37-V1075 HydrophobicContact CG1-CG2 4.01Å; V37-V1075 HydrophobicContact CG2-CB 4.09Å; V37-V1075 HydrophobicContact CG2-CG1 4.27Å; V37-V1075 HydrophobicContact CG2-CG2 4.15Å
38	D	85.4	Confident	73	Confident	24 Å²	24	51.9 Å²	51.9	13%	0.128	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-39.3	175.3	-174	49.4	0	0	0	111.9	S34 S36 W40 A41 R42 P1032	S34-D38 PolarHBondContact O-N 3.33Å; S36-D38 PolarHBondContact O-N 3.06Å; D38-W40 VanDerWaalsContact C-N 3.34Å; D38-W40 PolarHBondContact O-N 3.42Å; D38-A41 PolarHBondContact O-N 3.27Å; D38-R42 WeakPolarHBondContact O-CG 3.41Å; D38-R42 PolarHBondContact O-N 2.85Å; D38-R42 IonicContact OD1-NE 3.05Å; D38-R42 IonicContact OD2-CZ 3.03Å; D38-R42 IonicContact OD2-NE 2.66Å; D38-R42 PolarHBondContact OD2-NE 3.2Å; D38-R42 IonicContact OD2-NH2 2.76Å; D38-R42 PolarHBondContact OD2-NH2 3.17Å; D38-P1032 HydrophobicContact CB-CB 4.3Å; D38-P1032 HydrophobicContact CB-CG 3.93Å
39	S	88.7	Confident	76.1	Confident	64 Å²	64	49.6 Å²	49.6	45%	0.448	28%	0.278	S	S	.	.	H	α-helix	trans	-62	-40.3	172.7	-173.3	0	0	0	0	112.3	C35 S36 S43	C35-S39 WeakPolarHBondContact O-CB 3.08Å; C35-S39 PolarHBondContact O-N 3.39Å; C35-S39 VanDerWaalsContact O-N 3.13Å; S36-S39 WeakPolarHBondContact O-CB 3.26Å; S36-S39 PolarHBondContact O-N 3.35Å; S39-S43 WeakPolarHBondContact O-CB 2.95Å; S39-S43 PolarHBondContact O-N 3.05Å
40	W	90.3	Very high	79	Confident	10 Å²	10	44 Å²	44	4%	0.038	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-45.6	176.3	-56.4	-17.6	0	0	0	111.1	S36 V37 D38 R42 S43 F44 A911 L915 V1075	S36-W40 PolarHBondContact O-N 3.33Å; S36-W40 PolarHBondContact O-NE1 2.92Å; V37-W40 HydrophobicContact CG2-CE3 4.19Å; V37-W40 HydrophobicContact CG2-CZ3 4.03Å; V37-W40 PolarHBondContact O-N 3.14Å; D38-W40 VanDerWaalsContact C-N 3.34Å; D38-W40 PolarHBondContact O-N 3.42Å; W40-R42 PolarHBondContact O-N 3.05Å; W40-S43 PolarHBondContact O-N 3.12Å; W40-F44 VanDerWaalsContact O-CB 3.27Å; W40-F44 WeakPolarHBondContact O-CB 3.49Å; W40-F44 PolarHBondContact O-N 3.28Å; W40-A911 VanDerWaalsContact CD1-O 3.28Å; W40-L915 HydrophobicContact CH2-CB 4.01Å; W40-L915 HydrophobicContact CH2-CD1 3.41Å; W40-L915 VanDerWaalsContact CH2-CD1 3.41Å; W40-L915 HydrophobicContact CH2-CG 4.33Å; W40-L915 HydrophobicContact CZ2-CB 4.43Å; W40-L915 HydrophobicContact CZ2-CD1 3.23Å; W40-L915 HydrophobicContact CZ2-CG 4.41Å; W40-V1075 HydrophobicContact CZ3-CG1 4.3Å; W40-V1075 HydrophobicContact CZ3-CG2 4.49Å
41	A	89.7	Confident	81.5	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-42.8	177.7	0	0	0	0	0	112.3	V37 D38 G45 T1064 I1066 L1073	V37-A41 PolarHBondContact O-N 3.44Å; D38-A41 PolarHBondContact O-N 3.27Å; A41-G45 PolarHBondContact O-N 2.98Å; A41-T1064 HydrophobicContact CB-CG2 3.4Å; A41-I1066 HydrophobicContact CB-CG1 4.03Å; A41-L1073 HydrophobicContact CB-CD2 4.04Å
42	R	90.2	Very high	84	Confident	141 Å²	141	39.8 Å²	39.8	53%	0.532	23%	0.233	S	C	.	.	H	α-helix	trans	-65.9	-44.4	175.3	-69.3	178.5	-163.4	-173.5	3.3	112.1	D38 W40 S46	D38-R42 WeakPolarHBondContact O-CG 3.41Å; D38-R42 PolarHBondContact O-N 2.85Å; D38-R42 IonicContact OD1-NE 3.05Å; D38-R42 IonicContact OD2-CZ 3.03Å; D38-R42 IonicContact OD2-NE 2.66Å; D38-R42 PolarHBondContact OD2-NE 3.2Å; D38-R42 IonicContact OD2-NH2 2.76Å; D38-R42 PolarHBondContact OD2-NH2 3.17Å; W40-R42 PolarHBondContact O-N 3.05Å; R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 2.95Å; R42-S46 PolarHBondContact O-OG 2.74Å
43	S	91.5	Very high	85.9	Confident	51 Å²	51	37 Å²	37	36%	0.357	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-52.6	178.4	-170	0	0	0	0	110.5	S39 W40 S46 E47	S39-S43 WeakPolarHBondContact O-CB 2.95Å; S39-S43 PolarHBondContact O-N 3.05Å; W40-S43 PolarHBondContact O-N 3.12Å; S43-S46 PolarHBondContact O-N 2.02Å; S43-S46 PolarHBondContact O-OG 2.8Å; S43-E47 WeakPolarHBondContact O-CB 3.5Å; S43-E47 PolarHBondContact O-N 3.4Å
44	F	92.6	Very high	87.3	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-49.8	179.5	-177.6	-114.3	0	0	0	112.2	W40 S46 E47 L48 F904 M907 M908 A911 L926 I1066 M1071	W40-F44 VanDerWaalsContact O-CB 3.27Å; W40-F44 WeakPolarHBondContact O-CB 3.49Å; W40-F44 PolarHBondContact O-N 3.28Å; F44-S46 PolarHBondContact O-N 3.38Å; F44-E47 PolarHBondContact O-N 3.47Å; F44-L48 HydrophobicContact CD1-CD1 3.81Å; F44-L48 HydrophobicContact CD2-CD1 4.32Å; F44-L48 HydrophobicContact CD2-CG 4.41Å; F44-L48 HydrophobicContact CE1-CD1 3.29Å; F44-L48 HydrophobicContact CE1-CG 4.33Å; F44-L48 HydrophobicContact CE2-CD1 3.85Å; F44-L48 HydrophobicContact CE2-CG 4.09Å; F44-L48 HydrophobicContact CG-CD1 4.31Å; F44-L48 HydrophobicContact CZ-CD1 3.34Å; F44-L48 HydrophobicContact CZ-CG 4.08Å; F44-L48 WeakPolarHBondContact O-CB 3.35Å; F44-L48 WeakPolarHBondContact O-CG 3.49Å; F44-L48 PolarHBondContact O-N 3.21Å; F44-F904 HydrophobicContact CE1-CE2 4.48Å; F44-F904 HydrophobicContact CE1-CZ 4.25Å; F44-F904 HydrophobicContact CZ-CD2 4.38Å; F44-F904 HydrophobicContact CZ-CE1 4.22Å; F44-F904 AromaticContact CZ-CE2 3.77Å; F44-F904 HydrophobicContact CZ-CE2 3.77Å; F44-F904 AromaticContact CZ-CZ 3.68Å; F44-F904 HydrophobicContact CZ-CZ 3.68Å; F44-M907 HydrophobicContact CD2-CB 4.2Å; F44-M907 HydrophobicContact CE2-CB 3.88Å; F44-M908 HydrophobicContact CB-SD 4.48Å; F44-M908 HydrophobicContact CD1-SD 4.04Å; F44-M908 HydrophobicContact CD2-CB 4.13Å; F44-M908 HydrophobicContact CD2-SD 3.97Å; F44-M908 HydrophobicContact CE1-SD 4.18Å; F44-M908 HydrophobicContact CE2-CB 3.67Å; F44-M908 HydrophobicContact CE2-CG 4.45Å; F44-M908 HydrophobicContact CE2-SD 4.12Å; F44-M908 HydrophobicContact CG-SD 3.91Å; F44-M908 HydrophobicContact CZ-CB 4.12Å; F44-M908 HydrophobicContact CZ-SD 4.2Å; F44-A911 HydrophobicContact CB-CB 3.63Å; F44-A911 HydrophobicContact CD2-CB 4.18Å; F44-A911 HydrophobicContact CG-CB 4.37Å; F44-L926 HydrophobicContact CE1-CD1 3.48Å; F44-L926 VanDerWaalsContact CE1-CD1 3.48Å; F44-L926 HydrophobicContact CE1-CD2 4.41Å; F44-L926 HydrophobicContact CZ-CD1 3.72Å; F44-I1066 HydrophobicContact CD1-CD1 3.84Å; F44-I1066 HydrophobicContact CE1-CD1 4.12Å; F44-M1071 HydrophobicContact CE1-CE 4.08Å
45	G	91.9	Very high	88.9	Confident	3 Å²	3	36.7 Å²	36.7	3%	0.031	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-39.7	179.4	0	0	0	0	0	113.4	A41 Y49 I1066	A41-G45 PolarHBondContact O-N 2.98Å; G45-Y49 WeakPolarHBondContact O-CB 3.08Å; G45-Y49 PolarHBondContact O-N 3.15Å; G45-I1066 VanDerWaalsContact CA-CG2 3.43Å
46	S	92	Very high	90.3	Very high	72 Å²	72	32.3 Å²	32.3	50%	0.503	18%	0.183	S	C	.	.	H	α-helix	trans	-68.5	-41	177.8	66.3	0	0	0	0	112.7	R42 S43 F44 A50	R42-S46 WeakPolarHBondContact O-CB 3.46Å; R42-S46 PolarHBondContact O-N 2.95Å; R42-S46 PolarHBondContact O-OG 2.74Å; S43-S46 PolarHBondContact O-N 2.02Å; S43-S46 PolarHBondContact O-OG 2.8Å; F44-S46 PolarHBondContact O-N 3.38Å; S46-A50 VanDerWaalsContact O-CB 3.24Å; S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.14Å
47	E	91.8	Very high	90.9	Very high	53 Å²	53	32 Å²	32	25%	0.248	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-46.1	176.1	-175.2	175	178	0	0	111.4	S43 F44 A50 T51 K767	S43-E47 WeakPolarHBondContact O-CB 3.5Å; S43-E47 PolarHBondContact O-N 3.4Å; F44-E47 PolarHBondContact O-N 3.47Å; E47-A50 PolarHBondContact O-N 2.71Å; E47-T51 VanDerWaalsContact O-CB 3.29Å; E47-T51 WeakPolarHBondContact O-CB 3.43Å; E47-T51 PolarHBondContact O-N 3.08Å; E47-T51 PolarHBondContact O-OG1 3.15Å; E47-K767 IonicContact OE1-NZ 3.45Å; E47-K767 PolarHBondContact OE1-NZ 2.94Å
48	L	92.3	Very high	91.1	Very high	4 Å²	4	32 Å²	32	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-60.8	-48.8	175.8	-81.2	179.6	0	0	0	111.9	F44 A50 T51 A52 F846 F904 M907 M1071	F44-L48 HydrophobicContact CD1-CD1 3.81Å; F44-L48 HydrophobicContact CD2-CD1 4.32Å; F44-L48 HydrophobicContact CD2-CG 4.41Å; F44-L48 HydrophobicContact CE1-CD1 3.29Å; F44-L48 HydrophobicContact CE1-CG 4.33Å; F44-L48 HydrophobicContact CE2-CD1 3.85Å; F44-L48 HydrophobicContact CE2-CG 4.09Å; F44-L48 HydrophobicContact CG-CD1 4.31Å; F44-L48 HydrophobicContact CZ-CD1 3.34Å; F44-L48 HydrophobicContact CZ-CG 4.08Å; F44-L48 WeakPolarHBondContact O-CB 3.35Å; F44-L48 WeakPolarHBondContact O-CG 3.49Å; F44-L48 PolarHBondContact O-N 3.21Å; L48-A50 VanDerWaalsContact C-N 3.34Å; L48-A50 PolarHBondContact O-N 3.21Å; L48-T51 PolarHBondContact O-N 3.19Å; L48-A52 VanDerWaalsContact O-CB 3.28Å; L48-A52 WeakPolarHBondContact O-CB 3.38Å; L48-A52 PolarHBondContact O-N 3.02Å; L48-F846 HydrophobicContact CB-CZ 4.12Å; L48-F846 HydrophobicContact CD1-CE1 4.41Å; L48-F846 HydrophobicContact CD1-CZ 4.28Å; L48-F846 HydrophobicContact CD2-CE1 4.24Å; L48-F904 HydrophobicContact CD1-CE2 3.78Å; L48-F904 HydrophobicContact CD2-CD2 3.88Å; L48-F904 HydrophobicContact CD2-CE2 3.95Å; L48-M907 HydrophobicContact CD2-SD 3.55Å; L48-M907 VanDerWaalsContact CD2-SD 3.55Å; L48-M907 HydrophobicContact CG-SD 4.4Å; L48-M1071 HydrophobicContact CD1-CE 3.77Å
49	Y	92.5	Very high	91.3	Very high	27 Å²	27	35.7 Å²	35.7	11%	0.106	19%	0.194	C	C	.	.	H	α-helix	trans	-61.6	-43.3	179.4	179.5	-86.2	0	0	0	111.2	G45 S53 F844 R878 R1068	G45-Y49 WeakPolarHBondContact O-CB 3.08Å; G45-Y49 PolarHBondContact O-N 3.15Å; Y49-S53 WeakPolarHBondContact O-CB 3.43Å; Y49-S53 PolarHBondContact O-N 2.85Å; Y49-F844 AromaticContact CD2-CD2 3.8Å; Y49-F844 HydrophobicContact CD2-CD2 3.8Å; Y49-F844 HydrophobicContact CD2-CE2 4.05Å; Y49-F844 HydrophobicContact CE2-CD2 4.09Å; Y49-F844 HydrophobicContact CE2-CE2 4.06Å; Y49-R878 PolarHBondContact OH-NH1 3.34Å; Y49-R1068 VanDerWaalsContact CD1-NH1 3.31Å; Y49-R1068 HydrophobicContact CD2-CB 3.59Å; Y49-R1068 HydrophobicContact CD2-CG 4.19Å; Y49-R1068 HydrophobicContact CE2-CB 4.12Å; Y49-R1068 HydrophobicContact CE2-CG 4.42Å; Y49-R1068 HydrophobicContact CG-CB 4.24Å
50	A	91.8	Very high	91.3	Very high	52 Å²	52	33.4 Å²	33.4	43%	0.43	18%	0.18	S	C	.	.	H	α-helix	trans	-63.1	-47.1	177.8	0	0	0	0	0	111.5	S46 E47 L48 S53 Q54	S46-A50 VanDerWaalsContact O-CB 3.24Å; S46-A50 WeakPolarHBondContact O-CB 3.31Å; S46-A50 PolarHBondContact O-N 3.14Å; E47-A50 PolarHBondContact O-N 2.71Å; L48-A50 VanDerWaalsContact C-N 3.34Å; L48-A50 PolarHBondContact O-N 3.21Å; A50-S53 PolarHBondContact O-N 2.92Å; A50-Q54 VanDerWaalsContact O-CB 3.25Å; A50-Q54 WeakPolarHBondContact O-CB 3.28Å; A50-Q54 PolarHBondContact O-N 3.35Å
51	T	91.6	Very high	91.4	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.117	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-48.7	179.4	-55.8	0	0	0	0	111.2	E47 L48 A55 K767 I769 M907	E47-T51 VanDerWaalsContact O-CB 3.29Å; E47-T51 WeakPolarHBondContact O-CB 3.43Å; E47-T51 PolarHBondContact O-N 3.08Å; E47-T51 PolarHBondContact O-OG1 3.15Å; L48-T51 PolarHBondContact O-N 3.19Å; T51-A55 WeakPolarHBondContact O-CB 3.45Å; T51-A55 PolarHBondContact O-N 3.29Å; T51-K767 HydrophobicContact CG2-CB 3.93Å; T51-K767 HydrophobicContact CG2-CG 3.88Å; T51-I769 HydrophobicContact CG2-CD1 3.78Å; T51-M907 HydrophobicContact CG2-CE 4.23Å
52	A	92.7	Very high	91.3	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-68.7	-40.8	179.5	0	0	0	0	0	112.6	L48 A55 T56 F844 I897	L48-A52 VanDerWaalsContact O-CB 3.28Å; L48-A52 WeakPolarHBondContact O-CB 3.38Å; L48-A52 PolarHBondContact O-N 3.02Å; A52-A55 PolarHBondContact O-N 3.47Å; A52-T56 WeakPolarHBondContact O-CB 3.15Å; A52-T56 VanDerWaalsContact O-CG2 3.3Å; A52-T56 WeakPolarHBondContact O-CG2 3.49Å; A52-T56 PolarHBondContact O-N 2.89Å; A52-T56 PolarHBondContact O-OG1 3.42Å; A52-F844 HydrophobicContact CB-CD1 4.14Å; A52-F844 HydrophobicContact CB-CD2 4.23Å; A52-F844 HydrophobicContact CB-CE1 3.9Å; A52-F844 HydrophobicContact CB-CE2 3.99Å; A52-F844 HydrophobicContact CB-CG 4.31Å; A52-F844 HydrophobicContact CB-CZ 3.82Å; A52-I897 HydrophobicContact CB-CD1 3.95Å
53	S	91.8	Very high	91.3	Very high	16 Å²	16	35.8 Å²	35.8	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-42.3	177.3	-168.8	0	0	0	0	111.8	Y49 A50 T56 Q57	Y49-S53 WeakPolarHBondContact O-CB 3.43Å; Y49-S53 PolarHBondContact O-N 2.85Å; A50-S53 PolarHBondContact O-N 2.92Å; S53-T56 PolarHBondContact O-OG1 3.4Å; S53-Q57 PolarHBondContact O-N 3.48Å; S53-Q57 VanDerWaalsContact O-N 3.08Å
54	Q	91	Very high	91.2	Very high	94 Å²	94	34.3 Å²	34.3	44%	0.439	18%	0.178	S	C	.	.	H	α-helix	trans	-63.5	-48.9	175.4	-176.4	174.7	-5.1	0	0	111.6	A50 Q57 G761 Q762	A50-Q54 VanDerWaalsContact O-CB 3.25Å; A50-Q54 WeakPolarHBondContact O-CB 3.28Å; A50-Q54 PolarHBondContact O-N 3.35Å; Q54-Q57 PolarHBondContact O-NE2 3.06Å; Q54-G761 PolarHBondContact NE2-O 3.23Å; Q54-Q762 PolarHBondContact O-OE1 2.93Å
55	A	92.1	Very high	91	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-67.2	-39.7	-178.3	0	0	0	0	0	113.2	T51 A52 W757 Q762 I769 I897	T51-A55 WeakPolarHBondContact O-CB 3.45Å; T51-A55 PolarHBondContact O-N 3.29Å; A52-A55 PolarHBondContact O-N 3.47Å; A55-W757 VanDerWaalsContact O-CD1 3.24Å; A55-W757 PolarHBondContact O-NE1 3.43Å; A55-Q762 WeakPolarHBondContact CA-O 3.08Å; A55-I769 HydrophobicContact CB-CD1 3.67Å; A55-I897 HydrophobicContact CB-CG2 3.79Å
56	T	92.4	Very high	90.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-76	-27.2	-179.5	53	0	0	0	0	113.9	A52 S53 A58 W757 F844 V895 I897	A52-T56 WeakPolarHBondContact O-CB 3.15Å; A52-T56 VanDerWaalsContact O-CG2 3.3Å; A52-T56 WeakPolarHBondContact O-CG2 3.49Å; A52-T56 PolarHBondContact O-N 2.89Å; A52-T56 PolarHBondContact O-OG1 3.42Å; S53-T56 PolarHBondContact O-OG1 3.4Å; T56-A58 PolarHBondContact O-N 3.47Å; T56-W757 PolarHBondContact O-NE1 3.06Å; T56-W757 VanDerWaalsContact O-NE1 3.12Å; T56-F844 HydrophobicContact CG2-CE1 4.03Å; T56-F844 HydrophobicContact CG2-CZ 4.39Å; T56-V895 HydrophobicContact CG2-CB 4.32Å; T56-V895 HydrophobicContact CG2-CG2 4.16Å; T56-I897 HydrophobicContact CG2-CG2 3.79Å
57	Q	91.5	Very high	90.5	Very high	37 Å²	37	43.6 Å²	43.6	17%	0.173	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	35.1	-169.3	-67.2	-65.8	-65.3	0	0	113.2	S53 Q54 E59 G60 L61 M753 Q762	S53-Q57 PolarHBondContact O-N 3.48Å; S53-Q57 VanDerWaalsContact O-N 3.08Å; Q54-Q57 PolarHBondContact O-NE2 3.06Å; Q57-E59 PolarHBondContact O-N 3.29Å; Q57-G60 WeakPolarHBondContact O-CA 3.05Å; Q57-G60 PolarHBondContact O-N 3.01Å; Q57-L61 PolarHBondContact O-N 3.14Å; Q57-M753 HydrophobicContact CB-CE 4.24Å; Q57-Q762 VanDerWaalsContact NE2-CD 3.33Å
58	A	89.9	Confident	90	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-53.1	-50.6	-178.1	0	0	0	0	0	113	T56 G60 L61 E62 V880 V895	T56-A58 PolarHBondContact O-N 3.47Å; A58-G60 VanDerWaalsContact C-N 3.29Å; A58-G60 PolarHBondContact O-N 2.87Å; A58-L61 PolarHBondContact O-N 3.37Å; A58-E62 PolarHBondContact O-N 3.24Å; A58-V880 HydrophobicContact CB-CG2 4.39Å; A58-V895 HydrophobicContact CB-CG2 3.72Å
59	E	88.4	Confident	89.3	Confident	100 Å²	100	50 Å²	50	47%	0.467	24%	0.244	S	C	.	.	H	α-helix	trans	-67	-30.8	178.9	-64.3	178.3	-172.1	0	0	112.5	Q57 R63	Q57-E59 PolarHBondContact O-N 3.29Å; E59-R63 PolarHBondContact O-N 2.86Å; E59-R63 VanDerWaalsContact O-N 3.14Å
60	G	89.3	Confident	88.8	Confident	16 Å²	16	49.6 Å²	49.6	17%	0.165	24%	0.244	C	C	.	.	H	α-helix	trans	-65.2	-42.6	172.9	0	0	0	0	0	111.3	Q57 A58 R63 K64	Q57-G60 WeakPolarHBondContact O-CA 3.05Å; Q57-G60 PolarHBondContact O-N 3.01Å; A58-G60 VanDerWaalsContact C-N 3.29Å; A58-G60 PolarHBondContact O-N 2.87Å; G60-R63 WeakPolarHBondContact O-CB 3.49Å; G60-R63 PolarHBondContact O-N 3.39Å; G60-K64 WeakPolarHBondContact O-CG 3.32Å; G60-K64 PolarHBondContact O-N 2.97Å
61	L	91.2	Very high	88.3	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-40.7	177.4	-173.8	59.5	0	0	0	112.3	Q57 A58 R63 K64 Y65 V749 T750 M753 V880 S893 V895	Q57-L61 PolarHBondContact O-N 3.14Å; A58-L61 PolarHBondContact O-N 3.37Å; L61-R63 VanDerWaalsContact C-N 3.26Å; L61-R63 PolarHBondContact O-N 2.91Å; L61-K64 WeakPolarHBondContact O-CB 3.46Å; L61-K64 PolarHBondContact O-N 2.92Å; L61-K64 VanDerWaalsContact O-N 3.12Å; L61-Y65 HydrophobicContact CD1-CD2 4.26Å; L61-Y65 HydrophobicContact CD1-CE2 3.92Å; L61-Y65 HydrophobicContact CD2-CE2 4.3Å; L61-Y65 HydrophobicContact CG-CD2 4.09Å; L61-Y65 HydrophobicContact CG-CE2 3.82Å; L61-Y65 WeakPolarHBondContact O-CD2 3.4Å; L61-Y65 PolarHBondContact O-N 3.38Å; L61-V749 HydrophobicContact CD1-CG1 4.04Å; L61-T750 HydrophobicContact CD1-CG2 4.31Å; L61-M753 HydrophobicContact CB-SD 4.41Å; L61-M753 HydrophobicContact CD1-CG 4.42Å; L61-M753 HydrophobicContact CD1-SD 4.04Å; L61-V880 HydrophobicContact CD2-CG1 4.35Å; L61-V880 HydrophobicContact CD2-CG2 4.46Å; L61-V880 HydrophobicContact CG-CG1 4.27Å; L61-S893 WeakPolarHBondContact CD2-OG 3.32Å; L61-V895 HydrophobicContact CD2-CG1 3.63Å
62	E	88.9	Confident	88	Confident	52 Å²	52	53 Å²	53	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-54.7	-43.3	171.7	-73.5	177.8	-170.7	0	0	111.3	A58 Y65 K66 R878 V880	A58-E62 PolarHBondContact O-N 3.24Å; E62-Y65 PolarHBondContact O-N 2.87Å; E62-K66 PolarHBondContact O-N 3.15Å; E62-R878 IonicContact OE1-NH2 2.74Å; E62-R878 PolarHBondContact OE1-NH2 3.18Å; E62-V880 HydrophobicContact CG-CG1 3.73Å
63	R	89.5	Confident	87.7	Confident	152 Å²	152	55.2 Å²	55.2	57%	0.574	26%	0.261	S	S	*	.	H	α-helix	trans	-64.9	-40.7	176.4	-165.1	-176	-54.4	153.5	9.4	112.3	E59 G60 L61 Y65 K66 E67	E59-R63 PolarHBondContact O-N 2.86Å; E59-R63 VanDerWaalsContact O-N 3.14Å; G60-R63 WeakPolarHBondContact O-CB 3.49Å; G60-R63 PolarHBondContact O-N 3.39Å; L61-R63 VanDerWaalsContact C-N 3.26Å; L61-R63 PolarHBondContact O-N 2.91Å; R63-Y65 PolarHBondContact O-N 3.18Å; R63-K66 CarbonylContact O-C 3.54Å; R63-K66 WeakPolarHBondContact O-CA 3.36Å; R63-K66 WeakPolarHBondContact O-CB 3.28Å; R63-K66 PolarHBondContact O-N 3.38Å; R63-K66 VanDerWaalsContact O-N 3.09Å; R63-E67 WeakPolarHBondContact CD-OE1 3.4Å; R63-E67 HydrophobicContact CG-CG 4.4Å; R63-E67 WeakPolarHBondContact CG-OE1 2.99Å; R63-E67 WeakPolarHBondContact O-CG 3.4Å; R63-E67 PolarHBondContact O-N 2.03Å
64	K	89.7	Confident	87.3	Confident	20 Å²	20	60.3 Å²	60.3	9%	0.087	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-42.4	177	-74.8	-170.2	172.6	-161	0	112.6	G60 L61 K66 E67 H68 V749 D752	G60-K64 WeakPolarHBondContact O-CG 3.32Å; G60-K64 PolarHBondContact O-N 2.97Å; L61-K64 WeakPolarHBondContact O-CB 3.46Å; L61-K64 PolarHBondContact O-N 2.92Å; L61-K64 VanDerWaalsContact O-N 3.12Å; K64-K66 PolarHBondContact O-N 2.8Å; K64-E67 PolarHBondContact O-N 2.79Å; K64-H68 PolarHBondContact O-N 2.9Å; K64-H68 PolarHBondContact O-ND1 3.14Å; K64-V749 HydrophobicContact CB-CG1 4.02Å; K64-V749 WeakPolarHBondContact CD-O 3.38Å; K64-D752 IonicContact NZ-OD2 2.98Å; K64-D752 PolarHBondContact NZ-OD2 3.39Å
65	Y	88.7	Confident	87	Confident	2 Å²	2	56 Å²	56	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-38.2	173.6	-83.3	-71.4	0	0	0	111.5	L61 E62 R63 V70 I666 D746 V749 V880 A892	L61-Y65 HydrophobicContact CD1-CD2 4.26Å; L61-Y65 HydrophobicContact CD1-CE2 3.92Å; L61-Y65 HydrophobicContact CD2-CE2 4.3Å; L61-Y65 HydrophobicContact CG-CD2 4.09Å; L61-Y65 HydrophobicContact CG-CE2 3.82Å; L61-Y65 WeakPolarHBondContact O-CD2 3.4Å; L61-Y65 PolarHBondContact O-N 3.38Å; E62-Y65 PolarHBondContact O-N 2.87Å; R63-Y65 PolarHBondContact O-N 3.18Å; Y65-V70 HydrophobicContact CD1-CB 4.5Å; Y65-V70 HydrophobicContact CD1-CG1 4.49Å; Y65-V70 HydrophobicContact CD1-CG2 4.08Å; Y65-V70 WeakPolarHBondContact O-CB 3.42Å; Y65-V70 WeakPolarHBondContact O-CG2 3.03Å; Y65-V70 PolarHBondContact O-N 3.39Å; Y65-I666 HydrophobicContact CE1-CD1 4.46Å; Y65-D746 PolarHBondContact OH-OD1 3.45Å; Y65-D746 VanDerWaalsContact OH-OD1 3.14Å; Y65-V749 HydrophobicContact CD1-CG1 3.92Å; Y65-V749 HydrophobicContact CD1-CG2 4.24Å; Y65-V749 HydrophobicContact CD2-CG1 4.05Å; Y65-V749 HydrophobicContact CE1-CB 4.26Å; Y65-V749 HydrophobicContact CE1-CG1 3.84Å; Y65-V749 HydrophobicContact CE1-CG2 4.21Å; Y65-V749 HydrophobicContact CE2-CG1 3.99Å; Y65-V749 HydrophobicContact CG-CG1 4.01Å; Y65-V880 HydrophobicContact CD2-CG1 4.22Å; Y65-V880 HydrophobicContact CE2-CG1 4.3Å; Y65-A892 HydrophobicContact CD1-CB 4.21Å; Y65-A892 HydrophobicContact CD2-CB 3.97Å; Y65-A892 HydrophobicContact CE1-CB 3.9Å; Y65-A892 HydrophobicContact CE2-CB 3.62Å; Y65-A892 HydrophobicContact CG-CB 4.26Å
66	K	86.2	Confident	86.7	Confident	149 Å²	149	59.7 Å²	59.7	65%	0.648	28%	0.284	S	S	*	.	H	α-helix	trans	-68.4	-42.8	174.7	-167.8	177.1	-177	174.9	0	113	E62 R63 K64 H68 N69	E62-K66 PolarHBondContact O-N 3.15Å; R63-K66 CarbonylContact O-C 3.54Å; R63-K66 WeakPolarHBondContact O-CA 3.36Å; R63-K66 WeakPolarHBondContact O-CB 3.28Å; R63-K66 PolarHBondContact O-N 3.38Å; R63-K66 VanDerWaalsContact O-N 3.09Å; K64-K66 PolarHBondContact O-N 2.8Å; K66-H68 VanDerWaalsContact C-N 3.27Å; K66-H68 PolarHBondContact O-N 3.37Å; K66-N69 PolarHBondContact O-N 3.45Å; K66-N69 VanDerWaalsContact O-N 3.16Å
67	E	86.4	Confident	86.5	Confident	120 Å²	120	60.1 Å²	60.1	56%	0.561	29%	0.287	S	S	*	.	H	α-helix	trans	-63.1	-31.6	179.1	-73.8	167.5	-175.1	0	0	112.9	R63 K64 N69	R63-E67 WeakPolarHBondContact CD-OE1 3.4Å; R63-E67 HydrophobicContact CG-CG 4.4Å; R63-E67 WeakPolarHBondContact CG-OE1 2.99Å; R63-E67 WeakPolarHBondContact O-CG 3.4Å; R63-E67 PolarHBondContact O-N 2.03Å; K64-E67 PolarHBondContact O-N 2.79Å; E67-N69 PolarHBondContact O-N 2.88Å
68	H	81.9	Confident	86.3	Confident	68 Å²	68	59.9 Å²	59.9	32%	0.315	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	11.5	177.8	-68.4	75.3	0	0	0	113.3	K64 K66 V70 V749	K64-H68 PolarHBondContact O-N 2.9Å; K64-H68 PolarHBondContact O-ND1 3.14Å; K66-H68 VanDerWaalsContact C-N 3.27Å; K66-H68 PolarHBondContact O-N 3.37Å; H68-V70 VanDerWaalsContact C-N 3.27Å; H68-V70 HydrophobicContact CB-CG2 4.15Å; H68-V70 PolarHBondContact O-N 2.88Å; H68-V749 HydrophobicContact CB-CG2 4.05Å
69	N	78.9	Confident	86.3	Confident	124 Å²	124	65.8 Å²	65.8	66%	0.663	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.6	-179.5	-66.4	-30.5	0	0	0	113.3	K66 E67 H71	K66-N69 PolarHBondContact O-N 3.45Å; K66-N69 VanDerWaalsContact O-N 3.16Å; E67-N69 PolarHBondContact O-N 2.88Å; N69-H71 PolarHBondContact O-N 3.45Å
70	V	80	Confident	86.3	Confident	17 Å²	17	61.2 Å²	61.2	10%	0.103	29%	0.292	C	S	.	.			trans	-71.4	119.5	179.9	178	0	0	0	0	109.9	Y65 H68 I666 L745 A882	Y65-V70 HydrophobicContact CD1-CB 4.5Å; Y65-V70 HydrophobicContact CD1-CG1 4.49Å; Y65-V70 HydrophobicContact CD1-CG2 4.08Å; Y65-V70 WeakPolarHBondContact O-CB 3.42Å; Y65-V70 WeakPolarHBondContact O-CG2 3.03Å; Y65-V70 PolarHBondContact O-N 3.39Å; H68-V70 VanDerWaalsContact C-N 3.27Å; H68-V70 HydrophobicContact CB-CG2 4.15Å; H68-V70 PolarHBondContact O-N 2.88Å; V70-I666 HydrophobicContact CG1-CB 4.33Å; V70-I666 HydrophobicContact CG1-CD1 4.08Å; V70-I666 HydrophobicContact CG1-CG1 4.1Å; V70-I666 HydrophobicContact CG1-CG2 3.38Å; V70-L745 HydrophobicContact CG1-CD2 4.43Å; V70-L745 HydrophobicContact CG2-CD1 4.11Å; V70-L745 HydrophobicContact CG2-CD2 4.32Å; V70-A882 HydrophobicContact CG1-CB 4.49Å
71	H	82.2	Confident	86.4	Confident	123 Å²	123	60.5 Å²	60.5	57%	0.569	28%	0.284	S	S	*	.			trans	-87.6	145.9	178.9	-63.9	-58.2	0	0	0	111.5	N69 D667	N69-H71 PolarHBondContact O-N 3.45Å; H71-D667 HydrophobicContact CB-CB 4.1Å; H71-D667 PolarHBondContact O-N 3.4Å
72	V	86	Confident	86.4	Confident	19 Å²	19	63.4 Å²	63.4	12%	0.115	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.4	173.8	177.3	0	0	0	0	107.8	Y664 R665 A882 D884 H888 A890	V72-Y664 HydrophobicContact CG1-CD1 3.95Å; V72-Y664 HydrophobicContact CG1-CG 4.22Å; V72-R665 WeakPolarHBondContact CA-O 2.74Å; V72-A882 HydrophobicContact CG2-CB 4.28Å; V72-D884 HydrophobicContact CB-CB 4.21Å; V72-D884 HydrophobicContact CG2-CB 4.44Å; V72-H888 HydrophobicContact CG1-CB 4.26Å; V72-A890 HydrophobicContact CB-CB 4.44Å; V72-A890 HydrophobicContact CG1-CB 3.75Å; V72-A890 HydrophobicContact CG2-CB 3.97Å
73	E	85.2	Confident	86.4	Confident	50 Å²	50	63.7 Å²	63.7	23%	0.234	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150	174.4	64.1	172.3	-165.6	0	0	110.6	Y664 R665 D667	E73-Y664 CarbonylContact O-C 3.56Å; E73-Y664 WeakPolarHBondContact O-CA 3.02Å; E73-R665 HydrophobicContact CG-CG 3.92Å; E73-R665 PolarHBondContact N-O 3.35Å; E73-R665 PolarHBondContact O-N 3.16Å; E73-R665 IonicContact OE1-CZ 3.46Å; E73-R665 IonicContact OE1-NE 3.02Å; E73-R665 PolarHBondContact OE1-NE 3.12Å; E73-R665 IonicContact OE1-NH2 2.97Å; E73-R665 PolarHBondContact OE1-NH2 3.1Å; E73-D667 HydrophobicContact CB-CB 4.05Å; E73-D667 HydrophobicContact CG-CB 3.82Å
74	M	84.4	Confident	86.5	Confident	123 Å²	123	56.5 Å²	56.5	61%	0.606	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	120.7	164	-178.8	-177.3	166	0	0	107.2	V663 Y664	M74-V663 WeakPolarHBondContact CA-O 3.29Å; M74-V663 HydrophobicContact CE-CG1 3.84Å; M74-V663 HydrophobicContact CG-CB 4.31Å; M74-V663 HydrophobicContact CG-CG1 3.88Å; M74-Y664 HydrophobicContact CB-CD1 4.02Å; M74-Y664 HydrophobicContact CB-CE1 3.87Å
75	F	84.9	Confident	86.7	Confident	3 Å²	3	56.8 Å²	56.8	1%	0.013	28%	0.275	C	S	.	.			trans	-81.3	139.9	175.5	74.4	-89.6	0	0	0	109.7	P77 V80 G521 V658 V663 R665	F75-P77 HydrophobicContact CD2-CG 4.35Å; F75-P77 HydrophobicContact CE2-CB 4.33Å; F75-P77 HydrophobicContact CE2-CG 3.93Å; F75-P77 VanDerWaalsContact O-CD 3.26Å; F75-P77 WeakPolarHBondContact O-CD 3.32Å; F75-V80 HydrophobicContact CD2-CG2 4.06Å; F75-G521 VanDerWaalsContact CE1-N 3.33Å; F75-V658 HydrophobicContact CE2-CG2 4.35Å; F75-V658 HydrophobicContact CZ-CG1 3.86Å; F75-V658 HydrophobicContact CZ-CG2 4.29Å; F75-V663 WeakPolarHBondContact CD1-O 3.35Å; F75-V663 WeakPolarHBondContact CE1-O 3.43Å; F75-V663 PolarHBondContact N-O 3.44Å; F75-V663 VanDerWaalsContact N-O 3.1Å; F75-R665 HydrophobicContact CB-CG 4.09Å; F75-R665 HydrophobicContact CD1-CB 4.42Å; F75-R665 HydrophobicContact CD1-CG 4.29Å
76	D	86.3	Confident	86.8	Confident	78 Å²	78	60.2 Å²	60.2	42%	0.417	30%	0.299	S	S	.	.			trans	-84	111.8	172.4	-174.8	-4.1	0	0	0	109.8	E78 E79 V80	D76-E78 PolarHBondContact O-N 3.06Å; D76-E78 WeakPolarHBondContact OD1-CB 2.93Å; D76-E78 PolarHBondContact OD1-N 3.11Å; D76-E79 HydrophobicContact CB-CB 4.04Å; D76-E79 PolarHBondContact O-N 3.26Å; D76-V80 WeakPolarHBondContact O-CG2 3.33Å; D76-V80 PolarHBondContact O-N 3.15Å; D76-V80 VanDerWaalsContact O-N 3.08Å
77	P	87.7	Confident	86.9	Confident	9 Å²	9	55.1 Å²	55.1	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-58.9	-30.1	177.8	-23.2	35.8	0	0	0	113.1	F75 I81 F643 L656 V658	F75-P77 HydrophobicContact CD2-CG 4.35Å; F75-P77 HydrophobicContact CE2-CB 4.33Å; F75-P77 HydrophobicContact CE2-CG 3.93Å; F75-P77 VanDerWaalsContact O-CD 3.26Å; F75-P77 WeakPolarHBondContact O-CD 3.32Å; P77-I81 WeakPolarHBondContact O-CB 3.39Å; P77-I81 VanDerWaalsContact O-CG2 3.31Å; P77-I81 WeakPolarHBondContact O-CG2 3.13Å; P77-I81 PolarHBondContact O-N 3.45Å; P77-F643 HydrophobicContact CB-CD1 4.16Å; P77-F643 HydrophobicContact CB-CD2 3.65Å; P77-F643 HydrophobicContact CB-CE1 4.03Å; P77-F643 HydrophobicContact CB-CE2 3.53Å; P77-F643 HydrophobicContact CB-CG 3.97Å; P77-F643 HydrophobicContact CB-CZ 3.73Å; P77-F643 HydrophobicContact CG-CD2 4.39Å; P77-F643 HydrophobicContact CG-CE2 3.79Å; P77-F643 HydrophobicContact CG-CZ 3.85Å; P77-L656 HydrophobicContact CB-CD2 3.81Å; P77-V658 HydrophobicContact CB-CG2 4.07Å; P77-V658 HydrophobicContact CG-CG2 4.1Å
78	E	87.9	Confident	87.1	Confident	32 Å²	32	49.4 Å²	49.4	15%	0.15	25%	0.249	C	C	.	.	H	α-helix	trans	-72.5	-35.9	-179.4	-63.7	-75.8	-170	0	0	111.9	D76 I81 E82 F643 R645	D76-E78 PolarHBondContact O-N 3.06Å; D76-E78 WeakPolarHBondContact OD1-CB 2.93Å; D76-E78 PolarHBondContact OD1-N 3.11Å; E78-I81 WeakPolarHBondContact O-CG2 3.07Å; E78-E82 WeakPolarHBondContact O-CG 3.48Å; E78-E82 PolarHBondContact O-N 3.16Å; E78-F643 HydrophobicContact CG-CD1 4.03Å; E78-F643 HydrophobicContact CG-CE1 3.99Å; E78-F643 VanDerWaalsContact OE1-CD1 3.31Å; E78-F643 WeakPolarHBondContact OE1-CD1 3.44Å; E78-R645 IonicContact OE2-CZ 3.67Å; E78-R645 VanDerWaalsContact OE2-CZ 3.25Å; E78-R645 IonicContact OE2-NH1 3.48Å; E78-R645 PolarHBondContact OE2-NH1 3.45Å; E78-R645 IonicContact OE2-NH2 3.24Å; E78-R645 PolarHBondContact OE2-NH2 3.26Å
79	E	88	Confident	87.6	Confident	124 Å²	124	48.2 Å²	48.2	58%	0.579	24%	0.244	S	C	*	.	H	α-helix	trans	-70.1	-46.9	173.5	-173.6	-177.1	174.1	0	0	110.5	D76 I81 E82 I83	D76-E79 HydrophobicContact CB-CB 4.04Å; D76-E79 PolarHBondContact O-N 3.26Å; E79-I81 PolarHBondContact O-N 3.38Å; E79-E82 PolarHBondContact O-N 3.16Å; E79-I83 HydrophobicContact CG-CD1 4.15Å; E79-I83 WeakPolarHBondContact O-CG1 3.4Å; E79-I83 PolarHBondContact O-N 3.45Å
80	V	88.8	Confident	88.1	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.024	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-44.3	-177.4	175.3	0	0	0	0	111.5	F75 D76 E82 I83 M84 L520	F75-V80 HydrophobicContact CD2-CG2 4.06Å; D76-V80 WeakPolarHBondContact O-CG2 3.33Å; D76-V80 PolarHBondContact O-N 3.15Å; D76-V80 VanDerWaalsContact O-N 3.08Å; V80-E82 VanDerWaalsContact C-N 3.31Å; V80-E82 PolarHBondContact O-N 2.79Å; V80-I83 PolarHBondContact O-N 3.18Å; V80-M84 HydrophobicContact CG1-CE 3.75Å; V80-M84 HydrophobicContact CG1-CG 4.39Å; V80-M84 HydrophobicContact CG1-SD 4.18Å; V80-M84 WeakPolarHBondContact O-CG 3.39Å; V80-M84 PolarHBondContact O-N 3.12Å; V80-L520 HydrophobicContact CG1-CD2 3.68Å
81	I	91.1	Very high	88.4	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-32.7	178.7	-162.4	170.2	0	0	0	112.2	P77 E78 E79 K85 F643 R645 L654 L656	P77-I81 WeakPolarHBondContact O-CB 3.39Å; P77-I81 VanDerWaalsContact O-CG2 3.31Å; P77-I81 WeakPolarHBondContact O-CG2 3.13Å; P77-I81 PolarHBondContact O-N 3.45Å; E78-I81 WeakPolarHBondContact O-CG2 3.07Å; E79-I81 PolarHBondContact O-N 3.38Å; I81-K85 WeakPolarHBondContact O-CB 3.48Å; I81-K85 PolarHBondContact O-N 3.36Å; I81-F643 HydrophobicContact CD1-CB 4.09Å; I81-F643 VanDerWaalsContact CD1-O 3.24Å; I81-F643 WeakPolarHBondContact CD1-O 3.43Å; I81-R645 HydrophobicContact CD1-CB 4.46Å; I81-R645 HydrophobicContact CD1-CG 4Å; I81-R645 HydrophobicContact CG1-CG 4.03Å; I81-R645 HydrophobicContact CG2-CG 4.15Å; I81-L654 HydrophobicContact CG1-CD2 3.78Å; I81-L654 HydrophobicContact CG1-CG 4.21Å; I81-L656 HydrophobicContact CD1-CB 4.15Å
82	E	91.6	Very high	88.7	Confident	61 Å²	61	38.1 Å²	38.1	29%	0.285	20%	0.2	S	C	.	.	H	α-helix	trans	-69.5	-38.1	174.9	-68.9	-73.4	176.2	0	0	111.6	E78 E79 V80 S86 K612 R645	E78-E82 WeakPolarHBondContact O-CG 3.48Å; E78-E82 PolarHBondContact O-N 3.16Å; E79-E82 PolarHBondContact O-N 3.16Å; V80-E82 VanDerWaalsContact C-N 3.31Å; V80-E82 PolarHBondContact O-N 2.79Å; E82-S86 WeakPolarHBondContact O-CB 3.42Å; E82-S86 PolarHBondContact O-N 2.93Å; E82-K612 WeakPolarHBondContact OE1-CE 3.41Å; E82-K612 IonicContact OE1-NZ 3.13Å; E82-K612 PolarHBondContact OE1-NZ 3.03Å; E82-R645 IonicContact OE1-CZ 2.78Å; E82-R645 IonicContact OE1-NE 2.94Å; E82-R645 PolarHBondContact OE1-NE 3.46Å; E82-R645 IonicContact OE1-NH2 3.63Å; E82-R645 PolarHBondContact OE1-NH2 3.31Å; E82-R645 VanDerWaalsContact OE1-NH2 3.13Å
83	I	89.8	Confident	88.8	Confident	59 Å²	59	38.2 Å²	38.2	30%	0.303	21%	0.205	S	C	.	.	H	α-helix	trans	-63	-49.2	173	-65.6	167.7	0	0	0	110.4	E79 V80 K85 S86 R87 M519	E79-I83 HydrophobicContact CG-CD1 4.15Å; E79-I83 WeakPolarHBondContact O-CG1 3.4Å; E79-I83 PolarHBondContact O-N 3.45Å; V80-I83 PolarHBondContact O-N 3.18Å; I83-K85 PolarHBondContact O-N 3.35Å; I83-S86 PolarHBondContact O-N 3.04Å; I83-R87 WeakPolarHBondContact O-CG 3.36Å; I83-R87 PolarHBondContact O-N 2.87Å; I83-M519 HydrophobicContact CG2-CE 4.24Å
84	M	91.5	Very high	88.9	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-44.2	178.4	-70.9	-177.1	173.4	0	0	111.6	V80 S86 R87 L88 A515 P516 M519 L520 L654	V80-M84 HydrophobicContact CG1-CE 3.75Å; V80-M84 HydrophobicContact CG1-CG 4.39Å; V80-M84 HydrophobicContact CG1-SD 4.18Å; V80-M84 WeakPolarHBondContact O-CG 3.39Å; V80-M84 PolarHBondContact O-N 3.12Å; M84-S86 PolarHBondContact O-N 2.78Å; M84-R87 PolarHBondContact O-N 3Å; M84-L88 PolarHBondContact O-N 3.08Å; M84-A515 HydrophobicContact CB-CB 4.26Å; M84-A515 HydrophobicContact CG-CB 4.3Å; M84-A515 HydrophobicContact SD-CB 3.92Å; M84-P516 WeakPolarHBondContact CE-O 3.44Å; M84-M519 HydrophobicContact CE-CB 3.94Å; M84-L520 HydrophobicContact CE-CD1 4.4Å; M84-L520 HydrophobicContact CE-CD2 3.57Å; M84-L520 HydrophobicContact CE-CG 3.95Å; M84-L654 HydrophobicContact CB-CD2 3.65Å
85	K	92.8	Very high	89	Confident	25 Å²	25	33.9 Å²	33.9	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-56.9	-49.7	174.2	177.4	-171	-179.8	161.7	0	111.4	I81 I83 R87 L88 E89 R645 G646 L654	I81-K85 WeakPolarHBondContact O-CB 3.48Å; I81-K85 PolarHBondContact O-N 3.36Å; I83-K85 PolarHBondContact O-N 3.35Å; K85-R87 VanDerWaalsContact C-N 3.29Å; K85-R87 PolarHBondContact O-N 2.83Å; K85-L88 PolarHBondContact O-N 3.38Å; K85-E89 WeakPolarHBondContact CE-OE1 3.38Å; K85-E89 HydrophobicContact CG-CG 4.29Å; K85-E89 IonicContact NZ-OE1 3.43Å; K85-E89 WeakPolarHBondContact O-CB 3.23Å; K85-E89 WeakPolarHBondContact O-CG 3.39Å; K85-E89 PolarHBondContact O-N 2.98Å; K85-R645 HydrophobicContact CD-CB 3.98Å; K85-R645 HydrophobicContact CD-CG 4.3Å; K85-G646 WeakPolarHBondContact CE-O 3.3Å; K85-G646 PolarHBondContact NZ-O 3.13Å; K85-G646 VanDerWaalsContact NZ-O 3.11Å; K85-L654 HydrophobicContact CB-CD2 4.41Å
86	S	91.9	Very high	89.2	Confident	74 Å²	74	37 Å²	37	52%	0.517	19%	0.191	S	C	.	.	H	α-helix	trans	-59.8	-40.2	-179.9	-178.6	0	0	0	0	112	E82 I83 M84 A90	E82-S86 WeakPolarHBondContact O-CB 3.42Å; E82-S86 PolarHBondContact O-N 2.93Å; I83-S86 PolarHBondContact O-N 3.04Å; M84-S86 PolarHBondContact O-N 2.78Å; S86-A90 WeakPolarHBondContact O-CB 3.43Å; S86-A90 PolarHBondContact O-N 3.13Å
87	R	88.8	Confident	89.2	Confident	42 Å²	42	38.3 Å²	38.3	16%	0.158	20%	0.195	C	C	.	.	H	α-helix	trans	-63.6	-47.7	175.2	-69.2	171.2	-178.7	-152.2	-4.4	111.9	I83 M84 K85 A90 F91 M514 Q735	I83-R87 WeakPolarHBondContact O-CG 3.36Å; I83-R87 PolarHBondContact O-N 2.87Å; M84-R87 PolarHBondContact O-N 3Å; K85-R87 VanDerWaalsContact C-N 3.29Å; K85-R87 PolarHBondContact O-N 2.83Å; R87-A90 PolarHBondContact O-N 3.17Å; R87-F91 VanDerWaalsContact O-CB 3.29Å; R87-F91 WeakPolarHBondContact O-CB 3.39Å; R87-F91 PolarHBondContact O-N 3.19Å; R87-M514 HydrophobicContact CB-CB 4.3Å; R87-M514 HydrophobicContact CB-SD 4.43Å; R87-Q735 VanDerWaalsContact CZ-O 3.22Å; R87-Q735 PolarHBondContact NH1-O 2.89Å; R87-Q735 PolarHBondContact NH2-O 2.94Å
88	L	90.3	Very high	89	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-47.1	177	-81.3	169.7	0	0	0	112.1	M84 K85 A90 F91 L92 L511 M514 A515 I528 I647 L654	M84-L88 PolarHBondContact O-N 3.08Å; K85-L88 PolarHBondContact O-N 3.38Å; L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 2.58Å; L88-F91 PolarHBondContact O-N 3.4Å; L88-L92 WeakPolarHBondContact O-CB 3.43Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L88-L92 PolarHBondContact O-N 3.14Å; L88-L511 HydrophobicContact CD2-CB 4.46Å; L88-L511 HydrophobicContact CD2-CD2 3.87Å; L88-M514 HydrophobicContact CD2-CB 3.5Å; L88-M514 VanDerWaalsContact CD2-CB 3.5Å; L88-M514 HydrophobicContact CD2-CG 4.1Å; L88-M514 HydrophobicContact CG-CB 3.68Å; L88-A515 HydrophobicContact CD1-CB 4.24Å; L88-I528 HydrophobicContact CD1-CD1 4.16Å; L88-I528 HydrophobicContact CD2-CD1 4.25Å; L88-I647 HydrophobicContact CB-CD1 4.41Å; L88-I647 HydrophobicContact CD1-CD1 4.01Å; L88-L654 HydrophobicContact CD1-CB 4.28Å; L88-L654 HydrophobicContact CD1-CD1 3.93Å; L88-L654 HydrophobicContact CD1-CD2 4Å; L88-L654 HydrophobicContact CD1-CG 4.28Å
89	E	91.9	Very high	89	Confident	44 Å²	44	36.4 Å²	36.4	21%	0.206	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-42.1	177.7	-74.6	-177.2	168.5	0	0	111.5	K85 G93 I647 K648	K85-E89 WeakPolarHBondContact CE-OE1 3.38Å; K85-E89 HydrophobicContact CG-CG 4.29Å; K85-E89 IonicContact NZ-OE1 3.43Å; K85-E89 WeakPolarHBondContact O-CB 3.23Å; K85-E89 WeakPolarHBondContact O-CG 3.39Å; K85-E89 PolarHBondContact O-N 2.98Å; E89-G93 WeakPolarHBondContact O-CA 3.42Å; E89-G93 PolarHBondContact O-N 3.06Å; E89-I647 HydrophobicContact CG-CG2 3.76Å; E89-K648 HydrophobicContact CG-CB 4.5Å; E89-K648 WeakPolarHBondContact OE1-CB 3.17Å; E89-K648 WeakPolarHBondContact OE1-CG 3.5Å; E89-K648 PolarHBondContact OE1-N 2.92Å
90	A	88.5	Confident	89	Confident	46 Å²	46	34 Å²	34	38%	0.38	17%	0.173	S	C	.	.	H	α-helix	trans	-66	-39	175.7	0	0	0	0	0	112	S86 R87 L88 R94	S86-A90 WeakPolarHBondContact O-CB 3.43Å; S86-A90 PolarHBondContact O-N 3.13Å; R87-A90 PolarHBondContact O-N 3.17Å; L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 2.58Å; A90-R94 WeakPolarHBondContact O-CG 3.37Å; A90-R94 PolarHBondContact O-N 3.18Å; A90-R94 PolarHBondContact O-NH1 3.32Å
91	F	86.7	Confident	88.8	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-67.8	-55.8	178.7	175.7	-94.1	0	0	0	112	R87 L88 G93 R94 R95 A227 A506 E510 L511 M514	R87-F91 VanDerWaalsContact O-CB 3.29Å; R87-F91 WeakPolarHBondContact O-CB 3.39Å; R87-F91 PolarHBondContact O-N 3.19Å; L88-F91 PolarHBondContact O-N 3.4Å; F91-G93 VanDerWaalsContact C-N 3.28Å; F91-G93 PolarHBondContact O-N 2.85Å; F91-R94 WeakPolarHBondContact O-CB 3.26Å; F91-R94 PolarHBondContact O-N 3.37Å; F91-R94 VanDerWaalsContact O-N 3.16Å; F91-R95 VanDerWaalsContact CE2-NE 3.29Å; F91-R95 VanDerWaalsContact CZ-NH2 3.33Å; F91-R95 WeakPolarHBondContact O-CD 3.27Å; F91-R95 PolarHBondContact O-N 2.96Å; F91-A227 HydrophobicContact CE2-CB 4.41Å; F91-A506 HydrophobicContact CE1-CB 3.82Å; F91-A506 HydrophobicContact CZ-CB 4.34Å; F91-E510 HydrophobicContact CE1-CB 4.44Å; F91-E510 HydrophobicContact CE2-CB 3.93Å; F91-E510 WeakPolarHBondContact CE2-OE2 3.43Å; F91-E510 HydrophobicContact CZ-CB 3.52Å; F91-E510 HydrophobicContact CZ-CG 4.43Å; F91-E510 WeakPolarHBondContact CZ-OE2 3.41Å; F91-L511 HydrophobicContact CD1-CD2 3.73Å; F91-L511 HydrophobicContact CE1-CD2 3.5Å; F91-L511 HydrophobicContact CE1-CG 4.32Å; F91-M514 HydrophobicContact CB-CG 3.91Å; F91-M514 HydrophobicContact CB-SD 3.92Å; F91-M514 HydrophobicContact CD1-CG 4.28Å; F91-M514 HydrophobicContact CD2-CE 3.68Å; F91-M514 HydrophobicContact CD2-CG 4.21Å; F91-M514 HydrophobicContact CD2-SD 4.02Å; F91-M514 HydrophobicContact CE2-CE 4.02Å; F91-M514 HydrophobicContact CG-CE 4.31Å; F91-M514 HydrophobicContact CG-CG 3.89Å; F91-M514 HydrophobicContact CG-SD 4.11Å
92	L	89.1	Confident	88.5	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-36.5	177.7	-65	173.3	0	0	0	111.3	L88 R94 R95 R96 W472 A506 L511 I647 T650	L88-L92 WeakPolarHBondContact O-CB 3.43Å; L88-L92 WeakPolarHBondContact O-CG 3.46Å; L88-L92 PolarHBondContact O-N 3.14Å; L92-R94 VanDerWaalsContact C-N 3.3Å; L92-R94 PolarHBondContact O-N 3.13Å; L92-R95 PolarHBondContact O-N 2.85Å; L92-R96 PolarHBondContact O-N 3.11Å; L92-W472 HydrophobicContact CB-CH2 3.98Å; L92-W472 HydrophobicContact CB-CZ2 3.91Å; L92-W472 HydrophobicContact CD2-CH2 3.48Å; L92-W472 VanDerWaalsContact CD2-CH2 3.48Å; L92-W472 HydrophobicContact CD2-CZ2 4.16Å; L92-W472 HydrophobicContact CD2-CZ3 3.73Å; L92-W472 HydrophobicContact CG-CH2 4.31Å; L92-A506 HydrophobicContact CD2-CB 4.32Å; L92-L511 HydrophobicContact CD2-CD2 3.69Å; L92-L511 HydrophobicContact CG-CD2 4.26Å; L92-I647 HydrophobicContact CD1-CG2 4.06Å; L92-T650 HydrophobicContact CD1-CG2 3.96Å
93	G	88.7	Confident	88.2	Confident	21 Å²	21	32 Å²	32	22%	0.216	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-36.4	174.9	0	0	0	0	0	113.3	E89 F91 R96 Q97	E89-G93 WeakPolarHBondContact O-CA 3.42Å; E89-G93 PolarHBondContact O-N 3.06Å; F91-G93 VanDerWaalsContact C-N 3.28Å; F91-G93 PolarHBondContact O-N 2.85Å; G93-R96 PolarHBondContact O-N 2.66Å; G93-Q97 VanDerWaalsContact O-CG 3.29Å; G93-Q97 WeakPolarHBondContact O-CG 3.34Å; G93-Q97 PolarHBondContact O-N 3.35Å
94	R	85.6	Confident	88	Confident	79 Å²	79	33.9 Å²	33.9	30%	0.298	18%	0.177	S	C	.	.	H	α-helix	trans	-65.6	-45.9	173.7	-81.6	-171.5	-60.2	-87.4	5.3	112.2	A90 F91 L92 R96 Q97 L98 E224	A90-R94 WeakPolarHBondContact O-CG 3.37Å; A90-R94 PolarHBondContact O-N 3.18Å; A90-R94 PolarHBondContact O-NH1 3.32Å; F91-R94 WeakPolarHBondContact O-CB 3.26Å; F91-R94 PolarHBondContact O-N 3.37Å; F91-R94 VanDerWaalsContact O-N 3.16Å; L92-R94 VanDerWaalsContact C-N 3.3Å; L92-R94 PolarHBondContact O-N 3.13Å; R94-R96 VanDerWaalsContact C-N 3.31Å; R94-R96 PolarHBondContact O-N 3.43Å; R94-Q97 WeakPolarHBondContact O-CB 3.49Å; R94-Q97 PolarHBondContact O-N 3.2Å; R94-Q97 VanDerWaalsContact O-N 3.13Å; R94-L98 PolarHBondContact O-N 3.21Å; R94-E224 WeakPolarHBondContact CB-OE1 3.34Å
95	R	87.4	Confident	87.5	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-64	-36.6	176.1	-74.9	77.6	174	95.5	8.4	112.1	F91 L92 L98 A99 E224 W472 V488 A504 E510	F91-R95 VanDerWaalsContact CE2-NE 3.29Å; F91-R95 VanDerWaalsContact CZ-NH2 3.33Å; F91-R95 WeakPolarHBondContact O-CD 3.27Å; F91-R95 PolarHBondContact O-N 2.96Å; L92-R95 PolarHBondContact O-N 2.85Å; R95-L98 VanDerWaalsContact O-CB 3.3Å; R95-L98 WeakPolarHBondContact O-CB 3.31Å; R95-L98 PolarHBondContact O-N 3.38Å; R95-A99 PolarHBondContact O-N 2.86Å; R95-E224 IonicContact CZ-OE2 3.52Å; R95-E224 IonicContact NH1-OE2 3.88Å; R95-E224 PolarHBondContact NH1-OE2 2.69Å; R95-W472 HydrophobicContact CB-CH2 4.28Å; R95-V488 HydrophobicContact CB-CG1 4.27Å; R95-A504 HydrophobicContact CB-CB 4.46Å; R95-E510 IonicContact CZ-OE2 2.64Å; R95-E510 IonicContact NH2-OE2 3.25Å; R95-E510 PolarHBondContact NH2-OE2 2.86Å
96	R	88.1	Confident	86.7	Confident	70 Å²	70	36.1 Å²	36.1	26%	0.264	18%	0.184	S	C	.	.	H	α-helix	trans	-60.5	-47.9	171.4	-169	-170.8	80.1	125.4	10.8	111.5	L92 G93 R94 L98 A99 E100 P470 V488 F490	L92-R96 PolarHBondContact O-N 3.11Å; G93-R96 PolarHBondContact O-N 2.66Å; R94-R96 VanDerWaalsContact C-N 3.31Å; R94-R96 PolarHBondContact O-N 3.43Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 3.48Å; R96-A99 PolarHBondContact O-N 2.95Å; R96-E100 VanDerWaalsContact O-CB 3.25Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 PolarHBondContact O-N 3.45Å; R96-P470 HydrophobicContact CG-CG 4.24Å; R96-V488 HydrophobicContact CG-CG2 4.39Å; R96-F490 HydrophobicContact CG-CE2 4.31Å; R96-F490 HydrophobicContact CG-CZ 4.09Å
97	Q	86.6	Confident	86.1	Confident	105 Å²	105	33.3 Å²	33.3	49%	0.491	17%	0.166	S	C	.	.	H	α-helix	trans	-62.6	-33.2	176.5	-71.4	171.4	23.1	0	0	112.4	G93 R94 A101	G93-Q97 VanDerWaalsContact O-CG 3.29Å; G93-Q97 WeakPolarHBondContact O-CG 3.34Å; G93-Q97 PolarHBondContact O-N 3.35Å; R94-Q97 WeakPolarHBondContact O-CB 3.49Å; R94-Q97 PolarHBondContact O-N 3.2Å; R94-Q97 VanDerWaalsContact O-N 3.13Å; Q97-A101 VanDerWaalsContact O-CB 3.29Å; Q97-A101 WeakPolarHBondContact O-CB 3.19Å; Q97-A101 PolarHBondContact O-N 3.45Å
98	L	85.1	Confident	85.5	Confident	1 Å²	1	34 Å²	34	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-55.1	174.4	-173.5	62.7	0	0	0	110.8	R94 R95 R96 E100 A101 I102 R220 Q231 A504	R94-L98 PolarHBondContact O-N 3.21Å; R95-L98 VanDerWaalsContact O-CB 3.3Å; R95-L98 WeakPolarHBondContact O-CB 3.31Å; R95-L98 PolarHBondContact O-N 3.38Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 3.48Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 3.21Å; L98-A101 PolarHBondContact O-N 3.4Å; L98-I102 HydrophobicContact CG-CD1 4.37Å; L98-I102 VanDerWaalsContact O-CG1 3.31Å; L98-I102 WeakPolarHBondContact O-CG1 3.27Å; L98-I102 PolarHBondContact O-N 2.93Å; L98-R220 HydrophobicContact CD1-CB 3.19Å; L98-R220 HydrophobicContact CD1-CG 3.88Å; L98-Q231 HydrophobicContact CD1-CG 4.34Å; L98-Q231 VanDerWaalsContact CD1-OE1 3.29Å; L98-Q231 HydrophobicContact CD2-CG 3.51Å; L98-Q231 HydrophobicContact CG-CG 3.91Å; L98-A504 HydrophobicContact CB-CB 4.4Å; L98-A504 HydrophobicContact CD2-CB 4.06Å; L98-A504 HydrophobicContact CG-CB 4.34Å
99	A	87.1	Confident	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-39.4	177.8	0	0	0	0	0	112.4	R95 R96 A101 I102 L103 V488 F490 A504	R95-A99 PolarHBondContact O-N 2.86Å; R96-A99 PolarHBondContact O-N 2.95Å; A99-A101 PolarHBondContact O-N 3.44Å; A99-I102 PolarHBondContact O-N 2.96Å; A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.47Å; A99-V488 HydrophobicContact CB-CG1 3.96Å; A99-F490 HydrophobicContact CB-CD2 3.73Å; A99-F490 HydrophobicContact CB-CE2 3.83Å; A99-A504 HydrophobicContact CB-CB 3.97Å
100	E	87.2	Confident	83.6	Confident	72 Å²	72	34.6 Å²	34.6	34%	0.336	18%	0.18	S	C	.	.	H	α-helix	trans	-63.9	-37.9	175.1	-175.8	177.6	-168.2	0	0	112.3	R96 L98 L103 N104 F490	R96-E100 VanDerWaalsContact O-CB 3.25Å; R96-E100 WeakPolarHBondContact O-CB 3.46Å; R96-E100 PolarHBondContact O-N 3.45Å; L98-E100 VanDerWaalsContact C-N 3.34Å; L98-E100 PolarHBondContact O-N 3.21Å; E100-L103 WeakPolarHBondContact O-CB 3.33Å; E100-L103 PolarHBondContact O-N 3.3Å; E100-N104 PolarHBondContact O-N 3.28Å; E100-N104 PolarHBondContact O-ND2 2.94Å; E100-N104 VanDerWaalsContact O-ND2 3.14Å; E100-F490 HydrophobicContact CB-CE2 4.19Å; E100-F490 HydrophobicContact CB-CZ 4.17Å
101	A	85.4	Confident	82.9	Confident	8 Å²	8	37.5 Å²	37.5	7%	0.066	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-39.8	174.9	0	0	0	0	0	112.1	Q97 L98 A99 R105 R220	Q97-A101 VanDerWaalsContact O-CB 3.29Å; Q97-A101 WeakPolarHBondContact O-CB 3.19Å; Q97-A101 PolarHBondContact O-N 3.45Å; L98-A101 PolarHBondContact O-N 3.4Å; A99-A101 PolarHBondContact O-N 3.44Å; A101-R105 PolarHBondContact O-N 2.84Å; A101-R220 HydrophobicContact CB-CG 4.46Å
102	I	84.1	Confident	82.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64	-47.6	174.5	-60	159.2	0	0	0	109.1	L98 A99 N104 R105 S106 L213 I216 F217 Q231 V502	L98-I102 HydrophobicContact CG-CD1 4.37Å; L98-I102 VanDerWaalsContact O-CG1 3.31Å; L98-I102 WeakPolarHBondContact O-CG1 3.27Å; L98-I102 PolarHBondContact O-N 2.93Å; A99-I102 PolarHBondContact O-N 2.96Å; I102-N104 PolarHBondContact O-N 3.37Å; I102-R105 PolarHBondContact O-N 2.96Å; I102-S106 WeakPolarHBondContact O-CB 3.41Å; I102-S106 PolarHBondContact O-N 3.17Å; I102-S106 PolarHBondContact O-OG 2.82Å; I102-L213 HydrophobicContact CG2-CD2 4.43Å; I102-I216 HydrophobicContact CG1-CG2 4.14Å; I102-F217 HydrophobicContact CD1-CD1 4Å; I102-F217 HydrophobicContact CD1-CE1 3.7Å; I102-F217 HydrophobicContact CG1-CD1 4.06Å; I102-F217 HydrophobicContact CG1-CE1 3.82Å; I102-F217 HydrophobicContact CG2-CE1 3.87Å; I102-F217 HydrophobicContact CG2-CZ 4.47Å; I102-Q231 HydrophobicContact CD1-CB 4Å; I102-Q231 HydrophobicContact CD1-CG 4.1Å; I102-V502 HydrophobicContact CB-CB 4.42Å; I102-V502 HydrophobicContact CB-CG1 4.37Å; I102-V502 HydrophobicContact CG2-CB 3.96Å; I102-V502 HydrophobicContact CG2-CG1 3.52Å
103	L	85.6	Confident	81.1	Confident	16 Å²	16	44.1 Å²	44.1	8%	0.084	22%	0.221	C	C	.	.	H	α-helix	trans	-51.5	-55.5	176.2	172.4	66.3	0	0	0	112.1	A99 E100 R105 S106 A107 F490 P491 V492 V502	A99-L103 WeakPolarHBondContact O-CB 3.49Å; A99-L103 PolarHBondContact O-N 3.47Å; E100-L103 WeakPolarHBondContact O-CB 3.33Å; E100-L103 PolarHBondContact O-N 3.3Å; L103-R105 PolarHBondContact O-N 3.13Å; L103-S106 PolarHBondContact O-N 3.21Å; L103-A107 WeakPolarHBondContact O-CB 3.39Å; L103-A107 PolarHBondContact O-N 2.59Å; L103-F490 HydrophobicContact CB-CB 4.42Å; L103-F490 HydrophobicContact CD1-CB 4.26Å; L103-F490 HydrophobicContact CD2-CB 3.92Å; L103-F490 HydrophobicContact CD2-CD1 3.87Å; L103-F490 HydrophobicContact CD2-CG 4Å; L103-F490 HydrophobicContact CG-CB 4.42Å; L103-P491 VanDerWaalsContact CD1-O 3.24Å; L103-P491 WeakPolarHBondContact CD1-O 3.39Å; L103-V492 HydrophobicContact CD1-CB 4.38Å; L103-V492 HydrophobicContact CD1-CG2 4.01Å; L103-V502 HydrophobicContact CB-CG2 3.85Å; L103-V502 HydrophobicContact CD1-CG2 4.49Å
104	N	85	Confident	80	Confident	100 Å²	100	47.1 Å²	47.1	54%	0.535	23%	0.228	S	C	.	.	H	α-helix	trans	-59.6	-35.8	-176.4	-75.6	-35.1	0	0	0	112	E100 I102 S108	E100-N104 PolarHBondContact O-N 3.28Å; E100-N104 PolarHBondContact O-ND2 2.94Å; E100-N104 VanDerWaalsContact O-ND2 3.14Å; I102-N104 PolarHBondContact O-N 3.37Å; N104-S108 WeakPolarHBondContact O-CB 3.36Å; N104-S108 PolarHBondContact O-N 2.87Å; N104-S108 VanDerWaalsContact O-N 3.12Å; N104-S108 PolarHBondContact O-OG 2.65Å
105	R	81.5	Confident	78.9	Confident	72 Å²	72	48.6 Å²	48.6	27%	0.272	24%	0.238	S	C	.	.	H	α-helix	trans	-73.8	-48.4	175.3	-171.3	72.6	160.5	179	1.4	111.9	A101 I102 L103 A107 S108 F109 L213 E215 I216	A101-R105 PolarHBondContact O-N 2.84Å; I102-R105 PolarHBondContact O-N 2.96Å; L103-R105 PolarHBondContact O-N 3.13Å; R105-A107 VanDerWaalsContact C-N 3.28Å; R105-A107 PolarHBondContact O-N 2.94Å; R105-S108 WeakPolarHBondContact CA-OG 3.49Å; R105-S108 PolarHBondContact O-N 2.86Å; R105-S108 PolarHBondContact O-OG 3.11Å; R105-F109 HydrophobicContact CG-CD2 3.87Å; R105-F109 HydrophobicContact CG-CE2 4.09Å; R105-F109 VanDerWaalsContact CZ-CZ 3.46Å; R105-F109 WeakPolarHBondContact O-CD2 3.42Å; R105-F109 PolarHBondContact O-N 3.36Å; R105-L213 HydrophobicContact CB-CD2 4.4Å; R105-L213 HydrophobicContact CG-CD2 4.18Å; R105-E215 IonicContact NH2-OE2 2.84Å; R105-E215 PolarHBondContact NH2-OE2 3.43Å; R105-I216 HydrophobicContact CB-CD1 3.29Å; R105-I216 HydrophobicContact CB-CG1 4.2Å; R105-I216 HydrophobicContact CG-CD1 3.41Å; R105-I216 VanDerWaalsContact CG-CD1 3.41Å; R105-I216 HydrophobicContact CG-CG1 3.85Å
106	S	76.7	Confident	77.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-55.4	-45.5	176.6	-59.6	0	0	0	0	111.4	I102 L103 A110 L213	I102-S106 WeakPolarHBondContact O-CB 3.41Å; I102-S106 PolarHBondContact O-N 3.17Å; I102-S106 PolarHBondContact O-OG 2.82Å; L103-S106 PolarHBondContact O-N 3.21Å; S106-A110 VanDerWaalsContact O-CB 3.22Å; S106-A110 WeakPolarHBondContact O-CB 3.16Å; S106-A110 PolarHBondContact O-N 2.85Å; S106-L213 VanDerWaalsContact OG-CD2 3.3Å; S106-L213 WeakPolarHBondContact OG-CD2 3.37Å
107	A	77.9	Confident	76.2	Confident	16 Å²	16	52.7 Å²	52.7	13%	0.132	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-41.2	178.7	0	0	0	0	0	112.5	L103 R105 K111	L103-A107 WeakPolarHBondContact O-CB 3.39Å; L103-A107 PolarHBondContact O-N 2.59Å; R105-A107 VanDerWaalsContact C-N 3.28Å; R105-A107 PolarHBondContact O-N 2.94Å; A107-K111 WeakPolarHBondContact O-CB 3.38Å; A107-K111 VanDerWaalsContact O-CG 3.24Å; A107-K111 WeakPolarHBondContact O-CG 3.44Å; A107-K111 PolarHBondContact O-N 2.82Å
108	S	78.1	Confident	75	Confident	57 Å²	57	52.7 Å²	52.7	40%	0.399	26%	0.263	S	S	.	.	H	α-helix	trans	-68.6	-40.2	178.2	51	0	0	0	0	112.9	N104 R105 K111 L112	N104-S108 WeakPolarHBondContact O-CB 3.36Å; N104-S108 PolarHBondContact O-N 2.87Å; N104-S108 VanDerWaalsContact O-N 3.12Å; N104-S108 PolarHBondContact O-OG 2.65Å; R105-S108 WeakPolarHBondContact CA-OG 3.49Å; R105-S108 PolarHBondContact O-N 2.86Å; R105-S108 PolarHBondContact O-OG 3.11Å; S108-K111 WeakPolarHBondContact O-CB 3.49Å; S108-K111 PolarHBondContact O-N 3.2Å; S108-L112 PolarHBondContact O-N 3.02Å
109	F	73.8	Confident	73.6	Confident	48 Å²	48	57.7 Å²	57.7	21%	0.211	29%	0.286	C	S	.	.	H	α-helix	trans	-69.1	-43.5	176.2	-87.9	-96.4	0	0	0	112	R105 K111 L112 V113 W209 S212	R105-F109 HydrophobicContact CG-CD2 3.87Å; R105-F109 HydrophobicContact CG-CE2 4.09Å; R105-F109 VanDerWaalsContact CZ-CZ 3.46Å; R105-F109 WeakPolarHBondContact O-CD2 3.42Å; R105-F109 PolarHBondContact O-N 3.36Å; F109-K111 VanDerWaalsContact C-N 3.26Å; F109-K111 PolarHBondContact O-N 3.45Å; F109-L112 PolarHBondContact O-N 3.16Å; F109-L112 VanDerWaalsContact O-N 3.11Å; F109-V113 WeakPolarHBondContact O-CG2 3.31Å; F109-V113 PolarHBondContact O-N 3.45Å; F109-W209 HydrophobicContact CB-CE3 4.25Å; F109-S212 WeakPolarHBondContact CD1-OG 3.46Å
110	A	68.3	Low	71.8	Confident	7 Å²	7	58.7 Å²	58.7	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-37.4	175.2	0	0	0	0	0	111.8	S106 F114 A494	S106-A110 VanDerWaalsContact O-CB 3.22Å; S106-A110 WeakPolarHBondContact O-CB 3.16Å; S106-A110 PolarHBondContact O-N 2.85Å; A110-F114 WeakPolarHBondContact O-CB 3.14Å; A110-F114 PolarHBondContact O-N 2.8Å; A110-F114 VanDerWaalsContact O-N 3.07Å; A110-A494 HydrophobicContact CB-CB 3.39Å
111	K	72.1	Confident	70	Confident	108 Å²	108	61.8 Å²	61.8	47%	0.47	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-47.3	171	-77.3	175.3	-178.9	-177.3	0	112.2	A107 S108 F109 F114 Q115 A494	A107-K111 WeakPolarHBondContact O-CB 3.38Å; A107-K111 VanDerWaalsContact O-CG 3.24Å; A107-K111 WeakPolarHBondContact O-CG 3.44Å; A107-K111 PolarHBondContact O-N 2.82Å; S108-K111 WeakPolarHBondContact O-CB 3.49Å; S108-K111 PolarHBondContact O-N 3.2Å; F109-K111 VanDerWaalsContact C-N 3.26Å; F109-K111 PolarHBondContact O-N 3.45Å; K111-F114 PolarHBondContact O-N 3.32Å; K111-Q115 WeakPolarHBondContact O-CB 3.4Å; K111-Q115 PolarHBondContact O-N 3.07Å; K111-A494 HydrophobicContact CG-CB 4.49Å
112	L	71.5	Confident	68.3	Low	93 Å²	93	68.2 Å²	68.2	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-47.7	179.3	-177.8	68.7	0	0	0	111.9	S108 F109 F114 Q115 I116	S108-L112 PolarHBondContact O-N 3.02Å; F109-L112 PolarHBondContact O-N 3.16Å; F109-L112 VanDerWaalsContact O-N 3.11Å; L112-F114 VanDerWaalsContact C-N 3.31Å; L112-F114 PolarHBondContact O-N 3.04Å; L112-Q115 PolarHBondContact O-N 2.06Å; L112-Q115 VanDerWaalsContact O-N 3.13Å; L112-I116 HydrophobicContact CD1-CD1 4.44Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 3.45Å
113	V	68.3	Low	66.4	Low	51 Å²	51	72.1 Å²	72.1	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-58.9	-45.7	177.9	171.3	0	0	0	0	110.5	F109 Q115 I116 L117 W209	F109-V113 WeakPolarHBondContact O-CG2 3.31Å; F109-V113 PolarHBondContact O-N 3.45Å; V113-Q115 VanDerWaalsContact C-N 3.33Å; V113-Q115 PolarHBondContact O-N 2.89Å; V113-I116 PolarHBondContact O-N 3.17Å; V113-L117 HydrophobicContact CG1-CD1 3.98Å; V113-L117 WeakPolarHBondContact O-CB 3.28Å; V113-L117 VanDerWaalsContact O-CG 3.26Å; V113-L117 WeakPolarHBondContact O-CG 3.45Å; V113-L117 PolarHBondContact O-N 3.12Å; V113-W209 HydrophobicContact CG2-CB 3.9Å
114	F	65.4	Low	64.2	Low	85 Å²	85	76.2 Å²	76.2	37%	0.373	40%	0.397	S	S	.	.	H	α-helix	trans	-63.2	-38.9	175.9	-177.7	-92	0	0	0	112.7	A110 K111 L112 L117 K118 N495	A110-F114 WeakPolarHBondContact O-CB 3.14Å; A110-F114 PolarHBondContact O-N 2.8Å; A110-F114 VanDerWaalsContact O-N 3.07Å; K111-F114 PolarHBondContact O-N 3.32Å; L112-F114 VanDerWaalsContact C-N 3.31Å; L112-F114 PolarHBondContact O-N 3.04Å; F114-L117 PolarHBondContact O-N 3.36Å; F114-K118 HydrophobicContact CE1-CD 4.31Å; F114-K118 WeakPolarHBondContact O-CB 3.22Å; F114-K118 PolarHBondContact O-N 3.24Å; F114-N495 WeakPolarHBondContact CB-ND2 3.33Å; F114-N495 HydrophobicContact CD1-CB 4.29Å; F114-N495 WeakPolarHBondContact CD1-ND2 3.4Å; F114-N495 HydrophobicContact CE1-CB 4.3Å; F114-N495 HydrophobicContact CG-CB 4.47Å; F114-N495 WeakPolarHBondContact CG-ND2 3.39Å
115	Q	62.4	Low	61.9	Low	109 Å²	109	83.1 Å²	83.1	51%	0.509	42%	0.417	S	S	.	.	H	α-helix	trans	-66.7	-41.2	178	-176.6	148	-6.9	0	0	111.8	K111 L112 V113 L117 K118 E119	K111-Q115 WeakPolarHBondContact O-CB 3.4Å; K111-Q115 PolarHBondContact O-N 3.07Å; L112-Q115 PolarHBondContact O-N 2.06Å; L112-Q115 VanDerWaalsContact O-N 3.13Å; V113-Q115 VanDerWaalsContact C-N 3.33Å; V113-Q115 PolarHBondContact O-N 2.89Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.36Å; Q115-K118 PolarHBondContact O-N 3.12Å; Q115-E119 HydrophobicContact CG-CG 4.27Å; Q115-E119 VanDerWaalsContact CG-OE1 3.28Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.18Å; Q115-E119 PolarHBondContact NE2-OE1 3.44Å; Q115-E119 WeakPolarHBondContact O-CB 3.31Å; Q115-E119 WeakPolarHBondContact O-CG 3.41Å; Q115-E119 PolarHBondContact O-N 3.45Å
116	I	61	Low	59.7	Low	76 Å²	76	82.7 Å²	82.7	39%	0.39	44%	0.435	S	S	.	.	H	α-helix	trans	-59.1	-45.8	172.3	-67.1	165.7	0	0	0	110.2	L112 V113 K118 S120 F128	L112-I116 HydrophobicContact CD1-CD1 4.44Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.29Å; L112-I116 PolarHBondContact O-N 3.45Å; V113-I116 PolarHBondContact O-N 3.17Å; I116-K118 VanDerWaalsContact C-N 3.34Å; I116-K118 PolarHBondContact O-N 3.44Å; I116-S120 WeakPolarHBondContact O-CB 3.37Å; I116-S120 PolarHBondContact O-N 3.42Å; I116-F128 HydrophobicContact CG2-CE1 4.07Å; I116-F128 HydrophobicContact CG2-CZ 4.24Å
117	L	58.3	Low	57.6	Low	82 Å²	82	89.1 Å²	89.1	43%	0.429	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-37.2	176.9	-70.9	169.5	0	0	0	112.4	V113 F114 Q115 S120 L121	V113-L117 HydrophobicContact CG1-CD1 3.98Å; V113-L117 WeakPolarHBondContact O-CB 3.28Å; V113-L117 VanDerWaalsContact O-CG 3.26Å; V113-L117 WeakPolarHBondContact O-CG 3.45Å; V113-L117 PolarHBondContact O-N 3.12Å; F114-L117 PolarHBondContact O-N 3.36Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.36Å; L117-S120 WeakPolarHBondContact O-CB 3.47Å; L117-L121 WeakPolarHBondContact O-CB 3.24Å; L117-L121 WeakPolarHBondContact O-CD1 3.4Å; L117-L121 PolarHBondContact O-N 3.24Å; L117-L121 VanDerWaalsContact O-N 3.1Å
118	K	60.5	Low	55.5	Low	106 Å²	106	94.1 Å²	94.1	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-71.9	-47.4	179.2	-172.5	-178.3	174.7	-174.7	0	112	F114 Q115 I116 S120 L121 E122	F114-K118 HydrophobicContact CE1-CD 4.31Å; F114-K118 WeakPolarHBondContact O-CB 3.22Å; F114-K118 PolarHBondContact O-N 3.24Å; Q115-K118 PolarHBondContact O-N 3.12Å; I116-K118 VanDerWaalsContact C-N 3.34Å; I116-K118 PolarHBondContact O-N 3.44Å; K118-S120 PolarHBondContact O-N 3.08Å; K118-L121 PolarHBondContact O-N 2.84Å; K118-E122 WeakPolarHBondContact CE-OE1 3.43Å; K118-E122 IonicContact NZ-OE1 3.8Å; K118-E122 PolarHBondContact O-N 3.21Å
119	E	56.2	Low	53.6	Low	106 Å²	106	99.5 Å²	99.5	50%	0.495	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-36.2	176.5	-72.7	173.4	-172.2	0	0	110.9	Q115 L121 S123	Q115-E119 HydrophobicContact CG-CG 4.27Å; Q115-E119 VanDerWaalsContact CG-OE1 3.28Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.18Å; Q115-E119 PolarHBondContact NE2-OE1 3.44Å; Q115-E119 WeakPolarHBondContact O-CB 3.31Å; Q115-E119 WeakPolarHBondContact O-CG 3.41Å; Q115-E119 PolarHBondContact O-N 3.45Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-L121 PolarHBondContact O-N 3.03Å; E119-S123 WeakPolarHBondContact O-CB 3.47Å; E119-S123 PolarHBondContact O-N 3.13Å; E119-S123 VanDerWaalsContact O-N 3.13Å
120	S	49.7	Very low	52.1	Low	20 Å²	20	105.5 Å²	105.5	14%	0.14	54%	0.535	C	S	.	.	H	α-helix	trans	-61.3	-35.2	169.5	155.6	0	0	0	0	114	I116 L117 K118 F128	I116-S120 WeakPolarHBondContact O-CB 3.37Å; I116-S120 PolarHBondContact O-N 3.42Å; L117-S120 WeakPolarHBondContact O-CB 3.47Å; K118-S120 PolarHBondContact O-N 3.08Å; S120-F128 WeakPolarHBondContact OG-CB 3.39Å; S120-F128 VanDerWaalsContact OG-CD2 3.25Å; S120-F128 WeakPolarHBondContact OG-CD2 3.46Å; S120-F128 WeakPolarHBondContact OG-CG 3.28Å
121	L	48.4	Very low	51.3	Low	138 Å²	138	109.7 Å²	109.7	72%	0.723	56%	0.56	S	S	*	*	H	α-helix	trans	-82	-31.3	-179	-108.8	121.9	0	0	0	112.6	L117 K118 E119	L117-L121 WeakPolarHBondContact O-CB 3.24Å; L117-L121 WeakPolarHBondContact O-CD1 3.4Å; L117-L121 PolarHBondContact O-N 3.24Å; L117-L121 VanDerWaalsContact O-N 3.1Å; K118-L121 PolarHBondContact O-N 2.84Å; E119-L121 VanDerWaalsContact C-N 3.33Å; E119-L121 PolarHBondContact O-N 3.03Å
122	E	48.7	Very low	50.3	Low	143 Å²	143	108 Å²	108	67%	0.668	56%	0.556	S	S	*	*	H	α-helix	trans	-81.5	-24.9	178.4	-71.8	177.9	177.7	0	0	112.6	K118 S124	K118-E122 WeakPolarHBondContact CE-OE1 3.43Å; K118-E122 IonicContact NZ-OE1 3.8Å; K118-E122 PolarHBondContact O-N 3.21Å; E122-S124 PolarHBondContact O-N 2.93Å
123	S	45.2	Very low	49.8	Very low	81 Å²	81	111 Å²	111	57%	0.566	56%	0.561	S	S	*	*	S	Bend	trans	-90.1	81.9	173.2	166.9	0	0	0	0	111.5	E119	E119-S123 WeakPolarHBondContact O-CB 3.47Å; E119-S123 PolarHBondContact O-N 3.13Å; E119-S123 VanDerWaalsContact O-N 3.13Å
124	S	39.5	Very low	49.3	Very low	102 Å²	102	111.9 Å²	111.9	71%	0.713	57%	0.569	S	S	*	*			trans	42	95.1	161	-62.4	0	0	0	0	116.7	E122 G126	E122-S124 PolarHBondContact O-N 2.93Å; S124-G126 PolarHBondContact O-N 2.83Å
125	Y	36.5	Very low	49.4	Very low	245 Å²	245	109.5 Å²	109.5	96%	0.961	56%	0.562	S	S	*	*	S	Bend	trans	17	19.2	146.3	-92.7	-81.8	0	0	0	123.3
126	G	34.7	Very low	49.7	Very low	63 Å²	63	104.9 Å²	104.9	65%	0.649	54%	0.54	S	S	*	.	S	Bend	trans	-154.7	3.4	-164.6	0	0	0	0	0	117.8	S124	S124-G126 PolarHBondContact O-N 2.83Å
127	L	33.7	Very low	50.3	Low	136 Å²	136	103 Å²	103	71%	0.712	53%	0.531	S	S	*	.	S	Bend	trans	-140.9	16.8	-175.1	-132.5	84.4	0	0	0	116.8
128	F	32.6	Very low	50.9	Low	121 Å²	121	102.3 Å²	102.3	53%	0.531	53%	0.528	S	S	.	.	S	Bend	trans	-134.4	21.6	174.6	-97.3	-88.9	0	0	0	114.6	I116 S120 E130	I116-F128 HydrophobicContact CG2-CE1 4.07Å; I116-F128 HydrophobicContact CG2-CZ 4.24Å; S120-F128 WeakPolarHBondContact OG-CB 3.39Å; S120-F128 VanDerWaalsContact OG-CD2 3.25Å; S120-F128 WeakPolarHBondContact OG-CD2 3.46Å; S120-F128 WeakPolarHBondContact OG-CG 3.28Å; F128-E130 PolarHBondContact O-N 2.86Å
129	H	38.8	Very low	51.4	Low	170 Å²	170	100.7 Å²	100.7	79%	0.787	52%	0.524	S	S	*	.			trans	-79.7	11.3	154.1	-101.6	-77.1	0	0	0	112.4	D132	H129-D132 WeakPolarHBondContact O-CA 3.4Å; H129-D132 PolarHBondContact O-N 2.89Å
130	E	43	Very low	52.3	Low	174 Å²	174	102.9 Å²	102.9	81%	0.813	54%	0.539	S	S	*	.			trans	-100.3	20	-177.5	-113.5	178.5	-172.8	0	0	114.6	F128	F128-E130 PolarHBondContact O-N 2.86Å
131	V	50	Low	53.4	Low	94 Å²	94	103 Å²	103	57%	0.57	54%	0.54	S	S	*	.	S	Bend	trans	-111.4	81.3	131.1	-165	0	0	0	0	104.2	R133 I136	V131-R133 PolarHBondContact O-N 3.47Å; V131-I136 HydrophobicContact CG1-CD1 3.5Å; V131-I136 HydrophobicContact CG1-CG1 3.63Å
132	D	52.8	Low	54.5	Low	74 Å²	74	106.4 Å²	106.4	40%	0.396	55%	0.549	S	S	.	.			trans	-55.1	109	178.4	-173.2	-7.8	0	0	0	105.8	H129 S134 V135	H129-D132 WeakPolarHBondContact O-CA 3.4Å; H129-D132 PolarHBondContact O-N 2.89Å; D132-S134 PolarHBondContact O-N 3.48Å; D132-S134 PolarHBondContact OD1-OG 2.85Å; D132-S134 PolarHBondContact OD2-OG 3.46Å; D132-V135 HydrophobicContact CB-CB 4.01Å; D132-V135 HydrophobicContact CB-CG2 3.46Å; D132-V135 VanDerWaalsContact CB-CG2 3.46Å; D132-V135 WeakPolarHBondContact O-CA 3.21Å; D132-V135 VanDerWaalsContact O-CB 3.26Å; D132-V135 WeakPolarHBondContact O-CB 3.39Å; D132-V135 PolarHBondContact O-N 3.36Å
133	R	59.7	Low	55.5	Low	156 Å²	156	105.1 Å²	105.1	59%	0.589	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.5	-168.8	-70.7	-179	179.4	176.5	-0.4	111	V131 P201	V131-R133 PolarHBondContact O-N 3.47Å; R133-P201 HydrophobicContact CB-CB 4.02Å; R133-P201 WeakPolarHBondContact O-CB 3.32Å
134	S	58.8	Low	57.1	Low	69 Å²	69	102.2 Å²	102.2	48%	0.483	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-33.3	171.2	69.5	0	0	0	0	113.4	D132 N137 D138	D132-S134 PolarHBondContact O-N 3.48Å; D132-S134 PolarHBondContact OD1-OG 2.85Å; D132-S134 PolarHBondContact OD2-OG 3.46Å; S134-N137 PolarHBondContact O-N 3.38Å; S134-D138 PolarHBondContact O-N 2.73Å
135	V	67.5	Low	59.1	Low	35 Å²	35	98.9 Å²	98.9	21%	0.212	50%	0.496	C	S	.	.	G	3₁₀ helix	trans	-74.8	-32.7	-173	175.9	0	0	0	0	112.9	D132 N137 D138 S141 D143	D132-V135 HydrophobicContact CB-CB 4.01Å; D132-V135 HydrophobicContact CB-CG2 3.46Å; D132-V135 VanDerWaalsContact CB-CG2 3.46Å; D132-V135 WeakPolarHBondContact O-CA 3.21Å; D132-V135 VanDerWaalsContact O-CB 3.26Å; D132-V135 WeakPolarHBondContact O-CB 3.39Å; D132-V135 PolarHBondContact O-N 3.36Å; V135-N137 PolarHBondContact O-N 3.41Å; V135-D138 PolarHBondContact O-N 2.94Å; V135-D138 VanDerWaalsContact O-N 3.13Å; V135-S141 WeakPolarHBondContact CG1-OG 3.3Å; V135-S141 WeakPolarHBondContact O-CB 3.39Å; V135-D143 HydrophobicContact CG1-CB 4.15Å
136	I	68.7	Low	61.3	Low	11 Å²	11	92.5 Å²	92.5	6%	0.056	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-60	-29.3	175.2	-52.2	179	0	0	0	111.2	V131 Y145 R199 L204 I208	V131-I136 HydrophobicContact CG1-CD1 3.5Å; V131-I136 HydrophobicContact CG1-CG1 3.63Å; I136-Y145 PolarHBondContact O-N 2.91Å; I136-R199 PolarHBondContact O-NH2 3.16Å; I136-L204 HydrophobicContact CG2-CB 4.24Å; I136-L204 HydrophobicContact CG2-CD1 4.11Å; I136-I208 HydrophobicContact CD1-CD1 3.99Å; I136-I208 HydrophobicContact CG2-CD1 3.99Å
137	N	72.4	Confident	63.8	Low	37 Å²	37	89.8 Å²	89.8	20%	0.198	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-106.6	7.4	-179.8	-162.3	33.8	0	0	0	114.2	S134 V135 R199 L204	S134-N137 PolarHBondContact O-N 3.38Å; V135-N137 PolarHBondContact O-N 3.41Å; N137-R199 PolarHBondContact ND2-O 3.21Å; N137-R199 WeakPolarHBondContact OD1-CB 3.42Å; N137-R199 PolarHBondContact OD1-NE 3.25Å; N137-R199 PolarHBondContact OD1-NH2 2.9Å; N137-L204 HydrophobicContact CB-CD1 4.06Å
138	D	71.3	Confident	66.5	Low	67 Å²	67	83.6 Å²	83.6	36%	0.358	41%	0.408	S	S	.	.			trans	-86	112.5	172.8	-178.2	3.8	0	0	0	109.6	S134 V135 N140 S141 F144	S134-D138 PolarHBondContact O-N 2.73Å; V135-D138 PolarHBondContact O-N 2.94Å; V135-D138 VanDerWaalsContact O-N 3.13Å; D138-N140 PolarHBondContact O-N 3.44Å; D138-N140 VanDerWaalsContact O-N 3.07Å; D138-N140 WeakPolarHBondContact OD1-CB 3.38Å; D138-N140 PolarHBondContact OD1-N 3.38Å; D138-N140 PolarHBondContact OD1-ND2 2.93Å; D138-S141 WeakPolarHBondContact O-CB 3.32Å; D138-S141 PolarHBondContact O-N 3.05Å; D138-F144 WeakPolarHBondContact O-CD2 3.38Å
139	L	71.6	Confident	69.1	Low	73 Å²	73	78.9 Å²	78.9	38%	0.382	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-26.9	175.7	-84.4	169.5	0	0	0	113.5	F144 L162 N165	L139-F144 HydrophobicContact CD2-CD2 4.35Å; L139-F144 HydrophobicContact CD2-CE1 4.4Å; L139-F144 HydrophobicContact CD2-CE2 3.73Å; L139-F144 HydrophobicContact CD2-CZ 3.76Å; L139-F144 HydrophobicContact CG-CE2 4.03Å; L139-L162 HydrophobicContact CD1-CD2 3.2Å; L139-L162 HydrophobicContact CD1-CG 3.55Å; L139-L162 HydrophobicContact CD2-CD2 4.21Å; L139-L162 HydrophobicContact CG-CD2 3.55Å; L139-L162 HydrophobicContact CG-CG 4.37Å; L139-N165 HydrophobicContact CD2-CB 4.25Å
140	N	73.6	Confident	71.5	Confident	151 Å²	151	70.8 Å²	70.8	81%	0.807	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-9	-178.8	-57.8	-53.6	0	0	0	112.8	D138	D138-N140 PolarHBondContact O-N 3.44Å; D138-N140 VanDerWaalsContact O-N 3.07Å; D138-N140 WeakPolarHBondContact OD1-CB 3.38Å; D138-N140 PolarHBondContact OD1-N 3.38Å; D138-N140 PolarHBondContact OD1-ND2 2.93Å
141	S	74.1	Confident	73.4	Confident	23 Å²	23	64.2 Å²	64.2	16%	0.161	32%	0.32	C	S	.	.	S	Bend	trans	-77.7	145.2	176.4	-178.7	0	0	0	0	111.5	V135 D138 D143 F144	V135-S141 WeakPolarHBondContact CG1-OG 3.3Å; V135-S141 WeakPolarHBondContact O-CB 3.39Å; D138-S141 WeakPolarHBondContact O-CB 3.32Å; D138-S141 PolarHBondContact O-N 3.05Å; S141-D143 PolarHBondContact O-N 3.42Å; S141-D143 PolarHBondContact OG-N 3.26Å; S141-F144 WeakPolarHBondContact O-CB 3.32Å; S141-F144 PolarHBondContact O-N 2.9Å
142	K	72.1	Confident	74.3	Confident	209 Å²	209	63 Å²	63	91%	0.909	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.2	167.4	-67.9	-174.8	179.7	179.3	0	112.4	F144	K142-F144 VanDerWaalsContact C-N 3.31Å
143	D	69.9	Low	74.8	Confident	116 Å²	116	61.4 Å²	61.4	62%	0.62	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	13.6	-178.2	-52.1	-43.9	0	0	0	112.4	V135 S141 Y145	V135-D143 HydrophobicContact CG1-CB 4.15Å; S141-D143 PolarHBondContact O-N 3.42Å; S141-D143 PolarHBondContact OG-N 3.26Å; D143-Y145 PolarHBondContact O-N 3.31Å
144	F	77.1	Confident	74.6	Confident	20 Å²	20	61 Å²	61	9%	0.088	32%	0.318	C	S	.	.			trans	-58.3	109.6	174.1	-179.1	-94.5	0	0	0	110.6	D138 L139 S141 K142 R146 N165	D138-F144 WeakPolarHBondContact O-CD2 3.38Å; L139-F144 HydrophobicContact CD2-CD2 4.35Å; L139-F144 HydrophobicContact CD2-CE1 4.4Å; L139-F144 HydrophobicContact CD2-CE2 3.73Å; L139-F144 HydrophobicContact CD2-CZ 3.76Å; L139-F144 HydrophobicContact CG-CE2 4.03Å; S141-F144 WeakPolarHBondContact O-CB 3.32Å; S141-F144 PolarHBondContact O-N 2.9Å; K142-F144 VanDerWaalsContact C-N 3.31Å; F144-R146 HydrophobicContact CD1-CG 3.82Å; F144-R146 HydrophobicContact CE1-CG 3.83Å; F144-N165 WeakPolarHBondContact CE1-O 3.47Å
145	Y	81.6	Confident	74.3	Confident	33 Å²	33	63.3 Å²	63.3	13%	0.129	33%	0.325	C	S	.	.			trans	-78.2	131.4	-175	-176.3	-105.3	0	0	0	111.7	I136 D143 F147 R199 L204 I207 I208 E211	I136-Y145 PolarHBondContact O-N 2.91Å; D143-Y145 PolarHBondContact O-N 3.31Å; Y145-F147 HydrophobicContact CD1-CD1 4.19Å; Y145-F147 HydrophobicContact CE1-CB 4.03Å; Y145-F147 HydrophobicContact CE1-CD1 4.01Å; Y145-F147 HydrophobicContact CE1-CG 4.48Å; Y145-R199 PolarHBondContact O-NH1 2.8Å; Y145-L204 HydrophobicContact CD1-CD2 4.44Å; Y145-I207 HydrophobicContact CE1-CG2 3.9Å; Y145-I208 HydrophobicContact CD1-CD1 4.32Å; Y145-I208 HydrophobicContact CD1-CG1 3.71Å; Y145-I208 HydrophobicContact CD2-CD1 4.23Å; Y145-I208 HydrophobicContact CD2-CG1 3.71Å; Y145-I208 HydrophobicContact CE1-CG1 3.68Å; Y145-I208 HydrophobicContact CE2-CB 4.48Å; Y145-I208 HydrophobicContact CE2-CG1 3.69Å; Y145-I208 HydrophobicContact CG-CD1 4.05Å; Y145-I208 HydrophobicContact CG-CG1 3.72Å; Y145-E211 WeakPolarHBondContact CE2-OE2 3.42Å; Y145-E211 PolarHBondContact OH-OE2 3.42Å
146	R	83.9	Confident	73.5	Confident	111 Å²	111	69.1 Å²	69.1	42%	0.419	34%	0.343	S	S	.	.			trans	-118.6	141.1	177.4	-61.2	178	-175.6	-118.7	-7.1	109.7	F144 N165 S166 I168	F144-R146 HydrophobicContact CD1-CG 3.82Å; F144-R146 HydrophobicContact CE1-CG 3.83Å; R146-N165 PolarHBondContact NH1-O 2.89Å; R146-N165 PolarHBondContact NH2-O 2.92Å; R146-S166 WeakPolarHBondContact CA-O 3.34Å; R146-I168 HydrophobicContact CB-CD1 4.36Å; R146-I168 HydrophobicContact CB-CG1 3.74Å
147	F	87.1	Confident	72.4	Confident	5 Å²	5	77.7 Å²	77.7	2%	0.022	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-136.3	163.5	172.5	60.7	-92.7	0	0	0	109.4	Y145 N149 S167 I168 V190 L204 I207	Y145-F147 HydrophobicContact CD1-CD1 4.19Å; Y145-F147 HydrophobicContact CE1-CB 4.03Å; Y145-F147 HydrophobicContact CE1-CD1 4.01Å; Y145-F147 HydrophobicContact CE1-CG 4.48Å; F147-N149 HydrophobicContact CD2-CB 4.5Å; F147-N149 HydrophobicContact CE2-CB 4.06Å; F147-N149 PolarHBondContact O-N 3.35Å; F147-N149 VanDerWaalsContact O-N 3.11Å; F147-S167 VanDerWaalsContact O-CA 3.3Å; F147-S167 WeakPolarHBondContact O-CA 3.42Å; F147-I168 PolarHBondContact O-N 3.36Å; F147-V190 HydrophobicContact CD2-CB 3.66Å; F147-V190 HydrophobicContact CD2-CG1 4.31Å; F147-V190 HydrophobicContact CD2-CG2 3.97Å; F147-V190 HydrophobicContact CE2-CB 3.84Å; F147-V190 HydrophobicContact CE2-CG1 4.11Å; F147-L204 HydrophobicContact CE1-CD2 4.02Å; F147-I207 HydrophobicContact CB-CG2 4.39Å; F147-I207 HydrophobicContact CD1-CG2 4.17Å; F147-I207 HydrophobicContact CE1-CD1 4.11Å; F147-I207 HydrophobicContact CG-CG2 4.23Å; F147-I207 HydrophobicContact CZ-CD1 4.23Å
148	V	89.2	Confident	71.4	Confident	6 Å²	6	84.3 Å²	84.3	4%	0.036	41%	0.412	C	S	.	.			trans	-74.1	104.1	174.3	177.8	0	0	0	0	108.1	A150 I168 I170 K187 S188 A189 V190	V148-A150 PolarHBondContact O-N 2.91Å; V148-I168 HydrophobicContact CG2-CB 3.96Å; V148-I168 HydrophobicContact CG2-CG2 4.39Å; V148-I170 HydrophobicContact CG1-CD1 3.52Å; V148-I170 HydrophobicContact CG1-CG1 4.05Å; V148-I170 HydrophobicContact CG2-CD1 4.21Å; V148-I170 HydrophobicContact CG2-CG2 3.89Å; V148-K187 HydrophobicContact CG2-CB 4.3Å; V148-S188 WeakPolarHBondContact CB-O 3.48Å; V148-A189 HydrophobicContact CB-CB 4.46Å; V148-A189 HydrophobicContact CG1-CB 3.89Å; V148-A189 WeakPolarHBondContact O-CA 3.46Å; V148-V190 PolarHBondContact O-N 3.28Å
149	N	88.6	Confident	70.5	Confident	23 Å²	23	86.1 Å²	86.1	12%	0.123	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-77	121.2	174.3	-174.1	-5.4	0	0	0	109.2	F147 K151 S167	F147-N149 HydrophobicContact CD2-CB 4.5Å; F147-N149 HydrophobicContact CE2-CB 4.06Å; F147-N149 PolarHBondContact O-N 3.35Å; F147-N149 VanDerWaalsContact O-N 3.11Å; N149-K151 PolarHBondContact O-N 2.87Å; N149-K151 WeakPolarHBondContact OD1-CB 3.02Å; N149-K151 PolarHBondContact OD1-N 2.89Å; N149-S167 PolarHBondContact N-OG 3.26Å; N149-S167 VanDerWaalsContact N-OG 3.11Å
150	A	87.6	Confident	69.8	Low	0 Å²	0	86 Å²	86	0%	0	42%	0.421	C	S	.	.	S	Bend	trans	-64.7	-27.8	178.8	0	0	0	0	0	112.5	V148 S152 A189 V190 H191 F242 W248	V148-A150 PolarHBondContact O-N 2.91Å; A150-S152 PolarHBondContact O-N 3.33Å; A150-A189 HydrophobicContact CB-CB 4.08Å; A150-V190 WeakPolarHBondContact CB-O 3.43Å; A150-V190 PolarHBondContact N-O 2.86Å; A150-H191 HydrophobicContact CB-CB 4.41Å; A150-F242 HydrophobicContact CB-CE1 3.65Å; A150-F242 HydrophobicContact CB-CZ 3.65Å; A150-W248 HydrophobicContact CB-CB 4.09Å; A150-W248 VanDerWaalsContact O-CB 3.24Å; A150-W248 WeakPolarHBondContact O-CB 3.35Å; A150-W248 PolarHBondContact O-N 2.96Å
151	K	83.1	Confident	68.9	Low	35 Å²	35	83.1 Å²	83.1	15%	0.152	41%	0.41	C	S	.	.			trans	-85.8	101.1	179.5	-65.1	-175.3	-178.4	-170.5	0	110	N149 H191 V192 T194 W248 Y250 D258	N149-K151 PolarHBondContact O-N 2.87Å; N149-K151 WeakPolarHBondContact OD1-CB 3.02Å; N149-K151 PolarHBondContact OD1-N 2.89Å; K151-H191 WeakPolarHBondContact CE-CD2 3.15Å; K151-H191 WeakPolarHBondContact CE-NE2 3.45Å; K151-V192 WeakPolarHBondContact CE-O 3.25Å; K151-V192 PolarHBondContact NZ-O 2.82Å; K151-T194 PolarHBondContact NZ-OG1 2.84Å; K151-W248 HydrophobicContact CG-CB 4.47Å; K151-Y250 VanDerWaalsContact C-OH 3.27Å; K151-Y250 WeakPolarHBondContact CA-OH 3.32Å; K151-Y250 VanDerWaalsContact CB-OH 3.29Å; K151-Y250 WeakPolarHBondContact CB-OH 3.13Å; K151-Y250 HydrophobicContact CG-CE1 4.42Å; K151-D258 VanDerWaalsContact CE-CG 3.41Å; K151-D258 WeakPolarHBondContact CE-OD1 3.24Å; K151-D258 WeakPolarHBondContact CE-OD2 3.03Å; K151-D258 IonicContact NZ-OD1 3.85Å; K151-D258 PolarHBondContact NZ-OD1 3.13Å; K151-D258 IonicContact NZ-OD2 3.82Å; K151-D258 PolarHBondContact NZ-OD2 3.26Å
152	S	68.6	Low	68.2	Low	70 Å²	70	85.1 Å²	85.1	49%	0.49	42%	0.418	S	S	.	.			trans	-113.8	82.9	173	59.7	0	0	0	0	111	A150 L154 Y250	A150-S152 PolarHBondContact O-N 3.33Å; S152-L154 PolarHBondContact O-N 3.48Å; S152-Y250 PolarHBondContact N-OH 2.97Å
153	C	64.7	Low	67.6	Low	39 Å²	39	79.1 Å²	79.1	26%	0.264	40%	0.396	S	S	.	.			trans	-87.3	95.6	173.6	-175.7	0	0	0	0	110.3	N155 Y250 C256	C153-N155 PolarHBondContact O-N 2.83Å; C153-Y250 PolarHBondContact N-OH 3.03Å; C153-C256 HydrophobicContact CB-CB 3.36Å; C153-C256 WeakPolarHBondContact CB-SG 3.45Å; C153-C256 WeakPolarHBondContact SG-CB 3.48Å; C153-C256 CovalentContact SG-SG 2.01Å; C153-C256 PolarHBondContact SG-SG 3.23Å
154	L	55.4	Low	67	Low	148 Å²	148	77.6 Å²	77.6	78%	0.775	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.2	175.8	-72.4	162.4	0	0	0	112.9	S152	S152-L154 PolarHBondContact O-N 3.48Å
155	N	52.2	Low	66.5	Low	118 Å²	118	80.3 Å²	80.3	63%	0.631	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	1.5	-170.3	-78.7	-14.4	0	0	0	115.8	C153 H157	C153-N155 PolarHBondContact O-N 2.83Å; N155-H157 PolarHBondContact O-N 3.27Å
156	R	50.9	Low	66	Low	156 Å²	156	78.8 Å²	78.8	59%	0.589	40%	0.401	S	S	*	.			trans	-75.2	112.1	172.6	-88.1	-173.8	176.7	179.5	0.8	110.1	H158 I159	R156-H158 CarbonylContact O-C 3.54Å; R156-H158 PolarHBondContact O-N 2.89Å; R156-I159 WeakPolarHBondContact O-CG1 3.49Å; R156-I159 PolarHBondContact O-N 3.38Å
157	H	45.8	Very low	65.9	Low	191 Å²	191	74.9 Å²	74.9	88%	0.884	39%	0.39	S	S	*	.	S	Bend	trans	-55.7	-6.2	172.1	-75.8	-68.6	0	0	0	115.1	N155	N155-H157 PolarHBondContact O-N 3.27Å
158	H	50.4	Low	65.8	Low	176 Å²	176	77.3 Å²	77.3	82%	0.815	40%	0.403	S	S	*	.	S	Bend	trans	-122.3	88.4	163.3	-73.4	-63.8	0	0	0	109	R156 D160	R156-H158 CarbonylContact O-C 3.54Å; R156-H158 PolarHBondContact O-N 2.89Å; H158-D160 PolarHBondContact O-N 2.78Å; H158-D160 VanDerWaalsContact O-N 3.08Å
159	I	53.9	Low	65.5	Low	105 Å²	105	84.4 Å²	84.4	54%	0.538	44%	0.441	S	S	.	.			trans	-70.4	99.9	169.8	-59.9	179.7	0	0	0	106.7	R156 P161 V164	R156-I159 WeakPolarHBondContact O-CG1 3.49Å; R156-I159 PolarHBondContact O-N 3.38Å; I159-P161 VanDerWaalsContact O-CD 3.25Å; I159-P161 WeakPolarHBondContact O-CD 3.18Å; I159-V164 HydrophobicContact CG2-CB 4.21Å; I159-V164 HydrophobicContact CG2-CG2 3.09Å
160	D	56.2	Low	65.4	Low	71 Å²	71	85.2 Å²	85.2	38%	0.38	44%	0.444	S	S	.	.			trans	-60.6	117.1	169.9	-175.6	-8.6	0	0	0	108.2	H158 L162 L163 V164	H158-D160 PolarHBondContact O-N 2.78Å; H158-D160 VanDerWaalsContact O-N 3.08Å; D160-L162 PolarHBondContact O-N 2.82Å; D160-L162 VanDerWaalsContact O-N 3.13Å; D160-L162 WeakPolarHBondContact OD1-CB 3.49Å; D160-L162 PolarHBondContact OD1-N 3.04Å; D160-L162 VanDerWaalsContact OD1-N 3.09Å; D160-L163 HydrophobicContact CB-CB 4.21Å; D160-L163 HydrophobicContact CB-CD1 3.79Å; D160-L163 HydrophobicContact CB-CG 4.33Å; D160-L163 PolarHBondContact O-N 2.87Å; D160-V164 PolarHBondContact O-N 3.48Å
161	P	54.6	Low	65.4	Low	90 Å²	90	92.6 Å²	92.6	58%	0.584	48%	0.479	S	S	*	.	H	α-helix	trans	-56.5	-29.8	-179.2	-23.3	33.1	0	0	0	112.8	I159 L163 N165	I159-P161 VanDerWaalsContact O-CD 3.25Å; I159-P161 WeakPolarHBondContact O-CD 3.18Å; P161-L163 VanDerWaalsContact C-N 3.32Å; P161-N165 WeakPolarHBondContact O-CB 3.33Å; P161-N165 PolarHBondContact O-N 3.45Å; P161-N165 VanDerWaalsContact O-N 3.13Å
162	L	58.4	Low	65.7	Low	65 Å²	65	93.9 Å²	93.9	34%	0.34	48%	0.483	S	S	.	.	H	α-helix	trans	-61	-41.2	174.4	-81.9	146.3	0	0	0	111.6	L139 D160 S166	L139-L162 HydrophobicContact CD1-CD2 3.2Å; L139-L162 HydrophobicContact CD1-CG 3.55Å; L139-L162 HydrophobicContact CD2-CD2 4.21Å; L139-L162 HydrophobicContact CG-CD2 3.55Å; L139-L162 HydrophobicContact CG-CG 4.37Å; D160-L162 PolarHBondContact O-N 2.82Å; D160-L162 VanDerWaalsContact O-N 3.13Å; D160-L162 WeakPolarHBondContact OD1-CB 3.49Å; D160-L162 PolarHBondContact OD1-N 3.04Å; D160-L162 VanDerWaalsContact OD1-N 3.09Å; L162-S166 WeakPolarHBondContact O-CB 3.45Å; L162-S166 PolarHBondContact O-N 3.5Å; L162-S166 PolarHBondContact O-OG 3.24Å
163	L	60.6	Low	66.7	Low	83 Å²	83	93.7 Å²	93.7	44%	0.435	48%	0.479	S	S	.	.	H	α-helix	trans	-73	-42.8	-176.4	-84.8	156.7	0	0	0	111.7	D160 P161 S166	D160-L163 HydrophobicContact CB-CB 4.21Å; D160-L163 HydrophobicContact CB-CD1 3.79Å; D160-L163 HydrophobicContact CB-CG 4.33Å; D160-L163 PolarHBondContact O-N 2.87Å; P161-L163 VanDerWaalsContact C-N 3.32Å; L163-S166 PolarHBondContact O-N 2.98Å; L163-S166 PolarHBondContact O-OG 3.49Å
164	V	57.9	Low	67.8	Low	84 Å²	84	95.1 Å²	95.1	51%	0.509	49%	0.488	S	S	.	.	H	α-helix	trans	-67.2	-42.5	178.1	173.1	0	0	0	0	112	I159 D160 S166	I159-V164 HydrophobicContact CG2-CB 4.21Å; I159-V164 HydrophobicContact CG2-CG2 3.09Å; D160-V164 PolarHBondContact O-N 3.48Å; V164-S166 PolarHBondContact O-N 2.91Å
165	N	65.9	Low	69	Low	77 Å²	77	88.2 Å²	88.2	41%	0.412	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.7	178.2	-74.6	-19.6	0	0	0	113.3	L139 F144 R146 P161	L139-N165 HydrophobicContact CD2-CB 4.25Å; F144-N165 WeakPolarHBondContact CE1-O 3.47Å; R146-N165 PolarHBondContact NH1-O 2.89Å; R146-N165 PolarHBondContact NH2-O 2.92Å; P161-N165 WeakPolarHBondContact O-CB 3.33Å; P161-N165 PolarHBondContact O-N 3.45Å; P161-N165 VanDerWaalsContact O-N 3.13Å
166	S	70.5	Confident	70.2	Confident	2 Å²	2	83.7 Å²	83.7	1%	0.014	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-21	-179.9	69.4	0	0	0	0	114.7	R146 L162 L163 V164	R146-S166 WeakPolarHBondContact CA-O 3.34Å; L162-S166 WeakPolarHBondContact O-CB 3.45Å; L162-S166 PolarHBondContact O-N 3.5Å; L162-S166 PolarHBondContact O-OG 3.24Å; L163-S166 PolarHBondContact O-N 2.98Å; L163-S166 PolarHBondContact O-OG 3.49Å; V164-S166 PolarHBondContact O-N 2.91Å
167	S	82.3	Confident	71.5	Confident	28 Å²	28	77.1 Å²	77.1	20%	0.196	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-93.6	151.8	-177.2	-164.4	0	0	0	0	112.5	F147 N149	F147-S167 VanDerWaalsContact O-CA 3.3Å; F147-S167 WeakPolarHBondContact O-CA 3.42Å; N149-S167 PolarHBondContact N-OG 3.26Å; N149-S167 VanDerWaalsContact N-OG 3.11Å
168	I	84.7	Confident	73	Confident	56 Å²	56	68.2 Å²	68.2	29%	0.287	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-86.5	122.9	166.9	-59.6	174.4	0	0	0	108.3	R146 F147 V148 I170	R146-I168 HydrophobicContact CB-CD1 4.36Å; R146-I168 HydrophobicContact CB-CG1 3.74Å; F147-I168 PolarHBondContact O-N 3.36Å; V148-I168 HydrophobicContact CG2-CB 3.96Å; V148-I168 HydrophobicContact CG2-CG2 4.39Å; I168-I170 HydrophobicContact CG2-CG2 4.1Å; I168-I170 PolarHBondContact O-N 3.29Å
169	D	82.5	Confident	74.3	Confident	156 Å²	156	64.8 Å²	64.8	83%	0.834	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-71.1	124.8	173.4	-72	-27.5	0	0	0	110.6
170	I	86.8	Confident	75.5	Confident	39 Å²	39	64.2 Å²	64.2	20%	0.2	35%	0.349	C	S	.	.			trans	-130.9	149.9	178.3	58.8	164.5	0	0	0	110.8	V148 I168 Y172 N184 A245	V148-I170 HydrophobicContact CG1-CD1 3.52Å; V148-I170 HydrophobicContact CG1-CG1 4.05Å; V148-I170 HydrophobicContact CG2-CD1 4.21Å; V148-I170 HydrophobicContact CG2-CG2 3.89Å; I168-I170 HydrophobicContact CG2-CG2 4.1Å; I168-I170 PolarHBondContact O-N 3.29Å; I170-Y172 HydrophobicContact CD1-CD1 4.29Å; I170-Y172 HydrophobicContact CD1-CE1 3.52Å; I170-Y172 HydrophobicContact CD1-CE2 4.26Å; I170-Y172 HydrophobicContact CG1-CE1 4.15Å; I170-Y172 HydrophobicContact CG1-CE2 3.98Å; I170-N184 HydrophobicContact CD1-CB 3.87Å; I170-A245 HydrophobicContact CD1-CB 3.74Å
171	Q	88.8	Confident	76.8	Confident	156 Å²	156	62.5 Å²	62.5	73%	0.729	34%	0.34	S	S	*	.			trans	-89.4	127.5	173.1	-171.2	177	0.2	0	0	109.7	N184	Q171-N184 PolarHBondContact O-ND2 2.86Å
172	Y	88.6	Confident	78.4	Confident	61 Å²	61	60.3 Å²	60.3	24%	0.239	33%	0.326	C	S	.	.			trans	-96.7	134.7	172.3	-59.1	-82.2	0	0	0	110.3	I170 N184 A245	I170-Y172 HydrophobicContact CD1-CD1 4.29Å; I170-Y172 HydrophobicContact CD1-CE1 3.52Å; I170-Y172 HydrophobicContact CD1-CE2 4.26Å; I170-Y172 HydrophobicContact CG1-CE1 4.15Å; I170-Y172 HydrophobicContact CG1-CE2 3.98Å; Y172-N184 HydrophobicContact CD1-CB 4.16Å; Y172-N184 HydrophobicContact CE1-CB 4.46Å; Y172-A245 HydrophobicContact CE1-CB 4.32Å
173	T	89.2	Confident	79.8	Confident	66 Å²	66	57.2 Å²	57.2	41%	0.405	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.9	177.7	52.8	0	0	0	0	109.8	N175 V183	T173-N175 PolarHBondContact O-N 3.28Å; T173-V183 PolarHBondContact N-O 2.88Å; T173-V183 PolarHBondContact O-N 2.89Å; T173-V183 VanDerWaalsContact O-O 3.11Å; T173-V183 PolarHBondContact OG1-O 3.02Å
174	P	87.5	Confident	81.2	Confident	69 Å²	69	54.1 Å²	54.1	45%	0.448	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	130.8	172.4	-26.4	35.5	0	0	0	110.8	L181 T706	P174-L181 WeakPolarHBondContact CA-O 3.4Å; P174-T706 WeakPolarHBondContact O-CG2 3.06Å
175	N	82.2	Confident	82.6	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.3	-179.5	-176.6	-46.1	0	0	0	111.5	T173 N177 F178 N180 L181 V183 R221 D703	T173-N175 PolarHBondContact O-N 3.28Å; N175-N177 VanDerWaalsContact C-N 3.3Å; N175-N177 PolarHBondContact O-N 3.4Å; N175-N177 WeakPolarHBondContact OD1-CB 3.36Å; N175-N177 PolarHBondContact OD1-N 3.23Å; N175-F178 HydrophobicContact CB-CB 4.38Å; N175-F178 HydrophobicContact CB-CD2 4.37Å; N175-F178 CarbonylContact O-C 3.55Å; N175-F178 PolarHBondContact O-N 3.23Å; N175-N180 WeakPolarHBondContact O-CA 3.23Å; N175-N180 PolarHBondContact O-N 2.6Å; N175-L181 PolarHBondContact N-O 3.39Å; N175-L181 VanDerWaalsContact N-O 3.07Å; N175-V183 HydrophobicContact CB-CG2 3.44Å; N175-V183 VanDerWaalsContact CB-CG2 3.44Å; N175-R221 PolarHBondContact ND2-NH2 3.07Å; N175-D703 VanDerWaalsContact ND2-CG 3.28Å; N175-D703 PolarHBondContact ND2-OD1 3.2Å; N175-D703 PolarHBondContact OD1-OD1 3.4Å
176	P	77.7	Confident	83.6	Confident	23 Å²	23	56.2 Å²	56.2	15%	0.149	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-64	-30.5	-176.1	25.6	-34.7	0	0	0	113.9	F178 L179 N180 L701	P176-F178 PolarHBondContact O-N 3.29Å; P176-L179 PolarHBondContact O-N 3.2Å; P176-N180 WeakPolarHBondContact CA-OD1 3.37Å; P176-L701 HydrophobicContact CB-CD1 4.16Å
177	N	77	Confident	84.6	Confident	18 Å²	18	59.2 Å²	59.2	10%	0.096	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-69.7	-21.8	176	-65.1	-44.1	0	0	0	112	N175 F225 A228 D703	N175-N177 VanDerWaalsContact C-N 3.3Å; N175-N177 PolarHBondContact O-N 3.4Å; N175-N177 WeakPolarHBondContact OD1-CB 3.36Å; N175-N177 PolarHBondContact OD1-N 3.23Å; N177-F225 PolarHBondContact ND2-O 3.49Å; N177-A228 VanDerWaalsContact O-CB 3.23Å; N177-A228 WeakPolarHBondContact O-CB 3.48Å; N177-D703 PolarHBondContact ND2-OD1 3.04Å
178	F	77.4	Confident	85	Confident	5 Å²	5	58 Å²	58	2%	0.022	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-105.3	35.1	176.9	-71.1	-101.3	0	0	0	110.8	N175 P176 N180 L181 V183 A228 W230 P244	N175-F178 HydrophobicContact CB-CB 4.38Å; N175-F178 HydrophobicContact CB-CD2 4.37Å; N175-F178 CarbonylContact O-C 3.55Å; N175-F178 PolarHBondContact O-N 3.23Å; P176-F178 PolarHBondContact O-N 3.29Å; F178-N180 PolarHBondContact O-N 3.4Å; F178-N180 VanDerWaalsContact O-N 3.16Å; F178-L181 HydrophobicContact CB-CB 4.34Å; F178-L181 WeakPolarHBondContact O-CB 3.25Å; F178-L181 WeakPolarHBondContact O-CD1 3.48Å; F178-L181 WeakPolarHBondContact O-CG 3.06Å; F178-L181 PolarHBondContact O-N 2.96Å; F178-V183 HydrophobicContact CB-CG1 4.31Å; F178-V183 HydrophobicContact CD1-CG1 4.4Å; F178-V183 HydrophobicContact CG-CG1 4.32Å; F178-A228 HydrophobicContact CD1-CB 4.01Å; F178-A228 HydrophobicContact CD2-CB 4.32Å; F178-A228 HydrophobicContact CE1-CB 3.8Å; F178-A228 HydrophobicContact CE2-CB 4.02Å; F178-A228 HydrophobicContact CG-CB 4.25Å; F178-A228 HydrophobicContact CZ-CB 3.78Å; F178-W230 AromaticContact CD1-CE2 3.99Å; F178-W230 HydrophobicContact CD1-CH2 4.13Å; F178-W230 AromaticContact CD1-CZ2 3.77Å; F178-W230 HydrophobicContact CD1-CZ2 3.77Å; F178-W230 HydrophobicContact CE1-CD2 4.22Å; F178-W230 HydrophobicContact CE1-CE3 4.46Å; F178-W230 HydrophobicContact CE1-CH2 4.5Å; F178-W230 HydrophobicContact CE1-CZ2 4.26Å; F178-P244 HydrophobicContact CD1-CG 4.2Å; F178-P244 HydrophobicContact CE1-CG 3.73Å; F178-P244 HydrophobicContact CE2-CG 4.49Å; F178-P244 HydrophobicContact CZ-CG 3.92Å
179	L	77	Confident	85.4	Confident	104 Å²	104	55.3 Å²	55.3	55%	0.545	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	33.2	179.9	-56.6	173	0	0	0	113.5	P176 L181 I483	P176-L179 PolarHBondContact O-N 3.2Å; L179-L181 PolarHBondContact O-N 3.29Å; L179-I483 HydrophobicContact CD1-CD1 3.34Å
180	N	79.3	Confident	85.9	Confident	93 Å²	93	47.9 Å²	47.9	50%	0.497	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	18.7	-173.9	-61.2	-49.8	0	0	0	115.1	N175 P176 F178	N175-N180 WeakPolarHBondContact O-CA 3.23Å; N175-N180 PolarHBondContact O-N 2.6Å; P176-N180 WeakPolarHBondContact CA-OD1 3.37Å; F178-N180 PolarHBondContact O-N 3.4Å; F178-N180 VanDerWaalsContact O-N 3.16Å
181	L	83.3	Confident	86.2	Confident	34 Å²	34	46 Å²	46	18%	0.178	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	142	170.3	-67.1	172.5	0	0	0	110.6	P174 N175 F178 L179 V183 W230 F249	P174-L181 WeakPolarHBondContact CA-O 3.4Å; N175-L181 PolarHBondContact N-O 3.39Å; N175-L181 VanDerWaalsContact N-O 3.07Å; F178-L181 HydrophobicContact CB-CB 4.34Å; F178-L181 WeakPolarHBondContact O-CB 3.25Å; F178-L181 WeakPolarHBondContact O-CD1 3.48Å; F178-L181 WeakPolarHBondContact O-CG 3.06Å; F178-L181 PolarHBondContact O-N 2.96Å; L179-L181 PolarHBondContact O-N 3.29Å; L181-V183 HydrophobicContact CB-CG1 4.45Å; L181-V183 PolarHBondContact O-N 3.24Å; L181-W230 HydrophobicContact CD1-CZ2 4.29Å; L181-F249 HydrophobicContact CD2-CZ 3.96Å
182	P	88	Confident	86.4	Confident	45 Å²	45	39 Å²	39	29%	0.292	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	110.6	178.1	29.7	-33.6	0	0	0	109.9	P247	P182-P247 HydrophobicContact CG-CG 3.94Å; P182-P247 VanDerWaalsContact O-CD 3.25Å; P182-P247 WeakPolarHBondContact O-CD 3.31Å
183	V	88.9	Confident	86.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	159.8	-178	-59.8	0	0	0	0	111.6	T173 N175 F178 L181 W230 P244 A245	T173-V183 PolarHBondContact N-O 2.88Å; T173-V183 PolarHBondContact O-N 2.89Å; T173-V183 VanDerWaalsContact O-O 3.11Å; T173-V183 PolarHBondContact OG1-O 3.02Å; N175-V183 HydrophobicContact CB-CG2 3.44Å; N175-V183 VanDerWaalsContact CB-CG2 3.44Å; F178-V183 HydrophobicContact CB-CG1 4.31Å; F178-V183 HydrophobicContact CD1-CG1 4.4Å; F178-V183 HydrophobicContact CG-CG1 4.32Å; L181-V183 HydrophobicContact CB-CG1 4.45Å; L181-V183 PolarHBondContact O-N 3.24Å; V183-W230 HydrophobicContact CG1-CH2 4.16Å; V183-P244 HydrophobicContact CB-CB 4.19Å; V183-P244 HydrophobicContact CB-CG 4.01Å; V183-P244 HydrophobicContact CG1-CG 4.11Å; V183-P244 HydrophobicContact CG2-CG 4.4Å; V183-A245 CarbonylContact C-O 3.59Å; V183-A245 VanDerWaalsContact CA-O 3.27Å; V183-A245 WeakPolarHBondContact CA-O 3.39Å
184	N	90.2	Very high	86.2	Confident	17 Å²	17	36.4 Å²	36.4	9%	0.091	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-119.7	116.4	170	-178	-62.7	0	0	0	109.2	I170 Q171 Y172 E186 K187 P244 A245	I170-N184 HydrophobicContact CD1-CB 3.87Å; Q171-N184 PolarHBondContact O-ND2 2.86Å; Y172-N184 HydrophobicContact CD1-CB 4.16Å; Y172-N184 HydrophobicContact CE1-CB 4.46Å; N184-E186 VanDerWaalsContact C-N 3.29Å; N184-E186 PolarHBondContact O-N 3.02Å; N184-E186 WeakPolarHBondContact OD1-CA 3.31Å; N184-E186 WeakPolarHBondContact OD1-CB 3.29Å; N184-E186 PolarHBondContact OD1-N 2.95Å; N184-K187 PolarHBondContact OD1-N 2.92Å; N184-K187 VanDerWaalsContact OD1-N 3.1Å; N184-P244 VanDerWaalsContact O-CB 3.28Å; N184-P244 WeakPolarHBondContact O-CB 3.06Å; N184-A245 HydrophobicContact CB-CB 4.17Å; N184-A245 PolarHBondContact N-O 2.93Å; N184-A245 PolarHBondContact O-N 3.01Å; N184-A245 VanDerWaalsContact O-N 3.08Å
185	I	86.5	Confident	86	Confident	69 Å²	69	37.8 Å²	37.8	35%	0.354	21%	0.205	S	C	.	.	S	Bend	trans	-82.6	-4.4	-177.8	60	170.3	0	0	0	113.1	Y243	I185-Y243 WeakPolarHBondContact O-CE2 3.47Å; I185-Y243 PolarHBondContact O-OH 3.46Å
186	E	87.7	Confident	86.1	Confident	136 Å²	136	39.2 Å²	39.2	64%	0.636	21%	0.214	S	C	*	.	S	Bend	trans	-96	-18.6	-177.2	-61.6	-168.5	160.3	0	0	113.5	N184 K218	N184-E186 VanDerWaalsContact C-N 3.29Å; N184-E186 PolarHBondContact O-N 3.02Å; N184-E186 WeakPolarHBondContact OD1-CA 3.31Å; N184-E186 WeakPolarHBondContact OD1-CB 3.29Å; N184-E186 PolarHBondContact OD1-N 2.95Å; E186-K218 WeakPolarHBondContact O-CE 3.47Å; E186-K218 PolarHBondContact O-NZ 2.8Å
187	K	90.2	Very high	86.4	Confident	65 Å²	65	44.9 Å²	44.9	28%	0.283	23%	0.233	S	C	.	.			trans	-139.3	157	-176.9	-75.6	-70.8	-171.6	168.2	0	111.3	V148 N184 E211 A245	V148-K187 HydrophobicContact CG2-CB 4.3Å; N184-K187 PolarHBondContact OD1-N 2.92Å; N184-K187 VanDerWaalsContact OD1-N 3.1Å; K187-E211 IonicContact NZ-OE1 3.29Å; K187-A245 WeakPolarHBondContact O-CB 3.4Å; K187-A245 PolarHBondContact O-N 2.98Å
188	S	92.2	Very high	86.7	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	24%	0.235	C	C	.	.			trans	-89.3	161	163.2	64	0	0	0	0	110.9	V148 D214 R241 F242	V148-S188 WeakPolarHBondContact CB-O 3.48Å; S188-D214 WeakPolarHBondContact CB-OD1 3.17Å; S188-D214 PolarHBondContact N-OD2 3.46Å; S188-D214 VanDerWaalsContact OG-CG 3.32Å; S188-D214 PolarHBondContact OG-OD1 3.08Å; S188-D214 PolarHBondContact OG-OD2 3.37Å; S188-R241 WeakPolarHBondContact OG-CD 3.5Å; S188-R241 WeakPolarHBondContact OG-CG 3.09Å; S188-R241 PolarHBondContact OG-NH1 3.41Å; S188-F242 VanDerWaalsContact CA-O 3.29Å; S188-F242 WeakPolarHBondContact CA-O 3.16Å; S188-F242 WeakPolarHBondContact CB-O 3.46Å
189	A	93.1	Very high	87	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154.6	171.9	0	0	0	0	0	110.4	V148 A150 R241 F242 A245	V148-A189 HydrophobicContact CB-CB 4.46Å; V148-A189 HydrophobicContact CG1-CB 3.89Å; V148-A189 WeakPolarHBondContact O-CA 3.46Å; A150-A189 HydrophobicContact CB-CB 4.08Å; A189-R241 CarbonylContact O-C 3.53Å; A189-R241 WeakPolarHBondContact O-CA 3.48Å; A189-F242 HydrophobicContact CB-CE1 3.97Å; A189-F242 HydrophobicContact CB-CE2 3.92Å; A189-F242 HydrophobicContact CB-CZ 3.58Å; A189-F242 PolarHBondContact N-O 2.87Å; A189-F242 PolarHBondContact O-N 2.95Å; A189-A245 HydrophobicContact CB-CB 3.79Å
190	V	93.2	Very high	87.4	Confident	1 Å²	1	44 Å²	44	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.3	179	-179.1	0	0	0	0	109.3	F147 V148 A150 V192 I207 F239 M240 R241	F147-V190 HydrophobicContact CD2-CB 3.66Å; F147-V190 HydrophobicContact CD2-CG1 4.31Å; F147-V190 HydrophobicContact CD2-CG2 3.97Å; F147-V190 HydrophobicContact CE2-CB 3.84Å; F147-V190 HydrophobicContact CE2-CG1 4.11Å; V148-V190 PolarHBondContact O-N 3.28Å; A150-V190 WeakPolarHBondContact CB-O 3.43Å; A150-V190 PolarHBondContact N-O 2.86Å; V190-V192 HydrophobicContact CG1-CG2 4.13Å; V190-I207 HydrophobicContact CG1-CD1 4.32Å; V190-I207 HydrophobicContact CG2-CG2 4.25Å; V190-F239 HydrophobicContact CG1-CB 4.21Å; V190-F239 HydrophobicContact CG1-CD2 3.9Å; V190-F239 HydrophobicContact CG1-CG 4.43Å; V190-M240 CarbonylContact C-O 3.59Å; V190-M240 WeakPolarHBondContact CA-O 2.93Å; V190-R241 HydrophobicContact CG2-CB 4.29Å; V190-R241 HydrophobicContact CG2-CG 4.22Å
191	H	93.1	Very high	87.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132.3	167.6	171.5	-80.3	0	0	0	109.2	A150 K151 F239 M240 F242 W248 D258 Y260	A150-H191 HydrophobicContact CB-CB 4.41Å; K151-H191 WeakPolarHBondContact CE-CD2 3.15Å; K151-H191 WeakPolarHBondContact CE-NE2 3.45Å; H191-F239 CarbonylContact O-C 3.59Å; H191-F239 VanDerWaalsContact O-CA 3.3Å; H191-F239 WeakPolarHBondContact O-CA 3.49Å; H191-M240 HydrophobicContact CB-CB 4.39Å; H191-M240 PolarHBondContact N-O 2.68Å; H191-M240 PolarHBondContact O-N 2.95Å; H191-F242 HydrophobicContact CB-CE1 4.25Å; H191-W248 HydrophobicContact CB-CE3 4.11Å; H191-W248 HydrophobicContact CB-CZ3 4.04Å; H191-W248 AromaticContact CD2-CD2 3.42Å; H191-W248 VanDerWaalsContact CD2-CD2 3.42Å; H191-W248 AromaticContact CD2-CE2 3.4Å; H191-W248 AromaticContact CD2-CE3 3.57Å; H191-W248 AromaticContact CD2-CH2 3.75Å; H191-W248 AromaticContact CD2-CZ2 3.6Å; H191-W248 AromaticContact CD2-CZ3 3.71Å; H191-W248 AromaticContact CD2-NE1 3.98Å; H191-W248 AromaticContact CG-CZ3 3.94Å; H191-W248 AromaticContact NE2-CE2 3.63Å; H191-W248 AromaticContact NE2-CZ2 3.62Å; H191-D258 IonicContact CD2-OD2 2.8Å; H191-D258 IonicContact CE1-OD2 3.94Å; H191-D258 IonicContact NE2-OD2 3.22Å; H191-D258 PolarHBondContact NE2-OD2 3.46Å; H191-Y260 AromaticContact CE1-CD1 3.71Å; H191-Y260 PolarHBondContact CE1-O 3.49Å; H191-Y260 VanDerWaalsContact CE1-O 3.28Å
192	V	91.4	Very high	87.3	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.055	23%	0.229	C	C	.	.			trans	-119.9	124.4	173.6	-177.1	0	0	0	0	107.9	K151 V190 V196 L203 F239	K151-V192 WeakPolarHBondContact CE-O 3.25Å; K151-V192 PolarHBondContact NZ-O 2.82Å; V190-V192 HydrophobicContact CG1-CG2 4.13Å; V192-V196 HydrophobicContact CG1-CB 3.95Å; V192-V196 HydrophobicContact CG1-CG1 3.91Å; V192-L203 HydrophobicContact CG1-CD2 4.08Å; V192-F239 HydrophobicContact CG2-CB 4.17Å
193	P	89.3	Confident	87.2	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.215	C	C	.	.			trans	-55.8	145.5	178.4	-25.1	33.7	0	0	0	112.1	P195 V196 G238 D261	P193-P195 VanDerWaalsContact C-CD 3.43Å; P193-V196 HydrophobicContact CB-CG2 4.33Å; P193-V196 PolarHBondContact O-N 2.89Å; P193-G238 WeakPolarHBondContact CD-O 3.36Å; P193-G238 WeakPolarHBondContact CG-O 3.19Å; P193-D261 HydrophobicContact CB-CB 4.36Å; P193-D261 HydrophobicContact CG-CB 4.28Å
194	T	85	Confident	87.1	Confident	70 Å²	70	42.2 Å²	42.2	43%	0.429	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.6	-175.7	-56.3	0	0	0	0	115	K151 V196 L257 D258	K151-T194 PolarHBondContact NZ-OG1 2.84Å; T194-V196 PolarHBondContact O-N 2.86Å; T194-L257 HydrophobicContact CG2-CD1 4.09Å; T194-D258 PolarHBondContact OG1-O 2.98Å; T194-D258 PolarHBondContact OG1-OD1 3.22Å
195	P	82.6	Confident	86.6	Confident	98 Å²	98	44 Å²	44	64%	0.636	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.1	176.4	-19.1	32.7	0	0	0	114.6	P193	P193-P195 VanDerWaalsContact C-CD 3.43Å
196	V	84.9	Confident	86.5	Confident	33 Å²	33	41.8 Å²	41.8	20%	0.2	22%	0.217	C	C	.	.	S	Bend	trans	-97.2	125.7	-173.8	177.9	0	0	0	0	110.2	V192 P193 T194 S198 L203	V192-V196 HydrophobicContact CG1-CB 3.95Å; V192-V196 HydrophobicContact CG1-CG1 3.91Å; P193-V196 HydrophobicContact CB-CG2 4.33Å; P193-V196 PolarHBondContact O-N 2.89Å; T194-V196 PolarHBondContact O-N 2.86Å; V196-S198 PolarHBondContact O-N 3.19Å; V196-S198 VanDerWaalsContact O-N 3.17Å; V196-L203 HydrophobicContact CG1-CD1 4.4Å; V196-L203 HydrophobicContact CG1-CD2 3.84Å
197	Y	84.3	Confident	86.5	Confident	142 Å²	142	35.3 Å²	35.3	56%	0.557	19%	0.187	S	C	*	.			trans	-73.2	109.4	178.1	-176.2	-122.9	0	0	0	111.1	R199 E200 L203	Y197-R199 HydrophobicContact CD1-CB 4.28Å; Y197-R199 HydrophobicContact CE1-CB 3.63Å; Y197-R199 HydrophobicContact CE2-CB 4.25Å; Y197-R199 PolarHBondContact O-N 3.43Å; Y197-E200 HydrophobicContact CD1-CB 4.24Å; Y197-E200 WeakPolarHBondContact O-CB 3.28Å; Y197-E200 PolarHBondContact O-N 2.86Å; Y197-E200 VanDerWaalsContact O-N 3.14Å; Y197-L203 WeakPolarHBondContact O-CD2 3.47Å
198	S	84	Confident	86.3	Confident	18 Å²	18	35.1 Å²	35.1	13%	0.126	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-16	-173.7	63.1	0	0	0	0	115.4	V196	V196-S198 PolarHBondContact O-N 3.19Å; V196-S198 VanDerWaalsContact O-N 3.17Å
199	R	83.7	Confident	85.8	Confident	9 Å²	9	36.1 Å²	36.1	3%	0.034	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	10.5	-176	-59.5	-57.8	-59.7	-179.6	3	113.3	I136 N137 Y145 Y197	I136-R199 PolarHBondContact O-NH2 3.16Å; N137-R199 PolarHBondContact ND2-O 3.21Å; N137-R199 WeakPolarHBondContact OD1-CB 3.42Å; N137-R199 PolarHBondContact OD1-NE 3.25Å; N137-R199 PolarHBondContact OD1-NH2 2.9Å; Y145-R199 PolarHBondContact O-NH1 2.8Å; Y197-R199 HydrophobicContact CD1-CB 4.28Å; Y197-R199 HydrophobicContact CE1-CB 3.63Å; Y197-R199 HydrophobicContact CE2-CB 4.25Å; Y197-R199 PolarHBondContact O-N 3.43Å
200	E	84.2	Confident	85.4	Confident	81 Å²	81	36.1 Å²	36.1	38%	0.379	19%	0.192	S	C	.	.			trans	-60.1	130	171	-175.6	178.7	-150.3	0	0	110.3	Y197 E202 L203 L204	Y197-E200 HydrophobicContact CD1-CB 4.24Å; Y197-E200 WeakPolarHBondContact O-CB 3.28Å; Y197-E200 PolarHBondContact O-N 2.86Å; Y197-E200 VanDerWaalsContact O-N 3.14Å; E200-E202 VanDerWaalsContact C-N 3.26Å; E200-E202 HydrophobicContact CG-CB 4.45Å; E200-E202 PolarHBondContact O-N 3.41Å; E200-L203 HydrophobicContact CB-CB 4.1Å; E200-L203 WeakPolarHBondContact O-CB 3.46Å; E200-L203 PolarHBondContact O-N 3.33Å; E200-L203 VanDerWaalsContact O-N 3.09Å; E200-L204 WeakPolarHBondContact O-CG 3.31Å; E200-L204 PolarHBondContact O-N 3.31Å
201	P	81.1	Confident	85.1	Confident	44 Å²	44	39.3 Å²	39.3	29%	0.286	21%	0.206	S	C	.	.	H	α-helix	trans	-57	-36	-176.3	-29.3	36.2	0	0	0	114.7	R133 S205	R133-P201 HydrophobicContact CB-CB 4.02Å; R133-P201 WeakPolarHBondContact O-CB 3.32Å; P201-S205 PolarHBondContact O-N 2.82Å
202	E	80.1	Confident	84.6	Confident	90 Å²	90	40.4 Å²	40.4	42%	0.421	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-46	176.1	-64.8	-166	176.2	0	0	111.7	E200 S205 E206 K237	E200-E202 VanDerWaalsContact C-N 3.26Å; E200-E202 HydrophobicContact CG-CB 4.45Å; E200-E202 PolarHBondContact O-N 3.41Å; E202-S205 PolarHBondContact O-N 2.98Å; E202-S205 PolarHBondContact O-OG 3.37Å; E202-E206 PolarHBondContact O-N 2.97Å; E202-K237 IonicContact OE2-NZ 3.34Å; E202-K237 PolarHBondContact OE2-NZ 2.89Å
203	L	86.5	Confident	84.3	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-44.9	177.5	-174.5	73.5	0	0	0	111.1	V192 V196 Y197 E200 S205 E206 I207 K237 F239	V192-L203 HydrophobicContact CG1-CD2 4.08Å; V196-L203 HydrophobicContact CG1-CD1 4.4Å; V196-L203 HydrophobicContact CG1-CD2 3.84Å; Y197-L203 WeakPolarHBondContact O-CD2 3.47Å; E200-L203 HydrophobicContact CB-CB 4.1Å; E200-L203 WeakPolarHBondContact O-CB 3.46Å; E200-L203 PolarHBondContact O-N 3.33Å; E200-L203 VanDerWaalsContact O-N 3.09Å; L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 3.3Å; L203-E206 PolarHBondContact O-N 3.18Å; L203-E206 VanDerWaalsContact O-N 3.09Å; L203-I207 HydrophobicContact CD2-CD1 4.37Å; L203-I207 HydrophobicContact CG-CD1 4.04Å; L203-I207 WeakPolarHBondContact O-CG1 3.26Å; L203-I207 PolarHBondContact O-N 2.86Å; L203-K237 HydrophobicContact CD1-CB 3.88Å; L203-F239 HydrophobicContact CD1-CB 4.33Å; L203-F239 HydrophobicContact CD1-CD1 3.62Å; L203-F239 HydrophobicContact CD1-CE1 4.4Å; L203-F239 HydrophobicContact CD1-CG 4.39Å
204	L	85.5	Confident	84.2	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-41.1	177.5	-70.6	173.9	0	0	0	111.4	I136 N137 Y145 F147 E200 E206 I207 I208	I136-L204 HydrophobicContact CG2-CB 4.24Å; I136-L204 HydrophobicContact CG2-CD1 4.11Å; N137-L204 HydrophobicContact CB-CD1 4.06Å; Y145-L204 HydrophobicContact CD1-CD2 4.44Å; F147-L204 HydrophobicContact CE1-CD2 4.02Å; E200-L204 WeakPolarHBondContact O-CG 3.31Å; E200-L204 PolarHBondContact O-N 3.31Å; L204-E206 VanDerWaalsContact C-N 3.25Å; L204-E206 PolarHBondContact O-N 3.02Å; L204-I207 PolarHBondContact O-N 3.01Å; L204-I207 VanDerWaalsContact O-N 3.13Å; L204-I208 WeakPolarHBondContact O-CD1 3.4Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.87Å
205	S	81	Confident	84.1	Confident	54 Å²	54	42.9 Å²	42.9	38%	0.378	22%	0.22	S	C	.	.	H	α-helix	trans	-60.2	-36.6	176.2	77.7	0	0	0	0	112.6	P201 E202 L203	P201-S205 PolarHBondContact O-N 2.82Å; E202-S205 PolarHBondContact O-N 2.98Å; E202-S205 PolarHBondContact O-OG 3.37Å; L203-S205 VanDerWaalsContact C-N 3.29Å; L203-S205 PolarHBondContact O-N 3.3Å
206	E	83.2	Confident	84.2	Confident	23 Å²	23	39.6 Å²	39.6	11%	0.107	20%	0.197	C	C	.	.	H	α-helix	trans	-73.6	-35.1	175.5	-69.5	-78.6	167.4	0	0	111.9	E202 L203 L204 W209 T210 K237 F239 R499	E202-E206 PolarHBondContact O-N 2.97Å; L203-E206 PolarHBondContact O-N 3.18Å; L203-E206 VanDerWaalsContact O-N 3.09Å; L204-E206 VanDerWaalsContact C-N 3.25Å; L204-E206 PolarHBondContact O-N 3.02Å; E206-W209 VanDerWaalsContact CA-CD1 3.47Å; E206-W209 PolarHBondContact O-NE1 3.28Å; E206-W209 PolarHBondContact OE2-NE1 3.38Å; E206-T210 WeakPolarHBondContact O-CG2 3.3Å; E206-K237 HydrophobicContact CG-CG 4.4Å; E206-F239 HydrophobicContact CB-CE1 3.69Å; E206-F239 HydrophobicContact CB-CZ 4.22Å; E206-R499 IonicContact OE1-NH1 3.11Å; E206-R499 PolarHBondContact OE1-NH1 2.87Å
207	I	87.2	Confident	84.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-39.4	175.4	-65.7	168.3	0	0	0	111.1	Y145 F147 V190 L203 L204 W209 T210 F239 R241	Y145-I207 HydrophobicContact CE1-CG2 3.9Å; F147-I207 HydrophobicContact CB-CG2 4.39Å; F147-I207 HydrophobicContact CD1-CG2 4.17Å; F147-I207 HydrophobicContact CE1-CD1 4.11Å; F147-I207 HydrophobicContact CG-CG2 4.23Å; F147-I207 HydrophobicContact CZ-CD1 4.23Å; V190-I207 HydrophobicContact CG1-CD1 4.32Å; V190-I207 HydrophobicContact CG2-CG2 4.25Å; L203-I207 HydrophobicContact CD2-CD1 4.37Å; L203-I207 HydrophobicContact CG-CD1 4.04Å; L203-I207 WeakPolarHBondContact O-CG1 3.26Å; L203-I207 PolarHBondContact O-N 2.86Å; L204-I207 PolarHBondContact O-N 3.01Å; L204-I207 VanDerWaalsContact O-N 3.13Å; I207-W209 PolarHBondContact O-N 3.23Å; I207-T210 PolarHBondContact O-N 2.7Å; I207-T210 PolarHBondContact O-OG1 2.81Å; I207-F239 HydrophobicContact CD1-CG 4.48Å; I207-F239 HydrophobicContact CG1-CD1 3.99Å; I207-F239 HydrophobicContact CG1-CD2 3.9Å; I207-F239 HydrophobicContact CG1-CE1 3.99Å; I207-F239 HydrophobicContact CG1-CE2 3.91Å; I207-F239 HydrophobicContact CG1-CG 3.93Å; I207-F239 HydrophobicContact CG1-CZ 3.94Å; I207-R241 PolarHBondContact O-NH2 3.29Å
208	I	86.1	Confident	84.2	Confident	61 Å²	61	35 Å²	35	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-59.8	-49.6	-176.5	-71.3	163.3	0	0	0	111.5	I136 Y145 L204 T210 E211	I136-I208 HydrophobicContact CD1-CD1 3.99Å; I136-I208 HydrophobicContact CG2-CD1 3.99Å; Y145-I208 HydrophobicContact CD1-CD1 4.32Å; Y145-I208 HydrophobicContact CD1-CG1 3.71Å; Y145-I208 HydrophobicContact CD2-CD1 4.23Å; Y145-I208 HydrophobicContact CD2-CG1 3.71Å; Y145-I208 HydrophobicContact CE1-CG1 3.68Å; Y145-I208 HydrophobicContact CE2-CB 4.48Å; Y145-I208 HydrophobicContact CE2-CG1 3.69Å; Y145-I208 HydrophobicContact CG-CD1 4.05Å; Y145-I208 HydrophobicContact CG-CG1 3.72Å; L204-I208 WeakPolarHBondContact O-CD1 3.4Å; L204-I208 WeakPolarHBondContact O-CG1 3.48Å; L204-I208 PolarHBondContact O-N 2.87Å; I208-T210 VanDerWaalsContact C-N 3.25Å; I208-T210 PolarHBondContact O-N 2.93Å; I208-E211 VanDerWaalsContact O-CB 3.29Å; I208-E211 WeakPolarHBondContact O-CB 3.34Å; I208-E211 PolarHBondContact O-N 3.19Å; I208-E211 VanDerWaalsContact O-N 3.15Å
209	W	82	Confident	84	Confident	24 Å²	24	36.7 Å²	36.7	9%	0.091	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-28.8	-177	74.5	-99.8	0	0	0	112.7	F109 V113 E206 I207 E211 S212 F233	F109-W209 HydrophobicContact CB-CE3 4.25Å; V113-W209 HydrophobicContact CG2-CB 3.9Å; E206-W209 VanDerWaalsContact CA-CD1 3.47Å; E206-W209 PolarHBondContact O-NE1 3.28Å; E206-W209 PolarHBondContact OE2-NE1 3.38Å; I207-W209 PolarHBondContact O-N 3.23Å; W209-E211 PolarHBondContact O-N 2.86Å; W209-S212 PolarHBondContact O-N 3.42Å; W209-S212 PolarHBondContact O-OG 3.39Å; W209-F233 HydrophobicContact CH2-CE1 4.04Å; W209-F233 HydrophobicContact CH2-CE2 4.2Å; W209-F233 AromaticContact CH2-CZ 3.67Å; W209-F233 HydrophobicContact CH2-CZ 3.67Å; W209-F233 AromaticContact CZ2-CE1 3.95Å; W209-F233 HydrophobicContact CZ2-CE1 3.95Å; W209-F233 AromaticContact CZ2-CZ 3.71Å; W209-F233 HydrophobicContact CZ2-CZ 3.71Å
210	T	86.1	Confident	83.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71.2	-11.2	177.4	64.2	0	0	0	0	113.7	E206 I207 I208 S212 L213 F233 F239 R241	E206-T210 WeakPolarHBondContact O-CG2 3.3Å; I207-T210 PolarHBondContact O-N 2.7Å; I207-T210 PolarHBondContact O-OG1 2.81Å; I208-T210 VanDerWaalsContact C-N 3.25Å; I208-T210 PolarHBondContact O-N 2.93Å; T210-S212 PolarHBondContact O-N 2.96Å; T210-L213 VanDerWaalsContact O-CB 3.27Å; T210-L213 WeakPolarHBondContact O-CB 2.92Å; T210-L213 WeakPolarHBondContact O-CG 3.3Å; T210-L213 PolarHBondContact O-N 2.79Å; T210-L213 VanDerWaalsContact O-N 3.07Å; T210-F233 HydrophobicContact CG2-CD1 3.62Å; T210-F233 HydrophobicContact CG2-CE1 3.42Å; T210-F233 VanDerWaalsContact CG2-CE1 3.42Å; T210-F233 HydrophobicContact CG2-CZ 4.36Å; T210-F239 HydrophobicContact CG2-CE2 4.12Å; T210-F239 HydrophobicContact CG2-CZ 3.86Å; T210-R241 WeakPolarHBondContact O-CD 3.34Å; T210-R241 PolarHBondContact O-NE 3.01Å; T210-R241 PolarHBondContact OG1-NE 2.69Å; T210-R241 PolarHBondContact OG1-NH2 2.66Å
211	E	85.2	Confident	83.2	Confident	67 Å²	67	36.8 Å²	36.8	31%	0.313	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.3	174.8	-172.7	169.5	-176.9	0	0	112.5	Y145 K187 I208 W209 L213 D214	Y145-E211 WeakPolarHBondContact CE2-OE2 3.42Å; Y145-E211 PolarHBondContact OH-OE2 3.42Å; K187-E211 IonicContact NZ-OE1 3.29Å; I208-E211 VanDerWaalsContact O-CB 3.29Å; I208-E211 WeakPolarHBondContact O-CB 3.34Å; I208-E211 PolarHBondContact O-N 3.19Å; I208-E211 VanDerWaalsContact O-N 3.15Å; W209-E211 PolarHBondContact O-N 2.86Å; E211-L213 PolarHBondContact O-N 3.13Å; E211-L213 VanDerWaalsContact O-N 3.07Å; E211-D214 WeakPolarHBondContact O-CB 3.45Å; E211-D214 PolarHBondContact O-N 3.2Å; E211-D214 VanDerWaalsContact O-N 3.11Å
212	S	82.9	Confident	82.5	Confident	23 Å²	23	36.8 Å²	36.8	16%	0.161	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.4	174	65.1	0	0	0	0	114.2	F109 W209 T210 D214	F109-S212 WeakPolarHBondContact CD1-OG 3.46Å; W209-S212 PolarHBondContact O-N 3.42Å; W209-S212 PolarHBondContact O-OG 3.39Å; T210-S212 PolarHBondContact O-N 2.96Å; S212-D214 VanDerWaalsContact C-N 3.3Å; S212-D214 PolarHBondContact O-N 2.92Å
213	L	86.3	Confident	81.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-71.6	-24	177.4	-59.6	178.9	0	0	0	112.6	I102 R105 S106 T210 E211 E215 I216 F217 F233	I102-L213 HydrophobicContact CG2-CD2 4.43Å; R105-L213 HydrophobicContact CB-CD2 4.4Å; R105-L213 HydrophobicContact CG-CD2 4.18Å; S106-L213 VanDerWaalsContact OG-CD2 3.3Å; S106-L213 WeakPolarHBondContact OG-CD2 3.37Å; T210-L213 VanDerWaalsContact O-CB 3.27Å; T210-L213 WeakPolarHBondContact O-CB 2.92Å; T210-L213 WeakPolarHBondContact O-CG 3.3Å; T210-L213 PolarHBondContact O-N 2.79Å; T210-L213 VanDerWaalsContact O-N 3.07Å; E211-L213 PolarHBondContact O-N 3.13Å; E211-L213 VanDerWaalsContact O-N 3.07Å; L213-E215 PolarHBondContact O-N 3.13Å; L213-I216 PolarHBondContact O-N 3.01Å; L213-F217 HydrophobicContact CB-CD2 4.08Å; L213-F217 HydrophobicContact CB-CE1 4.31Å; L213-F217 HydrophobicContact CB-CE2 3.56Å; L213-F217 HydrophobicContact CB-CZ 3.7Å; L213-F217 HydrophobicContact CD1-CZ 4.11Å; L213-F217 WeakPolarHBondContact O-CD2 3.47Å; L213-F217 VanDerWaalsContact O-CG 3.25Å; L213-F217 WeakPolarHBondContact O-CG 3.43Å; L213-F217 PolarHBondContact O-N 2.87Å; L213-F233 HydrophobicContact CD1-CB 3.93Å; L213-F233 HydrophobicContact CD1-CD1 4.45Å; L213-F233 HydrophobicContact CD1-CG 4.14Å
214	D	85.7	Confident	80.7	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.043	21%	0.211	C	C	.	.	H	α-helix	trans	-57.1	-35.9	179.3	-78.1	16.8	0	0	0	112.3	S188 E211 S212 I216 K218 R241	S188-D214 WeakPolarHBondContact CB-OD1 3.17Å; S188-D214 PolarHBondContact N-OD2 3.46Å; S188-D214 VanDerWaalsContact OG-CG 3.32Å; S188-D214 PolarHBondContact OG-OD1 3.08Å; S188-D214 PolarHBondContact OG-OD2 3.37Å; E211-D214 WeakPolarHBondContact O-CB 3.45Å; E211-D214 PolarHBondContact O-N 3.2Å; E211-D214 VanDerWaalsContact O-N 3.11Å; S212-D214 VanDerWaalsContact C-N 3.3Å; S212-D214 PolarHBondContact O-N 2.92Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-I216 PolarHBondContact O-N 3.41Å; D214-K218 WeakPolarHBondContact O-CB 3.35Å; D214-K218 WeakPolarHBondContact O-CE 3.48Å; D214-K218 VanDerWaalsContact O-CG 3.24Å; D214-K218 WeakPolarHBondContact O-CG 3.33Å; D214-K218 PolarHBondContact O-N 3.13Å; D214-R241 IonicContact OD1-NH1 3.65Å
215	E	84.2	Confident	79.2	Confident	124 Å²	124	47.4 Å²	47.4	58%	0.579	23%	0.233	S	C	*	.	H	α-helix	trans	-62.2	-42.5	176.7	-63.7	-175	155.1	0	0	111.6	R105 L213 A219	R105-E215 IonicContact NH2-OE2 2.84Å; R105-E215 PolarHBondContact NH2-OE2 3.43Å; L213-E215 PolarHBondContact O-N 3.13Å; E215-A219 WeakPolarHBondContact O-CB 3.37Å; E215-A219 PolarHBondContact O-N 2.9Å
216	I	83.4	Confident	78.1	Confident	29 Å²	29	48.6 Å²	48.6	15%	0.149	23%	0.232	C	C	.	.	H	α-helix	trans	-73.7	-44.4	179.2	-66.5	-142.1	0	0	0	110.9	I102 R105 L213 D214 K218 A219 R220	I102-I216 HydrophobicContact CG1-CG2 4.14Å; R105-I216 HydrophobicContact CB-CD1 3.29Å; R105-I216 HydrophobicContact CB-CG1 4.2Å; R105-I216 HydrophobicContact CG-CD1 3.41Å; R105-I216 VanDerWaalsContact CG-CD1 3.41Å; R105-I216 HydrophobicContact CG-CG1 3.85Å; L213-I216 PolarHBondContact O-N 3.01Å; D214-I216 VanDerWaalsContact C-N 3.34Å; D214-I216 PolarHBondContact O-N 3.41Å; I216-K218 VanDerWaalsContact C-N 3.26Å; I216-K218 PolarHBondContact O-N 3.09Å; I216-A219 PolarHBondContact O-N 2.82Å; I216-R220 HydrophobicContact CG2-CG 3.86Å; I216-R220 VanDerWaalsContact O-CB 3.31Å; I216-R220 WeakPolarHBondContact O-CB 3.34Å; I216-R220 VanDerWaalsContact O-CG 3.27Å; I216-R220 WeakPolarHBondContact O-CG 3.34Å; I216-R220 PolarHBondContact O-N 3.12Å
217	F	85.1	Confident	77.1	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-54.4	-46.2	178.2	-67.1	-30.5	0	0	0	111.1	I102 L213 R221 Q231 R241 Y243	I102-F217 HydrophobicContact CD1-CD1 4Å; I102-F217 HydrophobicContact CD1-CE1 3.7Å; I102-F217 HydrophobicContact CG1-CD1 4.06Å; I102-F217 HydrophobicContact CG1-CE1 3.82Å; I102-F217 HydrophobicContact CG2-CE1 3.87Å; I102-F217 HydrophobicContact CG2-CZ 4.47Å; L213-F217 HydrophobicContact CB-CD2 4.08Å; L213-F217 HydrophobicContact CB-CE1 4.31Å; L213-F217 HydrophobicContact CB-CE2 3.56Å; L213-F217 HydrophobicContact CB-CZ 3.7Å; L213-F217 HydrophobicContact CD1-CZ 4.11Å; L213-F217 WeakPolarHBondContact O-CD2 3.47Å; L213-F217 VanDerWaalsContact O-CG 3.25Å; L213-F217 WeakPolarHBondContact O-CG 3.43Å; L213-F217 PolarHBondContact O-N 2.87Å; F217-R221 VanDerWaalsContact O-CB 3.31Å; F217-R221 WeakPolarHBondContact O-CB 3.45Å; F217-R221 PolarHBondContact O-N 3Å; F217-R221 VanDerWaalsContact O-N 3.11Å; F217-Q231 HydrophobicContact CD1-CB 3.85Å; F217-Q231 HydrophobicContact CE1-CB 3.97Å; F217-R241 HydrophobicContact CE2-CG 4.29Å; F217-Y243 HydrophobicContact CB-CD1 3.62Å; F217-Y243 HydrophobicContact CB-CD2 3.95Å; F217-Y243 HydrophobicContact CB-CE1 4.12Å; F217-Y243 HydrophobicContact CB-CE2 4.46Å; F217-Y243 HydrophobicContact CB-CG 3.5Å; F217-Y243 HydrophobicContact CD2-CG 4.24Å; F217-Y243 HydrophobicContact CG-CD1 4.43Å; F217-Y243 HydrophobicContact CG-CG 4.08Å; F217-Y243 WeakPolarHBondContact O-CE1 3.34Å
218	K	85	Confident	76	Confident	78 Å²	78	48.6 Å²	48.6	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-66.4	-53.5	175	-69	177	-140	-174.5	0	112.6	E186 D214 I216 R220 R221 A222 Y243	E186-K218 WeakPolarHBondContact O-CE 3.47Å; E186-K218 PolarHBondContact O-NZ 2.8Å; D214-K218 WeakPolarHBondContact O-CB 3.35Å; D214-K218 WeakPolarHBondContact O-CE 3.48Å; D214-K218 VanDerWaalsContact O-CG 3.24Å; D214-K218 WeakPolarHBondContact O-CG 3.33Å; D214-K218 PolarHBondContact O-N 3.13Å; I216-K218 VanDerWaalsContact C-N 3.26Å; I216-K218 PolarHBondContact O-N 3.09Å; K218-R220 PolarHBondContact O-N 3.45Å; K218-R221 PolarHBondContact O-N 3.02Å; K218-A222 WeakPolarHBondContact O-CB 3.39Å; K218-A222 PolarHBondContact O-N 2.94Å; K218-Y243 HydrophobicContact CG-CE2 3.84Å
219	A	79.9	Confident	75.2	Confident	54 Å²	54	45.7 Å²	45.7	45%	0.446	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-33.2	-174.6	0	0	0	0	0	112.7	E215 I216	E215-A219 WeakPolarHBondContact O-CB 3.37Å; E215-A219 PolarHBondContact O-N 2.9Å; I216-A219 PolarHBondContact O-N 2.82Å
220	R	75.3	Confident	75.4	Confident	79 Å²	79	44.7 Å²	44.7	30%	0.298	22%	0.217	S	C	.	.	H	α-helix	trans	-83	-40.4	179.4	-64.5	-70.5	179.5	170.2	0.9	112.7	L98 A101 I216 K218 A222 R223 E224	L98-R220 HydrophobicContact CD1-CB 3.19Å; L98-R220 HydrophobicContact CD1-CG 3.88Å; A101-R220 HydrophobicContact CB-CG 4.46Å; I216-R220 HydrophobicContact CG2-CG 3.86Å; I216-R220 VanDerWaalsContact O-CB 3.31Å; I216-R220 WeakPolarHBondContact O-CB 3.34Å; I216-R220 VanDerWaalsContact O-CG 3.27Å; I216-R220 WeakPolarHBondContact O-CG 3.34Å; I216-R220 PolarHBondContact O-N 3.12Å; K218-R220 PolarHBondContact O-N 3.45Å; R220-A222 PolarHBondContact O-N 3.37Å; R220-R223 WeakPolarHBondContact O-CB 2.95Å; R220-R223 PolarHBondContact O-N 3.06Å; R220-E224 PolarHBondContact O-N 3.41Å
221	R	75.3	Confident	75.6	Confident	13 Å²	13	44.7 Å²	44.7	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-41.1	170.6	-177.7	-160.8	172.6	100.1	0	111.2	N175 F217 K218 R223 E224 F225 Y243 D703	N175-R221 PolarHBondContact ND2-NH2 3.07Å; F217-R221 VanDerWaalsContact O-CB 3.31Å; F217-R221 WeakPolarHBondContact O-CB 3.45Å; F217-R221 PolarHBondContact O-N 3Å; F217-R221 VanDerWaalsContact O-N 3.11Å; K218-R221 PolarHBondContact O-N 3.02Å; R221-R223 PolarHBondContact O-N 2.91Å; R221-E224 CarbonylContact O-C 3.51Å; R221-E224 VanDerWaalsContact O-C 3.31Å; R221-E224 WeakPolarHBondContact O-CA 3.41Å; R221-E224 PolarHBondContact O-N 2.86Å; R221-F225 PolarHBondContact O-N 2.89Å; R221-Y243 HydrophobicContact CB-CE1 3.81Å; R221-Y243 WeakPolarHBondContact CD-OH 3.41Å; R221-Y243 HydrophobicContact CG-CE1 4.2Å; R221-D703 IonicContact NE-OD2 3.18Å; R221-D703 IonicContact NH2-OD1 3.93Å; R221-D703 PolarHBondContact NH2-OD1 3.44Å; R221-D703 IonicContact NH2-OD2 3.02Å; R221-D703 PolarHBondContact NH2-OD2 2.83Å
222	A	66.8	Low	75.9	Confident	44 Å²	44	41.6 Å²	41.6	36%	0.364	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-1.3	175.7	0	0	0	0	0	114.3	K218 R220 F225	K218-A222 WeakPolarHBondContact O-CB 3.39Å; K218-A222 PolarHBondContact O-N 2.94Å; R220-A222 PolarHBondContact O-N 3.37Å; A222-F225 HydrophobicContact CB-CE1 4.02Å; A222-F225 HydrophobicContact CB-CZ 3.83Å; A222-F225 WeakPolarHBondContact O-CD2 3.43Å; A222-F225 WeakPolarHBondContact O-CE2 3.05Å; A222-F225 WeakPolarHBondContact O-CZ 3.44Å
223	R	65.8	Low	76.4	Confident	182 Å²	182	40.5 Å²	40.5	69%	0.687	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-17.3	168.1	-64	-179.8	-178	-174.9	-0.3	112.4	R220 R221	R220-R223 WeakPolarHBondContact O-CB 2.95Å; R220-R223 PolarHBondContact O-N 3.06Å; R221-R223 PolarHBondContact O-N 2.91Å
224	E	63.1	Low	76.7	Confident	26 Å²	26	40.5 Å²	40.5	12%	0.121	20%	0.195	C	C	.	.			trans	-121	34.2	-173.4	-61.2	-168.5	-177.1	0	0	111.9	R94 R95 R220 R221 F226 A227	R94-E224 WeakPolarHBondContact CB-OE1 3.34Å; R95-E224 IonicContact CZ-OE2 3.52Å; R95-E224 IonicContact NH1-OE2 3.88Å; R95-E224 PolarHBondContact NH1-OE2 2.69Å; R220-E224 PolarHBondContact O-N 3.41Å; R221-E224 CarbonylContact O-C 3.51Å; R221-E224 VanDerWaalsContact O-C 3.31Å; R221-E224 WeakPolarHBondContact O-CA 3.41Å; R221-E224 PolarHBondContact O-N 2.86Å; E224-F226 PolarHBondContact O-N 2.94Å; E224-A227 PolarHBondContact O-N 3.29Å
225	F	54.9	Low	77.1	Confident	106 Å²	106	40.1 Å²	40.1	47%	0.465	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-19.1	-174.3	-67.3	-72.9	0	0	0	116.5	N177 R221 A222	N177-F225 PolarHBondContact ND2-O 3.49Å; R221-F225 PolarHBondContact O-N 2.89Å; A222-F225 HydrophobicContact CB-CE1 4.02Å; A222-F225 HydrophobicContact CB-CZ 3.83Å; A222-F225 WeakPolarHBondContact O-CD2 3.43Å; A222-F225 WeakPolarHBondContact O-CE2 3.05Å; A222-F225 WeakPolarHBondContact O-CZ 3.44Å
226	F	57.2	Low	77.3	Confident	80 Å²	80	36.5 Å²	36.5	35%	0.351	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-6.6	-165.9	-49.9	-60.8	0	0	0	114.7	E224 R700	E224-F226 PolarHBondContact O-N 2.94Å; F226-R700 HydrophobicContact CD1-CB 4.24Å; F226-R700 HydrophobicContact CD1-CG 4.12Å; F226-R700 HydrophobicContact CE1-CB 4.3Å; F226-R700 HydrophobicContact CE1-CG 4.29Å
227	A	62.6	Low	77.6	Confident	21 Å²	21	38.6 Å²	38.6	17%	0.174	18%	0.184	C	C	.	.	S	Bend	trans	-143.2	130.8	-171	0	0	0	0	0	110.2	F91 E224 S229 E510	F91-A227 HydrophobicContact CE2-CB 4.41Å; E224-A227 PolarHBondContact O-N 3.29Å; A227-S229 PolarHBondContact O-N 2.76Å; A227-S229 VanDerWaalsContact O-N 3.17Å; A227-E510 VanDerWaalsContact C-OE1 3.27Å; A227-E510 WeakPolarHBondContact CA-OE1 3.38Å; A227-E510 VanDerWaalsContact CB-OE1 3.25Å; A227-E510 WeakPolarHBondContact CB-OE1 3.46Å
228	A	62.9	Low	77.8	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.008	18%	0.184	C	C	.	.			trans	-66	116	178.1	0	0	0	0	0	109.7	N177 F178 L507 E510	N177-A228 VanDerWaalsContact O-CB 3.23Å; N177-A228 WeakPolarHBondContact O-CB 3.48Å; F178-A228 HydrophobicContact CD1-CB 4.01Å; F178-A228 HydrophobicContact CD2-CB 4.32Å; F178-A228 HydrophobicContact CE1-CB 3.8Å; F178-A228 HydrophobicContact CE2-CB 4.02Å; F178-A228 HydrophobicContact CG-CB 4.25Å; F178-A228 HydrophobicContact CZ-CB 3.78Å; A228-L507 HydrophobicContact CB-CD1 3.66Å; A228-L507 HydrophobicContact CB-CG 4.33Å; A228-E510 PolarHBondContact N-OE1 3.35Å
229	S	70.7	Confident	78.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.			trans	-122.6	102.7	170.4	52.7	0	0	0	0	108.6	A227 Q231	A227-S229 PolarHBondContact O-N 2.76Å; A227-S229 VanDerWaalsContact O-N 3.17Å; S229-Q231 PolarHBondContact O-N 2.95Å
230	W	86.3	Confident	78.9	Confident	4 Å²	4	32.3 Å²	32.3	2%	0.015	15%	0.147	C	C	.	.			trans	-64.7	125.1	162.4	-64.5	111.3	0	0	0	107.7	F178 L181 V183 Y232 F242 P244 L480 A504 S505	F178-W230 AromaticContact CD1-CE2 3.99Å; F178-W230 HydrophobicContact CD1-CH2 4.13Å; F178-W230 AromaticContact CD1-CZ2 3.77Å; F178-W230 HydrophobicContact CD1-CZ2 3.77Å; F178-W230 HydrophobicContact CE1-CD2 4.22Å; F178-W230 HydrophobicContact CE1-CE3 4.46Å; F178-W230 HydrophobicContact CE1-CH2 4.5Å; F178-W230 HydrophobicContact CE1-CZ2 4.26Å; L181-W230 HydrophobicContact CD1-CZ2 4.29Å; V183-W230 HydrophobicContact CG1-CH2 4.16Å; W230-Y232 HydrophobicContact CB-CD1 4.38Å; W230-Y232 HydrophobicContact CB-CE1 4.35Å; W230-F242 HydrophobicContact CE3-CD2 4.47Å; W230-F242 HydrophobicContact CZ3-CD2 4.27Å; W230-P244 HydrophobicContact CZ3-CG 4.09Å; W230-P244 WeakPolarHBondContact CZ3-O 3.31Å; W230-L480 HydrophobicContact CD2-CB 4.49Å; W230-L480 HydrophobicContact CE3-CD1 4.43Å; W230-A504 WeakPolarHBondContact O-CA 3.26Å; W230-S505 PolarHBondContact O-N 3.27Å
231	Q	89.6	Confident	79.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.8	178.1	-68.4	168	73.2	0	0	107.6	L98 I102 F217 S229 F242 Y243	L98-Q231 HydrophobicContact CD1-CG 4.34Å; L98-Q231 VanDerWaalsContact CD1-OE1 3.29Å; L98-Q231 HydrophobicContact CD2-CG 3.51Å; L98-Q231 HydrophobicContact CG-CG 3.91Å; I102-Q231 HydrophobicContact CD1-CB 4Å; I102-Q231 HydrophobicContact CD1-CG 4.1Å; F217-Q231 HydrophobicContact CD1-CB 3.85Å; F217-Q231 HydrophobicContact CE1-CB 3.97Å; S229-Q231 PolarHBondContact O-N 2.95Å; Q231-F242 CarbonylContact O-C 3.56Å; Q231-F242 WeakPolarHBondContact O-CA 3.44Å; Q231-Y243 PolarHBondContact N-O 3.41Å; Q231-Y243 VanDerWaalsContact N-O 3.12Å; Q231-Y243 PolarHBondContact O-N 3.06Å
232	Y	90.3	Very high	80.6	Confident	1 Å²	1	28.3 Å²	28.3	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.5	-178.2	42.8	-98.6	0	0	0	114.3	W230 M240 R241 W267 Y476 T487 V502 G503 S505	W230-Y232 HydrophobicContact CB-CD1 4.38Å; W230-Y232 HydrophobicContact CB-CE1 4.35Å; Y232-M240 VanDerWaalsContact CB-CE 3.44Å; Y232-M240 HydrophobicContact CD1-CE 3.72Å; Y232-M240 HydrophobicContact CD2-CE 3.89Å; Y232-M240 HydrophobicContact CE1-CE 4.34Å; Y232-M240 HydrophobicContact CE2-CE 4.49Å; Y232-M240 HydrophobicContact CG-CE 3.41Å; Y232-M240 VanDerWaalsContact CG-CE 3.41Å; Y232-R241 CarbonylContact C-O 3.54Å; Y232-R241 WeakPolarHBondContact CA-O 3.39Å; Y232-R241 WeakPolarHBondContact CB-O 3.46Å; Y232-W267 HydrophobicContact CD2-CE3 4.44Å; Y232-W267 AromaticContact CD2-CH2 3.42Å; Y232-W267 HydrophobicContact CD2-CH2 3.42Å; Y232-W267 VanDerWaalsContact CD2-CH2 3.42Å; Y232-W267 AromaticContact CD2-CZ2 3.63Å; Y232-W267 HydrophobicContact CD2-CZ2 3.63Å; Y232-W267 AromaticContact CD2-CZ3 3.87Å; Y232-W267 HydrophobicContact CD2-CZ3 3.87Å; Y232-W267 AromaticContact CE2-CD2 3.72Å; Y232-W267 HydrophobicContact CE2-CD2 3.72Å; Y232-W267 AromaticContact CE2-CE2 3.52Å; Y232-W267 AromaticContact CE2-CE3 3.82Å; Y232-W267 HydrophobicContact CE2-CE3 3.82Å; Y232-W267 HydrophobicContact CE2-CG 4.46Å; Y232-W267 AromaticContact CE2-CH2 3.52Å; Y232-W267 HydrophobicContact CE2-CH2 3.52Å; Y232-W267 AromaticContact CE2-CZ2 3.46Å; Y232-W267 HydrophobicContact CE2-CZ2 3.46Å; Y232-W267 VanDerWaalsContact CE2-CZ2 3.46Å; Y232-W267 AromaticContact CE2-CZ3 3.71Å; Y232-W267 HydrophobicContact CE2-CZ3 3.71Å; Y232-Y476 PolarHBondContact OH-OH 3.41Å; Y232-T487 HydrophobicContact CE2-CG2 4.05Å; Y232-T487 WeakPolarHBondContact OH-CB 3.37Å; Y232-T487 WeakPolarHBondContact OH-CG2 3.37Å; Y232-T487 PolarHBondContact OH-OG1 2.74Å; Y232-V502 CarbonylContact O-C 3.41Å; Y232-V502 WeakPolarHBondContact O-CA 3.46Å; Y232-G503 PolarHBondContact N-O 2.76Å; Y232-G503 PolarHBondContact O-N 3.08Å; Y232-S505 WeakPolarHBondContact CE1-OG 3.49Å; Y232-S505 PolarHBondContact OH-OG 2.81Å; Y232-S505 VanDerWaalsContact OH-OG 3.05Å
233	F	93.6	Very high	81.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	120.5	170.5	169.7	-103.7	0	0	0	108.2	W209 T210 L213 F239 M240 R241 V492 V502	W209-F233 HydrophobicContact CH2-CE1 4.04Å; W209-F233 HydrophobicContact CH2-CE2 4.2Å; W209-F233 AromaticContact CH2-CZ 3.67Å; W209-F233 HydrophobicContact CH2-CZ 3.67Å; W209-F233 AromaticContact CZ2-CE1 3.95Å; W209-F233 HydrophobicContact CZ2-CE1 3.95Å; W209-F233 AromaticContact CZ2-CZ 3.71Å; W209-F233 HydrophobicContact CZ2-CZ 3.71Å; T210-F233 HydrophobicContact CG2-CD1 3.62Å; T210-F233 HydrophobicContact CG2-CE1 3.42Å; T210-F233 VanDerWaalsContact CG2-CE1 3.42Å; T210-F233 HydrophobicContact CG2-CZ 4.36Å; L213-F233 HydrophobicContact CD1-CB 3.93Å; L213-F233 HydrophobicContact CD1-CD1 4.45Å; L213-F233 HydrophobicContact CD1-CG 4.14Å; F233-F239 HydrophobicContact CD1-CE2 4.37Å; F233-F239 HydrophobicContact CE1-CE2 4.35Å; F233-F239 HydrophobicContact CE1-CZ 4.09Å; F233-M240 CarbonylContact O-C 3.59Å; F233-M240 WeakPolarHBondContact O-CA 3.41Å; F233-R241 PolarHBondContact N-O 2.76Å; F233-R241 PolarHBondContact O-N 3.02Å; F233-V492 HydrophobicContact CD2-CG2 4.19Å; F233-V492 HydrophobicContact CE2-CB 4.33Å; F233-V492 HydrophobicContact CE2-CG2 3.93Å; F233-V502 HydrophobicContact CB-CG1 4.33Å; F233-V502 HydrophobicContact CD2-CG1 3.7Å; F233-V502 HydrophobicContact CG-CG1 4.5Å
234	C	94.4	Very high	82.9	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122	170.3	173.8	0	0	0	0	108.8	C262 W267 Y268 G500 V501	C234-C262 HydrophobicContact CB-CB 3.71Å; C234-C262 WeakPolarHBondContact CB-SG 3.24Å; C234-C262 WeakPolarHBondContact SG-CB 3.42Å; C234-C262 CovalentContact SG-SG 2.03Å; C234-C262 PolarHBondContact SG-SG 3.31Å; C234-W267 HydrophobicContact CB-CH2 3.31Å; C234-W267 HydrophobicContact CB-CZ2 4.02Å; C234-W267 HydrophobicContact CB-CZ3 4.13Å; C234-Y268 HydrophobicContact CB-CD2 3.89Å; C234-Y268 HydrophobicContact CB-CE2 4.2Å; C234-Y268 WeakPolarHBondContact SG-CD2 3.27Å; C234-Y268 VanDerWaalsContact SG-CE2 3.56Å; C234-G500 CarbonylContact O-C 3.47Å; C234-G500 WeakPolarHBondContact O-CA 3.44Å; C234-V501 PolarHBondContact N-O 2.81Å; C234-V501 PolarHBondContact O-N 2.91Å
235	S	92.2	Very high	84.3	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	153	177.8	178.4	0	0	0	0	111.2	K237 G238 F239	S235-K237 PolarHBondContact O-N 3.36Å; S235-K237 VanDerWaalsContact O-N 3.13Å; S235-K237 PolarHBondContact OG-N 2.83Å; S235-G238 PolarHBondContact O-N 3.01Å; S235-F239 PolarHBondContact N-O 2.97Å; S235-F239 WeakPolarHBondContact OG-CE1 3.42Å
236	Q	89.4	Confident	86	Confident	48 Å²	48	11.5 Å²	11.5	22%	0.224	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.3	167.7	67	178.6	-16	0	0	113.6	G238 Y268 F498 R499	Q236-G238 VanDerWaalsContact C-N 3.27Å; Q236-G238 PolarHBondContact O-N 2.85Å; Q236-Y268 WeakPolarHBondContact CA-OH 3.48Å; Q236-F498 HydrophobicContact CB-CD1 4.22Å; Q236-F498 HydrophobicContact CB-CE1 4.13Å; Q236-F498 PolarHBondContact NE2-O 3.09Å; Q236-F498 PolarHBondContact OE1-O 3.13Å; Q236-R499 PolarHBondContact N-O 3.5Å
237	K	88.7	Confident	87.4	Confident	73 Å²	73	9.2 Å²	9.2	32%	0.317	5%	0.048	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.8	174.8	-67	-71.7	-164.3	160.5	0	113.3	E202 L203 E206 S235	E202-K237 IonicContact OE2-NZ 3.34Å; E202-K237 PolarHBondContact OE2-NZ 2.89Å; L203-K237 HydrophobicContact CD1-CB 3.88Å; E206-K237 HydrophobicContact CG-CG 4.4Å; S235-K237 PolarHBondContact O-N 3.36Å; S235-K237 VanDerWaalsContact O-N 3.13Å; S235-K237 PolarHBondContact OG-N 2.83Å
238	G	90.1	Very high	88.5	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	101.2	-16.2	170.6	0	0	0	0	0	116.5	P193 S235 Q236 C262	P193-G238 WeakPolarHBondContact CD-O 3.36Å; P193-G238 WeakPolarHBondContact CG-O 3.19Å; S235-G238 PolarHBondContact O-N 3.01Å; Q236-G238 VanDerWaalsContact C-N 3.27Å; Q236-G238 PolarHBondContact O-N 2.85Å; G238-C262 PolarHBondContact O-SG 3.43Å
239	F	93	Very high	89.5	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.052	C	C	.	.			trans	-73.9	147.8	174.9	79.1	-88.9	0	0	0	111.9	V190 H191 V192 L203 E206 I207 T210 F233 S235	V190-F239 HydrophobicContact CG1-CB 4.21Å; V190-F239 HydrophobicContact CG1-CD2 3.9Å; V190-F239 HydrophobicContact CG1-CG 4.43Å; H191-F239 CarbonylContact O-C 3.59Å; H191-F239 VanDerWaalsContact O-CA 3.3Å; H191-F239 WeakPolarHBondContact O-CA 3.49Å; V192-F239 HydrophobicContact CG2-CB 4.17Å; L203-F239 HydrophobicContact CD1-CB 4.33Å; L203-F239 HydrophobicContact CD1-CD1 3.62Å; L203-F239 HydrophobicContact CD1-CE1 4.4Å; L203-F239 HydrophobicContact CD1-CG 4.39Å; E206-F239 HydrophobicContact CB-CE1 3.69Å; E206-F239 HydrophobicContact CB-CZ 4.22Å; I207-F239 HydrophobicContact CD1-CG 4.48Å; I207-F239 HydrophobicContact CG1-CD1 3.99Å; I207-F239 HydrophobicContact CG1-CD2 3.9Å; I207-F239 HydrophobicContact CG1-CE1 3.99Å; I207-F239 HydrophobicContact CG1-CE2 3.91Å; I207-F239 HydrophobicContact CG1-CG 3.93Å; I207-F239 HydrophobicContact CG1-CZ 3.94Å; T210-F239 HydrophobicContact CG2-CE2 4.12Å; T210-F239 HydrophobicContact CG2-CZ 3.86Å; F233-F239 HydrophobicContact CD1-CE2 4.37Å; F233-F239 HydrophobicContact CE1-CE2 4.35Å; F233-F239 HydrophobicContact CE1-CZ 4.09Å; S235-F239 PolarHBondContact N-O 2.97Å; S235-F239 WeakPolarHBondContact OG-CE1 3.42Å
240	M	94.3	Very high	89.9	Confident	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.8	177	-177.6	-176.9	177.5	0	0	109.9	V190 H191 Y232 F233 F242 Y260 C262 W267 L480	V190-M240 CarbonylContact C-O 3.59Å; V190-M240 WeakPolarHBondContact CA-O 2.93Å; H191-M240 HydrophobicContact CB-CB 4.39Å; H191-M240 PolarHBondContact N-O 2.68Å; H191-M240 PolarHBondContact O-N 2.95Å; Y232-M240 VanDerWaalsContact CB-CE 3.44Å; Y232-M240 HydrophobicContact CD1-CE 3.72Å; Y232-M240 HydrophobicContact CD2-CE 3.89Å; Y232-M240 HydrophobicContact CE1-CE 4.34Å; Y232-M240 HydrophobicContact CE2-CE 4.49Å; Y232-M240 HydrophobicContact CG-CE 3.41Å; Y232-M240 VanDerWaalsContact CG-CE 3.41Å; F233-M240 CarbonylContact O-C 3.59Å; F233-M240 WeakPolarHBondContact O-CA 3.41Å; M240-F242 HydrophobicContact CE-CB 4.38Å; M240-Y260 HydrophobicContact SD-CE1 4.04Å; M240-C262 HydrophobicContact CB-CB 4.06Å; M240-C262 HydrophobicContact CG-CB 4.36Å; M240-C262 HydrophobicContact SD-CB 4.06Å; M240-W267 HydrophobicContact CE-CZ2 4.38Å; M240-L480 HydrophobicContact CE-CD1 3.84Å
241	R	93.9	Very high	89.4	Confident	7 Å²	7	17.4 Å²	17.4	3%	0.026	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.2	169.4	-176.7	-179.5	-74.8	-104.1	8.6	108.8	S188 A189 V190 I207 T210 D214 F217 Y232 F233	S188-R241 WeakPolarHBondContact OG-CD 3.5Å; S188-R241 WeakPolarHBondContact OG-CG 3.09Å; S188-R241 PolarHBondContact OG-NH1 3.41Å; A189-R241 CarbonylContact O-C 3.53Å; A189-R241 WeakPolarHBondContact O-CA 3.48Å; V190-R241 HydrophobicContact CG2-CB 4.29Å; V190-R241 HydrophobicContact CG2-CG 4.22Å; I207-R241 PolarHBondContact O-NH2 3.29Å; T210-R241 WeakPolarHBondContact O-CD 3.34Å; T210-R241 PolarHBondContact O-NE 3.01Å; T210-R241 PolarHBondContact OG1-NE 2.69Å; T210-R241 PolarHBondContact OG1-NH2 2.66Å; D214-R241 IonicContact OD1-NH1 3.65Å; F217-R241 HydrophobicContact CE2-CG 4.29Å; Y232-R241 CarbonylContact C-O 3.54Å; Y232-R241 WeakPolarHBondContact CA-O 3.39Å; Y232-R241 WeakPolarHBondContact CB-O 3.46Å; F233-R241 PolarHBondContact N-O 2.76Å; F233-R241 PolarHBondContact O-N 3.02Å
242	F	92.8	Very high	88.7	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.9	-178.2	65.5	-90.7	0	0	0	113	A150 S188 A189 H191 W230 Q231 M240 W248 L480	A150-F242 HydrophobicContact CB-CE1 3.65Å; A150-F242 HydrophobicContact CB-CZ 3.65Å; S188-F242 VanDerWaalsContact CA-O 3.29Å; S188-F242 WeakPolarHBondContact CA-O 3.16Å; S188-F242 WeakPolarHBondContact CB-O 3.46Å; A189-F242 HydrophobicContact CB-CE1 3.97Å; A189-F242 HydrophobicContact CB-CE2 3.92Å; A189-F242 HydrophobicContact CB-CZ 3.58Å; A189-F242 PolarHBondContact N-O 2.87Å; A189-F242 PolarHBondContact O-N 2.95Å; H191-F242 HydrophobicContact CB-CE1 4.25Å; W230-F242 HydrophobicContact CE3-CD2 4.47Å; W230-F242 HydrophobicContact CZ3-CD2 4.27Å; Q231-F242 CarbonylContact O-C 3.56Å; Q231-F242 WeakPolarHBondContact O-CA 3.44Å; M240-F242 HydrophobicContact CE-CB 4.38Å; F242-W248 HydrophobicContact CE1-CE3 4.24Å; F242-W248 HydrophobicContact CE1-CZ3 4.39Å; F242-W248 HydrophobicContact CZ-CE3 4.46Å; F242-L480 HydrophobicContact CB-CD1 3.98Å; F242-L480 HydrophobicContact CD1-CD1 4.34Å; F242-L480 HydrophobicContact CD1-CD2 3.95Å; F242-L480 HydrophobicContact CD2-CD1 3.99Å; F242-L480 HydrophobicContact CD2-CD2 3.72Å; F242-L480 HydrophobicContact CE1-CD2 3.72Å; F242-L480 HydrophobicContact CE2-CD2 3.47Å; F242-L480 VanDerWaalsContact CE2-CD2 3.47Å; F242-L480 HydrophobicContact CG-CD1 3.85Å; F242-L480 HydrophobicContact CG-CD2 3.95Å; F242-L480 HydrophobicContact CZ-CD2 3.46Å; F242-L480 VanDerWaalsContact CZ-CD2 3.46Å
243	Y	90.8	Very high	87.9	Confident	5 Å²	5	27.5 Å²	27.5	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.6	-178.3	175.3	-89.4	0	0	0	111.6	I185 F217 K218 R221 Q231	I185-Y243 WeakPolarHBondContact O-CE2 3.47Å; I185-Y243 PolarHBondContact O-OH 3.46Å; F217-Y243 HydrophobicContact CB-CD1 3.62Å; F217-Y243 HydrophobicContact CB-CD2 3.95Å; F217-Y243 HydrophobicContact CB-CE1 4.12Å; F217-Y243 HydrophobicContact CB-CE2 4.46Å; F217-Y243 HydrophobicContact CB-CG 3.5Å; F217-Y243 HydrophobicContact CD2-CG 4.24Å; F217-Y243 HydrophobicContact CG-CD1 4.43Å; F217-Y243 HydrophobicContact CG-CG 4.08Å; F217-Y243 WeakPolarHBondContact O-CE1 3.34Å; K218-Y243 HydrophobicContact CG-CE2 3.84Å; R221-Y243 HydrophobicContact CB-CE1 3.81Å; R221-Y243 WeakPolarHBondContact CD-OH 3.41Å; R221-Y243 HydrophobicContact CG-CE1 4.2Å; Q231-Y243 PolarHBondContact N-O 3.41Å; Q231-Y243 VanDerWaalsContact N-O 3.12Å; Q231-Y243 PolarHBondContact O-N 3.06Å
244	P	90.9	Very high	87	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	S	Bend	cis	-64.6	160.9	-5.3	30.7	-36.9	0	0	0	112.4	F178 V183 N184 W230 S246	F178-P244 HydrophobicContact CD1-CG 4.2Å; F178-P244 HydrophobicContact CE1-CG 3.73Å; F178-P244 HydrophobicContact CE2-CG 4.49Å; F178-P244 HydrophobicContact CZ-CG 3.92Å; V183-P244 HydrophobicContact CB-CB 4.19Å; V183-P244 HydrophobicContact CB-CG 4.01Å; V183-P244 HydrophobicContact CG1-CG 4.11Å; V183-P244 HydrophobicContact CG2-CG 4.4Å; N184-P244 VanDerWaalsContact O-CB 3.28Å; N184-P244 WeakPolarHBondContact O-CB 3.06Å; W230-P244 HydrophobicContact CZ3-CG 4.09Å; W230-P244 WeakPolarHBondContact CZ3-O 3.31Å; P244-S246 PolarHBondContact O-N 3.48Å
245	A	91.7	Very high	86.1	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-64.7	134.7	174.6	0	0	0	0	0	110.1	I170 Y172 V183 N184 K187 A189	I170-A245 HydrophobicContact CD1-CB 3.74Å; Y172-A245 HydrophobicContact CE1-CB 4.32Å; V183-A245 CarbonylContact C-O 3.59Å; V183-A245 VanDerWaalsContact CA-O 3.27Å; V183-A245 WeakPolarHBondContact CA-O 3.39Å; N184-A245 HydrophobicContact CB-CB 4.17Å; N184-A245 PolarHBondContact N-O 2.93Å; N184-A245 PolarHBondContact O-N 3.01Å; N184-A245 VanDerWaalsContact O-N 3.08Å; K187-A245 WeakPolarHBondContact O-CB 3.4Å; K187-A245 PolarHBondContact O-N 2.98Å; A189-A245 HydrophobicContact CB-CB 3.79Å
246	S	90	Very high	85.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.			trans	-140.6	148.7	178.5	-176.7	0	0	0	0	108.4	P244	P244-S246 PolarHBondContact O-N 3.48Å
247	P	86.4	Confident	84.8	Confident	32 Å²	32	41.2 Å²	41.2	21%	0.208	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-59.2	142.4	167.4	26.8	-34.2	0	0	0	110	P182	P182-P247 HydrophobicContact CG-CG 3.94Å; P182-P247 VanDerWaalsContact O-CD 3.25Å; P182-P247 WeakPolarHBondContact O-CD 3.31Å
248	W	86.9	Confident	84.6	Confident	12 Å²	12	37.8 Å²	37.8	5%	0.045	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-76.2	136.3	175.6	-169.8	-96.9	0	0	0	110.9	A150 K151 H191 F242 Y260 Q479 L480	A150-W248 HydrophobicContact CB-CB 4.09Å; A150-W248 VanDerWaalsContact O-CB 3.24Å; A150-W248 WeakPolarHBondContact O-CB 3.35Å; A150-W248 PolarHBondContact O-N 2.96Å; K151-W248 HydrophobicContact CG-CB 4.47Å; H191-W248 HydrophobicContact CB-CE3 4.11Å; H191-W248 HydrophobicContact CB-CZ3 4.04Å; H191-W248 AromaticContact CD2-CD2 3.42Å; H191-W248 VanDerWaalsContact CD2-CD2 3.42Å; H191-W248 AromaticContact CD2-CE2 3.4Å; H191-W248 AromaticContact CD2-CE3 3.57Å; H191-W248 AromaticContact CD2-CH2 3.75Å; H191-W248 AromaticContact CD2-CZ2 3.6Å; H191-W248 AromaticContact CD2-CZ3 3.71Å; H191-W248 AromaticContact CD2-NE1 3.98Å; H191-W248 AromaticContact CG-CZ3 3.94Å; H191-W248 AromaticContact NE2-CE2 3.63Å; H191-W248 AromaticContact NE2-CZ2 3.62Å; F242-W248 HydrophobicContact CE1-CE3 4.24Å; F242-W248 HydrophobicContact CE1-CZ3 4.39Å; F242-W248 HydrophobicContact CZ-CE3 4.46Å; W248-Y260 AromaticContact CH2-CD1 3.42Å; W248-Y260 HydrophobicContact CH2-CD1 3.42Å; W248-Y260 VanDerWaalsContact CH2-CD1 3.42Å; W248-Y260 AromaticContact CH2-CE1 3.65Å; W248-Y260 HydrophobicContact CH2-CE1 3.65Å; W248-Y260 AromaticContact CH2-CG 3.89Å; W248-Y260 HydrophobicContact CH2-CG 3.89Å; W248-Y260 AromaticContact CZ2-CD1 3.56Å; W248-Y260 HydrophobicContact CZ2-CD1 3.56Å; W248-Y260 HydrophobicContact CZ2-CD2 4.37Å; W248-Y260 HydrophobicContact CZ2-CE1 4.24Å; W248-Y260 AromaticContact CZ2-CG 3.63Å; W248-Y260 HydrophobicContact CZ2-CG 3.63Å; W248-Q479 HydrophobicContact CH2-CB 4.27Å; W248-Q479 HydrophobicContact CZ2-CB 4.14Å; W248-L480 HydrophobicContact CE3-CD2 3.6Å; W248-L480 HydrophobicContact CH2-CD2 4.41Å; W248-L480 HydrophobicContact CZ3-CD2 3.36Å; W248-L480 HydrophobicContact CZ3-CG 3.92Å
249	F	83.1	Confident	84.2	Confident	51 Å²	51	44.4 Å²	44.4	22%	0.224	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-86.8	125.8	173.5	-67.1	-83.9	0	0	0	110.7	L181 Q479 L480 H482	L181-F249 HydrophobicContact CD2-CZ 3.96Å; F249-Q479 WeakPolarHBondContact CD2-O 3.29Å; F249-L480 VanDerWaalsContact CE2-O 3.27Å; F249-L480 WeakPolarHBondContact CE2-O 3.15Å; F249-H482 WeakPolarHBondContact CB-NE2 3.24Å; F249-H482 AromaticContact CD1-CD2 3.37Å; F249-H482 WeakPolarHBondContact CD1-CD2 3.09Å; F249-H482 AromaticContact CD1-NE2 3.2Å; F249-H482 WeakPolarHBondContact CD1-NE2 3.49Å; F249-H482 AromaticContact CD2-CD2 3.48Å; F249-H482 VanDerWaalsContact CD2-CD2 3.48Å; F249-H482 WeakPolarHBondContact CD2-CD2 3.19Å; F249-H482 AromaticContact CD2-NE2 3.71Å; F249-H482 AromaticContact CE1-CD2 3.71Å; F249-H482 AromaticContact CE2-CD2 3.81Å; F249-H482 AromaticContact CG-CD2 3.25Å; F249-H482 WeakPolarHBondContact CG-CD2 3.44Å; F249-H482 AromaticContact CG-NE2 3.02Å; F249-H482 WeakPolarHBondContact CG-NE2 3.32Å; F249-H482 AromaticContact CZ-CD2 3.92Å
250	Y	80.4	Confident	84	Confident	36 Å²	36	46.2 Å²	46.2	14%	0.141	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-89.7	146.1	-179.9	-66	-80	0	0	0	111.3	K151 S152 C153 D252 C256 D258	K151-Y250 VanDerWaalsContact C-OH 3.27Å; K151-Y250 WeakPolarHBondContact CA-OH 3.32Å; K151-Y250 VanDerWaalsContact CB-OH 3.29Å; K151-Y250 WeakPolarHBondContact CB-OH 3.13Å; K151-Y250 HydrophobicContact CG-CE1 4.42Å; S152-Y250 PolarHBondContact N-OH 2.97Å; C153-Y250 PolarHBondContact N-OH 3.03Å; Y250-D252 VanDerWaalsContact C-N 3.26Å; Y250-D252 PolarHBondContact O-N 3.47Å; Y250-C256 VanDerWaalsContact CD1-C 3.41Å; Y250-C256 HydrophobicContact CD1-CB 4.06Å; Y250-C256 WeakPolarHBondContact CD1-O 3.37Å; Y250-C256 HydrophobicContact CE1-CB 3.86Å; Y250-C256 WeakPolarHBondContact CE1-O 3.06Å; Y250-C256 HydrophobicContact CE2-CB 4.41Å; Y250-C256 HydrophobicContact CG-CB 4.41Å; Y250-D258 HydrophobicContact CD1-CB 4.36Å
251	D	74.9	Confident	83.8	Confident	99 Å²	99	46.5 Å²	46.5	53%	0.529	23%	0.232	S	C	.	.	S	Bend	trans	-64.4	-37.4	172.1	-65.7	-46.9	0	0	0	110.8	M259	D251-M259 PolarHBondContact OD2-N 3.19Å
252	D	75.6	Confident	83.7	Confident	68 Å²	68	46.1 Å²	46.1	36%	0.364	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-129.1	106.9	170.3	-177	-12.2	0	0	0	109.5	Y250 Q254 T255 C256	Y250-D252 VanDerWaalsContact C-N 3.26Å; Y250-D252 PolarHBondContact O-N 3.47Å; D252-Q254 PolarHBondContact O-N 3.28Å; D252-Q254 WeakPolarHBondContact OD1-CA 3.47Å; D252-Q254 VanDerWaalsContact OD1-CB 3.31Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.47Å; D252-Q254 PolarHBondContact OD1-N 3.35Å; D252-T255 WeakPolarHBondContact CB-OG1 3.39Å; D252-T255 PolarHBondContact O-N 3.46Å; D252-T255 PolarHBondContact OD1-N 2.95Å; D252-T255 WeakPolarHBondContact OD2-CG2 3.38Å; D252-T255 PolarHBondContact OD2-OG1 3.21Å; D252-C256 WeakPolarHBondContact O-CA 3.37Å; D252-C256 PolarHBondContact O-N 3.28Å
253	E	72.8	Confident	83.6	Confident	146 Å²	146	47.7 Å²	47.7	68%	0.682	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.2	178.2	-67.5	-173.3	171.4	0	0	113.1
254	Q	74.3	Confident	83.6	Confident	170 Å²	170	49.3 Å²	49.3	79%	0.794	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-44.4	-179.6	-59.4	-173.3	-3.2	0	0	111.3	D252	D252-Q254 PolarHBondContact O-N 3.28Å; D252-Q254 WeakPolarHBondContact OD1-CA 3.47Å; D252-Q254 VanDerWaalsContact OD1-CB 3.31Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.47Å; D252-Q254 PolarHBondContact OD1-N 3.35Å
255	T	75.1	Confident	83.5	Confident	71 Å²	71	50.1 Å²	50.1	44%	0.436	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13	179.6	63.8	0	0	0	0	113	D252 L257	D252-T255 WeakPolarHBondContact CB-OG1 3.39Å; D252-T255 PolarHBondContact O-N 3.46Å; D252-T255 PolarHBondContact OD1-N 2.95Å; D252-T255 WeakPolarHBondContact OD2-CG2 3.38Å; D252-T255 PolarHBondContact OD2-OG1 3.21Å; T255-L257 PolarHBondContact O-N 2.84Å; T255-L257 WeakPolarHBondContact OG1-CB 3.13Å
256	C	75.1	Confident	83.3	Confident	17 Å²	17	52.2 Å²	52.2	12%	0.115	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	37.8	-171.8	-56.6	0	0	0	0	112.4	C153 Y250 D252	C153-C256 HydrophobicContact CB-CB 3.36Å; C153-C256 WeakPolarHBondContact CB-SG 3.45Å; C153-C256 WeakPolarHBondContact SG-CB 3.48Å; C153-C256 CovalentContact SG-SG 2.01Å; C153-C256 PolarHBondContact SG-SG 3.23Å; Y250-C256 VanDerWaalsContact CD1-C 3.41Å; Y250-C256 HydrophobicContact CD1-CB 4.06Å; Y250-C256 WeakPolarHBondContact CD1-O 3.37Å; Y250-C256 HydrophobicContact CE1-CB 3.86Å; Y250-C256 WeakPolarHBondContact CE1-O 3.06Å; Y250-C256 HydrophobicContact CE2-CB 4.41Å; Y250-C256 HydrophobicContact CG-CB 4.41Å; D252-C256 WeakPolarHBondContact O-CA 3.37Å; D252-C256 PolarHBondContact O-N 3.28Å
257	L	80.3	Confident	83.3	Confident	77 Å²	77	52.3 Å²	52.3	40%	0.403	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-96.2	128.2	178.5	-171.9	72.3	0	0	0	108.1	T194 T255 M259	T194-L257 HydrophobicContact CG2-CD1 4.09Å; T255-L257 PolarHBondContact O-N 2.84Å; T255-L257 WeakPolarHBondContact OG1-CB 3.13Å; L257-M259 HydrophobicContact CD2-SD 4.49Å
258	D	84.3	Confident	83.6	Confident	2 Å²	2	51 Å²	51	1%	0.011	25%	0.252	C	S	.	.			trans	-124.9	134.7	168.4	68	-51.6	0	0	0	109.3	K151 H191 T194 Y250 Y260	K151-D258 VanDerWaalsContact CE-CG 3.41Å; K151-D258 WeakPolarHBondContact CE-OD1 3.24Å; K151-D258 WeakPolarHBondContact CE-OD2 3.03Å; K151-D258 IonicContact NZ-OD1 3.85Å; K151-D258 PolarHBondContact NZ-OD1 3.13Å; K151-D258 IonicContact NZ-OD2 3.82Å; K151-D258 PolarHBondContact NZ-OD2 3.26Å; H191-D258 IonicContact CD2-OD2 2.8Å; H191-D258 IonicContact CE1-OD2 3.94Å; H191-D258 IonicContact NE2-OD2 3.22Å; H191-D258 PolarHBondContact NE2-OD2 3.46Å; T194-D258 PolarHBondContact OG1-O 2.98Å; T194-D258 PolarHBondContact OG1-OD1 3.22Å; Y250-D258 HydrophobicContact CD1-CB 4.36Å; D258-Y260 VanDerWaalsContact C-N 3.31Å
259	M	82.7	Confident	83.8	Confident	139 Å²	139	50.5 Å²	50.5	69%	0.685	25%	0.25	S	S	*	.			trans	-95.4	10.5	176.9	-64.5	-61.2	-64.7	0	0	112.2	D251 L257	D251-M259 PolarHBondContact OD2-N 3.19Å; L257-M259 HydrophobicContact CD2-SD 4.49Å
260	Y	88	Confident	84	Confident	37 Å²	37	48.3 Å²	48.3	15%	0.145	24%	0.241	C	C	.	.			trans	-74	128.2	-175.3	-172.5	-94.5	0	0	0	111.9	H191 M240 W248 D258 C262 Q479	H191-Y260 AromaticContact CE1-CD1 3.71Å; H191-Y260 PolarHBondContact CE1-O 3.49Å; H191-Y260 VanDerWaalsContact CE1-O 3.28Å; M240-Y260 HydrophobicContact SD-CE1 4.04Å; W248-Y260 AromaticContact CH2-CD1 3.42Å; W248-Y260 HydrophobicContact CH2-CD1 3.42Å; W248-Y260 VanDerWaalsContact CH2-CD1 3.42Å; W248-Y260 AromaticContact CH2-CE1 3.65Å; W248-Y260 HydrophobicContact CH2-CE1 3.65Å; W248-Y260 AromaticContact CH2-CG 3.89Å; W248-Y260 HydrophobicContact CH2-CG 3.89Å; W248-Y260 AromaticContact CZ2-CD1 3.56Å; W248-Y260 HydrophobicContact CZ2-CD1 3.56Å; W248-Y260 HydrophobicContact CZ2-CD2 4.37Å; W248-Y260 HydrophobicContact CZ2-CE1 4.24Å; W248-Y260 AromaticContact CZ2-CG 3.63Å; W248-Y260 HydrophobicContact CZ2-CG 3.63Å; D258-Y260 VanDerWaalsContact C-N 3.31Å; Y260-C262 HydrophobicContact CE1-CB 4.08Å; Y260-Q479 HydrophobicContact CD2-CB 4.44Å; Y260-Q479 HydrophobicContact CD2-CG 3.8Å; Y260-Q479 HydrophobicContact CE2-CG 4.04Å
261	D	89.7	Confident	84.4	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.037	24%	0.235	C	C	.	.			trans	-131.4	120.7	168.3	-175.6	-17.4	0	0	0	108	P193 R263 N264 Q452	P193-D261 HydrophobicContact CB-CB 4.36Å; P193-D261 HydrophobicContact CG-CB 4.28Å; D261-R263 PolarHBondContact O-N 3.07Å; D261-R263 VanDerWaalsContact O-N 3.12Å; D261-R263 WeakPolarHBondContact OD1-CB 3.09Å; D261-R263 WeakPolarHBondContact OD1-CG 3.41Å; D261-R263 IonicContact OD1-CZ 3.79Å; D261-R263 PolarHBondContact OD1-N 3.36Å; D261-R263 IonicContact OD1-NE 3.63Å; D261-R263 PolarHBondContact OD1-NE 2.85Å; D261-R263 IonicContact OD1-NH2 3.3Å; D261-R263 IonicContact OD2-CZ 3.06Å; D261-R263 IonicContact OD2-NE 3.31Å; D261-R263 PolarHBondContact OD2-NE 3.09Å; D261-R263 IonicContact OD2-NH2 2.85Å; D261-R263 PolarHBondContact OD2-NH2 3.23Å; D261-N264 PolarHBondContact O-N 3.07Å; D261-N264 VanDerWaalsContact O-N 3.08Å; D261-Q452 PolarHBondContact OD2-NE2 3.1Å
262	C	92.2	Very high	85	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22.7	-177.2	62.9	0	0	0	0	112.4	C234 G238 M240 Y260 N264 S265 W267 Y268	C234-C262 HydrophobicContact CB-CB 3.71Å; C234-C262 WeakPolarHBondContact CB-SG 3.24Å; C234-C262 WeakPolarHBondContact SG-CB 3.42Å; C234-C262 CovalentContact SG-SG 2.03Å; C234-C262 PolarHBondContact SG-SG 3.31Å; G238-C262 PolarHBondContact O-SG 3.43Å; M240-C262 HydrophobicContact CB-CB 4.06Å; M240-C262 HydrophobicContact CG-CB 4.36Å; M240-C262 HydrophobicContact SD-CB 4.06Å; Y260-C262 HydrophobicContact CE1-CB 4.08Å; C262-N264 VanDerWaalsContact C-N 3.27Å; C262-N264 PolarHBondContact O-N 2.79Å; C262-S265 WeakPolarHBondContact O-CB 3.4Å; C262-S265 PolarHBondContact O-N 2.83Å; C262-S265 PolarHBondContact O-OG 3.14Å; C262-W267 HydrophobicContact CB-CZ2 4.21Å; C262-Y268 VanDerWaalsContact O-CB 3.26Å; C262-Y268 WeakPolarHBondContact O-CB 3.35Å
263	R	91.3	Very high	85.5	Confident	32 Å²	32	38.7 Å²	38.7	12%	0.121	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-71.5	-21.9	178.5	-61.3	173.3	-68	174.1	5.2	113.4	D261 S265 Y268 I269 Q452	D261-R263 PolarHBondContact O-N 3.07Å; D261-R263 VanDerWaalsContact O-N 3.12Å; D261-R263 WeakPolarHBondContact OD1-CB 3.09Å; D261-R263 WeakPolarHBondContact OD1-CG 3.41Å; D261-R263 IonicContact OD1-CZ 3.79Å; D261-R263 PolarHBondContact OD1-N 3.36Å; D261-R263 IonicContact OD1-NE 3.63Å; D261-R263 PolarHBondContact OD1-NE 2.85Å; D261-R263 IonicContact OD1-NH2 3.3Å; D261-R263 IonicContact OD2-CZ 3.06Å; D261-R263 IonicContact OD2-NE 3.31Å; D261-R263 PolarHBondContact OD2-NE 3.09Å; D261-R263 IonicContact OD2-NH2 2.85Å; D261-R263 PolarHBondContact OD2-NH2 3.23Å; R263-S265 VanDerWaalsContact C-N 3.31Å; R263-Y268 HydrophobicContact CB-CD1 4.22Å; R263-Y268 HydrophobicContact CB-CE1 3.99Å; R263-Y268 HydrophobicContact CG-CE1 4.11Å; R263-Y268 HydrophobicContact CG-CE2 4.25Å; R263-Y268 VanDerWaalsContact O-CD1 3.3Å; R263-Y268 WeakPolarHBondContact O-CD1 3.18Å; R263-I269 WeakPolarHBondContact O-CG1 3.17Å; R263-Q452 VanDerWaalsContact NH1-OE1 3.08Å
264	N	89.1	Confident	86	Confident	40 Å²	40	32.4 Å²	32.4	21%	0.214	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-88.1	-2.8	176.3	-69	-4.6	0	0	0	112.4	D261 C262 Q452	D261-N264 PolarHBondContact O-N 3.07Å; D261-N264 VanDerWaalsContact O-N 3.08Å; C262-N264 VanDerWaalsContact C-N 3.27Å; C262-N264 PolarHBondContact O-N 2.79Å; N264-Q452 PolarHBondContact OD1-NE2 2.82Å
265	S	89.3	Confident	86.5	Confident	17 Å²	17	24.8 Å²	24.8	12%	0.119	13%	0.129	C	C	.	.	S	Bend	trans	-75.7	146.1	179.6	71.4	0	0	0	0	112.1	C262 R263 W267 Y268 I269	C262-S265 WeakPolarHBondContact O-CB 3.4Å; C262-S265 PolarHBondContact O-N 2.83Å; C262-S265 PolarHBondContact O-OG 3.14Å; R263-S265 VanDerWaalsContact C-N 3.31Å; S265-W267 VanDerWaalsContact C-N 3.29Å; S265-W267 PolarHBondContact O-N 2.83Å; S265-W267 VanDerWaalsContact OG-CD1 3.23Å; S265-W267 PolarHBondContact OG-NE1 3.05Å; S265-Y268 PolarHBondContact O-N 3.19Å; S265-Y268 VanDerWaalsContact O-N 3.13Å; S265-Y268 WeakPolarHBondContact OG-CB 3.34Å; S265-Y268 PolarHBondContact OG-N 3.35Å; S265-I269 WeakPolarHBondContact O-CG1 3.12Å; S265-I269 PolarHBondContact O-N 3.34Å
266	E	88.3	Confident	87.1	Confident	44 Å²	44	21.4 Å²	21.4	21%	0.206	11%	0.108	C	C	.	.	H	α-helix	trans	-56.3	-43	179.2	-172.6	-178	148.6	0	0	111.8	Y268 I269 D270 T308 T473	E266-Y268 VanDerWaalsContact C-N 3.29Å; E266-Y268 PolarHBondContact O-N 3.18Å; E266-I269 PolarHBondContact O-N 3.35Å; E266-D270 WeakPolarHBondContact O-CB 3.34Å; E266-D270 PolarHBondContact O-N 2.98Å; E266-T308 HydrophobicContact CG-CG2 3.94Å; E266-T473 HydrophobicContact CG-CG2 4.33Å
267	W	89.9	Confident	87.9	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-64.4	-32.2	-179.6	66.3	-98.3	0	0	0	113	Y232 C234 M240 C262 S265 A271 T473 Y476 T487 A489 V501	Y232-W267 HydrophobicContact CD2-CE3 4.44Å; Y232-W267 AromaticContact CD2-CH2 3.42Å; Y232-W267 HydrophobicContact CD2-CH2 3.42Å; Y232-W267 VanDerWaalsContact CD2-CH2 3.42Å; Y232-W267 AromaticContact CD2-CZ2 3.63Å; Y232-W267 HydrophobicContact CD2-CZ2 3.63Å; Y232-W267 AromaticContact CD2-CZ3 3.87Å; Y232-W267 HydrophobicContact CD2-CZ3 3.87Å; Y232-W267 AromaticContact CE2-CD2 3.72Å; Y232-W267 HydrophobicContact CE2-CD2 3.72Å; Y232-W267 AromaticContact CE2-CE2 3.52Å; Y232-W267 AromaticContact CE2-CE3 3.82Å; Y232-W267 HydrophobicContact CE2-CE3 3.82Å; Y232-W267 HydrophobicContact CE2-CG 4.46Å; Y232-W267 AromaticContact CE2-CH2 3.52Å; Y232-W267 HydrophobicContact CE2-CH2 3.52Å; Y232-W267 AromaticContact CE2-CZ2 3.46Å; Y232-W267 HydrophobicContact CE2-CZ2 3.46Å; Y232-W267 VanDerWaalsContact CE2-CZ2 3.46Å; Y232-W267 AromaticContact CE2-CZ3 3.71Å; Y232-W267 HydrophobicContact CE2-CZ3 3.71Å; C234-W267 HydrophobicContact CB-CH2 3.31Å; C234-W267 HydrophobicContact CB-CZ2 4.02Å; C234-W267 HydrophobicContact CB-CZ3 4.13Å; M240-W267 HydrophobicContact CE-CZ2 4.38Å; C262-W267 HydrophobicContact CB-CZ2 4.21Å; S265-W267 VanDerWaalsContact C-N 3.29Å; S265-W267 PolarHBondContact O-N 2.83Å; S265-W267 VanDerWaalsContact OG-CD1 3.23Å; S265-W267 PolarHBondContact OG-NE1 3.05Å; W267-A271 VanDerWaalsContact O-CB 3.28Å; W267-A271 WeakPolarHBondContact O-CB 3.25Å; W267-T473 HydrophobicContact CB-CG2 3.43Å; W267-T473 VanDerWaalsContact CB-CG2 3.43Å; W267-Y476 AromaticContact CD1-CZ 3.94Å; W267-T487 HydrophobicContact CB-CG2 3.87Å; W267-T487 HydrophobicContact CG-CG2 4.15Å; W267-A489 HydrophobicContact CB-CB 4.29Å; W267-A489 HydrophobicContact CE3-CB 4.22Å; W267-A489 WeakPolarHBondContact O-CB 3.42Å; W267-V501 HydrophobicContact CE3-CB 4.23Å; W267-V501 HydrophobicContact CE3-CG1 3.68Å; W267-V501 HydrophobicContact CZ3-CB 3.72Å; W267-V501 HydrophobicContact CZ3-CG1 3.58Å
268	Y	92.6	Very high	88.5	Confident	4 Å²	4	17 Å²	17	2%	0.016	8%	0.084	C	C	.	.	H	α-helix	trans	-74.4	-48.8	176.1	-179	-85.4	0	0	0	110.7	C234 Q236 C262 R263 S265 E266 A272 I455 F498 V501	C234-Y268 HydrophobicContact CB-CD2 3.89Å; C234-Y268 HydrophobicContact CB-CE2 4.2Å; C234-Y268 WeakPolarHBondContact SG-CD2 3.27Å; C234-Y268 VanDerWaalsContact SG-CE2 3.56Å; Q236-Y268 WeakPolarHBondContact CA-OH 3.48Å; C262-Y268 VanDerWaalsContact O-CB 3.26Å; C262-Y268 WeakPolarHBondContact O-CB 3.35Å; R263-Y268 HydrophobicContact CB-CD1 4.22Å; R263-Y268 HydrophobicContact CB-CE1 3.99Å; R263-Y268 HydrophobicContact CG-CE1 4.11Å; R263-Y268 HydrophobicContact CG-CE2 4.25Å; R263-Y268 VanDerWaalsContact O-CD1 3.3Å; R263-Y268 WeakPolarHBondContact O-CD1 3.18Å; S265-Y268 PolarHBondContact O-N 3.19Å; S265-Y268 VanDerWaalsContact O-N 3.13Å; S265-Y268 WeakPolarHBondContact OG-CB 3.34Å; S265-Y268 PolarHBondContact OG-N 3.35Å; E266-Y268 VanDerWaalsContact C-N 3.29Å; E266-Y268 PolarHBondContact O-N 3.18Å; Y268-A272 HydrophobicContact CE1-CB 4.45Å; Y268-A272 WeakPolarHBondContact O-CB 3.26Å; Y268-A272 PolarHBondContact O-N 3.35Å; Y268-I455 HydrophobicContact CE1-CG2 4.1Å; Y268-F498 HydrophobicContact CE2-CZ 4.33Å; Y268-F498 WeakPolarHBondContact OH-CE1 3.5Å; Y268-V501 HydrophobicContact CD2-CB 3.75Å; Y268-V501 HydrophobicContact CD2-CG2 3.53Å; Y268-V501 HydrophobicContact CE2-CB 4.22Å; Y268-V501 HydrophobicContact CE2-CG2 3.77Å; Y268-V501 HydrophobicContact CG-CB 4.48Å; Y268-V501 HydrophobicContact CG-CG2 4.03Å
269	I	91.1	Very high	89	Confident	2 Å²	2	17 Å²	17	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-65.8	-49.6	-175.1	-66	167.3	0	0	0	111.1	R263 S265 E266 A271 A272 T273 T306 T308 I455	R263-I269 WeakPolarHBondContact O-CG1 3.17Å; S265-I269 WeakPolarHBondContact O-CG1 3.12Å; S265-I269 PolarHBondContact O-N 3.34Å; E266-I269 PolarHBondContact O-N 3.35Å; I269-A271 VanDerWaalsContact C-N 3.28Å; I269-A271 PolarHBondContact O-N 2.82Å; I269-A272 PolarHBondContact O-N 2.93Å; I269-A272 VanDerWaalsContact O-N 3.1Å; I269-T273 PolarHBondContact O-N 3.44Å; I269-T273 PolarHBondContact O-OG1 3.3Å; I269-T306 WeakPolarHBondContact CG2-O 3.31Å; I269-T308 HydrophobicContact CB-CG2 4.21Å; I269-T308 HydrophobicContact CG2-CG2 3.91Å; I269-I455 HydrophobicContact CG1-CD1 4.36Å
270	D	87.3	Confident	89.7	Confident	5 Å²	5	10.4 Å²	10.4	3%	0.027	5%	0.051	C	C	.	.	H	α-helix	trans	-64	-35.1	-177.1	-87.6	1.1	0	0	0	111.8	E266 H274 T308 N310 V471	E266-D270 WeakPolarHBondContact O-CB 3.34Å; E266-D270 PolarHBondContact O-N 2.98Å; D270-H274 PolarHBondContact O-N 3.32Å; D270-T308 VanDerWaalsContact OD1-CB 3.27Å; D270-T308 WeakPolarHBondContact OD1-CB 3.38Å; D270-T308 WeakPolarHBondContact OD1-CG2 3.33Å; D270-T308 PolarHBondContact OD1-OG1 3.02Å; D270-N310 PolarHBondContact OD2-ND2 2.9Å; D270-N310 VanDerWaalsContact OD2-ND2 3.08Å; D270-V471 HydrophobicContact CB-CG1 3.92Å
271	A	88.4	Confident	90.1	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.008	4%	0.044	C	C	.	.	H	α-helix	trans	-74.8	-29.8	174.5	0	0	0	0	0	113.3	W267 I269 A489 V501	W267-A271 VanDerWaalsContact O-CB 3.28Å; W267-A271 WeakPolarHBondContact O-CB 3.25Å; I269-A271 VanDerWaalsContact C-N 3.28Å; I269-A271 PolarHBondContact O-N 2.82Å; A271-A489 HydrophobicContact CB-CB 3.78Å; A271-V501 HydrophobicContact CB-CG1 3.69Å; A271-V501 HydrophobicContact CB-CG2 4.29Å
272	A	88.4	Confident	90.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-85.4	-41.8	-176.7	0	0	0	0	0	113.7	Y268 I269 I455 S459 F498 V501	Y268-A272 HydrophobicContact CE1-CB 4.45Å; Y268-A272 WeakPolarHBondContact O-CB 3.26Å; Y268-A272 PolarHBondContact O-N 3.35Å; I269-A272 PolarHBondContact O-N 2.93Å; I269-A272 VanDerWaalsContact O-N 3.1Å; A272-I455 HydrophobicContact CB-CG2 3.79Å; A272-S459 VanDerWaalsContact O-CA 3.28Å; A272-S459 WeakPolarHBondContact O-CA 3.49Å; A272-S459 VanDerWaalsContact O-CB 3.27Å; A272-S459 WeakPolarHBondContact O-CB 3.47Å; A272-F498 HydrophobicContact CB-CE2 4.08Å; A272-F498 HydrophobicContact CB-CZ 3.85Å; A272-V501 HydrophobicContact CB-CG2 4.44Å
273	T	85.5	Confident	90.6	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-111.2	-16.7	-172	71.7	0	0	0	0	115	I269 K276 H383 I455 M458	I269-T273 PolarHBondContact O-N 3.44Å; I269-T273 PolarHBondContact O-OG1 3.3Å; T273-K276 PolarHBondContact OG1-NZ 3.31Å; T273-H383 PolarHBondContact O-ND1 3.29Å; T273-I455 HydrophobicContact CG2-CB 4.21Å; T273-I455 HydrophobicContact CG2-CG1 4.26Å; T273-I455 HydrophobicContact CG2-CG2 3.77Å; T273-M458 HydrophobicContact CG2-CB 3.67Å
274	H	82.2	Confident	90.8	Very high	13 Å²	13	6.9 Å²	6.9	6%	0.06	4%	0.037	C	C	.	.			trans	54.8	179.6	-160.4	-59.6	-70.9	0	0	0	113	D270 Y1131	D270-H274 PolarHBondContact O-N 3.32Å; H274-Y1131 AromaticContact CD2-CD2 3.85Å; H274-Y1131 AromaticContact CE1-CE2 3.88Å; H274-Y1131 AromaticContact NE2-CD2 3.22Å; H274-Y1131 WeakPolarHBondContact NE2-CD2 3.5Å; H274-Y1131 AromaticContact NE2-CE2 3.43Å; H274-Y1131 WeakPolarHBondContact NE2-CE2 3.35Å
275	A	85	Confident	91	Very high	10 Å²	10	5.3 Å²	5.3	8%	0.083	3%	0.03	C	C	.	.	S	Bend	trans	-64.7	139	-179.8	0	0	0	0	0	111.6	N310 D311 C382 H383	A275-N310 HydrophobicContact CB-CB 4.14Å; A275-D311 WeakPolarHBondContact CA-OD1 3.32Å; A275-C382 WeakPolarHBondContact O-CA 3.26Å; A275-C382 WeakPolarHBondContact O-CB 3.44Å; A275-C382 PolarHBondContact O-N 3.4Å; A275-H383 PolarHBondContact O-N 3.25Å
276	K	88.5	Confident	91.1	Very high	1 Å²	1	6.4 Å²	6.4	0%	0.004	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.9	-172.3	53.7	-169.3	-178.4	-73.1	0	113.9	T273 I278 T306 D311 F312 H383 Y454 M458	T273-K276 PolarHBondContact OG1-NZ 3.31Å; K276-I278 HydrophobicContact CD-CD1 3.6Å; K276-I278 HydrophobicContact CD-CG1 4.42Å; K276-I278 HydrophobicContact CG-CD1 3.87Å; K276-I278 HydrophobicContact CG-CG1 4.31Å; K276-T306 PolarHBondContact NZ-O 3.21Å; K276-D311 WeakPolarHBondContact CE-OD2 3.22Å; K276-D311 HydrophobicContact CG-CB 4.29Å; K276-D311 VanDerWaalsContact CG-OD1 3.27Å; K276-D311 WeakPolarHBondContact CG-OD1 3.26Å; K276-D311 PolarHBondContact N-OD1 3.2Å; K276-D311 IonicContact NZ-OD1 3.49Å; K276-D311 IonicContact NZ-OD2 2.95Å; K276-D311 PolarHBondContact NZ-OD2 2.77Å; K276-D311 WeakPolarHBondContact O-CA 3.35Å; K276-F312 PolarHBondContact O-N 2.81Å; K276-H383 CarbonylContact C-O 3.56Å; K276-H383 WeakPolarHBondContact CA-O 3.27Å; K276-Y454 HydrophobicContact CD-CE2 4.38Å; K276-Y454 WeakPolarHBondContact CE-OH 3.5Å; K276-M458 HydrophobicContact CB-CE 4.33Å; K276-M458 HydrophobicContact CD-CE 4.46Å
277	N	90.9	Very high	91.1	Very high	1 Å²	1	7 Å²	7	1%	0.005	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.8	174.1	-63.2	-33.8	0	0	0	108.6	F312 L333 N379 G381 H383 S384 A385	N277-F312 CarbonylContact C-O 3.43Å; N277-F312 VanDerWaalsContact CA-O 3.3Å; N277-F312 WeakPolarHBondContact CA-O 3.42Å; N277-L333 HydrophobicContact CB-CD1 3.63Å; N277-N379 PolarHBondContact OD1-O 2.76Å; N277-G381 PolarHBondContact ND2-N 3.36Å; N277-G381 PolarHBondContact ND2-O 3.43Å; N277-G381 VanDerWaalsContact ND2-O 3.14Å; N277-G381 VanDerWaalsContact OD1-CA 3.24Å; N277-G381 WeakPolarHBondContact OD1-CA 3.02Å; N277-G381 PolarHBondContact OD1-N 3.16Å; N277-H383 PolarHBondContact N-O 2.65Å; N277-S384 CarbonylContact O-C 3.52Å; N277-S384 WeakPolarHBondContact O-CA 3.33Å; N277-A385 PolarHBondContact O-N 2.88Å
278	I	93.5	Very high	91.2	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	127.5	-175	-67.6	169.5	0	0	0	111.4	K276 I280 L307 F312 F313 N314 A385 M387	K276-I278 HydrophobicContact CD-CD1 3.6Å; K276-I278 HydrophobicContact CD-CG1 4.42Å; K276-I278 HydrophobicContact CG-CD1 3.87Å; K276-I278 HydrophobicContact CG-CG1 4.31Å; I278-I280 HydrophobicContact CG2-CG1 3.77Å; I278-L307 HydrophobicContact CD1-CD2 3.49Å; I278-L307 VanDerWaalsContact CD1-CD2 3.49Å; I278-F312 PolarHBondContact N-O 2.86Å; I278-F313 HydrophobicContact CB-CB 4.36Å; I278-F313 CarbonylContact O-C 3.57Å; I278-F313 WeakPolarHBondContact O-CA 3.46Å; I278-N314 PolarHBondContact O-N 2.91Å; I278-N314 VanDerWaalsContact O-N 3.08Å; I278-A385 WeakPolarHBondContact CA-O 3.34Å; I278-A385 HydrophobicContact CG1-CB 4.33Å; I278-M387 HydrophobicContact CD1-CE 3.69Å; I278-M387 HydrophobicContact CG1-CE 4.23Å; I278-M387 HydrophobicContact CG2-CE 4.24Å; I278-M387 HydrophobicContact CG2-CG 4.07Å; I278-M387 HydrophobicContact CG2-SD 3.94Å
279	V	95.7	Very high	91.1	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.5	162.9	177	0	0	0	0	108.9	L281 L333 A366 V369 V370 A385 I386 M387	V279-L281 HydrophobicContact CG1-CD2 4.41Å; V279-L333 HydrophobicContact CG2-CD2 3.63Å; V279-A366 HydrophobicContact CG1-CB 3.85Å; V279-V369 HydrophobicContact CG2-CG1 4.2Å; V279-V370 HydrophobicContact CB-CG2 4.22Å; V279-V370 HydrophobicContact CG2-CG2 3.5Å; V279-V370 VanDerWaalsContact CG2-CG2 3.5Å; V279-A385 PolarHBondContact N-O 3.13Å; V279-I386 WeakPolarHBondContact O-CA 3.44Å; V279-M387 PolarHBondContact O-N 2.9Å
280	I	97.1	Very high	91.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	116.9	176	-54.2	178.7	0	0	0	108.1	I278 I300 I303 N314 I315 L316 M387 I389	I278-I280 HydrophobicContact CG2-CG1 3.77Å; I280-I300 HydrophobicContact CD1-CG2 4.47Å; I280-I300 HydrophobicContact CG2-CD1 4.34Å; I280-I300 HydrophobicContact CG2-CG1 4.12Å; I280-I303 HydrophobicContact CD1-CB 4.44Å; I280-I303 HydrophobicContact CD1-CG2 3.76Å; I280-N314 PolarHBondContact N-O 3.17Å; I280-I315 HydrophobicContact CB-CG1 4.29Å; I280-I315 HydrophobicContact CB-CG2 4.4Å; I280-I315 HydrophobicContact CD1-CG1 4.32Å; I280-I315 HydrophobicContact CG2-CG2 4.49Å; I280-I315 WeakPolarHBondContact O-CA 3.35Å; I280-L316 PolarHBondContact O-N 2.72Å; I280-M387 CarbonylContact C-O 3.1Å; I280-M387 WeakPolarHBondContact CA-O 3.45Å; I280-I389 HydrophobicContact CG2-CD1 3.84Å
281	L	97	Very high	91.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.3	173	-66.7	176.7	0	0	0	108.8	V279 L316 F318 A362 L363 A366 I386 M387 L388 I389	V279-L281 HydrophobicContact CG1-CD2 4.41Å; L281-L316 WeakPolarHBondContact CA-O 3.14Å; L281-L316 HydrophobicContact CD2-CB 3.85Å; L281-L316 HydrophobicContact CD2-CD2 3.4Å; L281-L316 VanDerWaalsContact CD2-CD2 3.4Å; L281-L316 HydrophobicContact CD2-CG 4.14Å; L281-F318 HydrophobicContact CB-CD1 4.47Å; L281-F318 HydrophobicContact CB-CE1 4.01Å; L281-A362 HydrophobicContact CD2-CB 4.35Å; L281-L363 HydrophobicContact CD1-CD2 3.88Å; L281-A366 HydrophobicContact CD1-CB 4.2Å; L281-A366 HydrophobicContact CD2-CB 3.78Å; L281-A366 HydrophobicContact CG-CB 4.24Å; L281-I386 HydrophobicContact CD1-CG2 3.62Å; L281-I386 HydrophobicContact CG-CG2 4.02Å; L281-M387 PolarHBondContact N-O 3.03Å; L281-L388 HydrophobicContact CB-CD1 3.95Å; L281-L388 HydrophobicContact CD1-CD1 4.49Å; L281-I389 PolarHBondContact O-N 3.21Å
282	L	96.5	Very high	91.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117	177.9	175.2	62	0	0	0	110.2	V284 Y293 A296 I300 L316 A317 F318 L348 I389	L282-V284 HydrophobicContact CD2-CG1 3.93Å; L282-V284 HydrophobicContact CG-CG1 3.86Å; L282-V284 PolarHBondContact O-N 2.86Å; L282-Y293 HydrophobicContact CD2-CE2 4.14Å; L282-A296 HydrophobicContact CD1-CB 3.81Å; L282-I300 HydrophobicContact CB-CD1 4.07Å; L282-I300 HydrophobicContact CD1-CD1 3.86Å; L282-I300 HydrophobicContact CD2-CD1 3.7Å; L282-I300 HydrophobicContact CG-CD1 4.06Å; L282-L316 PolarHBondContact N-O 3.36Å; L282-A317 CarbonylContact O-C 3.55Å; L282-A317 WeakPolarHBondContact O-CA 3.27Å; L282-F318 VanDerWaalsContact C-CE1 3.43Å; L282-F318 WeakPolarHBondContact O-CD1 3.47Å; L282-F318 PolarHBondContact O-N 3.42Å; L282-L348 HydrophobicContact CD2-CD2 4.28Å; L282-I389 HydrophobicContact CD1-CB 4.45Å; L282-I389 HydrophobicContact CD1-CG2 4.28Å
283	D	94.9	Very high	91.6	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.2	168.7	-166.8	-23.7	0	0	0	109.9	S285 M288 F318 Y359 I389 T390	D283-S285 WeakPolarHBondContact OD1-CB 3.4Å; D283-S285 PolarHBondContact OD1-N 3.02Å; D283-S285 PolarHBondContact OD1-OG 3.13Å; D283-M288 HydrophobicContact CB-CG 4.07Å; D283-F318 HydrophobicContact CB-CE1 4.25Å; D283-F318 HydrophobicContact CB-CE2 4.41Å; D283-F318 HydrophobicContact CB-CZ 3.87Å; D283-Y359 PolarHBondContact OD2-OH 3.05Å; D283-I389 WeakPolarHBondContact CB-O 3.31Å; D283-I389 PolarHBondContact N-O 2.95Å; D283-T390 PolarHBondContact OD2-OG1 3.24Å
284	V	95.1	Very high	92	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	18%	0.177	C	C	.	.			trans	-121.9	25.3	175.1	-62.2	0	0	0	0	111.6	L282 Y293 A317 F318 I351 S353 E354	L282-V284 HydrophobicContact CD2-CG1 3.93Å; L282-V284 HydrophobicContact CG-CG1 3.86Å; L282-V284 PolarHBondContact O-N 2.86Å; V284-Y293 HydrophobicContact CG1-CE2 4.28Å; V284-A317 HydrophobicContact CG1-CB 4.03Å; V284-A317 HydrophobicContact CG2-CB 4.18Å; V284-F318 VanDerWaalsContact CG2-C 3.48Å; V284-F318 VanDerWaalsContact CG2-O 3.3Å; V284-F318 WeakPolarHBondContact CG2-O 3.47Å; V284-F318 PolarHBondContact N-O 3.47Å; V284-I351 HydrophobicContact CG1-CG2 3.96Å; V284-S353 CarbonylContact O-C 2.81Å; V284-S353 WeakPolarHBondContact O-CA 3.32Å; V284-E354 PolarHBondContact O-N 3.36Å
285	S	93.7	Very high	92.5	Very high	7 Å²	7	31.3 Å²	31.3	5%	0.049	18%	0.178	C	C	.	.	S	Bend	trans	-65.7	165.8	172.3	67.3	0	0	0	0	112	D283 S287 M288 S353 G355	D283-S285 WeakPolarHBondContact OD1-CB 3.4Å; D283-S285 PolarHBondContact OD1-N 3.02Å; D283-S285 PolarHBondContact OD1-OG 3.13Å; S285-S287 PolarHBondContact O-N 2.95Å; S285-S287 PolarHBondContact OG-OG 3.16Å; S285-S287 VanDerWaalsContact OG-OG 3.07Å; S285-M288 PolarHBondContact O-N 2.9Å; S285-S353 WeakPolarHBondContact O-CB 3.36Å; S285-G355 WeakPolarHBondContact CA-O 3.19Å; S285-G355 WeakPolarHBondContact CB-O 3.28Å
286	G	91.4	Very high	93	Very high	39 Å²	39	30.8 Å²	30.8	40%	0.402	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-59.7	-20.5	-176.9	0	0	0	0	0	114.8	M288 L289 G355	G286-M288 VanDerWaalsContact C-N 3.31Å; G286-L289 WeakPolarHBondContact O-CB 3.27Å; G286-L289 PolarHBondContact O-N 3.27Å; G286-G355 PolarHBondContact N-O 3.49Å
287	S	88.5	Confident	93.3	Very high	57 Å²	57	32.2 Å²	32.2	40%	0.399	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-74.2	-21.4	178	61.8	0	0	0	0	113.3	S285 L289 R292 D391	S285-S287 PolarHBondContact O-N 2.95Å; S285-S287 PolarHBondContact OG-OG 3.16Å; S285-S287 VanDerWaalsContact OG-OG 3.07Å; S287-L289 VanDerWaalsContact C-N 3.3Å; S287-L289 PolarHBondContact O-N 3.22Å; S287-R292 WeakPolarHBondContact O-CD 3.02Å; S287-D391 WeakPolarHBondContact CB-OD2 3.31Å; S287-D391 PolarHBondContact OG-OD1 3.27Å; S287-D391 PolarHBondContact OG-OD2 3.11Å
288	M	91.9	Very high	93.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-81.1	-8.2	177.3	-68.3	-63.4	-69.1	0	0	113.3	D283 S285 G286 G290 R292 Y293 A296 D391 I417	D283-M288 HydrophobicContact CB-CG 4.07Å; S285-M288 PolarHBondContact O-N 2.9Å; G286-M288 VanDerWaalsContact C-N 3.31Å; M288-G290 PolarHBondContact O-N 3.47Å; M288-R292 HydrophobicContact CE-CB 4.2Å; M288-R292 HydrophobicContact SD-CB 4.13Å; M288-Y293 WeakPolarHBondContact O-CA 3.3Å; M288-Y293 WeakPolarHBondContact O-CB 3.2Å; M288-Y293 PolarHBondContact O-N 3.11Å; M288-A296 HydrophobicContact CE-CB 3.78Å; M288-D391 HydrophobicContact SD-CB 3.58Å; M288-D391 VanDerWaalsContact SD-CB 3.58Å; M288-I417 HydrophobicContact CE-CB 4.47Å; M288-I417 HydrophobicContact CE-CD1 4.07Å
289	L	91.2	Very high	93.5	Very high	123 Å²	123	35.3 Å²	35.3	64%	0.644	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	134	-175.8	-173.2	70	0	0	0	112.6	G286 S287	G286-L289 WeakPolarHBondContact O-CB 3.27Å; G286-L289 PolarHBondContact O-N 3.27Å; S287-L289 VanDerWaalsContact C-N 3.3Å; S287-L289 PolarHBondContact O-N 3.22Å
290	G	89.9	Confident	93.5	Very high	48 Å²	48	35.2 Å²	35.2	50%	0.495	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-131.2	175.9	0	0	0	0	0	113.2	M288 R292 Y293 E294	M288-G290 PolarHBondContact O-N 3.47Å; G290-R292 VanDerWaalsContact C-N 3.3Å; G290-R292 PolarHBondContact O-N 3.46Å; G290-Y293 PolarHBondContact O-N 3.35Å; G290-E294 PolarHBondContact O-N 3.26Å
291	Q	90.5	Very high	93.4	Very high	171 Å²	171	36.5 Å²	36.5	80%	0.799	20%	0.2	S	C	*	.	H	α-helix	trans	-62.1	-34.7	-174.2	-71.5	-178.9	-19.8	0	0	113.2	Y293 E294 I295	Q291-Y293 VanDerWaalsContact C-N 3.35Å; Q291-Y293 PolarHBondContact O-N 3.2Å; Q291-E294 PolarHBondContact O-N 3.45Å; Q291-I295 WeakPolarHBondContact O-CG1 3.42Å; Q291-I295 PolarHBondContact O-N 3.11Å
292	R	91.5	Very high	93.1	Very high	70 Å²	70	37.1 Å²	37.1	26%	0.264	20%	0.203	S	C	.	.	H	α-helix	trans	-61	-44.2	178.8	-68.6	178.8	178.9	-172.4	-1.9	111.2	S287 M288 G290 I295 A296 D391 I417	S287-R292 WeakPolarHBondContact O-CD 3.02Å; M288-R292 HydrophobicContact CE-CB 4.2Å; M288-R292 HydrophobicContact SD-CB 4.13Å; G290-R292 VanDerWaalsContact C-N 3.3Å; G290-R292 PolarHBondContact O-N 3.46Å; R292-I295 PolarHBondContact O-N 3.23Å; R292-A296 WeakPolarHBondContact O-CB 3.32Å; R292-A296 PolarHBondContact O-N 3.47Å; R292-D391 IonicContact CZ-OD2 3.01Å; R292-D391 IonicContact NH1-OD2 3.22Å; R292-D391 PolarHBondContact NH1-OD2 3.4Å; R292-I417 HydrophobicContact CB-CG2 4.01Å; R292-I417 HydrophobicContact CG-CG2 4.23Å
293	Y	93.6	Very high	93	Very high	22 Å²	22	37.1 Å²	37.1	9%	0.086	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-41	174.9	-175.3	-100.7	0	0	0	112.4	L282 V284 M288 G290 Q291 I295 A296 K297 L348 I351 S353	L282-Y293 HydrophobicContact CD2-CE2 4.14Å; V284-Y293 HydrophobicContact CG1-CE2 4.28Å; M288-Y293 WeakPolarHBondContact O-CA 3.3Å; M288-Y293 WeakPolarHBondContact O-CB 3.2Å; M288-Y293 PolarHBondContact O-N 3.11Å; G290-Y293 PolarHBondContact O-N 3.35Å; Q291-Y293 VanDerWaalsContact C-N 3.35Å; Q291-Y293 PolarHBondContact O-N 3.2Å; Y293-I295 PolarHBondContact O-N 2.87Å; Y293-A296 WeakPolarHBondContact O-CB 3.3Å; Y293-A296 PolarHBondContact O-N 2.97Å; Y293-K297 WeakPolarHBondContact O-CB 3.49Å; Y293-K297 PolarHBondContact O-N 3.03Å; Y293-L348 PolarHBondContact OH-O 3.09Å; Y293-I351 HydrophobicContact CE2-CG2 4.37Å; Y293-I351 WeakPolarHBondContact OH-CB 3.24Å; Y293-S353 WeakPolarHBondContact CD2-OG 3.5Å
294	E	92.7	Very high	93	Very high	87 Å²	87	37.1 Å²	37.1	41%	0.407	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-40.5	178.5	-165.2	61	-151.2	0	0	111.8	G290 Q291 A296 K297 Q298	G290-E294 PolarHBondContact O-N 3.26Å; Q291-E294 PolarHBondContact O-N 3.45Å; E294-A296 VanDerWaalsContact C-N 3.34Å; E294-K297 PolarHBondContact O-N 3.31Å; E294-K297 IonicContact OE1-NZ 2.89Å; E294-Q298 PolarHBondContact O-N 3.08Å
295	I	94	Very high	92.7	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.082	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-41.9	172.7	-64.5	165.6	0	0	0	110.6	Q291 R292 Y293 Q298 T299 I417 I441 L444 V447	Q291-I295 WeakPolarHBondContact O-CG1 3.42Å; Q291-I295 PolarHBondContact O-N 3.11Å; R292-I295 PolarHBondContact O-N 3.23Å; Y293-I295 PolarHBondContact O-N 2.87Å; I295-Q298 PolarHBondContact O-N 2.82Å; I295-T299 WeakPolarHBondContact O-CB 3.33Å; I295-T299 PolarHBondContact O-N 3.32Å; I295-T299 PolarHBondContact O-OG1 3.27Å; I295-I417 HydrophobicContact CB-CG2 4.01Å; I295-I417 HydrophobicContact CD1-CG2 4.46Å; I295-I417 HydrophobicContact CG2-CD1 4.34Å; I295-I417 HydrophobicContact CG2-CG1 4.43Å; I295-I417 HydrophobicContact CG2-CG2 3.93Å; I295-I441 HydrophobicContact CG2-CG2 3.56Å; I295-L444 HydrophobicContact CB-CD2 4.48Å; I295-L444 HydrophobicContact CG1-CD2 4.02Å; I295-L444 HydrophobicContact CG1-CG 4.05Å; I295-V447 HydrophobicContact CG2-CG2 4.3Å
296	A	94.8	Very high	92.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-45.7	177.8	0	0	0	0	0	111.7	L282 M288 R292 Y293 E294 T299 I300 I389 I417	L282-A296 HydrophobicContact CD1-CB 3.81Å; M288-A296 HydrophobicContact CE-CB 3.78Å; R292-A296 WeakPolarHBondContact O-CB 3.32Å; R292-A296 PolarHBondContact O-N 3.47Å; Y293-A296 WeakPolarHBondContact O-CB 3.3Å; Y293-A296 PolarHBondContact O-N 2.97Å; E294-A296 VanDerWaalsContact C-N 3.34Å; A296-T299 WeakPolarHBondContact O-CB 3.34Å; A296-T299 PolarHBondContact O-N 2.9Å; A296-I300 WeakPolarHBondContact O-CG1 3.47Å; A296-I300 PolarHBondContact O-N 3.17Å; A296-I389 HydrophobicContact CB-CG2 3.83Å; A296-I417 HydrophobicContact CB-CD1 3.36Å
297	K	94.8	Very high	92.5	Very high	30 Å²	30	39.6 Å²	39.6	13%	0.13	20%	0.204	C	C	.	.	H	α-helix	trans	-58.3	-51.4	175.4	178	-171.3	163.2	-166.7	0	110.8	Y293 E294 T299 I300 E301 D349	Y293-K297 WeakPolarHBondContact O-CB 3.49Å; Y293-K297 PolarHBondContact O-N 3.03Å; E294-K297 PolarHBondContact O-N 3.31Å; E294-K297 IonicContact OE1-NZ 2.89Å; K297-T299 PolarHBondContact O-N 2.69Å; K297-I300 WeakPolarHBondContact O-CB 3.23Å; K297-I300 PolarHBondContact O-N 3.34Å; K297-I300 VanDerWaalsContact O-N 3.1Å; K297-E301 VanDerWaalsContact CE-OE1 3.23Å; K297-E301 WeakPolarHBondContact CE-OE1 3.44Å; K297-E301 WeakPolarHBondContact O-CG 3.5Å; K297-E301 PolarHBondContact O-N 2.8Å; K297-D349 WeakPolarHBondContact CE-OD1 3.33Å; K297-D349 IonicContact NZ-OD1 3.79Å; K297-D349 PolarHBondContact NZ-OD1 2.98Å
298	Q	93.8	Very high	92.5	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	19%	0.187	S	C	.	.	H	α-helix	trans	-60.6	-36.3	178.2	-172	61.5	21.3	0	0	112.2	E294 I295 E301 M302 L444 V447	E294-Q298 PolarHBondContact O-N 3.08Å; I295-Q298 PolarHBondContact O-N 2.82Å; Q298-E301 PolarHBondContact O-N 2.61Å; Q298-M302 WeakPolarHBondContact O-CB 3.38Å; Q298-M302 PolarHBondContact O-N 2.78Å; Q298-L444 HydrophobicContact CB-CD2 3.7Å; Q298-L444 HydrophobicContact CG-CD2 3.96Å; Q298-V447 HydrophobicContact CG-CG1 4.28Å; Q298-V447 HydrophobicContact CG-CG2 4.49Å
299	T	95.2	Very high	92.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-44.8	174.6	-56	0	0	0	0	111.3	I295 A296 K297 E301 M302 I303 I389 Y415 I441 V451	I295-T299 WeakPolarHBondContact O-CB 3.33Å; I295-T299 PolarHBondContact O-N 3.32Å; I295-T299 PolarHBondContact O-OG1 3.27Å; A296-T299 WeakPolarHBondContact O-CB 3.34Å; A296-T299 PolarHBondContact O-N 2.9Å; K297-T299 PolarHBondContact O-N 2.69Å; T299-E301 VanDerWaalsContact C-N 3.35Å; T299-M302 PolarHBondContact O-N 3.16Å; T299-I303 HydrophobicContact CG2-CD1 4.11Å; T299-I303 VanDerWaalsContact O-CG1 3.28Å; T299-I303 WeakPolarHBondContact O-CG1 3.15Å; T299-I303 PolarHBondContact O-N 3.24Å; T299-I389 HydrophobicContact CG2-CD1 4.17Å; T299-Y415 HydrophobicContact CG2-CD1 4.48Å; T299-Y415 HydrophobicContact CG2-CG 4.37Å; T299-I441 HydrophobicContact CG2-CD1 3.74Å; T299-V451 HydrophobicContact CG2-CG2 3.75Å
300	I	95.7	Very high	91.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.1	-42.3	175.1	-67.5	175	0	0	0	111	I280 L282 A296 K297 I303 M304 I315 L348 I389	I280-I300 HydrophobicContact CD1-CG2 4.47Å; I280-I300 HydrophobicContact CG2-CD1 4.34Å; I280-I300 HydrophobicContact CG2-CG1 4.12Å; L282-I300 HydrophobicContact CB-CD1 4.07Å; L282-I300 HydrophobicContact CD1-CD1 3.86Å; L282-I300 HydrophobicContact CD2-CD1 3.7Å; L282-I300 HydrophobicContact CG-CD1 4.06Å; A296-I300 WeakPolarHBondContact O-CG1 3.47Å; A296-I300 PolarHBondContact O-N 3.17Å; K297-I300 WeakPolarHBondContact O-CB 3.23Å; K297-I300 PolarHBondContact O-N 3.34Å; K297-I300 VanDerWaalsContact O-N 3.1Å; I300-I303 PolarHBondContact O-N 3.31Å; I300-M304 HydrophobicContact CG2-CE 4.1Å; I300-M304 HydrophobicContact CG2-CG 4.34Å; I300-M304 HydrophobicContact CG2-SD 4.38Å; I300-M304 WeakPolarHBondContact O-CG 3.34Å; I300-M304 PolarHBondContact O-N 2.9Å; I300-I315 HydrophobicContact CG2-CD1 3.71Å; I300-L348 HydrophobicContact CG2-CD1 3.73Å; I300-I389 HydrophobicContact CD1-CD1 4.09Å; I300-I389 HydrophobicContact CG1-CD1 3.35Å
301	E	94	Very high	91.7	Very high	26 Å²	26	30.3 Å²	30.3	12%	0.121	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-44.8	178	-69.4	-161.8	-156.8	0	0	112.1	K297 Q298 T299 M304 E305 R345	K297-E301 VanDerWaalsContact CE-OE1 3.23Å; K297-E301 WeakPolarHBondContact CE-OE1 3.44Å; K297-E301 WeakPolarHBondContact O-CG 3.5Å; K297-E301 PolarHBondContact O-N 2.8Å; Q298-E301 PolarHBondContact O-N 2.61Å; T299-E301 VanDerWaalsContact C-N 3.35Å; E301-M304 HydrophobicContact CB-CE 4.44Å; E301-M304 HydrophobicContact CG-CE 3.99Å; E301-M304 PolarHBondContact O-N 3.39Å; E301-E305 WeakPolarHBondContact O-CG 3.4Å; E301-E305 PolarHBondContact O-N 3.33Å; E301-R345 IonicContact OE1-NE 3.53Å; E301-R345 IonicContact OE2-CZ 3.23Å; E301-R345 IonicContact OE2-NE 2.82Å; E301-R345 PolarHBondContact OE2-NE 2.92Å; E301-R345 IonicContact OE2-NH2 2.76Å
302	M	92.1	Very high	91.6	Very high	14 Å²	14	22.7 Å²	22.7	7%	0.069	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-42	174.7	-174.4	61	60.5	0	0	111.8	Q298 T299 M304 E305 T306 V447 Q448 V451	Q298-M302 WeakPolarHBondContact O-CB 3.38Å; Q298-M302 PolarHBondContact O-N 2.78Å; T299-M302 PolarHBondContact O-N 3.16Å; M302-M304 VanDerWaalsContact C-N 3.34Å; M302-M304 PolarHBondContact O-N 2.78Å; M302-E305 WeakPolarHBondContact O-CB 3.32Å; M302-E305 PolarHBondContact O-N 3.09Å; M302-T306 PolarHBondContact O-N 3.45Å; M302-V447 HydrophobicContact CB-CG1 3.93Å; M302-V447 HydrophobicContact CG-CG1 4.33Å; M302-Q448 HydrophobicContact CE-CB 3.92Å; M302-Q448 HydrophobicContact CE-CG 3.96Å; M302-Q448 HydrophobicContact SD-CG 4.19Å; M302-V451 HydrophobicContact CB-CB 4.46Å; M302-V451 HydrophobicContact CB-CG1 4.38Å; M302-V451 HydrophobicContact CB-CG2 4.28Å; M302-V451 HydrophobicContact CG-CB 3.8Å; M302-V451 HydrophobicContact CG-CG1 3.82Å; M302-V451 HydrophobicContact CG-CG2 4.12Å
303	I	94.3	Very high	91.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62	-42.3	174.2	-67.6	163.9	0	0	0	110.6	I280 T299 I300 E305 T306 L307 M387 I389 Y415 V451	I280-I303 HydrophobicContact CD1-CB 4.44Å; I280-I303 HydrophobicContact CD1-CG2 3.76Å; T299-I303 HydrophobicContact CG2-CD1 4.11Å; T299-I303 VanDerWaalsContact O-CG1 3.28Å; T299-I303 WeakPolarHBondContact O-CG1 3.15Å; T299-I303 PolarHBondContact O-N 3.24Å; I300-I303 PolarHBondContact O-N 3.31Å; I303-E305 VanDerWaalsContact C-N 3.26Å; I303-E305 PolarHBondContact O-N 3.25Å; I303-T306 PolarHBondContact O-N 3.04Å; I303-T306 VanDerWaalsContact O-N 3.16Å; I303-T306 PolarHBondContact O-OG1 3.12Å; I303-L307 WeakPolarHBondContact O-CG 3.46Å; I303-L307 PolarHBondContact O-N 3.08Å; I303-M387 HydrophobicContact CD1-SD 4.06Å; I303-M387 HydrophobicContact CG1-SD 4.46Å; I303-M387 HydrophobicContact CG2-SD 3.86Å; I303-I389 HydrophobicContact CD1-CD1 4.14Å; I303-Y415 HydrophobicContact CD1-CD2 4.42Å; I303-Y415 HydrophobicContact CD1-CE2 3.9Å; I303-V451 HydrophobicContact CB-CG1 4.43Å; I303-V451 HydrophobicContact CG1-CG1 3.56Å; I303-V451 HydrophobicContact CG1-CG2 4.1Å
304	M	93.2	Very high	91.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-63.8	-31.4	177.4	-73.4	-170.6	-61.3	0	0	112.3	I300 E301 M302 T306 L307 F313 I315 K341 L344 R345 L348	I300-M304 HydrophobicContact CG2-CE 4.1Å; I300-M304 HydrophobicContact CG2-CG 4.34Å; I300-M304 HydrophobicContact CG2-SD 4.38Å; I300-M304 WeakPolarHBondContact O-CG 3.34Å; I300-M304 PolarHBondContact O-N 2.9Å; E301-M304 HydrophobicContact CB-CE 4.44Å; E301-M304 HydrophobicContact CG-CE 3.99Å; E301-M304 PolarHBondContact O-N 3.39Å; M302-M304 VanDerWaalsContact C-N 3.34Å; M302-M304 PolarHBondContact O-N 2.78Å; M304-T306 VanDerWaalsContact C-N 3.32Å; M304-L307 PolarHBondContact O-N 3.14Å; M304-F313 HydrophobicContact CG-CE2 3.81Å; M304-F313 HydrophobicContact CG-CZ 4.4Å; M304-F313 HydrophobicContact SD-CE2 3.88Å; M304-F313 HydrophobicContact SD-CZ 4.25Å; M304-I315 HydrophobicContact SD-CD1 4.21Å; M304-K341 HydrophobicContact CB-CD 4.48Å; M304-K341 WeakPolarHBondContact O-CD 3.47Å; M304-K341 WeakPolarHBondContact O-CE 3.35Å; M304-K341 PolarHBondContact O-NZ 3.42Å; M304-L344 HydrophobicContact SD-CB 4.36Å; M304-R345 HydrophobicContact CE-CB 4.39Å; M304-L348 HydrophobicContact CE-CD1 4.21Å
305	E	89.4	Confident	91.9	Very high	94 Å²	94	14.1 Å²	14.1	44%	0.439	7%	0.067	S	C	.	.	H	α-helix	trans	-67	-31.6	174.5	-73.6	177.5	-178	0	0	112.5	E301 M302 I303 L307 R345	E301-E305 WeakPolarHBondContact O-CG 3.4Å; E301-E305 PolarHBondContact O-N 3.33Å; M302-E305 WeakPolarHBondContact O-CB 3.32Å; M302-E305 PolarHBondContact O-N 3.09Å; I303-E305 VanDerWaalsContact C-N 3.26Å; I303-E305 PolarHBondContact O-N 3.25Å; E305-L307 VanDerWaalsContact C-N 3.3Å; E305-L307 PolarHBondContact O-N 3.49Å; E305-R345 IonicContact OE1-NH2 3.34Å
306	T	90.8	Very high	91.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	2.8	177.4	68.6	0	0	0	0	114.5	I269 K276 M302 I303 M304 Y454	I269-T306 WeakPolarHBondContact CG2-O 3.31Å; K276-T306 PolarHBondContact NZ-O 3.21Å; M302-T306 PolarHBondContact O-N 3.45Å; I303-T306 PolarHBondContact O-N 3.04Å; I303-T306 VanDerWaalsContact O-N 3.16Å; I303-T306 PolarHBondContact O-OG1 3.12Å; M304-T306 VanDerWaalsContact C-N 3.32Å; T306-Y454 VanDerWaalsContact CB-OH 3.29Å; T306-Y454 WeakPolarHBondContact CB-OH 3.48Å; T306-Y454 PolarHBondContact O-OH 3.01Å; T306-Y454 WeakPolarHBondContact OG1-CE1 3.39Å; T306-Y454 PolarHBondContact OG1-OH 2.71Å
307	L	90.8	Very high	91.9	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.026	6%	0.064	C	C	.	.			trans	-88.9	138	172.1	-55.7	-178.1	0	0	0	110.1	I278 I303 M304 E305 D311 F313 A336 K341	I278-L307 HydrophobicContact CD1-CD2 3.49Å; I278-L307 VanDerWaalsContact CD1-CD2 3.49Å; I303-L307 WeakPolarHBondContact O-CG 3.46Å; I303-L307 PolarHBondContact O-N 3.08Å; M304-L307 PolarHBondContact O-N 3.14Å; E305-L307 VanDerWaalsContact C-N 3.3Å; E305-L307 PolarHBondContact O-N 3.49Å; L307-D311 WeakPolarHBondContact CA-OD2 3.37Å; L307-D311 HydrophobicContact CB-CB 4.29Å; L307-D311 HydrophobicContact CD2-CB 4.47Å; L307-F313 HydrophobicContact CD1-CB 3.65Å; L307-F313 HydrophobicContact CD1-CD1 3.91Å; L307-F313 HydrophobicContact CD1-CD2 3.66Å; L307-F313 HydrophobicContact CD1-CE1 4.48Å; L307-F313 HydrophobicContact CD1-CE2 4.22Å; L307-F313 HydrophobicContact CD1-CG 3.45Å; L307-F313 VanDerWaalsContact CD1-CG 3.45Å; L307-A336 HydrophobicContact CB-CB 3.68Å; L307-A336 HydrophobicContact CD1-CB 4.08Å; L307-K341 PolarHBondContact O-NZ 2.93Å
308	T	87.5	Confident	91.9	Very high	8 Å²	8	12 Å²	12	5%	0.049	6%	0.058	C	C	.	.			trans	-102.2	171	174.8	68.4	0	0	0	0	110.7	E266 I269 D270 N310 D311 A336	E266-T308 HydrophobicContact CG-CG2 3.94Å; I269-T308 HydrophobicContact CB-CG2 4.21Å; I269-T308 HydrophobicContact CG2-CG2 3.91Å; D270-T308 VanDerWaalsContact OD1-CB 3.27Å; D270-T308 WeakPolarHBondContact OD1-CB 3.38Å; D270-T308 WeakPolarHBondContact OD1-CG2 3.33Å; D270-T308 PolarHBondContact OD1-OG1 3.02Å; T308-N310 PolarHBondContact O-N 3.15Å; T308-D311 PolarHBondContact N-OD2 3.27Å; T308-D311 WeakPolarHBondContact O-CB 3.5Å; T308-D311 PolarHBondContact O-N 2.84Å; T308-A336 WeakPolarHBondContact O-CB 3.36Å
309	E	83.2	Confident	91.9	Very high	14 Å²	14	9.9 Å²	9.9	7%	0.065	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.7	177.1	-64.6	-64.1	151.5	0	0	112.7	D311 Q335 T337 I338 Y534	E309-D311 VanDerWaalsContact C-N 3.31Å; E309-Q335 VanDerWaalsContact O-CG 3.22Å; E309-Q335 WeakPolarHBondContact O-CG 3.44Å; E309-Q335 PolarHBondContact O-NE2 2.92Å; E309-T337 WeakPolarHBondContact OE1-CA 3.5Å; E309-T337 WeakPolarHBondContact OE2-CA 3.35Å; E309-T337 WeakPolarHBondContact OE2-CB 3.38Å; E309-T337 VanDerWaalsContact OE2-CG2 3.31Å; E309-T337 WeakPolarHBondContact OE2-CG2 3.44Å; E309-I338 WeakPolarHBondContact OE1-CG1 3.43Å; E309-I338 PolarHBondContact OE1-N 2.95Å; E309-I338 VanDerWaalsContact OE1-N 3.12Å; E309-Y534 HydrophobicContact CB-CE2 4.08Å; E309-Y534 HydrophobicContact CG-CE2 4.04Å; E309-Y534 PolarHBondContact OE2-OH 3.05Å
310	N	83.9	Confident	91.7	Very high	12 Å²	12	14.2 Å²	14.2	6%	0.064	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-15	176.6	-68.1	-45.1	0	0	0	113.3	D270 A275 T308 N532 R1124	D270-N310 PolarHBondContact OD2-ND2 2.9Å; D270-N310 VanDerWaalsContact OD2-ND2 3.08Å; A275-N310 HydrophobicContact CB-CB 4.14Å; T308-N310 PolarHBondContact O-N 3.15Å; N310-N532 PolarHBondContact OD1-ND2 3.4Å; N310-R1124 PolarHBondContact O-NH1 2.99Å; N310-R1124 VanDerWaalsContact O-NH1 3.16Å
311	D	88.8	Confident	91.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.			trans	-90.6	155.2	-174.1	-61.8	-32.3	0	0	0	113.7	A275 K276 L307 T308 E309 Q335 A336	A275-D311 WeakPolarHBondContact CA-OD1 3.32Å; K276-D311 WeakPolarHBondContact CE-OD2 3.22Å; K276-D311 HydrophobicContact CG-CB 4.29Å; K276-D311 VanDerWaalsContact CG-OD1 3.27Å; K276-D311 WeakPolarHBondContact CG-OD1 3.26Å; K276-D311 PolarHBondContact N-OD1 3.2Å; K276-D311 IonicContact NZ-OD1 3.49Å; K276-D311 IonicContact NZ-OD2 2.95Å; K276-D311 PolarHBondContact NZ-OD2 2.77Å; K276-D311 WeakPolarHBondContact O-CA 3.35Å; L307-D311 WeakPolarHBondContact CA-OD2 3.37Å; L307-D311 HydrophobicContact CB-CB 4.29Å; L307-D311 HydrophobicContact CD2-CB 4.47Å; T308-D311 PolarHBondContact N-OD2 3.27Å; T308-D311 WeakPolarHBondContact O-CB 3.5Å; T308-D311 PolarHBondContact O-N 2.84Å; E309-D311 VanDerWaalsContact C-N 3.31Å; D311-Q335 CarbonylContact O-C 3.54Å; D311-Q335 WeakPolarHBondContact O-CA 3.47Å; D311-A336 HydrophobicContact CB-CB 4.17Å; D311-A336 PolarHBondContact O-N 3.02Å
312	F	90.2	Very high	91.4	Very high	10 Å²	10	21.4 Å²	21.4	4%	0.044	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.3	178.7	-77.1	-106.3	0	0	0	108.8	K276 N277 I278 L333 V334 Q335 N379	K276-F312 PolarHBondContact O-N 2.81Å; N277-F312 CarbonylContact C-O 3.43Å; N277-F312 VanDerWaalsContact CA-O 3.3Å; N277-F312 WeakPolarHBondContact CA-O 3.42Å; I278-F312 PolarHBondContact N-O 2.86Å; F312-L333 HydrophobicContact CB-CB 3.9Å; F312-L333 HydrophobicContact CB-CD1 4.2Å; F312-L333 HydrophobicContact CD1-CB 4.39Å; F312-V334 CarbonylContact C-O 3.54Å; F312-V334 WeakPolarHBondContact CA-O 3.36Å; F312-Q335 HydrophobicContact CE1-CB 4.06Å; F312-Q335 HydrophobicContact CE2-CB 4.3Å; F312-Q335 HydrophobicContact CE2-CG 4.23Å; F312-Q335 HydrophobicContact CZ-CB 3.88Å; F312-Q335 HydrophobicContact CZ-CG 4.15Å; F312-N379 HydrophobicContact CD1-CB 4.09Å; F312-N379 HydrophobicContact CE1-CB 4.17Å
313	F	93.2	Very high	91.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	162	-178.5	83.4	-59.8	0	0	0	113.5	I278 M304 L307 I315 V334 A336 K341 L344	I278-F313 HydrophobicContact CB-CB 4.36Å; I278-F313 CarbonylContact O-C 3.57Å; I278-F313 WeakPolarHBondContact O-CA 3.46Å; M304-F313 HydrophobicContact CG-CE2 3.81Å; M304-F313 HydrophobicContact CG-CZ 4.4Å; M304-F313 HydrophobicContact SD-CE2 3.88Å; M304-F313 HydrophobicContact SD-CZ 4.25Å; L307-F313 HydrophobicContact CD1-CB 3.65Å; L307-F313 HydrophobicContact CD1-CD1 3.91Å; L307-F313 HydrophobicContact CD1-CD2 3.66Å; L307-F313 HydrophobicContact CD1-CE1 4.48Å; L307-F313 HydrophobicContact CD1-CE2 4.22Å; L307-F313 HydrophobicContact CD1-CG 3.45Å; L307-F313 VanDerWaalsContact CD1-CG 3.45Å; F313-I315 HydrophobicContact CD2-CG1 4.43Å; F313-I315 HydrophobicContact CE2-CD1 4.36Å; F313-I315 HydrophobicContact CE2-CG1 4.36Å; F313-V334 HydrophobicContact CD1-CG2 4.36Å; F313-V334 HydrophobicContact CE1-CG2 4.28Å; F313-V334 PolarHBondContact N-O 2.81Å; F313-V334 WeakPolarHBondContact O-CG2 3.08Å; F313-V334 PolarHBondContact O-N 2.89Å; F313-A336 HydrophobicContact CD1-CB 3.6Å; F313-A336 HydrophobicContact CE1-CB 3.81Å; F313-K341 HydrophobicContact CE1-CG 4.19Å; F313-K341 HydrophobicContact CZ-CG 3.84Å; F313-L344 HydrophobicContact CD2-CD1 4.42Å; F313-L344 HydrophobicContact CE1-CD1 4.15Å; F313-L344 HydrophobicContact CE2-CD1 3.43Å; F313-L344 VanDerWaalsContact CE2-CD1 3.43Å; F313-L344 HydrophobicContact CZ-CD1 3.28Å
314	N	93.5	Very high	91.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	158.8	165.7	-157.7	-7.8	0	0	0	110	I278 I280 F324 F329 R332 L333	I278-N314 PolarHBondContact O-N 2.91Å; I278-N314 VanDerWaalsContact O-N 3.08Å; I280-N314 PolarHBondContact N-O 3.17Å; N314-F324 WeakPolarHBondContact ND2-CD1 3.29Å; N314-F324 WeakPolarHBondContact ND2-CE1 3.4Å; N314-F329 PolarHBondContact ND2-O 3.17Å; N314-R332 PolarHBondContact ND2-O 3.47Å; N314-L333 HydrophobicContact CB-CD2 4.03Å
315	I	95.4	Very high	91.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.8	-178.4	-50.4	177.3	0	0	0	109	I280 I300 M304 F313 V325 L344 L348	I280-I315 HydrophobicContact CB-CG1 4.29Å; I280-I315 HydrophobicContact CB-CG2 4.4Å; I280-I315 HydrophobicContact CD1-CG1 4.32Å; I280-I315 HydrophobicContact CG2-CG2 4.49Å; I280-I315 WeakPolarHBondContact O-CA 3.35Å; I300-I315 HydrophobicContact CG2-CD1 3.71Å; M304-I315 HydrophobicContact SD-CD1 4.21Å; F313-I315 HydrophobicContact CD2-CG1 4.43Å; F313-I315 HydrophobicContact CE2-CD1 4.36Å; F313-I315 HydrophobicContact CE2-CG1 4.36Å; I315-V325 HydrophobicContact CB-CB 4.43Å; I315-V325 HydrophobicContact CB-CG2 3.81Å; I315-V325 HydrophobicContact CG2-CG2 3.61Å; I315-V325 PolarHBondContact O-N 3.19Å; I315-V325 VanDerWaalsContact O-N 3.11Å; I315-L344 HydrophobicContact CD1-CB 4.4Å; I315-L344 HydrophobicContact CD1-CD1 4.27Å; I315-L344 HydrophobicContact CD1-CD2 4.27Å; I315-L344 HydrophobicContact CG1-CD1 4.49Å; I315-L348 HydrophobicContact CD1-CD1 4.13Å
316	L	95.1	Very high	91.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.2	176.2	-169.6	76.5	0	0	0	108.8	I280 L281 L282 P322 F324 A362 M365	I280-L316 PolarHBondContact O-N 2.72Å; L281-L316 WeakPolarHBondContact CA-O 3.14Å; L281-L316 HydrophobicContact CD2-CB 3.85Å; L281-L316 HydrophobicContact CD2-CD2 3.4Å; L281-L316 VanDerWaalsContact CD2-CD2 3.4Å; L281-L316 HydrophobicContact CD2-CG 4.14Å; L282-L316 PolarHBondContact N-O 3.36Å; L316-P322 HydrophobicContact CD1-CB 4.2Å; L316-P322 HydrophobicContact CD2-CB 3.83Å; L316-P322 HydrophobicContact CG-CB 4.08Å; L316-F324 HydrophobicContact CD1-CD1 3.91Å; L316-F324 HydrophobicContact CD1-CD2 4.25Å; L316-F324 HydrophobicContact CD1-CE1 3.86Å; L316-F324 HydrophobicContact CD1-CE2 4.19Å; L316-F324 HydrophobicContact CD1-CG 4.12Å; L316-F324 HydrophobicContact CD1-CZ 3.99Å; L316-A362 HydrophobicContact CD2-CB 4.36Å; L316-M365 HydrophobicContact CD1-CG 4.31Å; L316-M365 HydrophobicContact CD1-SD 3.46Å; L316-M365 WeakPolarHBondContact CD1-SD 3.28Å; L316-M365 HydrophobicContact CD2-CB 4.2Å; L316-M365 HydrophobicContact CD2-CG 4.29Å; L316-M365 HydrophobicContact CD2-SD 4.21Å; L316-M365 HydrophobicContact CG-SD 4.48Å
317	A	95.1	Very high	90.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.1	172.6	0	0	0	0	0	109	L282 V284 R323 V325	L282-A317 CarbonylContact O-C 3.55Å; L282-A317 WeakPolarHBondContact O-CA 3.27Å; V284-A317 HydrophobicContact CG1-CB 4.03Å; V284-A317 HydrophobicContact CG2-CB 4.18Å; A317-R323 PolarHBondContact N-O 3.38Å; A317-R323 WeakPolarHBondContact O-CG 3.5Å; A317-R323 PolarHBondContact O-N 3.03Å; A317-R323 VanDerWaalsContact O-O 3.08Å; A317-V325 HydrophobicContact CB-CG2 4.31Å
318	F	95.1	Very high	90	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	133.3	-179.3	67.9	-81.5	0	0	0	112.2	L281 L282 D283 V284 P322 A357 Y359 A362 L388	L281-F318 HydrophobicContact CB-CD1 4.47Å; L281-F318 HydrophobicContact CB-CE1 4.01Å; L282-F318 VanDerWaalsContact C-CE1 3.43Å; L282-F318 WeakPolarHBondContact O-CD1 3.47Å; L282-F318 PolarHBondContact O-N 3.42Å; D283-F318 HydrophobicContact CB-CE1 4.25Å; D283-F318 HydrophobicContact CB-CE2 4.41Å; D283-F318 HydrophobicContact CB-CZ 3.87Å; V284-F318 VanDerWaalsContact CG2-C 3.48Å; V284-F318 VanDerWaalsContact CG2-O 3.3Å; V284-F318 WeakPolarHBondContact CG2-O 3.47Å; V284-F318 PolarHBondContact N-O 3.47Å; F318-P322 HydrophobicContact CB-CB 4.05Å; F318-A357 HydrophobicContact CD2-CB 4.48Å; F318-A357 HydrophobicContact CE2-CB 4.04Å; F318-Y359 HydrophobicContact CE2-CD1 4.06Å; F318-Y359 AromaticContact CE2-CE1 3.9Å; F318-Y359 HydrophobicContact CE2-CE1 3.9Å; F318-Y359 HydrophobicContact CE2-CE2 4.47Å; F318-Y359 HydrophobicContact CE2-CG 4.38Å; F318-Y359 HydrophobicContact CZ-CD1 4.18Å; F318-Y359 AromaticContact CZ-CE1 3.75Å; F318-Y359 HydrophobicContact CZ-CE1 3.75Å; F318-A362 HydrophobicContact CB-CB 3.77Å; F318-A362 HydrophobicContact CD1-CB 3.86Å; F318-A362 HydrophobicContact CD2-CB 3.9Å; F318-A362 HydrophobicContact CE1-CB 4.47Å; F318-A362 HydrophobicContact CE2-CB 4.48Å; F318-A362 HydrophobicContact CG-CB 3.56Å; F318-L388 HydrophobicContact CE1-CD1 4.01Å; F318-L388 HydrophobicContact CZ-CD1 3.87Å
319	S	93.5	Very high	89.8	Confident	22 Å²	22	31.2 Å²	31.2	15%	0.154	16%	0.161	C	C	.	.	S	Bend	trans	-126.9	-110.1	158.5	57.1	0	0	0	0	106.5	E321 E354 I356 N358	S319-E321 VanDerWaalsContact C-N 3.3Å; S319-E321 PolarHBondContact O-N 3.47Å; S319-E354 WeakPolarHBondContact CB-O 3.37Å; S319-E354 PolarHBondContact OG-O 3.37Å; S319-E354 VanDerWaalsContact OG-O 3.1Å; S319-I356 CarbonylContact C-O 3.59Å; S319-I356 WeakPolarHBondContact CA-O 3.41Å; S319-N358 WeakPolarHBondContact O-CB 2.96Å; S319-N358 PolarHBondContact O-N 3.26Å
320	D	89.8	Confident	89.8	Confident	91 Å²	91	40.1 Å²	40.1	49%	0.487	19%	0.194	S	C	.	.	S	Bend	trans	-65.3	-36.7	-179.6	-58.7	-37.4	0	0	0	111.5	I356 N358	D320-I356 PolarHBondContact N-O 3.31Å; D320-I356 VanDerWaalsContact N-O 3.16Å; D320-I356 PolarHBondContact OD1-N 2.84Å; D320-N358 WeakPolarHBondContact O-CB 3.07Å; D320-N358 PolarHBondContact O-ND2 2.82Å
321	E	91.7	Very high	89.8	Confident	157 Å²	157	40.8 Å²	40.8	73%	0.734	20%	0.204	S	C	*	.	S	Bend	trans	-130.7	140.8	173.3	-66.1	-171.3	169.9	0	0	111.2	S319	S319-E321 VanDerWaalsContact C-N 3.3Å; S319-E321 PolarHBondContact O-N 3.47Å
322	P	93.5	Very high	89.5	Confident	20 Å²	20	45.7 Å²	45.7	13%	0.13	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	131.2	174.3	30.5	-34.7	0	0	0	111.7	L316 F318 A361 A362 M365	L316-P322 HydrophobicContact CD1-CB 4.2Å; L316-P322 HydrophobicContact CD2-CB 3.83Å; L316-P322 HydrophobicContact CG-CB 4.08Å; F318-P322 HydrophobicContact CB-CB 4.05Å; P322-A361 HydrophobicContact CG-CB 3.91Å; P322-A362 HydrophobicContact CB-CB 4.19Å; P322-M365 HydrophobicContact CB-CE 4.36Å; P322-M365 HydrophobicContact CB-SD 4.12Å; P322-M365 HydrophobicContact CG-CE 3.75Å; P322-M365 HydrophobicContact CG-SD 4.13Å
323	R	93.3	Very high	89.4	Confident	133 Å²	133	45.5 Å²	45.5	50%	0.502	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.4	178.1	60.5	178.7	-177.9	160.7	-1.3	111.6	A317	A317-R323 PolarHBondContact N-O 3.38Å; A317-R323 WeakPolarHBondContact O-CG 3.5Å; A317-R323 PolarHBondContact O-N 3.03Å; A317-R323 VanDerWaalsContact O-O 3.08Å
324	F	91.9	Very high	89.1	Confident	25 Å²	25	46 Å²	46	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	138.4	168.5	-63.6	-79.2	0	0	0	109.6	N314 L316 L326 R330 M365 V369	N314-F324 WeakPolarHBondContact ND2-CD1 3.29Å; N314-F324 WeakPolarHBondContact ND2-CE1 3.4Å; L316-F324 HydrophobicContact CD1-CD1 3.91Å; L316-F324 HydrophobicContact CD1-CD2 4.25Å; L316-F324 HydrophobicContact CD1-CE1 3.86Å; L316-F324 HydrophobicContact CD1-CE2 4.19Å; L316-F324 HydrophobicContact CD1-CG 4.12Å; L316-F324 HydrophobicContact CD1-CZ 3.99Å; F324-L326 PolarHBondContact O-N 3.23Å; F324-R330 HydrophobicContact CD2-CB 4.19Å; F324-R330 HydrophobicContact CD2-CG 4.06Å; F324-R330 HydrophobicContact CE2-CG 4.24Å; F324-M365 HydrophobicContact CE2-CG 4.45Å; F324-M365 HydrophobicContact CE2-SD 3.81Å; F324-M365 HydrophobicContact CZ-CG 4.22Å; F324-M365 HydrophobicContact CZ-SD 4.06Å; F324-V369 HydrophobicContact CE1-CG2 4.18Å; F324-V369 HydrophobicContact CZ-CG2 3.68Å
325	V	90	Very high	88.7	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	23%	0.232	C	C	.	.	S	Bend	trans	-56.1	-38.7	-179.5	170.7	0	0	0	0	111.4	I315 A317 L344 K347 L348 I351	I315-V325 HydrophobicContact CB-CB 4.43Å; I315-V325 HydrophobicContact CB-CG2 3.81Å; I315-V325 HydrophobicContact CG2-CG2 3.61Å; I315-V325 PolarHBondContact O-N 3.19Å; I315-V325 VanDerWaalsContact O-N 3.11Å; A317-V325 HydrophobicContact CB-CG2 4.31Å; V325-L344 HydrophobicContact CB-CD2 4.01Å; V325-L344 HydrophobicContact CG1-CD2 3.94Å; V325-K347 HydrophobicContact CG1-CB 3.82Å; V325-K347 HydrophobicContact CG1-CG 3.51Å; V325-K347 WeakPolarHBondContact O-CG 3.08Å; V325-L348 HydrophobicContact CG1-CD2 4.31Å; V325-L348 HydrophobicContact CG2-CD2 4.12Å; V325-I351 HydrophobicContact CG1-CD1 4.11Å; V325-I351 HydrophobicContact CG2-CD1 3.99Å
326	L	86.5	Confident	88.3	Confident	15 Å²	15	47.5 Å²	47.5	8%	0.079	23%	0.232	C	C	.	.	S	Bend	trans	-110.9	123.4	174.5	-70.8	169.2	0	0	0	110.8	F324 C328 F329 L343 L344 K347	F324-L326 PolarHBondContact O-N 3.23Å; L326-C328 PolarHBondContact O-N 3.43Å; L326-C328 VanDerWaalsContact O-N 3.08Å; L326-F329 HydrophobicContact CB-CB 4.37Å; L326-F329 HydrophobicContact CB-CD1 4.31Å; L326-F329 HydrophobicContact CB-CD2 4.07Å; L326-F329 HydrophobicContact CB-CE2 4.46Å; L326-F329 HydrophobicContact CB-CG 3.99Å; L326-F329 HydrophobicContact CD1-CD2 3.86Å; L326-F329 HydrophobicContact CD1-CE1 4.12Å; L326-F329 HydrophobicContact CD1-CE2 3.43Å; L326-F329 VanDerWaalsContact CD1-CE2 3.43Å; L326-F329 HydrophobicContact CD1-CG 4.4Å; L326-F329 HydrophobicContact CD1-CZ 3.59Å; L326-F329 PolarHBondContact O-N 2.69Å; L326-L343 HydrophobicContact CD1-CB 4.29Å; L326-L343 HydrophobicContact CD1-CD2 3.65Å; L326-L343 HydrophobicContact CD1-CG 3.66Å; L326-L343 HydrophobicContact CD2-CD2 4.42Å; L326-L343 HydrophobicContact CD2-CG 4.18Å; L326-L344 HydrophobicContact CD1-CD2 3.52Å; L326-L344 HydrophobicContact CD1-CG 3.71Å; L326-L344 HydrophobicContact CG-CD2 3.87Å; L326-K347 HydrophobicContact CD2-CB 4.07Å; L326-K347 HydrophobicContact CD2-CG 4.04Å
327	P	82.4	Confident	87.7	Confident	109 Å²	109	48.3 Å²	48.3	71%	0.708	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-56.9	-28.6	-178.4	-28.2	35	0	0	0	114.6	R330	P327-R330 VanDerWaalsContact O-CB 3.24Å; P327-R330 WeakPolarHBondContact O-CB 3.31Å; P327-R330 PolarHBondContact O-N 3Å
328	C	76.9	Confident	87	Confident	35 Å²	35	50.8 Å²	50.8	24%	0.236	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-88	-6.2	-177.8	60.2	0	0	0	0	115.5	L326 R332 C1117 L1119	L326-C328 PolarHBondContact O-N 3.43Å; L326-C328 VanDerWaalsContact O-N 3.08Å; C328-R332 PolarHBondContact O-NH2 2.95Å; C328-C1117 HydrophobicContact CB-CB 2.95Å; C328-C1117 WeakPolarHBondContact CB-SG 3.43Å; C328-C1117 WeakPolarHBondContact SG-CB 3.2Å; C328-C1117 CovalentContact SG-SG 2Å; C328-C1117 PolarHBondContact SG-SG 3.06Å; C328-L1119 HydrophobicContact CB-CD1 4.3Å; C328-L1119 WeakPolarHBondContact O-CD1 3.4Å
329	F	82	Confident	86.1	Confident	1 Å²	1	55 Å²	55	0%	0.004	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-91.3	9.1	170.8	-64.1	5.2	0	0	0	110.3	N314 L326 G331 R332 V334 N340 L343 L344 L1119	N314-F329 PolarHBondContact ND2-O 3.17Å; L326-F329 HydrophobicContact CB-CB 4.37Å; L326-F329 HydrophobicContact CB-CD1 4.31Å; L326-F329 HydrophobicContact CB-CD2 4.07Å; L326-F329 HydrophobicContact CB-CE2 4.46Å; L326-F329 HydrophobicContact CB-CG 3.99Å; L326-F329 HydrophobicContact CD1-CD2 3.86Å; L326-F329 HydrophobicContact CD1-CE1 4.12Å; L326-F329 HydrophobicContact CD1-CE2 3.43Å; L326-F329 VanDerWaalsContact CD1-CE2 3.43Å; L326-F329 HydrophobicContact CD1-CG 4.4Å; L326-F329 HydrophobicContact CD1-CZ 3.59Å; L326-F329 PolarHBondContact O-N 2.69Å; F329-G331 PolarHBondContact O-N 3.43Å; F329-R332 PolarHBondContact O-N 3.2Å; F329-V334 HydrophobicContact CB-CG1 4.21Å; F329-V334 HydrophobicContact CD1-CG1 3.78Å; F329-V334 HydrophobicContact CD2-CB 4.4Å; F329-V334 HydrophobicContact CD2-CG1 3.86Å; F329-V334 HydrophobicContact CD2-CG2 3.65Å; F329-V334 HydrophobicContact CE1-CG1 4.09Å; F329-V334 HydrophobicContact CE2-CB 4.34Å; F329-V334 HydrophobicContact CE2-CG1 4.12Å; F329-V334 HydrophobicContact CE2-CG2 3.53Å; F329-V334 HydrophobicContact CG-CG1 3.68Å; F329-V334 HydrophobicContact CG-CG2 4.35Å; F329-V334 HydrophobicContact CZ-CG1 4.23Å; F329-V334 HydrophobicContact CZ-CG2 4.17Å; F329-N340 HydrophobicContact CZ-CB 4.45Å; F329-L343 HydrophobicContact CZ-CD2 4.22Å; F329-L344 HydrophobicContact CD2-CD1 4.34Å; F329-L344 HydrophobicContact CD2-CD2 4.22Å; F329-L344 HydrophobicContact CD2-CG 4.43Å; F329-L344 HydrophobicContact CE2-CD1 3.86Å; F329-L344 HydrophobicContact CE2-CD2 4.15Å; F329-L344 HydrophobicContact CE2-CG 3.89Å; F329-L1119 HydrophobicContact CD1-CD1 3.53Å; F329-L1119 HydrophobicContact CD1-CD2 4.35Å; F329-L1119 HydrophobicContact CD1-CG 4.49Å; F329-L1119 HydrophobicContact CE1-CD1 3.56Å; F329-L1119 HydrophobicContact CE1-CD2 3.63Å; F329-L1119 HydrophobicContact CE1-CG 4.05Å; F329-L1119 HydrophobicContact CZ-CD2 4.31Å
330	R	84.2	Confident	85.6	Confident	201 Å²	201	55 Å²	55	76%	0.758	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	126.8	-176.5	-175.7	176.3	-174.7	167.1	3.7	111.5	F324 P327 R332	F324-R330 HydrophobicContact CD2-CB 4.19Å; F324-R330 HydrophobicContact CD2-CG 4.06Å; F324-R330 HydrophobicContact CE2-CG 4.24Å; P327-R330 VanDerWaalsContact O-CB 3.24Å; P327-R330 WeakPolarHBondContact O-CB 3.31Å; P327-R330 PolarHBondContact O-N 3Å; R330-R332 VanDerWaalsContact C-N 3.3Å; R330-R332 PolarHBondContact O-N 3.31Å
331	G	82.7	Confident	85.4	Confident	27 Å²	27	51.9 Å²	51.9	28%	0.278	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	14.8	172	0	0	0	0	0	115.4	F329	F329-G331 PolarHBondContact O-N 3.43Å
332	R	84.3	Confident	84.9	Confident	103 Å²	103	49.4 Å²	49.4	39%	0.389	23%	0.233	S	C	.	.	S	Bend	trans	-147.2	156.4	179.3	59.4	177.7	171.3	176.8	-8.2	112.4	N314 C328 F329 R330	N314-R332 PolarHBondContact ND2-O 3.47Å; C328-R332 PolarHBondContact O-NH2 2.95Å; F329-R332 PolarHBondContact O-N 3.2Å; R330-R332 VanDerWaalsContact C-N 3.3Å; R330-R332 PolarHBondContact O-N 3.31Å
333	L	87.9	Confident	84.4	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	24%	0.244	C	C	.	.			trans	-82.3	147.2	165.3	-56.8	179.2	0	0	0	110.2	N277 V279 F312 N314 V369 A373	N277-L333 HydrophobicContact CB-CD1 3.63Å; V279-L333 HydrophobicContact CG2-CD2 3.63Å; F312-L333 HydrophobicContact CB-CB 3.9Å; F312-L333 HydrophobicContact CB-CD1 4.2Å; F312-L333 HydrophobicContact CD1-CB 4.39Å; N314-L333 HydrophobicContact CB-CD2 4.03Å; L333-V369 HydrophobicContact CD2-CG1 3.69Å; L333-V369 HydrophobicContact CG-CG1 3.99Å; L333-A373 HydrophobicContact CD1-CB 3.55Å; L333-A373 HydrophobicContact CG-CB 4.01Å
334	V	87.1	Confident	84.2	Confident	9 Å²	9	45.4 Å²	45.4	6%	0.055	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	145.7	175.1	-63.9	0	0	0	0	110.3	F312 F313 F329 A336	F312-V334 CarbonylContact C-O 3.54Å; F312-V334 WeakPolarHBondContact CA-O 3.36Å; F313-V334 HydrophobicContact CD1-CG2 4.36Å; F313-V334 HydrophobicContact CE1-CG2 4.28Å; F313-V334 PolarHBondContact N-O 2.81Å; F313-V334 WeakPolarHBondContact O-CG2 3.08Å; F313-V334 PolarHBondContact O-N 2.89Å; F329-V334 HydrophobicContact CB-CG1 4.21Å; F329-V334 HydrophobicContact CD1-CG1 3.78Å; F329-V334 HydrophobicContact CD2-CB 4.4Å; F329-V334 HydrophobicContact CD2-CG1 3.86Å; F329-V334 HydrophobicContact CD2-CG2 3.65Å; F329-V334 HydrophobicContact CE1-CG1 4.09Å; F329-V334 HydrophobicContact CE2-CB 4.34Å; F329-V334 HydrophobicContact CE2-CG1 4.12Å; F329-V334 HydrophobicContact CE2-CG2 3.53Å; F329-V334 HydrophobicContact CG-CG1 3.68Å; F329-V334 HydrophobicContact CG-CG2 4.35Å; F329-V334 HydrophobicContact CZ-CG1 4.23Å; F329-V334 HydrophobicContact CZ-CG2 4.17Å; V334-A336 PolarHBondContact O-N 2.82Å
335	Q	84.5	Confident	84.1	Confident	33 Å²	33	47.8 Å²	47.8	15%	0.154	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	139.7	174.4	-171.9	179.2	6.2	0	0	110.2	E309 D311 F312 T337 N340	E309-Q335 VanDerWaalsContact O-CG 3.22Å; E309-Q335 WeakPolarHBondContact O-CG 3.44Å; E309-Q335 PolarHBondContact O-NE2 2.92Å; D311-Q335 CarbonylContact O-C 3.54Å; D311-Q335 WeakPolarHBondContact O-CA 3.47Å; F312-Q335 HydrophobicContact CE1-CB 4.06Å; F312-Q335 HydrophobicContact CE2-CB 4.3Å; F312-Q335 HydrophobicContact CE2-CG 4.23Å; F312-Q335 HydrophobicContact CZ-CB 3.88Å; F312-Q335 HydrophobicContact CZ-CG 4.15Å; Q335-T337 HydrophobicContact CB-CG2 4.08Å; Q335-T337 HydrophobicContact CG-CG2 3.85Å; Q335-T337 PolarHBondContact O-N 2.78Å; Q335-N340 PolarHBondContact O-ND2 2.76Å
336	A	87.8	Confident	83.9	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.			trans	-77.3	51.3	-178.4	0	0	0	0	0	113.1	L307 T308 D311 F313 V334 K341	L307-A336 HydrophobicContact CB-CB 3.68Å; L307-A336 HydrophobicContact CD1-CB 4.08Å; T308-A336 WeakPolarHBondContact O-CB 3.36Å; D311-A336 HydrophobicContact CB-CB 4.17Å; D311-A336 PolarHBondContact O-N 3.02Å; F313-A336 HydrophobicContact CD1-CB 3.6Å; F313-A336 HydrophobicContact CE1-CB 3.81Å; V334-A336 PolarHBondContact O-N 2.82Å; A336-K341 WeakPolarHBondContact O-CE 3.46Å
337	T	82.2	Confident	84	Confident	17 Å²	17	53.5 Å²	53.5	10%	0.104	26%	0.262	C	S	.	.			trans	-69	147.4	175.3	72.8	0	0	0	0	111.7	E309 Q335 R339 N340 K341	E309-T337 WeakPolarHBondContact OE1-CA 3.5Å; E309-T337 WeakPolarHBondContact OE2-CA 3.35Å; E309-T337 WeakPolarHBondContact OE2-CB 3.38Å; E309-T337 VanDerWaalsContact OE2-CG2 3.31Å; E309-T337 WeakPolarHBondContact OE2-CG2 3.44Å; Q335-T337 HydrophobicContact CB-CG2 4.08Å; Q335-T337 HydrophobicContact CG-CG2 3.85Å; Q335-T337 PolarHBondContact O-N 2.78Å; T337-R339 PolarHBondContact O-N 3.31Å; T337-R339 VanDerWaalsContact O-N 3.08Å; T337-N340 PolarHBondContact O-N 3.47Å; T337-N340 WeakPolarHBondContact OG1-CB 3.31Å; T337-N340 PolarHBondContact OG1-N 3.28Å; T337-N340 VanDerWaalsContact OG1-N 3.09Å; T337-N340 PolarHBondContact OG1-ND2 3.4Å; T337-K341 WeakPolarHBondContact O-CG 3.49Å; T337-K341 PolarHBondContact O-N 3.16Å
338	I	79	Confident	84.4	Confident	53 Å²	53	48.3 Å²	48.3	27%	0.272	23%	0.228	S	C	.	.	H	α-helix	trans	-53	-34	174.4	-45.2	172.9	0	0	0	110.9	E309 K342 H552 N554	E309-I338 WeakPolarHBondContact OE1-CG1 3.43Å; E309-I338 PolarHBondContact OE1-N 2.95Å; E309-I338 VanDerWaalsContact OE1-N 3.12Å; I338-K342 WeakPolarHBondContact O-CB 3.25Å; I338-K342 PolarHBondContact O-N 3.26Å; I338-H552 WeakPolarHBondContact CB-ND1 3.27Å; I338-H552 HydrophobicContact CD1-CB 4.5Å; I338-H552 WeakPolarHBondContact CG2-CE1 3.46Å; I338-H552 WeakPolarHBondContact CG2-ND1 3.48Å; I338-N554 WeakPolarHBondContact CD1-OD1 3.37Å
339	R	76.2	Confident	85	Confident	88 Å²	88	50.7 Å²	50.7	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-47.4	175.9	-167.4	-178.7	-167.5	-177.2	7.9	112.4	T337 K342 L343	T337-R339 PolarHBondContact O-N 3.31Å; T337-R339 VanDerWaalsContact O-N 3.08Å; R339-K342 PolarHBondContact O-N 3.34Å; R339-L343 PolarHBondContact O-N 3.36Å; R339-L343 VanDerWaalsContact O-N 3.09Å
340	N	82.9	Confident	85.2	Confident	23 Å²	23	56.5 Å²	56.5	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-41.7	179.9	-69.5	-20.8	0	0	0	111.6	F329 Q335 T337 K342 L343 L344	F329-N340 HydrophobicContact CZ-CB 4.45Å; Q335-N340 PolarHBondContact O-ND2 2.76Å; T337-N340 PolarHBondContact O-N 3.47Å; T337-N340 WeakPolarHBondContact OG1-CB 3.31Å; T337-N340 PolarHBondContact OG1-N 3.28Å; T337-N340 VanDerWaalsContact OG1-N 3.09Å; T337-N340 PolarHBondContact OG1-ND2 3.4Å; N340-K342 PolarHBondContact O-N 3.41Å; N340-L343 PolarHBondContact O-N 3.43Å; N340-L344 PolarHBondContact O-N 2.73Å
341	K	86.1	Confident	85.5	Confident	25 Å²	25	47.8 Å²	47.8	11%	0.109	24%	0.238	C	C	.	.	H	α-helix	trans	-59.4	-45.1	174.1	-68.6	177.3	-176.5	179.2	0	111.9	M304 L307 F313 A336 T337 L343 L344 R345	M304-K341 HydrophobicContact CB-CD 4.48Å; M304-K341 WeakPolarHBondContact O-CD 3.47Å; M304-K341 WeakPolarHBondContact O-CE 3.35Å; M304-K341 PolarHBondContact O-NZ 3.42Å; L307-K341 PolarHBondContact O-NZ 2.93Å; F313-K341 HydrophobicContact CE1-CG 4.19Å; F313-K341 HydrophobicContact CZ-CG 3.84Å; A336-K341 WeakPolarHBondContact O-CE 3.46Å; T337-K341 WeakPolarHBondContact O-CG 3.49Å; T337-K341 PolarHBondContact O-N 3.16Å; K341-L343 VanDerWaalsContact C-N 3.35Å; K341-L343 PolarHBondContact O-N 3.2Å; K341-L344 PolarHBondContact O-N 3.12Å; K341-R345 WeakPolarHBondContact O-CB 3.45Å; K341-R345 PolarHBondContact O-N 3.33Å
342	K	82.4	Confident	85.8	Confident	105 Å²	105	50.8 Å²	50.8	46%	0.457	25%	0.251	S	S	.	.	H	α-helix	trans	-62.2	-41.4	178.2	-172.5	177.8	-179	-179.3	0	112.2	I338 R339 N340 R345 A346	I338-K342 WeakPolarHBondContact O-CB 3.25Å; I338-K342 PolarHBondContact O-N 3.26Å; R339-K342 PolarHBondContact O-N 3.34Å; N340-K342 PolarHBondContact O-N 3.41Å; K342-R345 PolarHBondContact O-N 2.89Å; K342-A346 PolarHBondContact O-N 3.2Å; K342-A346 VanDerWaalsContact O-N 3.08Å
343	L	82.7	Confident	86	Confident	69 Å²	69	46.1 Å²	46.1	36%	0.361	23%	0.234	S	C	.	.	H	α-helix	trans	-64.3	-41.3	177.5	-173.4	66.8	0	0	0	111.7	L326 F329 R339 N340 K341 K347	L326-L343 HydrophobicContact CD1-CB 4.29Å; L326-L343 HydrophobicContact CD1-CD2 3.65Å; L326-L343 HydrophobicContact CD1-CG 3.66Å; L326-L343 HydrophobicContact CD2-CD2 4.42Å; L326-L343 HydrophobicContact CD2-CG 4.18Å; F329-L343 HydrophobicContact CZ-CD2 4.22Å; R339-L343 PolarHBondContact O-N 3.36Å; R339-L343 VanDerWaalsContact O-N 3.09Å; N340-L343 PolarHBondContact O-N 3.43Å; K341-L343 VanDerWaalsContact C-N 3.35Å; K341-L343 PolarHBondContact O-N 3.2Å; L343-K347 PolarHBondContact O-N 3.38Å
344	L	88.5	Confident	86.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-45.9	175.4	-78.7	165	0	0	0	111.7	M304 F313 I315 V325 L326 F329 N340 K341 A346 K347 L348	M304-L344 HydrophobicContact SD-CB 4.36Å; F313-L344 HydrophobicContact CD2-CD1 4.42Å; F313-L344 HydrophobicContact CE1-CD1 4.15Å; F313-L344 HydrophobicContact CE2-CD1 3.43Å; F313-L344 VanDerWaalsContact CE2-CD1 3.43Å; F313-L344 HydrophobicContact CZ-CD1 3.28Å; I315-L344 HydrophobicContact CD1-CB 4.4Å; I315-L344 HydrophobicContact CD1-CD1 4.27Å; I315-L344 HydrophobicContact CD1-CD2 4.27Å; I315-L344 HydrophobicContact CG1-CD1 4.49Å; V325-L344 HydrophobicContact CB-CD2 4.01Å; V325-L344 HydrophobicContact CG1-CD2 3.94Å; L326-L344 HydrophobicContact CD1-CD2 3.52Å; L326-L344 HydrophobicContact CD1-CG 3.71Å; L326-L344 HydrophobicContact CG-CD2 3.87Å; F329-L344 HydrophobicContact CD2-CD1 4.34Å; F329-L344 HydrophobicContact CD2-CD2 4.22Å; F329-L344 HydrophobicContact CD2-CG 4.43Å; F329-L344 HydrophobicContact CE2-CD1 3.86Å; F329-L344 HydrophobicContact CE2-CD2 4.15Å; F329-L344 HydrophobicContact CE2-CG 3.89Å; N340-L344 PolarHBondContact O-N 2.73Å; K341-L344 PolarHBondContact O-N 3.12Å; L344-A346 PolarHBondContact O-N 3.19Å; L344-K347 PolarHBondContact O-N 3Å; L344-L348 WeakPolarHBondContact O-CG 3.34Å; L344-L348 PolarHBondContact O-N 2.95Å
345	R	89	Confident	86.3	Confident	75 Å²	75	53.6 Å²	53.6	28%	0.283	28%	0.277	S	S	.	.	H	α-helix	trans	-55	-50.6	177.4	-172.1	-178.5	-79.6	124.3	-3.1	111.8	E301 M304 E305 K341 K342 K347 L348 D349	E301-R345 IonicContact OE1-NE 3.53Å; E301-R345 IonicContact OE2-CZ 3.23Å; E301-R345 IonicContact OE2-NE 2.82Å; E301-R345 PolarHBondContact OE2-NE 2.92Å; E301-R345 IonicContact OE2-NH2 2.76Å; M304-R345 HydrophobicContact CE-CB 4.39Å; E305-R345 IonicContact OE1-NH2 3.34Å; K341-R345 WeakPolarHBondContact O-CB 3.45Å; K341-R345 PolarHBondContact O-N 3.33Å; K342-R345 PolarHBondContact O-N 2.89Å; R345-K347 PolarHBondContact O-N 3.49Å; R345-K347 VanDerWaalsContact O-N 3.12Å; R345-L348 PolarHBondContact O-N 2.91Å; R345-L348 VanDerWaalsContact O-N 3.13Å; R345-D349 PolarHBondContact O-N 3.07Å
346	A	87	Confident	86.6	Confident	55 Å²	55	58.3 Å²	58.3	46%	0.455	30%	0.302	S	S	.	.	H	α-helix	trans	-61.4	-24.2	178.3	0	0	0	0	0	113.7	K342 L344 N350	K342-A346 PolarHBondContact O-N 3.2Å; K342-A346 VanDerWaalsContact O-N 3.08Å; L344-A346 PolarHBondContact O-N 3.19Å; A346-N350 PolarHBondContact O-ND2 3.24Å
347	K	88.3	Confident	86.7	Confident	89 Å²	89	59.5 Å²	59.5	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-85.8	-35.5	176.9	-172.3	59.4	179.2	173.9	0	112.4	V325 L326 L343 L344 R345 D349 N350	V325-K347 HydrophobicContact CG1-CB 3.82Å; V325-K347 HydrophobicContact CG1-CG 3.51Å; V325-K347 WeakPolarHBondContact O-CG 3.08Å; L326-K347 HydrophobicContact CD2-CB 4.07Å; L326-K347 HydrophobicContact CD2-CG 4.04Å; L343-K347 PolarHBondContact O-N 3.38Å; L344-K347 PolarHBondContact O-N 3Å; R345-K347 PolarHBondContact O-N 3.49Å; R345-K347 VanDerWaalsContact O-N 3.12Å; K347-D349 VanDerWaalsContact C-N 3.26Å; K347-D349 PolarHBondContact O-N 2.98Å; K347-N350 PolarHBondContact O-N 3.26Å; K347-N350 VanDerWaalsContact O-N 3.13Å
348	L	90.8	Very high	87.3	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-37.5	175.4	-70.6	170.7	0	0	0	111.3	L282 Y293 I300 M304 I315 V325 L344 R345 N350 I351	L282-L348 HydrophobicContact CD2-CD2 4.28Å; Y293-L348 PolarHBondContact OH-O 3.09Å; I300-L348 HydrophobicContact CG2-CD1 3.73Å; M304-L348 HydrophobicContact CE-CD1 4.21Å; I315-L348 HydrophobicContact CD1-CD1 4.13Å; V325-L348 HydrophobicContact CG1-CD2 4.31Å; V325-L348 HydrophobicContact CG2-CD2 4.12Å; L344-L348 WeakPolarHBondContact O-CG 3.34Å; L344-L348 PolarHBondContact O-N 2.95Å; R345-L348 PolarHBondContact O-N 2.91Å; R345-L348 VanDerWaalsContact O-N 3.13Å; L348-N350 PolarHBondContact O-N 3.38Å; L348-I351 HydrophobicContact CD2-CD1 3.92Å; L348-I351 PolarHBondContact O-N 2.88Å
349	D	88.5	Confident	88	Confident	86 Å²	86	59.3 Å²	59.3	46%	0.46	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.2	175.5	-68.8	-34.1	0	0	0	114.5	K297 R345 K347	K297-D349 WeakPolarHBondContact CE-OD1 3.33Å; K297-D349 IonicContact NZ-OD1 3.79Å; K297-D349 PolarHBondContact NZ-OD1 2.98Å; R345-D349 PolarHBondContact O-N 3.07Å; K347-D349 VanDerWaalsContact C-N 3.26Å; K347-D349 PolarHBondContact O-N 2.98Å
350	N	88.3	Confident	88.8	Confident	123 Å²	123	56.9 Å²	56.9	66%	0.658	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	10.8	-174.1	-71.3	-46.9	0	0	0	113.8	A346 K347 L348	A346-N350 PolarHBondContact O-ND2 3.24Å; K347-N350 PolarHBondContact O-N 3.26Å; K347-N350 VanDerWaalsContact O-N 3.13Å; L348-N350 PolarHBondContact O-N 3.38Å
351	I	89.2	Confident	89.4	Confident	17 Å²	17	57 Å²	57	9%	0.087	31%	0.31	C	S	.	.			trans	-90.5	133.3	178.4	-63.6	176.8	0	0	0	109.8	V284 Y293 V325 L348	V284-I351 HydrophobicContact CG1-CG2 3.96Å; Y293-I351 HydrophobicContact CE2-CG2 4.37Å; Y293-I351 WeakPolarHBondContact OH-CB 3.24Å; V325-I351 HydrophobicContact CG1-CD1 4.11Å; V325-I351 HydrophobicContact CG2-CD1 3.99Å; L348-I351 HydrophobicContact CD2-CD1 3.92Å; L348-I351 PolarHBondContact O-N 2.88Å
352	T	88.8	Confident	89.8	Confident	90 Å²	90	55.9 Å²	55.9	55%	0.552	31%	0.306	S	S	*	.			trans	-102.8	149.7	171.4	55.8	0	0	0	0	110.8
353	S	89.9	Confident	90.4	Very high	5 Å²	5	50.9 Å²	50.9	4%	0.035	28%	0.284	C	S	.	.			trans	-100.2	111.6	-179.7	-55.6	0	0	0	0	110.8	V284 S285 Y293	V284-S353 CarbonylContact O-C 2.81Å; V284-S353 WeakPolarHBondContact O-CA 3.32Å; S285-S353 WeakPolarHBondContact O-CB 3.36Å; Y293-S353 WeakPolarHBondContact CD2-OG 3.5Å
354	E	90	Very high	91	Very high	138 Å²	138	53.3 Å²	53.3	65%	0.645	29%	0.288	S	S	*	.			trans	-151.6	152.5	-176.9	-64.9	-178.9	-172.3	0	0	110.5	V284 S319	V284-E354 PolarHBondContact O-N 3.36Å; S319-E354 WeakPolarHBondContact CB-O 3.37Å; S319-E354 PolarHBondContact OG-O 3.37Å; S319-E354 VanDerWaalsContact OG-O 3.1Å
355	G	90.7	Very high	91.3	Very high	34 Å²	34	56 Å²	56	35%	0.351	30%	0.302	S	S	.	.	S	Bend	trans	90.9	-168.4	176.4	0	0	0	0	0	114.5	S285 G286	S285-G355 WeakPolarHBondContact CA-O 3.19Å; S285-G355 WeakPolarHBondContact CB-O 3.28Å; G286-G355 PolarHBondContact N-O 3.49Å
356	I	89.9	Confident	91.6	Very high	133 Å²	133	52.4 Å²	52.4	68%	0.682	29%	0.288	S	S	*	.			trans	-110.2	137.2	-176	-58.5	171.8	0	0	0	109.6	S319 D320 N358	S319-I356 CarbonylContact C-O 3.59Å; S319-I356 WeakPolarHBondContact CA-O 3.41Å; D320-I356 PolarHBondContact N-O 3.31Å; D320-I356 VanDerWaalsContact N-O 3.16Å; D320-I356 PolarHBondContact OD1-N 2.84Å; I356-N358 PolarHBondContact O-N 3.09Å
357	A	90.9	Very high	91.9	Very high	25 Å²	25	49.9 Å²	49.9	21%	0.207	27%	0.267	C	S	.	.			trans	-67.6	109.7	-179.1	0	0	0	0	0	113.5	F318 Y359	F318-A357 HydrophobicContact CD2-CB 4.48Å; F318-A357 HydrophobicContact CE2-CB 4.04Å; A357-Y359 HydrophobicContact CB-CD2 4.14Å; A357-Y359 HydrophobicContact CB-CE2 3.73Å; A357-Y359 PolarHBondContact O-N 3.48Å
358	N	94	Very high	92.1	Very high	60 Å²	60	50.5 Å²	50.5	32%	0.321	27%	0.271	S	S	.	.			trans	-92.4	76.5	175.8	-169.4	-12.1	0	0	0	112.5	S319 D320 I356 P360 A361 A362	S319-N358 WeakPolarHBondContact O-CB 2.96Å; S319-N358 PolarHBondContact O-N 3.26Å; D320-N358 WeakPolarHBondContact O-CB 3.07Å; D320-N358 PolarHBondContact O-ND2 2.82Å; I356-N358 PolarHBondContact O-N 3.09Å; N358-P360 WeakPolarHBondContact OD1-CD 3.46Å; N358-A361 HydrophobicContact CB-CB 4.46Å; N358-A361 PolarHBondContact O-N 2.62Å; N358-A361 WeakPolarHBondContact OD1-CB 3.39Å; N358-A361 PolarHBondContact OD1-N 3.1Å; N358-A362 PolarHBondContact O-N 3.44Å
359	Y	93.6	Very high	92.1	Very high	6 Å²	6	50.8 Å²	50.8	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-54.7	-47.2	179.1	-78	-78.3	0	0	0	115.5	D283 F318 A357 A361 A362 L363 L388 T390 G392 A393 Y397	D283-Y359 PolarHBondContact OD2-OH 3.05Å; F318-Y359 HydrophobicContact CE2-CD1 4.06Å; F318-Y359 AromaticContact CE2-CE1 3.9Å; F318-Y359 HydrophobicContact CE2-CE1 3.9Å; F318-Y359 HydrophobicContact CE2-CE2 4.47Å; F318-Y359 HydrophobicContact CE2-CG 4.38Å; F318-Y359 HydrophobicContact CZ-CD1 4.18Å; F318-Y359 AromaticContact CZ-CE1 3.75Å; F318-Y359 HydrophobicContact CZ-CE1 3.75Å; A357-Y359 HydrophobicContact CB-CD2 4.14Å; A357-Y359 HydrophobicContact CB-CE2 3.73Å; A357-Y359 PolarHBondContact O-N 3.48Å; Y359-A361 VanDerWaalsContact C-N 3.29Å; Y359-A361 PolarHBondContact O-N 2.64Å; Y359-A362 PolarHBondContact O-N 2.94Å; Y359-L363 WeakPolarHBondContact O-CB 2.89Å; Y359-L363 WeakPolarHBondContact O-CG 2.97Å; Y359-L363 PolarHBondContact O-N 3.32Å; Y359-L388 HydrophobicContact CE1-CD1 4.01Å; Y359-L388 HydrophobicContact CE1-CD2 4.07Å; Y359-T390 VanDerWaalsContact OH-CB 3.26Å; Y359-T390 WeakPolarHBondContact OH-CB 3.32Å; Y359-T390 WeakPolarHBondContact OH-CG2 3.39Å; Y359-T390 PolarHBondContact OH-OG1 3.38Å; Y359-G392 PolarHBondContact OH-O 2.91Å; Y359-A393 HydrophobicContact CE1-CB 4.2Å; Y359-A393 HydrophobicContact CE2-CB 4.13Å; Y359-Y397 WeakPolarHBondContact CB-OH 3.14Å; Y359-Y397 HydrophobicContact CD1-CE2 4.07Å; Y359-Y397 HydrophobicContact CD2-CE2 4.09Å; Y359-Y397 WeakPolarHBondContact CD2-OH 3.29Å; Y359-Y397 AromaticContact CG-CE2 3.57Å; Y359-Y397 HydrophobicContact CG-CE2 3.57Å; Y359-Y397 AromaticContact CG-CZ 3.79Å
360	P	94.1	Very high	92.2	Very high	36 Å²	36	46.8 Å²	46.8	23%	0.234	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-38.7	-178	-25.9	35.5	0	0	0	113.2	N358 R364 Y397 I400	N358-P360 WeakPolarHBondContact OD1-CD 3.46Å; P360-R364 VanDerWaalsContact O-CG 3.24Å; P360-R364 WeakPolarHBondContact O-CG 3.18Å; P360-R364 PolarHBondContact O-N 2.62Å; P360-Y397 HydrophobicContact CG-CD1 4.04Å; P360-Y397 HydrophobicContact CG-CE1 3.78Å; P360-I400 HydrophobicContact CB-CD1 3.99Å
361	A	94.2	Very high	92.1	Very high	26 Å²	26	43.2 Å²	43.2	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-70.2	-44.1	178.3	0	0	0	0	0	111.5	P322 N358 Y359 M365	P322-A361 HydrophobicContact CG-CB 3.91Å; N358-A361 HydrophobicContact CB-CB 4.46Å; N358-A361 PolarHBondContact O-N 2.62Å; N358-A361 WeakPolarHBondContact OD1-CB 3.39Å; N358-A361 PolarHBondContact OD1-N 3.1Å; Y359-A361 VanDerWaalsContact C-N 3.29Å; Y359-A361 PolarHBondContact O-N 2.64Å; A361-M365 PolarHBondContact O-N 2.82Å; A361-M365 VanDerWaalsContact O-N 3.13Å
362	A	94.9	Very high	92	Very high	1 Å²	1	48 Å²	48	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-45.5	179.7	0	0	0	0	0	112.4	L281 L316 F318 P322 N358 Y359 M365 A366	L281-A362 HydrophobicContact CD2-CB 4.35Å; L316-A362 HydrophobicContact CD2-CB 4.36Å; F318-A362 HydrophobicContact CB-CB 3.77Å; F318-A362 HydrophobicContact CD1-CB 3.86Å; F318-A362 HydrophobicContact CD2-CB 3.9Å; F318-A362 HydrophobicContact CE1-CB 4.47Å; F318-A362 HydrophobicContact CE2-CB 4.48Å; F318-A362 HydrophobicContact CG-CB 3.56Å; P322-A362 HydrophobicContact CB-CB 4.19Å; N358-A362 PolarHBondContact O-N 3.44Å; Y359-A362 PolarHBondContact O-N 2.94Å; A362-M365 PolarHBondContact O-N 3.42Å; A362-A366 WeakPolarHBondContact O-CB 3.14Å; A362-A366 PolarHBondContact O-N 3.49Å
363	L	95.5	Very high	91.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-44.9	179.4	-72.7	170.6	0	0	0	111.9	L281 Y359 A366 F367 Y397 I400 F401 F412	L281-L363 HydrophobicContact CD1-CD2 3.88Å; Y359-L363 WeakPolarHBondContact O-CB 2.89Å; Y359-L363 WeakPolarHBondContact O-CG 2.97Å; Y359-L363 PolarHBondContact O-N 3.32Å; L363-A366 PolarHBondContact O-N 2.98Å; L363-F367 WeakPolarHBondContact O-CD2 3.17Å; L363-F367 PolarHBondContact O-N 3.37Å; L363-Y397 HydrophobicContact CD1-CD2 3.91Å; L363-Y397 HydrophobicContact CD1-CG 4.02Å; L363-I400 HydrophobicContact CB-CD1 4.33Å; L363-I400 HydrophobicContact CB-CG2 4.15Å; L363-I400 HydrophobicContact CD1-CD1 4.44Å; L363-F401 HydrophobicContact CD1-CE2 4.48Å; L363-F401 HydrophobicContact CD2-CZ 4.27Å; L363-F412 HydrophobicContact CD2-CE2 3.69Å; L363-F412 HydrophobicContact CD2-CZ 3.96Å
364	R	95.3	Very high	91.1	Very high	119 Å²	119	50 Å²	50	45%	0.449	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-49.1	176.8	-72.3	179	-164.7	129.9	1.9	111.6	P360 A366 F367 E368 I400 Y404	P360-R364 VanDerWaalsContact O-CG 3.24Å; P360-R364 WeakPolarHBondContact O-CG 3.18Å; P360-R364 PolarHBondContact O-N 2.62Å; R364-A366 VanDerWaalsContact C-N 3.31Å; R364-A366 PolarHBondContact O-N 3.28Å; R364-F367 PolarHBondContact O-N 3.06Å; R364-E368 WeakPolarHBondContact O-CG 3.49Å; R364-E368 PolarHBondContact O-N 2.93Å; R364-I400 HydrophobicContact CG-CD1 4.43Å; R364-I400 HydrophobicContact CG-CG2 4.39Å; R364-Y404 HydrophobicContact CB-CE2 4.49Å; R364-Y404 HydrophobicContact CG-CE2 4.02Å
365	M	94.3	Very high	90.5	Very high	56 Å²	56	50.6 Å²	50.6	28%	0.276	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-38.9	179.2	-173.9	176.3	-67.7	0	0	112.1	L316 P322 F324 A361 A362 V369	L316-M365 HydrophobicContact CD1-CG 4.31Å; L316-M365 HydrophobicContact CD1-SD 3.46Å; L316-M365 WeakPolarHBondContact CD1-SD 3.28Å; L316-M365 HydrophobicContact CD2-CB 4.2Å; L316-M365 HydrophobicContact CD2-CG 4.29Å; L316-M365 HydrophobicContact CD2-SD 4.21Å; L316-M365 HydrophobicContact CG-SD 4.48Å; P322-M365 HydrophobicContact CB-CE 4.36Å; P322-M365 HydrophobicContact CB-SD 4.12Å; P322-M365 HydrophobicContact CG-CE 3.75Å; P322-M365 HydrophobicContact CG-SD 4.13Å; F324-M365 HydrophobicContact CE2-CG 4.45Å; F324-M365 HydrophobicContact CE2-SD 3.81Å; F324-M365 HydrophobicContact CZ-CG 4.22Å; F324-M365 HydrophobicContact CZ-SD 4.06Å; A361-M365 PolarHBondContact O-N 2.82Å; A361-M365 VanDerWaalsContact O-N 3.13Å; A362-M365 PolarHBondContact O-N 3.42Å; M365-V369 WeakPolarHBondContact O-CG2 3.03Å; M365-V369 PolarHBondContact O-N 3.48Å
366	A	94.8	Very high	89.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-45.1	176.1	0	0	0	0	0	112.4	V279 L281 A362 L363 R364 V369 V370 I386	V279-A366 HydrophobicContact CG1-CB 3.85Å; L281-A366 HydrophobicContact CD1-CB 4.2Å; L281-A366 HydrophobicContact CD2-CB 3.78Å; L281-A366 HydrophobicContact CG-CB 4.24Å; A362-A366 WeakPolarHBondContact O-CB 3.14Å; A362-A366 PolarHBondContact O-N 3.49Å; L363-A366 PolarHBondContact O-N 2.98Å; R364-A366 VanDerWaalsContact C-N 3.31Å; R364-A366 PolarHBondContact O-N 3.28Å; A366-V369 PolarHBondContact O-N 3.22Å; A366-V370 WeakPolarHBondContact O-CG2 3.27Å; A366-V370 PolarHBondContact O-N 3.25Å; A366-V370 VanDerWaalsContact O-N 3.17Å; A366-I386 HydrophobicContact CB-CD1 4.12Å; A366-I386 HydrophobicContact CB-CG2 4.4Å
367	F	94.6	Very high	87.9	Confident	1 Å²	1	52.9 Å²	52.9	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-63	-42.5	176.9	-80.2	-63.3	0	0	0	112.3	L363 R364 V369 V370 V371 I386 I400 F401 Y404 N405 I410	L363-F367 WeakPolarHBondContact O-CD2 3.17Å; L363-F367 PolarHBondContact O-N 3.37Å; R364-F367 PolarHBondContact O-N 3.06Å; F367-V369 PolarHBondContact O-N 3.49Å; F367-V370 PolarHBondContact O-N 3.37Å; F367-V371 WeakPolarHBondContact O-CB 3.18Å; F367-V371 VanDerWaalsContact O-CG2 3.25Å; F367-V371 WeakPolarHBondContact O-CG2 3.45Å; F367-V371 PolarHBondContact O-N 3.35Å; F367-I386 HydrophobicContact CD1-CD1 3.64Å; F367-I386 HydrophobicContact CD2-CD1 4.43Å; F367-I386 HydrophobicContact CE1-CD1 3.55Å; F367-I386 HydrophobicContact CE2-CD1 4.34Å; F367-I386 HydrophobicContact CG-CD1 4.08Å; F367-I386 HydrophobicContact CZ-CD1 3.91Å; F367-I400 HydrophobicContact CD2-CG2 4.01Å; F367-I400 HydrophobicContact CE2-CG2 4.08Å; F367-F401 HydrophobicContact CE2-CD1 4.04Å; F367-F401 HydrophobicContact CE2-CE1 4.05Å; F367-F401 AromaticContact CZ-CD1 3.65Å; F367-F401 HydrophobicContact CZ-CD1 3.65Å; F367-F401 AromaticContact CZ-CE1 3.72Å; F367-F401 HydrophobicContact CZ-CE1 3.72Å; F367-Y404 HydrophobicContact CB-CD1 3.62Å; F367-Y404 HydrophobicContact CB-CD2 4.16Å; F367-Y404 HydrophobicContact CB-CE1 4.16Å; F367-Y404 HydrophobicContact CB-CG 3.6Å; F367-Y404 HydrophobicContact CD1-CG 4.49Å; F367-Y404 HydrophobicContact CD2-CD2 4.13Å; F367-Y404 HydrophobicContact CD2-CG 4.12Å; F367-Y404 HydrophobicContact CG-CD1 4.34Å; F367-Y404 HydrophobicContact CG-CD2 4.3Å; F367-Y404 AromaticContact CG-CG 3.84Å; F367-Y404 HydrophobicContact CG-CG 3.84Å; F367-N405 HydrophobicContact CE1-CB 3.9Å; F367-N405 HydrophobicContact CZ-CB 4.27Å; F367-I410 HydrophobicContact CD1-CD1 3.88Å; F367-I410 HydrophobicContact CE1-CD1 4.1Å; F367-I410 HydrophobicContact CE1-CG2 4.36Å
368	E	92.6	Very high	86.1	Confident	102 Å²	102	60.1 Å²	60.1	48%	0.477	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-47.9	177.5	-74.4	169	-178.8	0	0	111.9	R364 V370 V371 E372 Y404	R364-E368 WeakPolarHBondContact O-CG 3.49Å; R364-E368 PolarHBondContact O-N 2.93Å; E368-V370 PolarHBondContact O-N 3.49Å; E368-V371 PolarHBondContact O-N 3.02Å; E368-E372 WeakPolarHBondContact O-CB 3.33Å; E368-E372 PolarHBondContact O-N 3.05Å; E368-Y404 HydrophobicContact CG-CE1 4.18Å; E368-Y404 PolarHBondContact OE1-OH 3.19Å
369	V	91	Very high	84.2	Confident	7 Å²	7	59.6 Å²	59.6	4%	0.042	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-41.7	178.8	173.6	0	0	0	0	112.4	V279 F324 L333 M365 A366 F367 A373	V279-V369 HydrophobicContact CG2-CG1 4.2Å; F324-V369 HydrophobicContact CE1-CG2 4.18Å; F324-V369 HydrophobicContact CZ-CG2 3.68Å; L333-V369 HydrophobicContact CD2-CG1 3.69Å; L333-V369 HydrophobicContact CG-CG1 3.99Å; M365-V369 WeakPolarHBondContact O-CG2 3.03Å; M365-V369 PolarHBondContact O-N 3.48Å; A366-V369 PolarHBondContact O-N 3.22Å; F367-V369 PolarHBondContact O-N 3.49Å; V369-A373 WeakPolarHBondContact O-CB 3.44Å; V369-A373 PolarHBondContact O-N 3.18Å
370	V	89.4	Confident	82.5	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-68.5	-40.6	-179.1	172.4	0	0	0	0	111.4	V279 A366 F367 E368 A373 R374 I386 I410	V279-V370 HydrophobicContact CB-CG2 4.22Å; V279-V370 HydrophobicContact CG2-CG2 3.5Å; V279-V370 VanDerWaalsContact CG2-CG2 3.5Å; A366-V370 WeakPolarHBondContact O-CG2 3.27Å; A366-V370 PolarHBondContact O-N 3.25Å; A366-V370 VanDerWaalsContact O-N 3.17Å; F367-V370 PolarHBondContact O-N 3.37Å; E368-V370 PolarHBondContact O-N 3.49Å; V370-A373 PolarHBondContact O-N 3.44Å; V370-R374 PolarHBondContact O-N 3.09Å; V370-R374 VanDerWaalsContact O-N 3.14Å; V370-I386 HydrophobicContact CG2-CD1 4.49Å; V370-I386 HydrophobicContact CG2-CG1 4.16Å; V370-I410 HydrophobicContact CB-CD1 4.47Å; V370-I410 HydrophobicContact CG1-CD1 3.76Å; V370-I410 HydrophobicContact CG1-CG1 4.12Å; V370-I410 HydrophobicContact CG1-CG2 4.38Å
371	V	87.2	Confident	81	Confident	49 Å²	49	59.9 Å²	59.9	30%	0.297	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-46.6	178.5	171.8	0	0	0	0	110.5	F367 E368 A373 R374 E375 I410	F367-V371 WeakPolarHBondContact O-CB 3.18Å; F367-V371 VanDerWaalsContact O-CG2 3.25Å; F367-V371 WeakPolarHBondContact O-CG2 3.45Å; F367-V371 PolarHBondContact O-N 3.35Å; E368-V371 PolarHBondContact O-N 3.02Å; V371-A373 VanDerWaalsContact C-N 3.31Å; V371-A373 PolarHBondContact O-N 3.5Å; V371-R374 WeakPolarHBondContact O-CB 3.2Å; V371-R374 PolarHBondContact O-N 2.89Å; V371-R374 VanDerWaalsContact O-N 3.15Å; V371-E375 PolarHBondContact O-N 3.42Å; V371-I410 HydrophobicContact CG2-CD1 4.47Å
372	E	86.3	Confident	80.1	Confident	117 Å²	117	59.7 Å²	59.7	55%	0.547	29%	0.29	S	S	.	.	H	α-helix	trans	-59.5	-41.9	176.8	-174.6	177.9	177.3	0	0	111.9	E368 R374 E375 S376	E368-E372 WeakPolarHBondContact O-CB 3.33Å; E368-E372 PolarHBondContact O-N 3.05Å; E372-R374 VanDerWaalsContact C-N 3.33Å; E372-R374 PolarHBondContact O-N 3.41Å; E372-E375 PolarHBondContact O-N 3.31Å; E372-S376 WeakPolarHBondContact O-CB 3.02Å; E372-S376 PolarHBondContact O-N 3.27Å
373	A	81.5	Confident	79.6	Confident	5 Å²	5	60 Å²	60	4%	0.041	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-41.1	176.7	0	0	0	0	0	112.4	L333 V369 V370 V371 S376	L333-A373 HydrophobicContact CD1-CB 3.55Å; L333-A373 HydrophobicContact CG-CB 4.01Å; V369-A373 WeakPolarHBondContact O-CB 3.44Å; V369-A373 PolarHBondContact O-N 3.18Å; V370-A373 PolarHBondContact O-N 3.44Å; V371-A373 VanDerWaalsContact C-N 3.31Å; V371-A373 PolarHBondContact O-N 3.5Å; A373-S376 PolarHBondContact O-OG 2.74Å
374	R	78.2	Confident	79.4	Confident	131 Å²	131	60.6 Å²	60.6	49%	0.494	30%	0.295	S	S	.	.	H	α-helix	trans	-65.5	-40.8	177.9	-174.6	178.9	172.5	-175.8	-2.6	112	V370 V371 E372 S409	V370-R374 PolarHBondContact O-N 3.09Å; V370-R374 VanDerWaalsContact O-N 3.14Å; V371-R374 WeakPolarHBondContact O-CB 3.2Å; V371-R374 PolarHBondContact O-N 2.89Å; V371-R374 VanDerWaalsContact O-N 3.15Å; E372-R374 VanDerWaalsContact C-N 3.33Å; E372-R374 PolarHBondContact O-N 3.41Å; R374-S409 PolarHBondContact NH1-OG 2.86Å; R374-S409 VanDerWaalsContact NH1-OG 3.17Å
375	E	76.4	Confident	79.3	Confident	151 Å²	151	55 Å²	55	71%	0.706	27%	0.274	S	S	*	.	H	α-helix	trans	-72.9	-35.2	-178.6	-70.7	-177.2	170.8	0	0	113.1	V371 E372 Q377	V371-E375 PolarHBondContact O-N 3.42Å; E372-E375 PolarHBondContact O-N 3.31Å; E375-Q377 PolarHBondContact O-N 3.49Å; E375-Q377 VanDerWaalsContact O-N 3.07Å
376	S	67.7	Low	79.3	Confident	51 Å²	51	52.3 Å²	52.3	36%	0.357	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.2	-174.5	69.6	0	0	0	0	115	E372 A373 K378	E372-S376 WeakPolarHBondContact O-CB 3.02Å; E372-S376 PolarHBondContact O-N 3.27Å; A373-S376 PolarHBondContact O-OG 2.74Å; S376-K378 PolarHBondContact O-N 3.03Å
377	Q	58.8	Low	79.4	Confident	164 Å²	164	52.3 Å²	52.3	77%	0.766	26%	0.261	S	S	*	.	S	Bend	trans	50	-18.9	-172.3	-72.8	-167	-14.3	0	0	117.1	E375 N379	E375-Q377 PolarHBondContact O-N 3.49Å; E375-Q377 VanDerWaalsContact O-N 3.07Å; Q377-N379 VanDerWaalsContact C-N 3.32Å
378	K	54	Low	79.5	Confident	178 Å²	178	52.3 Å²	52.3	77%	0.774	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.9	178.6	-70	-179.6	178.3	-179	0	112.3	S376	S376-K378 PolarHBondContact O-N 3.03Å
379	N	54.3	Low	79.7	Confident	48 Å²	48	47.4 Å²	47.4	26%	0.257	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	31.8	-177.1	-63.2	-25	0	0	0	112.5	N277 F312 Q377 G381	N277-N379 PolarHBondContact OD1-O 2.76Å; F312-N379 HydrophobicContact CD1-CB 4.09Å; F312-N379 HydrophobicContact CE1-CB 4.17Å; Q377-N379 VanDerWaalsContact C-N 3.32Å; N379-G381 PolarHBondContact O-N 2.83Å
380	A	57.2	Low	79.8	Confident	39 Å²	39	47.1 Å²	47.1	32%	0.322	24%	0.236	S	C	.	.			trans	-80.4	85.1	-167.6	0	0	0	0	0	112.5
381	G	62.8	Low	79.9	Confident	9 Å²	9	47.9 Å²	47.9	9%	0.093	24%	0.24	C	C	.	.			trans	-59.1	148.5	146.9	0	0	0	0	0	109.9	N277 N379	N277-G381 PolarHBondContact ND2-N 3.36Å; N277-G381 PolarHBondContact ND2-O 3.43Å; N277-G381 VanDerWaalsContact ND2-O 3.14Å; N277-G381 VanDerWaalsContact OD1-CA 3.24Å; N277-G381 WeakPolarHBondContact OD1-CA 3.02Å; N277-G381 PolarHBondContact OD1-N 3.16Å; N379-G381 PolarHBondContact O-N 2.83Å
382	C	75.8	Confident	80.1	Confident	23 Å²	23	45.9 Å²	45.9	16%	0.155	23%	0.23	C	C	.	.	S	Bend	trans	-69.7	-51.3	-176.3	177.5	0	0	0	0	112.2	A275 C1130	A275-C382 WeakPolarHBondContact O-CA 3.26Å; A275-C382 WeakPolarHBondContact O-CB 3.44Å; A275-C382 PolarHBondContact O-N 3.4Å; C382-C1130 WeakPolarHBondContact CA-SG 3.48Å; C382-C1130 HydrophobicContact CB-CB 3.62Å; C382-C1130 WeakPolarHBondContact CB-SG 3.37Å; C382-C1130 VanDerWaalsContact SG-C 3.55Å; C382-C1130 WeakPolarHBondContact SG-CA 3.25Å; C382-C1130 WeakPolarHBondContact SG-CB 3.27Å; C382-C1130 CovalentContact SG-SG 2.01Å; C382-C1130 PolarHBondContact SG-SG 3.32Å
383	H	84.3	Confident	80.1	Confident	8 Å²	8	40.4 Å²	40.4	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	148	179.6	-60.2	155.1	0	0	0	111.2	T273 A275 K276 N277 M458 Y1131	T273-H383 PolarHBondContact O-ND1 3.29Å; A275-H383 PolarHBondContact O-N 3.25Å; K276-H383 CarbonylContact C-O 3.56Å; K276-H383 WeakPolarHBondContact CA-O 3.27Å; N277-H383 PolarHBondContact N-O 2.65Å; H383-M458 HydrophobicContact CB-CE 3.48Å; H383-M458 VanDerWaalsContact CB-CE 3.48Å; H383-Y1131 PolarHBondContact NE2-O 2.74Å
384	S	90	Very high	80.3	Confident	12 Å²	12	45.1 Å²	45.1	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.7	174.3	-67.2	0	0	0	0	110.9	N277 R411	N277-S384 CarbonylContact O-C 3.52Å; N277-S384 WeakPolarHBondContact O-CA 3.33Å; S384-R411 PolarHBondContact O-N 2.88Å
385	A	93	Very high	80.7	Confident	1 Å²	1	43 Å²	43	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.7	177.9	0	0	0	0	0	112.2	N277 I278 V279 R411 F413	N277-A385 PolarHBondContact O-N 2.88Å; I278-A385 WeakPolarHBondContact CA-O 3.34Å; I278-A385 HydrophobicContact CG1-CB 4.33Å; V279-A385 PolarHBondContact N-O 3.13Å; A385-R411 CarbonylContact C-O 3.52Å; A385-R411 VanDerWaalsContact CA-O 3.25Å; A385-R411 WeakPolarHBondContact CA-O 3.36Å; A385-R411 HydrophobicContact CB-CB 4.37Å; A385-F413 HydrophobicContact CB-CD2 4.07Å; A385-F413 HydrophobicContact CB-CE2 3.87Å
386	I	96.2	Very high	81.2	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.8	169.6	-61.1	174.1	0	0	0	107.1	V279 L281 A366 F367 V370 I410 R411 F412 F413	V279-I386 WeakPolarHBondContact O-CA 3.44Å; L281-I386 HydrophobicContact CD1-CG2 3.62Å; L281-I386 HydrophobicContact CG-CG2 4.02Å; A366-I386 HydrophobicContact CB-CD1 4.12Å; A366-I386 HydrophobicContact CB-CG2 4.4Å; F367-I386 HydrophobicContact CD1-CD1 3.64Å; F367-I386 HydrophobicContact CD2-CD1 4.43Å; F367-I386 HydrophobicContact CE1-CD1 3.55Å; F367-I386 HydrophobicContact CE2-CD1 4.34Å; F367-I386 HydrophobicContact CG-CD1 4.08Å; F367-I386 HydrophobicContact CZ-CD1 3.91Å; V370-I386 HydrophobicContact CG2-CD1 4.49Å; V370-I386 HydrophobicContact CG2-CG1 4.16Å; I386-I410 HydrophobicContact CD1-CG2 4.16Å; I386-I410 HydrophobicContact CG1-CG2 4.05Å; I386-R411 PolarHBondContact N-O 3.49Å; I386-F412 HydrophobicContact CB-CD2 3.89Å; I386-F412 HydrophobicContact CB-CE2 4.15Å; I386-F412 HydrophobicContact CG2-CD2 3.95Å; I386-F412 HydrophobicContact CG2-CE2 3.67Å; I386-F412 CarbonylContact O-C 3.56Å; I386-F412 WeakPolarHBondContact O-CA 3.26Å; I386-F413 PolarHBondContact O-N 2.96Å
387	M	96.7	Very high	82.4	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	113.3	-178.9	-59.6	-172.3	174.1	0	0	109.4	I278 V279 I280 L281 I303 F413 Y415 Y454	I278-M387 HydrophobicContact CD1-CE 3.69Å; I278-M387 HydrophobicContact CG1-CE 4.23Å; I278-M387 HydrophobicContact CG2-CE 4.24Å; I278-M387 HydrophobicContact CG2-CG 4.07Å; I278-M387 HydrophobicContact CG2-SD 3.94Å; V279-M387 PolarHBondContact O-N 2.9Å; I280-M387 CarbonylContact C-O 3.1Å; I280-M387 WeakPolarHBondContact CA-O 3.45Å; L281-M387 PolarHBondContact N-O 3.03Å; I303-M387 HydrophobicContact CD1-SD 4.06Å; I303-M387 HydrophobicContact CG1-SD 4.46Å; I303-M387 HydrophobicContact CG2-SD 3.86Å; M387-F413 CarbonylContact C-O 3.56Å; M387-F413 WeakPolarHBondContact CA-O 3.48Å; M387-F413 HydrophobicContact CB-CB 4.48Å; M387-F413 HydrophobicContact CE-CD2 4.26Å; M387-F413 HydrophobicContact CG-CB 4.09Å; M387-F413 HydrophobicContact CG-CD2 4.23Å; M387-Y415 HydrophobicContact CB-CE2 4.31Å; M387-Y415 HydrophobicContact SD-CE2 4.36Å; M387-Y454 HydrophobicContact CE-CD1 4.21Å; M387-Y454 HydrophobicContact CE-CD2 4.07Å; M387-Y454 HydrophobicContact CE-CE1 4.47Å; M387-Y454 HydrophobicContact CE-CE2 4.33Å; M387-Y454 HydrophobicContact CE-CG 4.08Å
388	L	96.5	Very high	83.9	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.4	177.1	175.1	65	0	0	0	110.8	L281 F318 Y359 T390 F412 F413 S414 Y415 M430	L281-L388 HydrophobicContact CB-CD1 3.95Å; L281-L388 HydrophobicContact CD1-CD1 4.49Å; F318-L388 HydrophobicContact CE1-CD1 4.01Å; F318-L388 HydrophobicContact CZ-CD1 3.87Å; Y359-L388 HydrophobicContact CE1-CD1 4.01Å; Y359-L388 HydrophobicContact CE1-CD2 4.07Å; L388-T390 HydrophobicContact CD1-CG2 4.3Å; L388-T390 HydrophobicContact CD2-CG2 3.93Å; L388-T390 HydrophobicContact CG-CG2 3.91Å; L388-F412 HydrophobicContact CB-CE1 3.95Å; L388-F412 HydrophobicContact CB-CZ 3.77Å; L388-F412 HydrophobicContact CD2-CE1 4.23Å; L388-F412 HydrophobicContact CD2-CZ 4.12Å; L388-F413 PolarHBondContact N-O 3.33Å; L388-S414 CarbonylContact O-C 3.59Å; L388-S414 WeakPolarHBondContact O-CA 3.4Å; L388-Y415 PolarHBondContact O-N 3.43Å; L388-M430 HydrophobicContact CD2-CE 3.82Å
389	I	95.6	Very high	85.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	112.3	174.5	-57.5	175.5	0	0	0	107.8	I280 L281 L282 D283 A296 T299 I300 I303 Y415 I417	I280-I389 HydrophobicContact CG2-CD1 3.84Å; L281-I389 PolarHBondContact O-N 3.21Å; L282-I389 HydrophobicContact CD1-CB 4.45Å; L282-I389 HydrophobicContact CD1-CG2 4.28Å; D283-I389 WeakPolarHBondContact CB-O 3.31Å; D283-I389 PolarHBondContact N-O 2.95Å; A296-I389 HydrophobicContact CB-CG2 3.83Å; T299-I389 HydrophobicContact CG2-CD1 4.17Å; I300-I389 HydrophobicContact CD1-CD1 4.09Å; I300-I389 HydrophobicContact CG1-CD1 3.35Å; I303-I389 HydrophobicContact CD1-CD1 4.14Å; I389-Y415 HydrophobicContact CG1-CD2 4.04Å; I389-I417 HydrophobicContact CG2-CD1 3.31Å; I389-I417 HydrophobicContact CG2-CG1 4.23Å
390	T	94.2	Very high	87.6	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	165.1	-175.5	-179.7	0	0	0	0	111.5	D283 Y359 L388 G392 Y415 L416 I417 V427	D283-T390 PolarHBondContact OD2-OG1 3.24Å; Y359-T390 VanDerWaalsContact OH-CB 3.26Å; Y359-T390 WeakPolarHBondContact OH-CB 3.32Å; Y359-T390 WeakPolarHBondContact OH-CG2 3.39Å; Y359-T390 PolarHBondContact OH-OG1 3.38Å; L388-T390 HydrophobicContact CD1-CG2 4.3Å; L388-T390 HydrophobicContact CD2-CG2 3.93Å; L388-T390 HydrophobicContact CG-CG2 3.91Å; T390-G392 PolarHBondContact OG1-N 3.3Å; T390-G392 PolarHBondContact OG1-O 3.29Å; T390-G392 VanDerWaalsContact OG1-O 3.08Å; T390-Y415 PolarHBondContact N-O 3.22Å; T390-Y415 VanDerWaalsContact N-O 3.13Å; T390-L416 CarbonylContact O-C 3.57Å; T390-L416 WeakPolarHBondContact O-CA 3.33Å; T390-I417 PolarHBondContact O-N 3.34Å; T390-V427 HydrophobicContact CG2-CG2 4.39Å
391	D	91.6	Very high	89.3	Confident	18 Å²	18	28.6 Å²	28.6	10%	0.096	15%	0.154	C	C	.	.	S	Bend	trans	-89.5	-9.7	166.5	64.6	-21	0	0	0	114.2	S287 M288 R292 V421	S287-D391 WeakPolarHBondContact CB-OD2 3.31Å; S287-D391 PolarHBondContact OG-OD1 3.27Å; S287-D391 PolarHBondContact OG-OD2 3.11Å; M288-D391 HydrophobicContact SD-CB 3.58Å; M288-D391 VanDerWaalsContact SD-CB 3.58Å; R292-D391 IonicContact CZ-OD2 3.01Å; R292-D391 IonicContact NH1-OD2 3.22Å; R292-D391 PolarHBondContact NH1-OD2 3.4Å; D391-V421 WeakPolarHBondContact O-CG1 3.07Å
392	G	90	Very high	90.7	Very high	7 Å²	7	31.1 Å²	31.1	7%	0.072	17%	0.165	C	C	.	.			trans	171.2	157.7	177.3	0	0	0	0	0	114.3	Y359 T390 E423	Y359-G392 PolarHBondContact OH-O 2.91Å; T390-G392 PolarHBondContact OG1-N 3.3Å; T390-G392 PolarHBondContact OG1-O 3.29Å; T390-G392 VanDerWaalsContact OG1-O 3.08Å; G392-E423 WeakPolarHBondContact CA-OE2 3.36Å
393	A	86.7	Confident	91.5	Very high	1 Å²	1	37 Å²	37	1%	0.008	19%	0.19	C	C	.	.			trans	-131	136.6	173.3	0	0	0	0	0	111.5	Y359 D395 E423 V427 M430	Y359-A393 HydrophobicContact CE1-CB 4.2Å; Y359-A393 HydrophobicContact CE2-CB 4.13Å; A393-D395 VanDerWaalsContact C-N 3.35Å; A393-D395 PolarHBondContact O-N 2.9Å; A393-E423 WeakPolarHBondContact CA-OE2 3.33Å; A393-E423 PolarHBondContact N-OE2 3Å; A393-V427 HydrophobicContact CB-CG2 3.64Å; A393-M430 HydrophobicContact CB-CE 3.65Å
394	T	85.3	Confident	91.8	Very high	105 Å²	105	39.6 Å²	39.6	64%	0.644	20%	0.2	S	C	*	.	S	Bend	trans	-74.4	-22.1	-175.1	59.9	0	0	0	0	114.3	Y397	T394-Y397 PolarHBondContact OG1-OH 3.39Å
395	D	87.8	Confident	91.8	Very high	85 Å²	85	39 Å²	39	46%	0.455	20%	0.196	S	C	.	.			trans	-149.7	168.7	-175.1	-161.8	1.9	0	0	0	110.9	A393 Y397	A393-D395 VanDerWaalsContact C-N 3.35Å; A393-D395 PolarHBondContact O-N 2.9Å; D395-Y397 HydrophobicContact CB-CD1 4.38Å; D395-Y397 HydrophobicContact CB-CE1 4Å; D395-Y397 HydrophobicContact CB-CE2 4.38Å; D395-Y397 WeakPolarHBondContact O-CD2 3.35Å; D395-Y397 VanDerWaalsContact O-CE2 3.25Å; D395-Y397 WeakPolarHBondContact O-CE2 3.34Å
396	T	86.9	Confident	91.5	Very high	32 Å²	32	47.5 Å²	47.5	20%	0.196	23%	0.233	C	C	.	.			trans	-85.6	-16.8	179.2	60.2	0	0	0	0	113.8	E398 F401 E426 W429 M430	T396-E398 PolarHBondContact O-N 3.06Å; T396-F401 WeakPolarHBondContact O-CE2 3.5Å; T396-E426 HydrophobicContact CG2-CB 4.45Å; T396-E426 HydrophobicContact CG2-CG 4.42Å; T396-W429 VanDerWaalsContact CB-CE3 3.49Å; T396-W429 HydrophobicContact CG2-CB 4.24Å; T396-W429 HydrophobicContact CG2-CD2 3.9Å; T396-W429 HydrophobicContact CG2-CE3 3.83Å; T396-W429 HydrophobicContact CG2-CG 4.1Å; T396-W429 HydrophobicContact CG2-CZ3 4.48Å; T396-M430 WeakPolarHBondContact O-CG 3.39Å
397	Y	92	Very high	91	Very high	28 Å²	28	52 Å²	52	11%	0.11	26%	0.257	C	S	.	.			trans	51.7	35.1	-178.7	-51.4	-71.3	0	0	0	114.1	Y359 P360 L363 T394 D395 E399 I400 F401 M430	Y359-Y397 WeakPolarHBondContact CB-OH 3.14Å; Y359-Y397 HydrophobicContact CD1-CE2 4.07Å; Y359-Y397 HydrophobicContact CD2-CE2 4.09Å; Y359-Y397 WeakPolarHBondContact CD2-OH 3.29Å; Y359-Y397 AromaticContact CG-CE2 3.57Å; Y359-Y397 HydrophobicContact CG-CE2 3.57Å; Y359-Y397 AromaticContact CG-CZ 3.79Å; P360-Y397 HydrophobicContact CG-CD1 4.04Å; P360-Y397 HydrophobicContact CG-CE1 3.78Å; L363-Y397 HydrophobicContact CD1-CD2 3.91Å; L363-Y397 HydrophobicContact CD1-CG 4.02Å; T394-Y397 PolarHBondContact OG1-OH 3.39Å; D395-Y397 HydrophobicContact CB-CD1 4.38Å; D395-Y397 HydrophobicContact CB-CE1 4Å; D395-Y397 HydrophobicContact CB-CE2 4.38Å; D395-Y397 WeakPolarHBondContact O-CD2 3.35Å; D395-Y397 VanDerWaalsContact O-CE2 3.25Å; D395-Y397 WeakPolarHBondContact O-CE2 3.34Å; Y397-E399 PolarHBondContact O-N 2.89Å; Y397-E399 VanDerWaalsContact O-N 3.11Å; Y397-I400 PolarHBondContact O-N 2.83Å; Y397-F401 WeakPolarHBondContact O-CD2 3.42Å; Y397-F401 PolarHBondContact O-N 3.41Å; Y397-M430 HydrophobicContact CD2-SD 4.1Å
398	E	90.6	Very high	90.6	Very high	85 Å²	85	53 Å²	53	40%	0.397	26%	0.261	S	S	.	.	H	α-helix	trans	-50.9	-38.6	-175.3	175.4	173	-176.3	0	0	113.3	T396 I400 F401 N402 W429	T396-E398 PolarHBondContact O-N 3.06Å; E398-I400 VanDerWaalsContact C-N 3.28Å; E398-I400 PolarHBondContact O-N 2.77Å; E398-F401 PolarHBondContact O-N 3.25Å; E398-N402 VanDerWaalsContact CG-ND2 3.29Å; E398-N402 WeakPolarHBondContact CG-ND2 3.05Å; E398-N402 WeakPolarHBondContact O-CB 3.29Å; E398-N402 PolarHBondContact O-N 3.29Å; E398-N402 PolarHBondContact OE1-ND2 3.39Å; E398-W429 HydrophobicContact CB-CH2 3.73Å; E398-W429 HydrophobicContact CB-CZ3 4.25Å; E398-W429 HydrophobicContact CG-CH2 3.83Å; E398-W429 HydrophobicContact CG-CZ2 4.5Å
399	E	92.5	Very high	90	Very high	172 Å²	172	54.4 Å²	54.4	80%	0.804	27%	0.271	S	S	*	.	H	α-helix	trans	-56.2	-40.3	179.3	-63.6	-174.5	170.5	0	0	112.7	Y397 H403	Y397-E399 PolarHBondContact O-N 2.89Å; Y397-E399 VanDerWaalsContact O-N 3.11Å; E399-H403 WeakPolarHBondContact O-CB 3.41Å; E399-H403 PolarHBondContact O-N 3.45Å
400	I	93.2	Very high	89.8	Confident	13 Å²	13	54.7 Å²	54.7	7%	0.067	27%	0.272	C	S	.	.	H	α-helix	trans	-70.2	-44.9	-179.7	-58.7	178.6	0	0	0	109.8	P360 L363 R364 F367 Y397 E398 N402 H403 Y404	P360-I400 HydrophobicContact CB-CD1 3.99Å; L363-I400 HydrophobicContact CB-CD1 4.33Å; L363-I400 HydrophobicContact CB-CG2 4.15Å; L363-I400 HydrophobicContact CD1-CD1 4.44Å; R364-I400 HydrophobicContact CG-CD1 4.43Å; R364-I400 HydrophobicContact CG-CG2 4.39Å; F367-I400 HydrophobicContact CD2-CG2 4.01Å; F367-I400 HydrophobicContact CE2-CG2 4.08Å; Y397-I400 PolarHBondContact O-N 2.83Å; E398-I400 VanDerWaalsContact C-N 3.28Å; E398-I400 PolarHBondContact O-N 2.77Å; I400-N402 VanDerWaalsContact C-N 3.32Å; I400-N402 PolarHBondContact O-N 3.21Å; I400-H403 PolarHBondContact O-N 3.14Å; I400-Y404 HydrophobicContact CG2-CD2 3.87Å; I400-Y404 HydrophobicContact CG2-CE2 4.24Å; I400-Y404 PolarHBondContact O-N 3.33Å
401	F	93.4	Very high	89.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-37	177.8	-71.9	-69.3	0	0	0	112.5	L363 F367 T396 Y397 E398 H403 N405 F412 W429 M430 N434	L363-F401 HydrophobicContact CD1-CE2 4.48Å; L363-F401 HydrophobicContact CD2-CZ 4.27Å; F367-F401 HydrophobicContact CE2-CD1 4.04Å; F367-F401 HydrophobicContact CE2-CE1 4.05Å; F367-F401 AromaticContact CZ-CD1 3.65Å; F367-F401 HydrophobicContact CZ-CD1 3.65Å; F367-F401 AromaticContact CZ-CE1 3.72Å; F367-F401 HydrophobicContact CZ-CE1 3.72Å; T396-F401 WeakPolarHBondContact O-CE2 3.5Å; Y397-F401 WeakPolarHBondContact O-CD2 3.42Å; Y397-F401 PolarHBondContact O-N 3.41Å; E398-F401 PolarHBondContact O-N 3.25Å; F401-H403 VanDerWaalsContact C-N 3.34Å; F401-N405 CarbonylContact O-C 3.12Å; F401-N405 WeakPolarHBondContact O-CA 3.34Å; F401-N405 PolarHBondContact O-N 3.49Å; F401-F412 AromaticContact CE1-CD2 3.6Å; F401-F412 HydrophobicContact CE1-CD2 3.6Å; F401-F412 AromaticContact CE1-CE2 3.85Å; F401-F412 HydrophobicContact CE1-CE2 3.85Å; F401-F412 HydrophobicContact CE1-CG 4.04Å; F401-F412 HydrophobicContact CE1-CZ 4.49Å; F401-F412 HydrophobicContact CZ-CD1 4.48Å; F401-F412 AromaticContact CZ-CD2 3.92Å; F401-F412 HydrophobicContact CZ-CD2 3.92Å; F401-F412 HydrophobicContact CZ-CE1 4.35Å; F401-F412 AromaticContact CZ-CE2 3.77Å; F401-F412 HydrophobicContact CZ-CE2 3.77Å; F401-F412 HydrophobicContact CZ-CG 4.26Å; F401-F412 AromaticContact CZ-CZ 3.99Å; F401-F412 HydrophobicContact CZ-CZ 3.99Å; F401-W429 HydrophobicContact CD2-CZ3 4.5Å; F401-M430 HydrophobicContact CE2-CB 4.17Å; F401-M430 HydrophobicContact CE2-CG 3.74Å; F401-M430 HydrophobicContact CE2-SD 3.89Å; F401-M430 HydrophobicContact CZ-CB 4.13Å; F401-M430 HydrophobicContact CZ-CG 4.14Å; F401-M430 HydrophobicContact CZ-SD 4.14Å; F401-N434 WeakPolarHBondContact CD1-ND2 3.41Å; F401-N434 WeakPolarHBondContact CD1-OD1 3.34Å; F401-N434 VanDerWaalsContact CE1-ND2 3.29Å; F401-N434 WeakPolarHBondContact CE1-ND2 3.46Å; F401-N434 WeakPolarHBondContact CG-ND2 3.47Å
402	N	91.4	Very high	89.8	Confident	61 Å²	61	54.5 Å²	54.5	33%	0.326	27%	0.27	S	S	.	.	H	α-helix	trans	-72.7	-27.3	176.7	-74.5	-16.9	0	0	0	112.3	E398 I400 Y433	E398-N402 VanDerWaalsContact CG-ND2 3.29Å; E398-N402 WeakPolarHBondContact CG-ND2 3.05Å; E398-N402 WeakPolarHBondContact O-CB 3.29Å; E398-N402 PolarHBondContact O-N 3.29Å; E398-N402 PolarHBondContact OE1-ND2 3.39Å; I400-N402 VanDerWaalsContact C-N 3.32Å; I400-N402 PolarHBondContact O-N 3.21Å; N402-Y433 PolarHBondContact OD1-OH 3.48Å
403	H	92.6	Very high	90.1	Very high	146 Å²	146	54.2 Å²	54.2	68%	0.676	27%	0.267	S	S	*	.	H	α-helix	trans	-76.1	-54.2	175.8	-172.5	74.4	0	0	0	112.6	E399 I400 F401	E399-H403 WeakPolarHBondContact O-CB 3.41Å; E399-H403 PolarHBondContact O-N 3.45Å; I400-H403 PolarHBondContact O-N 3.14Å; F401-H403 VanDerWaalsContact C-N 3.34Å
404	Y	91.4	Very high	90.5	Very high	63 Å²	63	54.2 Å²	54.2	25%	0.247	27%	0.267	C	S	.	.	H	α-helix	trans	-89.6	-28.4	-172.9	-72.1	-85	0	0	0	114.2	R364 F367 E368 I400	R364-Y404 HydrophobicContact CB-CE2 4.49Å; R364-Y404 HydrophobicContact CG-CE2 4.02Å; F367-Y404 HydrophobicContact CB-CD1 3.62Å; F367-Y404 HydrophobicContact CB-CD2 4.16Å; F367-Y404 HydrophobicContact CB-CE1 4.16Å; F367-Y404 HydrophobicContact CB-CG 3.6Å; F367-Y404 HydrophobicContact CD1-CG 4.49Å; F367-Y404 HydrophobicContact CD2-CD2 4.13Å; F367-Y404 HydrophobicContact CD2-CG 4.12Å; F367-Y404 HydrophobicContact CG-CD1 4.34Å; F367-Y404 HydrophobicContact CG-CD2 4.3Å; F367-Y404 AromaticContact CG-CG 3.84Å; F367-Y404 HydrophobicContact CG-CG 3.84Å; E368-Y404 HydrophobicContact CG-CE1 4.18Å; E368-Y404 PolarHBondContact OE1-OH 3.19Å; I400-Y404 HydrophobicContact CG2-CD2 3.87Å; I400-Y404 HydrophobicContact CG2-CE2 4.24Å; I400-Y404 PolarHBondContact O-N 3.33Å
405	N	90.4	Very high	90.9	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	24%	0.237	C	C	.	.			trans	-132.4	53.3	-171	-167	33.4	0	0	0	111.3	F367 F401 D407 K408 S409 I410 N434	F367-N405 HydrophobicContact CE1-CB 3.9Å; F367-N405 HydrophobicContact CZ-CB 4.27Å; F401-N405 CarbonylContact O-C 3.12Å; F401-N405 WeakPolarHBondContact O-CA 3.34Å; F401-N405 PolarHBondContact O-N 3.49Å; N405-D407 PolarHBondContact OD1-OD1 3.31Å; N405-K408 VanDerWaalsContact O-CD 3.3Å; N405-K408 WeakPolarHBondContact O-CD 3.36Å; N405-K408 WeakPolarHBondContact O-CE 3.24Å; N405-K408 PolarHBondContact O-N 2.73Å; N405-K408 PolarHBondContact O-NZ 3.01Å; N405-K408 VanDerWaalsContact OD1-CA 3.3Å; N405-K408 WeakPolarHBondContact OD1-CA 3.5Å; N405-K408 PolarHBondContact OD1-N 2.82Å; N405-S409 PolarHBondContact OD1-N 3.23Å; N405-S409 VanDerWaalsContact OD1-N 3.1Å; N405-I410 PolarHBondContact ND2-O 3.38Å; N405-I410 PolarHBondContact OD1-N 3.47Å; N405-N434 PolarHBondContact ND2-OD1 2.89Å
406	K	87.4	Confident	91.2	Very high	179 Å²	179	45.3 Å²	45.3	78%	0.778	22%	0.215	S	C	*	.	S	Bend	trans	-67	-36.9	180	-171.2	178.2	179.4	-179.8	0	112.6	K408	K406-K408 VanDerWaalsContact C-N 3.28Å
407	D	85.6	Confident	91.5	Very high	93 Å²	93	43.8 Å²	43.8	50%	0.497	21%	0.206	S	C	.	.	S	Bend	trans	-79.6	-10.2	178.8	65.5	-13.4	0	0	0	113.3	N405 S409	N405-D407 PolarHBondContact OD1-OD1 3.31Å; D407-S409 VanDerWaalsContact CG-OG 3.23Å; D407-S409 PolarHBondContact O-N 3.43Å; D407-S409 WeakPolarHBondContact OD1-CB 3.23Å; D407-S409 PolarHBondContact OD1-N 3.3Å; D407-S409 VanDerWaalsContact OD1-N 3.11Å; D407-S409 PolarHBondContact OD1-OG 3Å; D407-S409 WeakPolarHBondContact OD2-CB 3.28Å; D407-S409 PolarHBondContact OD2-OG 3.45Å
408	K	87.9	Confident	91.3	Very high	24 Å²	24	42.8 Å²	42.8	10%	0.104	20%	0.204	C	C	.	.			trans	59	32.5	-175.5	-49.1	-61.9	172	-158	0	112.4	N405 K406 N434 R435	N405-K408 VanDerWaalsContact O-CD 3.3Å; N405-K408 WeakPolarHBondContact O-CD 3.36Å; N405-K408 WeakPolarHBondContact O-CE 3.24Å; N405-K408 PolarHBondContact O-N 2.73Å; N405-K408 PolarHBondContact O-NZ 3.01Å; N405-K408 VanDerWaalsContact OD1-CA 3.3Å; N405-K408 WeakPolarHBondContact OD1-CA 3.5Å; N405-K408 PolarHBondContact OD1-N 2.82Å; K406-K408 VanDerWaalsContact C-N 3.28Å; K408-N434 WeakPolarHBondContact CD-OD1 3.11Å; K408-N434 PolarHBondContact NZ-OD1 3.5Å; K408-R435 HydrophobicContact CB-CG 4.3Å
409	S	84.4	Confident	90.7	Very high	30 Å²	30	44 Å²	44	21%	0.21	21%	0.213	C	C	.	.			trans	-73.1	-30.5	176.6	58.6	0	0	0	0	112.8	R374 N405 D407	R374-S409 PolarHBondContact NH1-OG 2.86Å; R374-S409 VanDerWaalsContact NH1-OG 3.17Å; N405-S409 PolarHBondContact OD1-N 3.23Å; N405-S409 VanDerWaalsContact OD1-N 3.1Å; D407-S409 VanDerWaalsContact CG-OG 3.23Å; D407-S409 PolarHBondContact O-N 3.43Å; D407-S409 WeakPolarHBondContact OD1-CB 3.23Å; D407-S409 PolarHBondContact OD1-N 3.3Å; D407-S409 VanDerWaalsContact OD1-N 3.11Å; D407-S409 PolarHBondContact OD1-OG 3Å; D407-S409 WeakPolarHBondContact OD2-CB 3.28Å; D407-S409 PolarHBondContact OD2-OG 3.45Å
410	I	89.9	Confident	89.7	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.211	C	C	.	.	S	Bend	trans	-92	126	176	-56.9	169.4	0	0	0	108.7	F367 V370 V371 I386 N405	F367-I410 HydrophobicContact CD1-CD1 3.88Å; F367-I410 HydrophobicContact CE1-CD1 4.1Å; F367-I410 HydrophobicContact CE1-CG2 4.36Å; V370-I410 HydrophobicContact CB-CD1 4.47Å; V370-I410 HydrophobicContact CG1-CD1 3.76Å; V370-I410 HydrophobicContact CG1-CG1 4.12Å; V370-I410 HydrophobicContact CG1-CG2 4.38Å; V371-I410 HydrophobicContact CG2-CD1 4.47Å; I386-I410 HydrophobicContact CD1-CG2 4.16Å; I386-I410 HydrophobicContact CG1-CG2 4.05Å; N405-I410 PolarHBondContact ND2-O 3.38Å; N405-I410 PolarHBondContact OD1-N 3.47Å
411	R	91.9	Very high	88.5	Confident	13 Å²	13	43.5 Å²	43.5	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	142.9	178.5	-66.4	179	176.8	-150.3	-4.7	111.2	S384 A385 I386 F413 N434 I457 M458	S384-R411 PolarHBondContact O-N 2.88Å; A385-R411 CarbonylContact C-O 3.52Å; A385-R411 VanDerWaalsContact CA-O 3.25Å; A385-R411 WeakPolarHBondContact CA-O 3.36Å; A385-R411 HydrophobicContact CB-CB 4.37Å; I386-R411 PolarHBondContact N-O 3.49Å; R411-F413 HydrophobicContact CB-CE2 3.9Å; R411-F413 HydrophobicContact CB-CZ 4.44Å; R411-N434 WeakPolarHBondContact CA-O 3.32Å; R411-I457 PolarHBondContact NH1-O 3.13Å; R411-M458 VanDerWaalsContact CD-SD 3.58Å
412	F	94.8	Very high	87.2	Confident	1 Å²	1	49.9 Å²	49.9	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.6	179.7	-163	-88.5	0	0	0	111.7	L363 I386 L388 F401 M430 A431 N434 G436	L363-F412 HydrophobicContact CD2-CE2 3.69Å; L363-F412 HydrophobicContact CD2-CZ 3.96Å; I386-F412 HydrophobicContact CB-CD2 3.89Å; I386-F412 HydrophobicContact CB-CE2 4.15Å; I386-F412 HydrophobicContact CG2-CD2 3.95Å; I386-F412 HydrophobicContact CG2-CE2 3.67Å; I386-F412 CarbonylContact O-C 3.56Å; I386-F412 WeakPolarHBondContact O-CA 3.26Å; L388-F412 HydrophobicContact CB-CE1 3.95Å; L388-F412 HydrophobicContact CB-CZ 3.77Å; L388-F412 HydrophobicContact CD2-CE1 4.23Å; L388-F412 HydrophobicContact CD2-CZ 4.12Å; F401-F412 AromaticContact CE1-CD2 3.6Å; F401-F412 HydrophobicContact CE1-CD2 3.6Å; F401-F412 AromaticContact CE1-CE2 3.85Å; F401-F412 HydrophobicContact CE1-CE2 3.85Å; F401-F412 HydrophobicContact CE1-CG 4.04Å; F401-F412 HydrophobicContact CE1-CZ 4.49Å; F401-F412 HydrophobicContact CZ-CD1 4.48Å; F401-F412 AromaticContact CZ-CD2 3.92Å; F401-F412 HydrophobicContact CZ-CD2 3.92Å; F401-F412 HydrophobicContact CZ-CE1 4.35Å; F401-F412 AromaticContact CZ-CE2 3.77Å; F401-F412 HydrophobicContact CZ-CE2 3.77Å; F401-F412 HydrophobicContact CZ-CG 4.26Å; F401-F412 AromaticContact CZ-CZ 3.99Å; F401-F412 HydrophobicContact CZ-CZ 3.99Å; F412-M430 HydrophobicContact CD1-CB 4.05Å; F412-M430 HydrophobicContact CE1-CB 3.82Å; F412-A431 VanDerWaalsContact O-CA 3.29Å; F412-A431 WeakPolarHBondContact O-CA 3.4Å; F412-A431 WeakPolarHBondContact O-CB 3.18Å; F412-N434 HydrophobicContact CB-CB 3.6Å; F412-N434 PolarHBondContact N-O 3.08Å; F412-G436 VanDerWaalsContact O-CA 3.22Å; F412-G436 WeakPolarHBondContact O-CA 3.37Å
413	F	95.6	Very high	86.2	Confident	2 Å²	2	50 Å²	50	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.4	176.4	-62.8	-87.7	0	0	0	109.9	A385 I386 M387 L388 R411 Y415 Y437 I457 M458	A385-F413 HydrophobicContact CB-CD2 4.07Å; A385-F413 HydrophobicContact CB-CE2 3.87Å; I386-F413 PolarHBondContact O-N 2.96Å; M387-F413 CarbonylContact C-O 3.56Å; M387-F413 WeakPolarHBondContact CA-O 3.48Å; M387-F413 HydrophobicContact CB-CB 4.48Å; M387-F413 HydrophobicContact CE-CD2 4.26Å; M387-F413 HydrophobicContact CG-CB 4.09Å; M387-F413 HydrophobicContact CG-CD2 4.23Å; L388-F413 PolarHBondContact N-O 3.33Å; R411-F413 HydrophobicContact CB-CE2 3.9Å; R411-F413 HydrophobicContact CB-CZ 4.44Å; F413-Y415 HydrophobicContact CB-CE2 4.32Å; F413-Y437 WeakPolarHBondContact CA-O 3.25Å; F413-I457 HydrophobicContact CE1-CB 4.14Å; F413-I457 HydrophobicContact CE1-CG2 4.12Å; F413-I457 HydrophobicContact CZ-CB 4.41Å; F413-I457 HydrophobicContact CZ-CG2 4.21Å; F413-M458 HydrophobicContact CE2-SD 4.06Å; F413-M458 HydrophobicContact CZ-CG 4.16Å; F413-M458 HydrophobicContact CZ-SD 3.95Å
414	S	94.9	Very high	85.6	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.5	175.2	55.3	0	0	0	0	111.9	L388 V427 A431 Y437 F438 A439	L388-S414 CarbonylContact O-C 3.59Å; L388-S414 WeakPolarHBondContact O-CA 3.4Å; S414-V427 VanDerWaalsContact CB-CG1 3.45Å; S414-V427 PolarHBondContact OG-O 3.16Å; S414-A431 VanDerWaalsContact OG-CB 3.27Å; S414-A431 WeakPolarHBondContact OG-CB 3.37Å; S414-Y437 PolarHBondContact N-O 2.89Å; S414-F438 WeakPolarHBondContact O-CA 3.01Å; S414-F438 WeakPolarHBondContact OG-CD2 3.27Å; S414-A439 PolarHBondContact O-N 2.98Å
415	Y	94.8	Very high	85.4	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.016	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	110.7	176.6	-61.2	-80.4	0	0	0	108.4	T299 I303 M387 L388 I389 T390 F413 A439 I441 V451	T299-Y415 HydrophobicContact CG2-CD1 4.48Å; T299-Y415 HydrophobicContact CG2-CG 4.37Å; I303-Y415 HydrophobicContact CD1-CD2 4.42Å; I303-Y415 HydrophobicContact CD1-CE2 3.9Å; M387-Y415 HydrophobicContact CB-CE2 4.31Å; M387-Y415 HydrophobicContact SD-CE2 4.36Å; L388-Y415 PolarHBondContact O-N 3.43Å; I389-Y415 HydrophobicContact CG1-CD2 4.04Å; T390-Y415 PolarHBondContact N-O 3.22Å; T390-Y415 VanDerWaalsContact N-O 3.13Å; F413-Y415 HydrophobicContact CB-CE2 4.32Å; Y415-A439 WeakPolarHBondContact CA-O 3.35Å; Y415-A439 HydrophobicContact CD1-CB 3.8Å; Y415-A439 HydrophobicContact CE1-CB 4.03Å; Y415-I441 HydrophobicContact CD1-CD1 3.92Å; Y415-I441 HydrophobicContact CG-CD1 4.46Å; Y415-V451 HydrophobicContact CE1-CG2 4.33Å
416	L	94.2	Very high	85.4	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.4	-179.6	-166.8	67.2	0	0	0	109.6	T390 V421 F424 V427 F438 A439 H440 I441	T390-L416 CarbonylContact O-C 3.57Å; T390-L416 WeakPolarHBondContact O-CA 3.33Å; L416-V421 HydrophobicContact CD1-CG1 3.75Å; L416-V421 HydrophobicContact CD2-CB 4.01Å; L416-V421 HydrophobicContact CD2-CG1 3.56Å; L416-V421 HydrophobicContact CD2-CG2 4.33Å; L416-V421 HydrophobicContact CG-CB 4.31Å; L416-V421 HydrophobicContact CG-CG1 3.77Å; L416-V421 HydrophobicContact CG-CG2 4.16Å; L416-F424 HydrophobicContact CD2-CB 4.46Å; L416-F424 HydrophobicContact CD2-CD2 3.81Å; L416-F424 HydrophobicContact CD2-CG 4.5Å; L416-V427 HydrophobicContact CD1-CB 4.33Å; L416-V427 HydrophobicContact CD1-CG1 4.23Å; L416-V427 HydrophobicContact CD1-CG2 4.08Å; L416-F438 HydrophobicContact CB-CE2 3.83Å; L416-F438 HydrophobicContact CB-CZ 4.05Å; L416-F438 HydrophobicContact CD2-CE2 4.03Å; L416-F438 HydrophobicContact CD2-CZ 3.86Å; L416-A439 PolarHBondContact N-O 3.32Å; L416-H440 PolarHBondContact O-CD2 3.07Å; L416-I441 PolarHBondContact O-N 2.97Å
417	I	93.3	Very high	85.6	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.3	-172.7	-64.4	-177.4	0	0	0	111.9	M288 R292 I295 A296 I389 T390	M288-I417 HydrophobicContact CE-CB 4.47Å; M288-I417 HydrophobicContact CE-CD1 4.07Å; R292-I417 HydrophobicContact CB-CG2 4.01Å; R292-I417 HydrophobicContact CG-CG2 4.23Å; I295-I417 HydrophobicContact CB-CG2 4.01Å; I295-I417 HydrophobicContact CD1-CG2 4.46Å; I295-I417 HydrophobicContact CG2-CD1 4.34Å; I295-I417 HydrophobicContact CG2-CG1 4.43Å; I295-I417 HydrophobicContact CG2-CG2 3.93Å; A296-I417 HydrophobicContact CB-CD1 3.36Å; I389-I417 HydrophobicContact CG2-CD1 3.31Å; I389-I417 HydrophobicContact CG2-CG1 4.23Å; T390-I417 PolarHBondContact O-N 3.34Å
418	G	86.1	Confident	85.9	Confident	6 Å²	6	47.3 Å²	47.3	6%	0.062	23%	0.23	C	C	.	.	S	Bend	trans	106.5	161	171.2	0	0	0	0	0	113.5	V421 H440 I441	G418-V421 VanDerWaalsContact O-CG2 3.27Å; G418-V421 WeakPolarHBondContact O-CG2 3.44Å; G418-H440 PolarHBondContact O-NE2 3.28Å; G418-I441 PolarHBondContact N-O 3.48Å
419	D	79.8	Confident	86.1	Confident	112 Å²	112	49.9 Å²	49.9	60%	0.599	24%	0.239	S	C	*	.	S	Bend	trans	-79.5	-40.1	-178.7	-70.5	-34.4	0	0	0	112.8	V421 S442	D419-V421 PolarHBondContact O-N 2.93Å; D419-S442 WeakPolarHBondContact OD1-CA 3.47Å; D419-S442 WeakPolarHBondContact OD1-CB 3.44Å; D419-S442 PolarHBondContact OD1-OG 2.92Å
420	D	70.3	Confident	86.4	Confident	141 Å²	141	48.4 Å²	48.4	75%	0.754	23%	0.229	S	C	*	.			trans	-93.1	65.7	-173.7	-63.4	-45.5	0	0	0	112.5
421	V	69.1	Low	86.6	Confident	33 Å²	33	48.2 Å²	48.2	20%	0.2	23%	0.228	C	C	.	.			trans	-106.6	118.1	-176.4	-169.7	0	0	0	0	112.1	D391 L416 G418 D419	D391-V421 WeakPolarHBondContact O-CG1 3.07Å; L416-V421 HydrophobicContact CD1-CG1 3.75Å; L416-V421 HydrophobicContact CD2-CB 4.01Å; L416-V421 HydrophobicContact CD2-CG1 3.56Å; L416-V421 HydrophobicContact CD2-CG2 4.33Å; L416-V421 HydrophobicContact CG-CB 4.31Å; L416-V421 HydrophobicContact CG-CG1 3.77Å; L416-V421 HydrophobicContact CG-CG2 4.16Å; G418-V421 VanDerWaalsContact O-CG2 3.27Å; G418-V421 WeakPolarHBondContact O-CG2 3.44Å; D419-V421 PolarHBondContact O-N 2.93Å
422	T	65.1	Low	86.6	Confident	133 Å²	133	51.4 Å²	51.4	82%	0.816	25%	0.251	S	S	*	.	S	Bend	trans	-87.5	-25.8	178.2	49.5	0	0	0	0	113.3	F424	T422-F424 PolarHBondContact O-N 3.5Å
423	E	69.7	Low	86.4	Confident	64 Å²	64	55.2 Å²	55.2	30%	0.299	27%	0.266	S	S	.	.			trans	-99.8	46.5	-169.2	-63.2	179.8	170.2	0	0	112.5	G392 A393	G392-E423 WeakPolarHBondContact CA-OE2 3.36Å; A393-E423 WeakPolarHBondContact CA-OE2 3.33Å; A393-E423 PolarHBondContact N-OE2 3Å
424	F	81.2	Confident	86.2	Confident	78 Å²	78	55.1 Å²	55.1	34%	0.342	27%	0.266	S	S	.	.	H	α-helix	trans	-71	-35.1	-175.7	-176.6	-87.7	0	0	0	113.1	L416 T422 R428 F438	L416-F424 HydrophobicContact CD2-CB 4.46Å; L416-F424 HydrophobicContact CD2-CD2 3.81Å; L416-F424 HydrophobicContact CD2-CG 4.5Å; T422-F424 PolarHBondContact O-N 3.5Å; F424-R428 HydrophobicContact CE1-CB 4.43Å; F424-R428 WeakPolarHBondContact O-CB 3.43Å; F424-R428 PolarHBondContact O-N 2.01Å; F424-R428 VanDerWaalsContact O-N 3.14Å; F424-F438 HydrophobicContact CD2-CE1 4.06Å; F424-F438 AromaticContact CD2-CZ 3.57Å; F424-F438 HydrophobicContact CD2-CZ 3.57Å; F424-F438 HydrophobicContact CE1-CE1 4.2Å; F424-F438 HydrophobicContact CE1-CZ 4.41Å; F424-F438 HydrophobicContact CE2-CD1 4.41Å; F424-F438 AromaticContact CE2-CE1 3.19Å; F424-F438 HydrophobicContact CE2-CE1 3.19Å; F424-F438 HydrophobicContact CE2-CE2 4.4Å; F424-F438 AromaticContact CE2-CZ 3.18Å; F424-F438 HydrophobicContact CE2-CZ 3.18Å; F424-F438 HydrophobicContact CG-CZ 4.34Å; F424-F438 HydrophobicContact CZ-CD1 4.14Å; F424-F438 AromaticContact CZ-CE1 3.26Å; F424-F438 HydrophobicContact CZ-CE1 3.26Å; F424-F438 AromaticContact CZ-CZ 3.66Å; F424-F438 HydrophobicContact CZ-CZ 3.66Å
425	R	87.8	Confident	85.9	Confident	187 Å²	187	59 Å²	59	71%	0.706	28%	0.281	S	S	*	.	H	α-helix	trans	-73.3	-43.5	-166.7	-177.1	-177	64.4	168.5	1.5	111.9	W429	R425-W429 VanDerWaalsContact O-CB 3.32Å; R425-W429 WeakPolarHBondContact O-CB 3.26Å; R425-W429 PolarHBondContact O-N 3.2Å
426	E	90.3	Very high	85.7	Confident	30 Å²	30	59.4 Å²	59.4	14%	0.14	29%	0.286	C	S	.	.	H	α-helix	trans	-67.5	-48.6	-175.9	-66.7	65.8	-146.5	0	0	110	T396 R428 W429 M430	T396-E426 HydrophobicContact CG2-CB 4.45Å; T396-E426 HydrophobicContact CG2-CG 4.42Å; E426-R428 PolarHBondContact O-N 2.85Å; E426-W429 WeakPolarHBondContact O-CB 3.36Å; E426-W429 PolarHBondContact O-N 3.34Å; E426-M430 WeakPolarHBondContact O-CG 3.39Å; E426-M430 PolarHBondContact O-N 2.91Å
427	V	90.1	Very high	85.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-39.8	177.3	-178.7	0	0	0	0	112.2	T390 A393 S414 L416 M430 F438	T390-V427 HydrophobicContact CG2-CG2 4.39Å; A393-V427 HydrophobicContact CB-CG2 3.64Å; S414-V427 VanDerWaalsContact CB-CG1 3.45Å; S414-V427 PolarHBondContact OG-O 3.16Å; L416-V427 HydrophobicContact CD1-CB 4.33Å; L416-V427 HydrophobicContact CD1-CG1 4.23Å; L416-V427 HydrophobicContact CD1-CG2 4.08Å; V427-M430 HydrophobicContact CB-CE 4.41Å; V427-M430 HydrophobicContact CG2-CE 4.2Å; V427-F438 HydrophobicContact CG1-CD2 4.29Å; V427-F438 HydrophobicContact CG1-CE2 4.15Å
428	R	91.9	Very high	85.5	Confident	131 Å²	131	65.6 Å²	65.6	49%	0.494	31%	0.31	S	S	.	.	H	α-helix	trans	-65.7	-41.7	174	-179.6	175.2	178.7	-177.6	4.5	111.8	F424 E426 M430 A431 C432 F438	F424-R428 HydrophobicContact CE1-CB 4.43Å; F424-R428 WeakPolarHBondContact O-CB 3.43Å; F424-R428 PolarHBondContact O-N 2.01Å; F424-R428 VanDerWaalsContact O-N 3.14Å; E426-R428 PolarHBondContact O-N 2.85Å; R428-M430 VanDerWaalsContact C-N 3.35Å; R428-M430 PolarHBondContact O-N 3.2Å; R428-A431 PolarHBondContact O-N 3.25Å; R428-C432 WeakPolarHBondContact O-CB 3.24Å; R428-C432 PolarHBondContact O-N 3.33Å; R428-C432 PolarHBondContact O-SG 2.84Å; R428-C432 VanDerWaalsContact O-SG 3.39Å; R428-F438 HydrophobicContact CB-CD1 4.47Å; R428-F438 HydrophobicContact CB-CD2 3.94Å; R428-F438 HydrophobicContact CB-CE2 4.29Å; R428-F438 HydrophobicContact CB-CG 4.04Å; R428-F438 HydrophobicContact CG-CB 4.26Å; R428-F438 HydrophobicContact CG-CD1 4.33Å; R428-F438 HydrophobicContact CG-CD2 4.49Å; R428-F438 HydrophobicContact CG-CG 4.08Å
429	W	92.5	Very high	85.9	Confident	77 Å²	77	65.4 Å²	65.4	29%	0.292	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-44.8	179.1	-175.1	97.3	0	0	0	111.3	T396 E398 F401 R425 E426 A431 C432 Y433	T396-W429 VanDerWaalsContact CB-CE3 3.49Å; T396-W429 HydrophobicContact CG2-CB 4.24Å; T396-W429 HydrophobicContact CG2-CD2 3.9Å; T396-W429 HydrophobicContact CG2-CE3 3.83Å; T396-W429 HydrophobicContact CG2-CG 4.1Å; T396-W429 HydrophobicContact CG2-CZ3 4.48Å; E398-W429 HydrophobicContact CB-CH2 3.73Å; E398-W429 HydrophobicContact CB-CZ3 4.25Å; E398-W429 HydrophobicContact CG-CH2 3.83Å; E398-W429 HydrophobicContact CG-CZ2 4.5Å; F401-W429 HydrophobicContact CD2-CZ3 4.5Å; R425-W429 VanDerWaalsContact O-CB 3.32Å; R425-W429 WeakPolarHBondContact O-CB 3.26Å; R425-W429 PolarHBondContact O-N 3.2Å; E426-W429 WeakPolarHBondContact O-CB 3.36Å; E426-W429 PolarHBondContact O-N 3.34Å; W429-A431 VanDerWaalsContact C-N 3.29Å; W429-A431 PolarHBondContact O-N 3.24Å; W429-C432 PolarHBondContact O-N 3.03Å; W429-Y433 AromaticContact CH2-CD1 3.4Å; W429-Y433 HydrophobicContact CH2-CD1 3.4Å; W429-Y433 VanDerWaalsContact CH2-CD1 3.4Å; W429-Y433 HydrophobicContact CH2-CD2 4.2Å; W429-Y433 AromaticContact CH2-CE1 3.76Å; W429-Y433 HydrophobicContact CH2-CE1 3.76Å; W429-Y433 AromaticContact CH2-CG 3.65Å; W429-Y433 HydrophobicContact CH2-CG 3.65Å; W429-Y433 AromaticContact CZ2-CD1 3.92Å; W429-Y433 HydrophobicContact CZ2-CD1 3.92Å; W429-Y433 AromaticContact CZ2-CD2 3.84Å; W429-Y433 HydrophobicContact CZ2-CD2 3.84Å; W429-Y433 HydrophobicContact CZ2-CE1 4.27Å; W429-Y433 HydrophobicContact CZ2-CE2 4.24Å; W429-Y433 AromaticContact CZ2-CG 3.69Å; W429-Y433 HydrophobicContact CZ2-CG 3.69Å; W429-Y433 AromaticContact CZ3-CD1 3.86Å; W429-Y433 HydrophobicContact CZ3-CD1 3.86Å; W429-Y433 HydrophobicContact CZ3-CG 4.13Å; W429-Y433 VanDerWaalsContact O-CB 3.22Å; W429-Y433 WeakPolarHBondContact O-CB 3.12Å; W429-Y433 PolarHBondContact O-N 3.42Å
430	M	92.2	Very high	86.5	Confident	0 Å²	0	63 Å²	63	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.3	-41.7	178.8	-70.2	-169.7	-78.5	0	0	112.6	L388 A393 T396 Y397 F401 F412 E426 V427 R428 N434	L388-M430 HydrophobicContact CD2-CE 3.82Å; A393-M430 HydrophobicContact CB-CE 3.65Å; T396-M430 WeakPolarHBondContact O-CG 3.39Å; Y397-M430 HydrophobicContact CD2-SD 4.1Å; F401-M430 HydrophobicContact CE2-CB 4.17Å; F401-M430 HydrophobicContact CE2-CG 3.74Å; F401-M430 HydrophobicContact CE2-SD 3.89Å; F401-M430 HydrophobicContact CZ-CB 4.13Å; F401-M430 HydrophobicContact CZ-CG 4.14Å; F401-M430 HydrophobicContact CZ-SD 4.14Å; F412-M430 HydrophobicContact CD1-CB 4.05Å; F412-M430 HydrophobicContact CE1-CB 3.82Å; E426-M430 WeakPolarHBondContact O-CG 3.39Å; E426-M430 PolarHBondContact O-N 2.91Å; V427-M430 HydrophobicContact CB-CE 4.41Å; V427-M430 HydrophobicContact CG2-CE 4.2Å; R428-M430 VanDerWaalsContact C-N 3.35Å; R428-M430 PolarHBondContact O-N 3.2Å; M430-N434 PolarHBondContact O-ND2 3.38Å
431	A	92.8	Very high	87.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-73.3	-47.4	177.5	0	0	0	0	0	113.1	F412 S414 R428 W429 Y433 N434 R435 G436 F438	F412-A431 VanDerWaalsContact O-CA 3.29Å; F412-A431 WeakPolarHBondContact O-CA 3.4Å; F412-A431 WeakPolarHBondContact O-CB 3.18Å; S414-A431 VanDerWaalsContact OG-CB 3.27Å; S414-A431 WeakPolarHBondContact OG-CB 3.37Å; R428-A431 PolarHBondContact O-N 3.25Å; W429-A431 VanDerWaalsContact C-N 3.29Å; W429-A431 PolarHBondContact O-N 3.24Å; A431-Y433 PolarHBondContact O-N 2.85Å; A431-N434 CarbonylContact O-C 3.38Å; A431-N434 PolarHBondContact O-N 3.36Å; A431-R435 PolarHBondContact O-N 3.49Å; A431-G436 PolarHBondContact O-N 3.34Å; A431-F438 HydrophobicContact CB-CB 4.22Å
432	C	91.8	Very high	88.5	Confident	80 Å²	80	56.1 Å²	56.1	54%	0.541	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-41.4	-178.6	-69.9	0	0	0	0	112.4	R428 W429 N434	R428-C432 WeakPolarHBondContact O-CB 3.24Å; R428-C432 PolarHBondContact O-N 3.33Å; R428-C432 PolarHBondContact O-SG 2.84Å; R428-C432 VanDerWaalsContact O-SG 3.39Å; W429-C432 PolarHBondContact O-N 3.03Å; C432-N434 VanDerWaalsContact C-N 3.25Å; C432-N434 PolarHBondContact O-N 3.21Å
433	Y	91.9	Very high	89.7	Confident	82 Å²	82	53 Å²	53	32%	0.322	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-26	-179.5	-173.6	-114.8	0	0	0	112.9	N402 W429 A431	N402-Y433 PolarHBondContact OD1-OH 3.48Å; W429-Y433 AromaticContact CH2-CD1 3.4Å; W429-Y433 HydrophobicContact CH2-CD1 3.4Å; W429-Y433 VanDerWaalsContact CH2-CD1 3.4Å; W429-Y433 HydrophobicContact CH2-CD2 4.2Å; W429-Y433 AromaticContact CH2-CE1 3.76Å; W429-Y433 HydrophobicContact CH2-CE1 3.76Å; W429-Y433 AromaticContact CH2-CG 3.65Å; W429-Y433 HydrophobicContact CH2-CG 3.65Å; W429-Y433 AromaticContact CZ2-CD1 3.92Å; W429-Y433 HydrophobicContact CZ2-CD1 3.92Å; W429-Y433 AromaticContact CZ2-CD2 3.84Å; W429-Y433 HydrophobicContact CZ2-CD2 3.84Å; W429-Y433 HydrophobicContact CZ2-CE1 4.27Å; W429-Y433 HydrophobicContact CZ2-CE2 4.24Å; W429-Y433 AromaticContact CZ2-CG 3.69Å; W429-Y433 HydrophobicContact CZ2-CG 3.69Å; W429-Y433 AromaticContact CZ3-CD1 3.86Å; W429-Y433 HydrophobicContact CZ3-CD1 3.86Å; W429-Y433 HydrophobicContact CZ3-CG 4.13Å; W429-Y433 VanDerWaalsContact O-CB 3.22Å; W429-Y433 WeakPolarHBondContact O-CB 3.12Å; W429-Y433 PolarHBondContact O-N 3.42Å; A431-Y433 PolarHBondContact O-N 2.85Å
434	N	91.2	Very high	90.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	34.6	-176.9	-60.5	-74.5	0	0	0	113.2	F401 N405 K408 R411 F412 M430 A431 C432 G436	F401-N434 WeakPolarHBondContact CD1-ND2 3.41Å; F401-N434 WeakPolarHBondContact CD1-OD1 3.34Å; F401-N434 VanDerWaalsContact CE1-ND2 3.29Å; F401-N434 WeakPolarHBondContact CE1-ND2 3.46Å; F401-N434 WeakPolarHBondContact CG-ND2 3.47Å; N405-N434 PolarHBondContact ND2-OD1 2.89Å; K408-N434 WeakPolarHBondContact CD-OD1 3.11Å; K408-N434 PolarHBondContact NZ-OD1 3.5Å; R411-N434 WeakPolarHBondContact CA-O 3.32Å; F412-N434 HydrophobicContact CB-CB 3.6Å; F412-N434 PolarHBondContact N-O 3.08Å; M430-N434 PolarHBondContact O-ND2 3.38Å; A431-N434 CarbonylContact O-C 3.38Å; A431-N434 PolarHBondContact O-N 3.36Å; C432-N434 VanDerWaalsContact C-N 3.25Å; C432-N434 PolarHBondContact O-N 3.21Å; N434-G436 PolarHBondContact O-N 3.41Å
435	R	88.8	Confident	90.9	Very high	82 Å²	82	54.8 Å²	54.8	31%	0.309	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	27.8	171.8	-57.8	-176.2	177.9	-159.6	-2.7	115.1	K408 A431 E1140	K408-R435 HydrophobicContact CB-CG 4.3Å; A431-R435 PolarHBondContact O-N 3.49Å; R435-E1140 IonicContact CZ-OE2 3.9Å; R435-E1140 IonicContact NH1-OE2 3.93Å; R435-E1140 IonicContact NH2-OE2 4Å
436	G	89.4	Confident	90.9	Very high	12 Å²	12	48 Å²	48	12%	0.124	24%	0.24	C	C	.	.			trans	-106.3	-144.9	173.4	0	0	0	0	0	112.1	F412 A431 N434	F412-G436 VanDerWaalsContact O-CA 3.22Å; F412-G436 WeakPolarHBondContact O-CA 3.37Å; A431-G436 PolarHBondContact O-N 3.34Å; N434-G436 PolarHBondContact O-N 3.41Å
437	Y	91.9	Very high	90.9	Very high	101 Å²	101	46.6 Å²	46.6	40%	0.396	23%	0.234	S	C	.	.			trans	-144.9	147.2	-175.1	-169.7	-102.1	0	0	0	111.4	F413 S414 A439 S453 I457	F413-Y437 WeakPolarHBondContact CA-O 3.25Å; S414-Y437 PolarHBondContact N-O 2.89Å; Y437-A439 HydrophobicContact CD1-CB 4.46Å; Y437-A439 HydrophobicContact CE1-CB 4.32Å; Y437-S453 WeakPolarHBondContact CD1-OG 3.29Å; Y437-S453 WeakPolarHBondContact CE1-OG 3.47Å; Y437-I457 HydrophobicContact CD2-CD1 3.92Å; Y437-I457 HydrophobicContact CD2-CG1 4.14Å; Y437-I457 HydrophobicContact CG-CD1 4.45Å; Y437-I457 HydrophobicContact CG-CG1 4.17Å
438	F	92.9	Very high	90.7	Very high	28 Å²	28	48.6 Å²	48.6	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.8	179.7	167	-92.3	0	0	0	108.7	S414 L416 F424 V427 R428 A431 H440	S414-F438 WeakPolarHBondContact O-CA 3.01Å; S414-F438 WeakPolarHBondContact OG-CD2 3.27Å; L416-F438 HydrophobicContact CB-CE2 3.83Å; L416-F438 HydrophobicContact CB-CZ 4.05Å; L416-F438 HydrophobicContact CD2-CE2 4.03Å; L416-F438 HydrophobicContact CD2-CZ 3.86Å; F424-F438 HydrophobicContact CD2-CE1 4.06Å; F424-F438 AromaticContact CD2-CZ 3.57Å; F424-F438 HydrophobicContact CD2-CZ 3.57Å; F424-F438 HydrophobicContact CE1-CE1 4.2Å; F424-F438 HydrophobicContact CE1-CZ 4.41Å; F424-F438 HydrophobicContact CE2-CD1 4.41Å; F424-F438 AromaticContact CE2-CE1 3.19Å; F424-F438 HydrophobicContact CE2-CE1 3.19Å; F424-F438 HydrophobicContact CE2-CE2 4.4Å; F424-F438 AromaticContact CE2-CZ 3.18Å; F424-F438 HydrophobicContact CE2-CZ 3.18Å; F424-F438 HydrophobicContact CG-CZ 4.34Å; F424-F438 HydrophobicContact CZ-CD1 4.14Å; F424-F438 AromaticContact CZ-CE1 3.26Å; F424-F438 HydrophobicContact CZ-CE1 3.26Å; F424-F438 AromaticContact CZ-CZ 3.66Å; F424-F438 HydrophobicContact CZ-CZ 3.66Å; V427-F438 HydrophobicContact CG1-CD2 4.29Å; V427-F438 HydrophobicContact CG1-CE2 4.15Å; R428-F438 HydrophobicContact CB-CD1 4.47Å; R428-F438 HydrophobicContact CB-CD2 3.94Å; R428-F438 HydrophobicContact CB-CE2 4.29Å; R428-F438 HydrophobicContact CB-CG 4.04Å; R428-F438 HydrophobicContact CG-CB 4.26Å; R428-F438 HydrophobicContact CG-CD1 4.33Å; R428-F438 HydrophobicContact CG-CD2 4.49Å; R428-F438 HydrophobicContact CG-CG 4.08Å; A431-F438 HydrophobicContact CB-CB 4.22Å; F438-H440 HydrophobicContact CE1-CB 4.22Å; F438-H440 HydrophobicContact CZ-CB 4.2Å
439	A	92.8	Very high	90.3	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.2	175.3	0	0	0	0	0	110.6	S414 Y415 L416 Y437 K450	S414-A439 PolarHBondContact O-N 2.98Å; Y415-A439 WeakPolarHBondContact CA-O 3.35Å; Y415-A439 HydrophobicContact CD1-CB 3.8Å; Y415-A439 HydrophobicContact CE1-CB 4.03Å; L416-A439 PolarHBondContact N-O 3.32Å; Y437-A439 HydrophobicContact CD1-CB 4.46Å; Y437-A439 HydrophobicContact CE1-CB 4.32Å; A439-K450 HydrophobicContact CB-CB 4.21Å
440	H	92.8	Very high	90.2	Very high	61 Å²	61	48.1 Å²	48.1	28%	0.282	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126	173.3	179.1	-134.2	0	0	0	108.8	L416 G418 F438 S442	L416-H440 PolarHBondContact O-CD2 3.07Å; G418-H440 PolarHBondContact O-NE2 3.28Å; F438-H440 HydrophobicContact CE1-CB 4.22Å; F438-H440 HydrophobicContact CZ-CB 4.2Å; H440-S442 PolarHBondContact CE1-OG 3.41Å
441	I	92.9	Very high	90.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	104	-177.6	-57.1	178.8	0	0	0	107.7	I295 T299 Y415 L416 G418 N443 D446 V447 K450	I295-I441 HydrophobicContact CG2-CG2 3.56Å; T299-I441 HydrophobicContact CG2-CD1 3.74Å; Y415-I441 HydrophobicContact CD1-CD1 3.92Å; Y415-I441 HydrophobicContact CG-CD1 4.46Å; L416-I441 PolarHBondContact O-N 2.97Å; G418-I441 PolarHBondContact N-O 3.48Å; I441-N443 WeakPolarHBondContact CG2-O 3.24Å; I441-D446 HydrophobicContact CG2-CB 4.4Å; I441-V447 HydrophobicContact CG2-CG2 3.8Å; I441-K450 HydrophobicContact CD1-CB 4.43Å; I441-K450 HydrophobicContact CG1-CB 4.05Å; I441-K450 HydrophobicContact CG1-CG 4.29Å
442	S	89.8	Confident	89.8	Confident	29 Å²	29	48.6 Å²	48.6	20%	0.203	25%	0.251	C	S	.	.			trans	-79.2	-47.4	179.8	-88.2	0	0	0	0	111.4	D419 H440 D446	D419-S442 WeakPolarHBondContact OD1-CA 3.47Å; D419-S442 WeakPolarHBondContact OD1-CB 3.44Å; D419-S442 PolarHBondContact OD1-OG 2.92Å; H440-S442 PolarHBondContact CE1-OG 3.41Å; S442-D446 WeakPolarHBondContact CB-OD2 3.49Å; S442-D446 PolarHBondContact N-OD2 3.28Å
443	N	89.4	Confident	89.5	Confident	68 Å²	68	46 Å²	46	36%	0.364	23%	0.234	S	C	.	.	S	Bend	trans	-137.4	174.9	-173.3	66.4	63.1	0	0	0	112.1	I441 A445 D446	I441-N443 WeakPolarHBondContact CG2-O 3.24Å; N443-A445 VanDerWaalsContact C-N 3.31Å; N443-A445 PolarHBondContact O-N 3.46Å; N443-A445 WeakPolarHBondContact OD1-CA 3.23Å; N443-A445 VanDerWaalsContact OD1-CB 3.28Å; N443-A445 WeakPolarHBondContact OD1-CB 3.41Å; N443-A445 PolarHBondContact OD1-N 3.01Å; N443-D446 PolarHBondContact N-OD2 3.23Å; N443-D446 PolarHBondContact ND2-OD1 3.32Å; N443-D446 PolarHBondContact ND2-OD2 3.27Å; N443-D446 VanDerWaalsContact ND2-OD2 3.12Å; N443-D446 PolarHBondContact O-N 2.91Å; N443-D446 PolarHBondContact OD1-N 3.44Å; N443-D446 VanDerWaalsContact OD1-N 3.1Å; N443-D446 PolarHBondContact OD1-OD1 3.18Å
444	L	89.7	Confident	89.4	Confident	94 Å²	94	42.2 Å²	42.2	49%	0.492	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-28.8	-179.5	-74.7	166.8	0	0	0	114.1	I295 Q298 D446 V447	I295-L444 HydrophobicContact CB-CD2 4.48Å; I295-L444 HydrophobicContact CG1-CD2 4.02Å; I295-L444 HydrophobicContact CG1-CG 4.05Å; Q298-L444 HydrophobicContact CB-CD2 3.7Å; Q298-L444 HydrophobicContact CG-CD2 3.96Å; L444-D446 VanDerWaalsContact C-N 3.35Å; L444-V447 WeakPolarHBondContact O-CB 3.38Å; L444-V447 WeakPolarHBondContact O-CG2 3.43Å; L444-V447 PolarHBondContact O-N 2.97Å
445	A	86.2	Confident	89.3	Confident	85 Å²	85	42.3 Å²	42.3	70%	0.702	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-29.9	-179	0	0	0	0	0	112	N443 V447	N443-A445 VanDerWaalsContact C-N 3.31Å; N443-A445 PolarHBondContact O-N 3.46Å; N443-A445 WeakPolarHBondContact OD1-CA 3.23Å; N443-A445 VanDerWaalsContact OD1-CB 3.28Å; N443-A445 WeakPolarHBondContact OD1-CB 3.41Å; N443-A445 PolarHBondContact OD1-N 3.01Å; A445-V447 VanDerWaalsContact C-N 3.25Å; A445-V447 PolarHBondContact O-N 2.94Å
446	D	88.1	Confident	89.2	Confident	44 Å²	44	41 Å²	41	24%	0.235	22%	0.221	C	C	.	.	H	α-helix	trans	-69.5	-24.2	178.7	-57.4	-24.3	0	0	0	112.6	I441 S442 N443 L444 Q448 E449 K450	I441-D446 HydrophobicContact CG2-CB 4.4Å; S442-D446 WeakPolarHBondContact CB-OD2 3.49Å; S442-D446 PolarHBondContact N-OD2 3.28Å; N443-D446 PolarHBondContact N-OD2 3.23Å; N443-D446 PolarHBondContact ND2-OD1 3.32Å; N443-D446 PolarHBondContact ND2-OD2 3.27Å; N443-D446 VanDerWaalsContact ND2-OD2 3.12Å; N443-D446 PolarHBondContact O-N 2.91Å; N443-D446 PolarHBondContact OD1-N 3.44Å; N443-D446 VanDerWaalsContact OD1-N 3.1Å; N443-D446 PolarHBondContact OD1-OD1 3.18Å; L444-D446 VanDerWaalsContact C-N 3.35Å; D446-Q448 VanDerWaalsContact C-N 3.35Å; D446-Q448 PolarHBondContact O-N 3.05Å; D446-E449 PolarHBondContact O-N 3.28Å; D446-K450 HydrophobicContact CB-CG 4.19Å; D446-K450 WeakPolarHBondContact O-CB 2.99Å; D446-K450 VanDerWaalsContact O-CG 3.28Å; D446-K450 WeakPolarHBondContact O-CG 3.16Å; D446-K450 PolarHBondContact O-N 2.84Å
447	V	90	Very high	89.1	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.012	22%	0.217	C	C	.	.	H	α-helix	trans	-53.8	-48	-169.8	173.9	0	0	0	0	112.3	I295 Q298 M302 I441 L444 A445 E449 K450 V451	I295-V447 HydrophobicContact CG2-CG2 4.3Å; Q298-V447 HydrophobicContact CG-CG1 4.28Å; Q298-V447 HydrophobicContact CG-CG2 4.49Å; M302-V447 HydrophobicContact CB-CG1 3.93Å; M302-V447 HydrophobicContact CG-CG1 4.33Å; I441-V447 HydrophobicContact CG2-CG2 3.8Å; L444-V447 WeakPolarHBondContact O-CB 3.38Å; L444-V447 WeakPolarHBondContact O-CG2 3.43Å; L444-V447 PolarHBondContact O-N 2.97Å; A445-V447 VanDerWaalsContact C-N 3.25Å; A445-V447 PolarHBondContact O-N 2.94Å; V447-E449 PolarHBondContact O-N 2.86Å; V447-K450 PolarHBondContact O-N 2.77Å; V447-V451 HydrophobicContact CG1-CG2 4.16Å; V447-V451 WeakPolarHBondContact O-CB 3.49Å; V447-V451 VanDerWaalsContact O-CG2 3.26Å; V447-V451 WeakPolarHBondContact O-CG2 3.36Å; V447-V451 PolarHBondContact O-N 3.17Å
448	Q	85.8	Confident	88.8	Confident	41 Å²	41	36 Å²	36	19%	0.192	20%	0.198	C	C	.	.	H	α-helix	trans	-62.6	-47.5	-175.1	-175.9	174.9	-7.4	0	0	111.8	M302 D446 Q452	M302-Q448 HydrophobicContact CE-CB 3.92Å; M302-Q448 HydrophobicContact CE-CG 3.96Å; M302-Q448 HydrophobicContact SD-CG 4.19Å; D446-Q448 VanDerWaalsContact C-N 3.35Å; D446-Q448 PolarHBondContact O-N 3.05Å; Q448-Q452 VanDerWaalsContact O-CG 3.31Å; Q448-Q452 WeakPolarHBondContact O-CG 3.34Å; Q448-Q452 PolarHBondContact O-N 3.09Å
449	E	83.8	Confident	88.4	Confident	130 Å²	130	34.8 Å²	34.8	61%	0.607	19%	0.193	S	C	*	.	H	α-helix	trans	-68	-44.1	-179.2	-169.6	-164.9	140.7	0	0	111.4	D446 V447 Q452	D446-E449 PolarHBondContact O-N 3.28Å; V447-E449 PolarHBondContact O-N 2.86Å; E449-Q452 PolarHBondContact O-N 2.78Å
450	K	89.9	Confident	87.9	Confident	68 Å²	68	40.7 Å²	40.7	30%	0.296	22%	0.215	S	C	.	.	H	α-helix	trans	-70.7	-34.2	-176.7	-64.6	-55.3	-179.3	-156.5	0	113.1	A439 I441 D446 V447 S453	A439-K450 HydrophobicContact CB-CB 4.21Å; I441-K450 HydrophobicContact CD1-CB 4.43Å; I441-K450 HydrophobicContact CG1-CB 4.05Å; I441-K450 HydrophobicContact CG1-CG 4.29Å; D446-K450 HydrophobicContact CB-CG 4.19Å; D446-K450 WeakPolarHBondContact O-CB 2.99Å; D446-K450 VanDerWaalsContact O-CG 3.28Å; D446-K450 WeakPolarHBondContact O-CG 3.16Å; D446-K450 PolarHBondContact O-N 2.84Å; V447-K450 PolarHBondContact O-N 2.77Å; K450-S453 PolarHBondContact O-OG 3.24Å
451	V	90.7	Very high	87.2	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-69.9	-42	175.8	169.8	0	0	0	0	110.5	T299 M302 I303 Y415 V447 S453 Y454	T299-V451 HydrophobicContact CG2-CG2 3.75Å; M302-V451 HydrophobicContact CB-CB 4.46Å; M302-V451 HydrophobicContact CB-CG1 4.38Å; M302-V451 HydrophobicContact CB-CG2 4.28Å; M302-V451 HydrophobicContact CG-CB 3.8Å; M302-V451 HydrophobicContact CG-CG1 3.82Å; M302-V451 HydrophobicContact CG-CG2 4.12Å; I303-V451 HydrophobicContact CB-CG1 4.43Å; I303-V451 HydrophobicContact CG1-CG1 3.56Å; I303-V451 HydrophobicContact CG1-CG2 4.1Å; Y415-V451 HydrophobicContact CE1-CG2 4.33Å; V447-V451 HydrophobicContact CG1-CG2 4.16Å; V447-V451 WeakPolarHBondContact O-CB 3.49Å; V447-V451 VanDerWaalsContact O-CG2 3.26Å; V447-V451 WeakPolarHBondContact O-CG2 3.36Å; V447-V451 PolarHBondContact O-N 3.17Å; V451-S453 PolarHBondContact O-N 3.05Å; V451-Y454 HydrophobicContact CG1-CD1 4.38Å; V451-Y454 HydrophobicContact CG1-CE1 4.37Å; V451-Y454 WeakPolarHBondContact O-CD1 3.13Å; V451-Y454 PolarHBondContact O-N 2.53Å
452	Q	85.2	Confident	86.3	Confident	11 Å²	11	38.2 Å²	38.2	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-21.6	-177.9	-75.3	175.4	-16.5	0	0	114.1	D261 R263 N264 Q448 E449 Y454 I455	D261-Q452 PolarHBondContact OD2-NE2 3.1Å; R263-Q452 VanDerWaalsContact NH1-OE1 3.08Å; N264-Q452 PolarHBondContact OD1-NE2 2.82Å; Q448-Q452 VanDerWaalsContact O-CG 3.31Å; Q448-Q452 WeakPolarHBondContact O-CG 3.34Å; Q448-Q452 PolarHBondContact O-N 3.09Å; E449-Q452 PolarHBondContact O-N 2.78Å; Q452-Y454 PolarHBondContact O-N 3.07Å; Q452-I455 WeakPolarHBondContact O-CB 3.2Å; Q452-I455 PolarHBondContact O-N 3.2Å; Q452-I455 VanDerWaalsContact O-N 3.12Å
453	S	85.9	Confident	85.3	Confident	26 Å²	26	37.2 Å²	37.2	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-24.2	-179.2	73.4	0	0	0	0	113.8	Y437 K450 V451 I455 T456	Y437-S453 WeakPolarHBondContact CD1-OG 3.29Å; Y437-S453 WeakPolarHBondContact CE1-OG 3.47Å; K450-S453 PolarHBondContact O-OG 3.24Å; V451-S453 PolarHBondContact O-N 3.05Å; S453-I455 PolarHBondContact O-N 3.05Å; S453-T456 PolarHBondContact O-N 3.38Å
454	Y	90.4	Very high	83.9	Confident	1 Å²	1	35.8 Å²	35.8	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-31.4	177.3	91.5	-104.5	0	0	0	111.3	K276 T306 M387 V451 Q452 T456 I457 M458	K276-Y454 HydrophobicContact CD-CE2 4.38Å; K276-Y454 WeakPolarHBondContact CE-OH 3.5Å; T306-Y454 VanDerWaalsContact CB-OH 3.29Å; T306-Y454 WeakPolarHBondContact CB-OH 3.48Å; T306-Y454 PolarHBondContact O-OH 3.01Å; T306-Y454 WeakPolarHBondContact OG1-CE1 3.39Å; T306-Y454 PolarHBondContact OG1-OH 2.71Å; M387-Y454 HydrophobicContact CE-CD1 4.21Å; M387-Y454 HydrophobicContact CE-CD2 4.07Å; M387-Y454 HydrophobicContact CE-CE1 4.47Å; M387-Y454 HydrophobicContact CE-CE2 4.33Å; M387-Y454 HydrophobicContact CE-CG 4.08Å; V451-Y454 HydrophobicContact CG1-CD1 4.38Å; V451-Y454 HydrophobicContact CG1-CE1 4.37Å; V451-Y454 WeakPolarHBondContact O-CD1 3.13Å; V451-Y454 PolarHBondContact O-N 2.53Å; Q452-Y454 PolarHBondContact O-N 3.07Å; Y454-T456 PolarHBondContact O-N 3.21Å; Y454-I457 WeakPolarHBondContact O-CB 3.38Å; Y454-I457 PolarHBondContact O-N 3.01Å; Y454-I457 VanDerWaalsContact O-N 3.11Å; Y454-M458 HydrophobicContact CD2-CG 3.73Å; Y454-M458 HydrophobicContact CE2-CG 4.19Å; Y454-M458 VanDerWaalsContact O-CG 3.31Å; Y454-M458 WeakPolarHBondContact O-CG 3.49Å; Y454-M458 PolarHBondContact O-N 3.12Å
455	I	89.3	Confident	82.7	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-45.9	-179.3	-64.7	170.9	0	0	0	110.3	Y268 I269 A272 T273 Q452 S453 I457 M458 S459	Y268-I455 HydrophobicContact CE1-CG2 4.1Å; I269-I455 HydrophobicContact CG1-CD1 4.36Å; A272-I455 HydrophobicContact CB-CG2 3.79Å; T273-I455 HydrophobicContact CG2-CB 4.21Å; T273-I455 HydrophobicContact CG2-CG1 4.26Å; T273-I455 HydrophobicContact CG2-CG2 3.77Å; Q452-I455 WeakPolarHBondContact O-CB 3.2Å; Q452-I455 PolarHBondContact O-N 3.2Å; Q452-I455 VanDerWaalsContact O-N 3.12Å; S453-I455 PolarHBondContact O-N 3.05Å; I455-I457 PolarHBondContact O-N 2.67Å; I455-M458 PolarHBondContact O-N 3.43Å; I455-M458 VanDerWaalsContact O-N 3.16Å; I455-S459 PolarHBondContact O-N 3.06Å; I455-S459 PolarHBondContact O-OG 2.69Å
456	T	86	Confident	81.4	Confident	54 Å²	54	40 Å²	40	33%	0.331	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-31	177.6	-53.1	0	0	0	0	112.6	S453 Y454 S459	S453-T456 PolarHBondContact O-N 3.38Å; Y454-T456 PolarHBondContact O-N 3.21Å; T456-S459 PolarHBondContact O-OG 2.93Å
457	I	87.1	Confident	80.3	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-76.3	-46.4	177.4	-56.1	-66.5	0	0	0	109.2	R411 F413 Y437 Y454 I455 S459 R460	R411-I457 PolarHBondContact NH1-O 3.13Å; F413-I457 HydrophobicContact CE1-CB 4.14Å; F413-I457 HydrophobicContact CE1-CG2 4.12Å; F413-I457 HydrophobicContact CZ-CB 4.41Å; F413-I457 HydrophobicContact CZ-CG2 4.21Å; Y437-I457 HydrophobicContact CD2-CD1 3.92Å; Y437-I457 HydrophobicContact CD2-CG1 4.14Å; Y437-I457 HydrophobicContact CG-CD1 4.45Å; Y437-I457 HydrophobicContact CG-CG1 4.17Å; Y454-I457 WeakPolarHBondContact O-CB 3.38Å; Y454-I457 PolarHBondContact O-N 3.01Å; Y454-I457 VanDerWaalsContact O-N 3.11Å; I455-I457 PolarHBondContact O-N 2.67Å; I457-S459 PolarHBondContact O-N 2.88Å; I457-R460 VanDerWaalsContact CD1-NH2 3.28Å; I457-R460 WeakPolarHBondContact O-CB 3.43Å; I457-R460 WeakPolarHBondContact O-CG 3.24Å; I457-R460 PolarHBondContact O-N 3.29Å
458	M	86.8	Confident	79.4	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-26	177.3	-65.8	-64.2	-76.8	0	0	113.3	T273 K276 H383 R411 F413 Y454 I455 R460 P461	T273-M458 HydrophobicContact CG2-CB 3.67Å; K276-M458 HydrophobicContact CB-CE 4.33Å; K276-M458 HydrophobicContact CD-CE 4.46Å; H383-M458 HydrophobicContact CB-CE 3.48Å; H383-M458 VanDerWaalsContact CB-CE 3.48Å; R411-M458 VanDerWaalsContact CD-SD 3.58Å; F413-M458 HydrophobicContact CE2-SD 4.06Å; F413-M458 HydrophobicContact CZ-CG 4.16Å; F413-M458 HydrophobicContact CZ-SD 3.95Å; Y454-M458 HydrophobicContact CD2-CG 3.73Å; Y454-M458 HydrophobicContact CE2-CG 4.19Å; Y454-M458 VanDerWaalsContact O-CG 3.31Å; Y454-M458 WeakPolarHBondContact O-CG 3.49Å; Y454-M458 PolarHBondContact O-N 3.12Å; I455-M458 PolarHBondContact O-N 3.43Å; I455-M458 VanDerWaalsContact O-N 3.16Å; M458-R460 VanDerWaalsContact C-N 3.32Å; M458-R460 PolarHBondContact O-N 3.08Å; M458-P461 VanDerWaalsContact O-CD 3.23Å; M458-P461 WeakPolarHBondContact O-CD 3.43Å
459	S	84.9	Confident	78.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.007	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.2	177	66.4	0	0	0	0	114.8	A272 I455 T456 I457 V462 A463 F498	A272-S459 VanDerWaalsContact O-CA 3.28Å; A272-S459 WeakPolarHBondContact O-CA 3.49Å; A272-S459 VanDerWaalsContact O-CB 3.27Å; A272-S459 WeakPolarHBondContact O-CB 3.47Å; I455-S459 PolarHBondContact O-N 3.06Å; I455-S459 PolarHBondContact O-OG 2.69Å; T456-S459 PolarHBondContact O-OG 2.93Å; I457-S459 PolarHBondContact O-N 2.88Å; S459-V462 WeakPolarHBondContact O-CB 3.25Å; S459-V462 PolarHBondContact O-N 3.19Å; S459-A463 PolarHBondContact O-N 3.2Å; S459-F498 WeakPolarHBondContact OG-CB 3.3Å
460	R	82.1	Confident	78.9	Confident	128 Å²	128	45 Å²	45	48%	0.483	23%	0.228	S	C	.	.	H	α-helix	trans	-58	-45.2	-177.5	-69.2	176.9	178.5	178.6	-2.2	114.8	I457 M458 V462 A463 G464	I457-R460 VanDerWaalsContact CD1-NH2 3.28Å; I457-R460 WeakPolarHBondContact O-CB 3.43Å; I457-R460 WeakPolarHBondContact O-CG 3.24Å; I457-R460 PolarHBondContact O-N 3.29Å; M458-R460 VanDerWaalsContact C-N 3.32Å; M458-R460 PolarHBondContact O-N 3.08Å; R460-V462 PolarHBondContact O-N 3.46Å; R460-A463 WeakPolarHBondContact O-CA 3.31Å; R460-A463 WeakPolarHBondContact O-CB 3.44Å; R460-A463 PolarHBondContact O-N 2.58Å; R460-G464 PolarHBondContact O-N 3.26Å
461	P	77	Confident	78.8	Confident	6 Å²	6	43 Å²	43	4%	0.039	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-28.3	178.4	-21.6	35.2	0	0	0	112.7	M458 A463 V1133	M458-P461 VanDerWaalsContact O-CD 3.23Å; M458-P461 WeakPolarHBondContact O-CD 3.43Å; P461-A463 VanDerWaalsContact C-N 3.31Å; P461-V1133 HydrophobicContact CG-CG2 4.5Å
462	V	75.1	Confident	78.7	Confident	3 Å²	3	44 Å²	44	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-69.1	-35.6	175.1	-165.1	0	0	0	0	110.1	S459 R460 G464 P491 I493 Y1131	S459-V462 WeakPolarHBondContact O-CB 3.25Å; S459-V462 PolarHBondContact O-N 3.19Å; R460-V462 PolarHBondContact O-N 3.46Å; V462-G464 VanDerWaalsContact C-N 3.31Å; V462-G464 PolarHBondContact O-N 2.92Å; V462-P491 HydrophobicContact CG1-CB 4.37Å; V462-P491 HydrophobicContact CG1-CG 3.76Å; V462-I493 HydrophobicContact CG1-CD1 4.04Å; V462-I493 WeakPolarHBondContact O-CD1 3.41Å; V462-Y1131 HydrophobicContact CG1-CD2 4.44Å; V462-Y1131 HydrophobicContact CG2-CD2 4.47Å
463	A	67.8	Low	78.8	Confident	8 Å²	8	43.7 Å²	43.7	7%	0.066	22%	0.224	C	C	.	.	H	α-helix	trans	-70.3	-22.3	-179	0	0	0	0	0	114.5	S459 R460 P461 R465 I493 E496	S459-A463 PolarHBondContact O-N 3.2Å; R460-A463 WeakPolarHBondContact O-CA 3.31Å; R460-A463 WeakPolarHBondContact O-CB 3.44Å; R460-A463 PolarHBondContact O-N 2.58Å; P461-A463 VanDerWaalsContact C-N 3.31Å; A463-R465 VanDerWaalsContact C-N 3.26Å; A463-R465 PolarHBondContact O-N 3.46Å; A463-I493 HydrophobicContact CB-CD1 4.42Å; A463-I493 HydrophobicContact CB-CG1 4.09Å; A463-I493 HydrophobicContact CB-CG2 3.82Å; A463-E496 WeakPolarHBondContact CB-O 3.35Å
464	G	60.6	Low	78.7	Confident	38 Å²	38	42.9 Å²	42.9	39%	0.392	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-8.5	-179.7	0	0	0	0	0	115.2	R460 V462	R460-G464 PolarHBondContact O-N 3.26Å; V462-G464 VanDerWaalsContact C-N 3.31Å; V462-G464 PolarHBondContact O-N 2.92Å
465	R	64.5	Low	78.6	Confident	108 Å²	108	43.1 Å²	43.1	41%	0.408	22%	0.222	S	C	.	.			trans	-113	147.8	-175.3	-71.7	-172.8	169	-151.2	-2.7	113.2	A463 H467 D1135	A463-R465 VanDerWaalsContact C-N 3.26Å; A463-R465 PolarHBondContact O-N 3.46Å; R465-H467 VanDerWaalsContact C-N 3.34Å; R465-H467 PolarHBondContact O-N 2.82Å; R465-D1135 IonicContact CZ-OD2 3.14Å; R465-D1135 IonicContact NE-OD2 3.84Å; R465-D1135 PolarHBondContact NE-OD2 3.48Å; R465-D1135 VanDerWaalsContact NE-OD2 3.11Å; R465-D1135 IonicContact NH2-OD1 3.14Å; R465-D1135 PolarHBondContact NH2-OD1 3.2Å; R465-D1135 VanDerWaalsContact NH2-OD1 3.14Å; R465-D1135 IonicContact NH2-OD2 2.63Å; R465-D1135 PolarHBondContact NH2-OD2 2.86Å
466	N	59.1	Low	78.5	Confident	159 Å²	159	44.1 Å²	44.1	85%	0.85	23%	0.226	S	C	*	.	S	Bend	trans	-76.1	-16.3	179.1	-78.8	-23.2	0	0	0	114.4
467	H	64.1	Low	78.6	Confident	161 Å²	161	42.3 Å²	42.3	75%	0.745	21%	0.214	S	C	*	.			trans	-131.3	123.4	-176.9	-66.8	-61.9	0	0	0	110.8	R465	R465-H467 VanDerWaalsContact C-N 3.34Å; R465-H467 PolarHBondContact O-N 2.82Å
468	T	70.7	Confident	78.5	Confident	29 Å²	29	42 Å²	42	18%	0.178	21%	0.212	C	C	.	.			trans	-104.5	129.8	177.4	55	0	0	0	0	109.8	P491 I493	T468-P491 HydrophobicContact CG2-CG 3.81Å; T468-I493 HydrophobicContact CG2-CD1 3.67Å
469	E	75.9	Confident	78.3	Confident	100 Å²	100	44.3 Å²	44.3	47%	0.467	22%	0.223	S	C	.	.			trans	-82.2	144.2	171.2	-69.9	-172.9	-146.7	0	0	111.3	V1129 Y1131	E469-V1129 HydrophobicContact CB-CG1 4.32Å; E469-V1129 HydrophobicContact CB-CG2 4.13Å; E469-V1129 HydrophobicContact CG-CG2 4.42Å; E469-V1129 WeakPolarHBondContact OE2-CG2 3.32Å; E469-Y1131 PolarHBondContact N-OH 2.9Å
470	P	84.9	Confident	78.1	Confident	32 Å²	32	44.2 Å²	44.2	21%	0.208	22%	0.222	C	C	.	.			trans	-70.7	148.5	176.6	24	-26.9	0	0	0	111.5	R96 V488 A489 F490	R96-P470 HydrophobicContact CG-CG 4.24Å; P470-V488 HydrophobicContact CB-CG2 3.58Å; P470-A489 WeakPolarHBondContact CA-O 3.44Å; P470-F490 HydrophobicContact CB-CD1 4.17Å; P470-F490 HydrophobicContact CB-CD2 4.37Å; P470-F490 HydrophobicContact CB-CE1 3.61Å; P470-F490 HydrophobicContact CB-CE2 3.84Å; P470-F490 HydrophobicContact CB-CZ 3.45Å; P470-F490 VanDerWaalsContact CB-CZ 3.45Å; P470-F490 HydrophobicContact CG-CE1 3.93Å; P470-F490 HydrophobicContact CG-CZ 3.79Å
471	V	87.2	Confident	77.7	Confident	27 Å²	27	38.5 Å²	38.5	16%	0.164	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	136.3	166	-173.1	0	0	0	0	109.6	D270 V488 A489	D270-V471 HydrophobicContact CB-CG1 3.92Å; V471-V488 CarbonylContact O-C 3.55Å; V471-V488 WeakPolarHBondContact O-CA 3.23Å; V471-A489 PolarHBondContact N-O 2.93Å; V471-A489 PolarHBondContact O-N 2.92Å
472	W	87.6	Confident	77.7	Confident	20 Å²	20	41.9 Å²	41.9	8%	0.076	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.1	171.3	-75.9	93.2	0	0	0	109.1	L92 R95 T487 V488 N649	L92-W472 HydrophobicContact CB-CH2 3.98Å; L92-W472 HydrophobicContact CB-CZ2 3.91Å; L92-W472 HydrophobicContact CD2-CH2 3.48Å; L92-W472 VanDerWaalsContact CD2-CH2 3.48Å; L92-W472 HydrophobicContact CD2-CZ2 4.16Å; L92-W472 HydrophobicContact CD2-CZ3 3.73Å; L92-W472 HydrophobicContact CG-CH2 4.31Å; R95-W472 HydrophobicContact CB-CH2 4.28Å; W472-T487 WeakPolarHBondContact CA-O 3.26Å; W472-V488 HydrophobicContact CD2-CB 3.81Å; W472-V488 HydrophobicContact CD2-CG2 4.21Å; W472-V488 HydrophobicContact CE3-CB 3.84Å; W472-V488 HydrophobicContact CH2-CB 3.62Å; W472-V488 HydrophobicContact CH2-CG1 3.88Å; W472-V488 HydrophobicContact CH2-CG2 4.47Å; W472-V488 HydrophobicContact CZ2-CB 3.6Å; W472-V488 HydrophobicContact CZ2-CG1 4.11Å; W472-V488 HydrophobicContact CZ2-CG2 3.96Å; W472-V488 HydrophobicContact CZ3-CB 3.74Å; W472-V488 HydrophobicContact CZ3-CG1 4.25Å; W472-N649 PolarHBondContact NE1-O 3.07Å
473	T	88	Confident	78.1	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.025	22%	0.222	C	C	.	.			trans	-78.9	163.8	170.6	63.5	0	0	0	0	111.8	E266 W267 Y476 T487 M652	E266-T473 HydrophobicContact CG-CG2 4.33Å; W267-T473 HydrophobicContact CB-CG2 3.43Å; W267-T473 VanDerWaalsContact CB-CG2 3.43Å; T473-Y476 WeakPolarHBondContact OG1-CE1 3.39Å; T473-T487 PolarHBondContact N-O 3.35Å; T473-T487 PolarHBondContact OG1-N 2.98Å; T473-M652 WeakPolarHBondContact O-CE 3.44Å
474	G	84.8	Confident	79	Confident	10 Å²	10	43.2 Å²	43.2	10%	0.103	22%	0.224	C	C	.	.			trans	-63.8	-177.1	158.5	0	0	0	0	0	112.4	Y476	G474-Y476 PolarHBondContact O-N 3.2Å
475	A	87.7	Confident	80.4	Confident	6 Å²	6	41.4 Å²	41.4	5%	0.05	21%	0.205	C	C	.	.			trans	-74	121.4	173.8	0	0	0	0	0	110.4	V485 I508 V536 N554	A475-V485 WeakPolarHBondContact CA-O 3.47Å; A475-I508 HydrophobicContact CB-CD1 4Å; A475-I508 HydrophobicContact CB-CG1 4.26Å; A475-V536 HydrophobicContact CB-CG1 4.22Å; A475-N554 WeakPolarHBondContact O-CB 3.28Å
476	Y	87.4	Confident	81.6	Confident	24 Å²	24	36.3 Å²	36.3	9%	0.094	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	161.1	174.1	73.5	-86.9	0	0	0	110.9	Y232 W267 T473 G474 D478 L484 V485 T487 Y553	Y232-Y476 PolarHBondContact OH-OH 3.41Å; W267-Y476 AromaticContact CD1-CZ 3.94Å; T473-Y476 WeakPolarHBondContact OG1-CE1 3.39Å; G474-Y476 PolarHBondContact O-N 3.2Å; Y476-D478 HydrophobicContact CE2-CB 4.31Å; Y476-L484 CarbonylContact O-C 3.52Å; Y476-L484 WeakPolarHBondContact O-CA 3.45Å; Y476-V485 HydrophobicContact CD1-CG2 4.23Å; Y476-V485 HydrophobicContact CD2-CG2 4.3Å; Y476-V485 HydrophobicContact CE1-CG2 3.68Å; Y476-V485 HydrophobicContact CE2-CG2 3.73Å; Y476-V485 PolarHBondContact N-O 3Å; Y476-V485 PolarHBondContact O-N 3.13Å; Y476-T487 PolarHBondContact OH-OG1 3.02Å; Y476-Y553 WeakPolarHBondContact CA-OH 3.49Å
477	F	86.7	Confident	83.1	Confident	16 Å²	16	28.7 Å²	28.7	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.2	179.9	-171.6	-97.5	0	0	0	109.1	H482 L484 L544 P549 Y553	F477-H482 HydrophobicContact CE1-CB 4.4Å; F477-H482 AromaticContact CE1-ND1 3.61Å; F477-H482 VanDerWaalsContact CE2-O 3.32Å; F477-H482 WeakPolarHBondContact CE2-O 3.33Å; F477-H482 VanDerWaalsContact CZ-CA 3.42Å; F477-H482 HydrophobicContact CZ-CB 3.8Å; F477-H482 AromaticContact CZ-ND1 3.64Å; F477-L484 HydrophobicContact CB-CD2 4.18Å; F477-L484 HydrophobicContact CD2-CD2 4.32Å; F477-L544 HydrophobicContact CD2-CD2 3.6Å; F477-L544 HydrophobicContact CE2-CD1 4.37Å; F477-L544 HydrophobicContact CE2-CD2 3.52Å; F477-P549 HydrophobicContact CB-CB 4.05Å; F477-P549 HydrophobicContact CB-CG 4.24Å; F477-P549 HydrophobicContact CD1-CB 4.46Å; F477-P549 HydrophobicContact CD1-CG 3.88Å; F477-P549 HydrophobicContact CD2-CB 4.32Å; F477-P549 HydrophobicContact CE1-CG 4.33Å; F477-P549 HydrophobicContact CG-CB 4.03Å; F477-P549 HydrophobicContact CG-CG 3.96Å; F477-Y553 HydrophobicContact CB-CE2 4.11Å; F477-Y553 VanDerWaalsContact CB-OH 3.31Å; F477-Y553 WeakPolarHBondContact CB-OH 3.4Å; F477-Y553 PolarHBondContact N-OH 3.16Å
478	D	86.1	Confident	84.5	Confident	2 Å²	2	21 Å²	21	1%	0.011	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130	-179.4	-171.3	19.3	0	0	0	111.1	Y476 L480 H482 I483 V485	Y476-D478 HydrophobicContact CE2-CB 4.31Å; D478-L480 VanDerWaalsContact C-N 3.3Å; D478-L480 PolarHBondContact O-N 3.33Å; D478-L480 PolarHBondContact OD1-N 3.42Å; D478-H482 WeakPolarHBondContact O-CA 3.31Å; D478-H482 PolarHBondContact O-N 3.09Å; D478-I483 PolarHBondContact N-O 2.98Å; D478-V485 HydrophobicContact CB-CB 4.49Å; D478-V485 HydrophobicContact CB-CG1 3.86Å; D478-V485 HydrophobicContact CB-CG2 3.78Å
479	Q	81.9	Confident	85.5	Confident	48 Å²	48	19.7 Å²	19.7	22%	0.224	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-26.3	-179.6	-64.1	-65.4	1.6	0	0	112.1	W248 F249 Y260	W248-Q479 HydrophobicContact CH2-CB 4.27Å; W248-Q479 HydrophobicContact CZ2-CB 4.14Å; F249-Q479 WeakPolarHBondContact CD2-O 3.29Å; Y260-Q479 HydrophobicContact CD2-CB 4.44Å; Y260-Q479 HydrophobicContact CD2-CG 3.8Å; Y260-Q479 HydrophobicContact CE2-CG 4.04Å
480	L	81.1	Confident	86.1	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-34	-179.5	-75.3	172.6	0	0	0	113.6	W230 M240 F242 W248 F249 D478	W230-L480 HydrophobicContact CD2-CB 4.49Å; W230-L480 HydrophobicContact CE3-CD1 4.43Å; M240-L480 HydrophobicContact CE-CD1 3.84Å; F242-L480 HydrophobicContact CB-CD1 3.98Å; F242-L480 HydrophobicContact CD1-CD1 4.34Å; F242-L480 HydrophobicContact CD1-CD2 3.95Å; F242-L480 HydrophobicContact CD2-CD1 3.99Å; F242-L480 HydrophobicContact CD2-CD2 3.72Å; F242-L480 HydrophobicContact CE1-CD2 3.72Å; F242-L480 HydrophobicContact CE2-CD2 3.47Å; F242-L480 VanDerWaalsContact CE2-CD2 3.47Å; F242-L480 HydrophobicContact CG-CD1 3.85Å; F242-L480 HydrophobicContact CG-CD2 3.95Å; F242-L480 HydrophobicContact CZ-CD2 3.46Å; F242-L480 VanDerWaalsContact CZ-CD2 3.46Å; W248-L480 HydrophobicContact CE3-CD2 3.6Å; W248-L480 HydrophobicContact CH2-CD2 4.41Å; W248-L480 HydrophobicContact CZ3-CD2 3.36Å; W248-L480 HydrophobicContact CZ3-CG 3.92Å; F249-L480 VanDerWaalsContact CE2-O 3.27Å; F249-L480 WeakPolarHBondContact CE2-O 3.15Å; D478-L480 VanDerWaalsContact C-N 3.3Å; D478-L480 PolarHBondContact O-N 3.33Å; D478-L480 PolarHBondContact OD1-N 3.42Å
481	G	73.6	Confident	86.4	Confident	7 Å²	7	13.9 Å²	13.9	7%	0.072	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	0.2	-174.3	0	0	0	0	0	115	I483	G481-I483 PolarHBondContact O-N 3.32Å
482	H	77.8	Confident	86.4	Confident	78 Å²	78	12.6 Å²	12.6	36%	0.361	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	43.3	-170.1	-76.4	-75.8	0	0	0	113.2	F249 F477 D478	F249-H482 WeakPolarHBondContact CB-NE2 3.24Å; F249-H482 AromaticContact CD1-CD2 3.37Å; F249-H482 WeakPolarHBondContact CD1-CD2 3.09Å; F249-H482 AromaticContact CD1-NE2 3.2Å; F249-H482 WeakPolarHBondContact CD1-NE2 3.49Å; F249-H482 AromaticContact CD2-CD2 3.48Å; F249-H482 VanDerWaalsContact CD2-CD2 3.48Å; F249-H482 WeakPolarHBondContact CD2-CD2 3.19Å; F249-H482 AromaticContact CD2-NE2 3.71Å; F249-H482 AromaticContact CE1-CD2 3.71Å; F249-H482 AromaticContact CE2-CD2 3.81Å; F249-H482 AromaticContact CG-CD2 3.25Å; F249-H482 WeakPolarHBondContact CG-CD2 3.44Å; F249-H482 AromaticContact CG-NE2 3.02Å; F249-H482 WeakPolarHBondContact CG-NE2 3.32Å; F249-H482 AromaticContact CZ-CD2 3.92Å; F477-H482 HydrophobicContact CE1-CB 4.4Å; F477-H482 AromaticContact CE1-ND1 3.61Å; F477-H482 VanDerWaalsContact CE2-O 3.32Å; F477-H482 WeakPolarHBondContact CE2-O 3.33Å; F477-H482 VanDerWaalsContact CZ-CA 3.42Å; F477-H482 HydrophobicContact CZ-CB 3.8Å; F477-H482 AromaticContact CZ-ND1 3.64Å; D478-H482 WeakPolarHBondContact O-CA 3.31Å; D478-H482 PolarHBondContact O-N 3.09Å
483	I	82.2	Confident	86	Confident	21 Å²	21	12.8 Å²	12.8	11%	0.108	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.9	-173.2	-171.6	158.3	0	0	0	110.9	L179 D478 G481 V485 L507 T509	L179-I483 HydrophobicContact CD1-CD1 3.34Å; D478-I483 PolarHBondContact N-O 2.98Å; G481-I483 PolarHBondContact O-N 3.32Å; I483-V485 HydrophobicContact CG2-CG1 4.07Å; I483-L507 HydrophobicContact CD1-CD1 4.43Å; I483-L507 HydrophobicContact CD1-CD2 4.41Å; I483-L507 HydrophobicContact CG2-CD2 3.64Å; I483-T509 HydrophobicContact CD1-CG2 4.16Å
484	L	87	Confident	85.5	Confident	18 Å²	18	12.6 Å²	12.6	9%	0.094	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.9	171.3	-67.6	179	0	0	0	111.7	Y476 F477 I508 S543 Y553	Y476-L484 CarbonylContact O-C 3.52Å; Y476-L484 WeakPolarHBondContact O-CA 3.45Å; F477-L484 HydrophobicContact CB-CD2 4.18Å; F477-L484 HydrophobicContact CD2-CD2 4.32Å; L484-I508 HydrophobicContact CB-CB 4.02Å; L484-I508 HydrophobicContact CB-CG1 3.6Å; L484-I508 WeakPolarHBondContact O-CG1 3.09Å; L484-I508 PolarHBondContact O-N 3.45Å; L484-S543 WeakPolarHBondContact CD1-OG 3.22Å; L484-Y553 HydrophobicContact CD2-CD2 3.72Å; L484-Y553 HydrophobicContact CD2-CE2 3.4Å; L484-Y553 VanDerWaalsContact CD2-CE2 3.4Å
485	V	89.9	Confident	84.9	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.1	176.5	-50.9	0	0	0	0	111.5	A475 Y476 D478 I483 A506 L507	A475-V485 WeakPolarHBondContact CA-O 3.47Å; Y476-V485 HydrophobicContact CD1-CG2 4.23Å; Y476-V485 HydrophobicContact CD2-CG2 4.3Å; Y476-V485 HydrophobicContact CE1-CG2 3.68Å; Y476-V485 HydrophobicContact CE2-CG2 3.73Å; Y476-V485 PolarHBondContact N-O 3Å; Y476-V485 PolarHBondContact O-N 3.13Å; D478-V485 HydrophobicContact CB-CB 4.49Å; D478-V485 HydrophobicContact CB-CG1 3.86Å; D478-V485 HydrophobicContact CB-CG2 3.78Å; I483-V485 HydrophobicContact CG2-CG1 4.07Å; V485-A506 CarbonylContact C-O 3.45Å; V485-A506 VanDerWaalsContact CA-O 3.27Å; V485-A506 WeakPolarHBondContact CA-O 3.48Å; V485-L507 HydrophobicContact CG1-CD2 3.64Å
486	A	90.4	Very high	84.1	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.4	161	0	0	0	0	0	108.4	A506 I508 M652	A486-A506 PolarHBondContact N-O 3.28Å; A486-A506 PolarHBondContact O-N 3.04Å; A486-I508 HydrophobicContact CB-CD1 4.07Å; A486-M652 HydrophobicContact CB-CE 4.01Å
487	T	91.2	Very high	83.7	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.1	-171.4	-69.5	0	0	0	0	111	Y232 W267 W472 T473 Y476 S505	Y232-T487 HydrophobicContact CE2-CG2 4.05Å; Y232-T487 WeakPolarHBondContact OH-CB 3.37Å; Y232-T487 WeakPolarHBondContact OH-CG2 3.37Å; Y232-T487 PolarHBondContact OH-OG1 2.74Å; W267-T487 HydrophobicContact CB-CG2 3.87Å; W267-T487 HydrophobicContact CG-CG2 4.15Å; W472-T487 WeakPolarHBondContact CA-O 3.26Å; T473-T487 PolarHBondContact N-O 3.35Å; T473-T487 PolarHBondContact OG1-N 2.98Å; Y476-T487 PolarHBondContact OH-OG1 3.02Å; T487-S505 PolarHBondContact OG1-OG 3.05Å
488	V	91.6	Very high	83.6	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.7	162.8	61.5	0	0	0	0	109.4	R95 R96 A99 P470 V471 W472 F490 G503 A504	R95-V488 HydrophobicContact CB-CG1 4.27Å; R96-V488 HydrophobicContact CG-CG2 4.39Å; A99-V488 HydrophobicContact CB-CG1 3.96Å; P470-V488 HydrophobicContact CB-CG2 3.58Å; V471-V488 CarbonylContact O-C 3.55Å; V471-V488 WeakPolarHBondContact O-CA 3.23Å; W472-V488 HydrophobicContact CD2-CB 3.81Å; W472-V488 HydrophobicContact CD2-CG2 4.21Å; W472-V488 HydrophobicContact CE3-CB 3.84Å; W472-V488 HydrophobicContact CH2-CB 3.62Å; W472-V488 HydrophobicContact CH2-CG1 3.88Å; W472-V488 HydrophobicContact CH2-CG2 4.47Å; W472-V488 HydrophobicContact CZ2-CB 3.6Å; W472-V488 HydrophobicContact CZ2-CG1 4.11Å; W472-V488 HydrophobicContact CZ2-CG2 3.96Å; W472-V488 HydrophobicContact CZ3-CB 3.74Å; W472-V488 HydrophobicContact CZ3-CG1 4.25Å; V488-F490 HydrophobicContact CG2-CE2 4.24Å; V488-G503 CarbonylContact O-C 3.56Å; V488-G503 WeakPolarHBondContact O-CA 3.44Å; V488-A504 HydrophobicContact CG1-CB 4.04Å; V488-A504 WeakPolarHBondContact CG1-O 3.42Å; V488-A504 PolarHBondContact N-O 3.01Å; V488-A504 PolarHBondContact O-N 3.02Å
489	A	91.7	Very high	83.6	Confident	1 Å²	1	23 Å²	23	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	145.1	-175.7	0	0	0	0	0	112.1	W267 A271 P470 V471 V501 V502	W267-A489 HydrophobicContact CB-CB 4.29Å; W267-A489 HydrophobicContact CE3-CB 4.22Å; W267-A489 WeakPolarHBondContact O-CB 3.42Å; A271-A489 HydrophobicContact CB-CB 3.78Å; P470-A489 WeakPolarHBondContact CA-O 3.44Å; V471-A489 PolarHBondContact N-O 2.93Å; V471-A489 PolarHBondContact O-N 2.92Å; A489-V501 HydrophobicContact CB-CG1 3.84Å; A489-V502 CarbonylContact C-O 3.41Å; A489-V502 VanDerWaalsContact CA-O 3.25Å; A489-V502 WeakPolarHBondContact CA-O 3.43Å
490	F	90.1	Very high	84	Confident	6 Å²	6	20.7 Å²	20.7	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.1	172.8	-69.9	-91.8	0	0	0	111.2	R96 A99 E100 L103 P470 V488 V501 V502	R96-F490 HydrophobicContact CG-CE2 4.31Å; R96-F490 HydrophobicContact CG-CZ 4.09Å; A99-F490 HydrophobicContact CB-CD2 3.73Å; A99-F490 HydrophobicContact CB-CE2 3.83Å; E100-F490 HydrophobicContact CB-CE2 4.19Å; E100-F490 HydrophobicContact CB-CZ 4.17Å; L103-F490 HydrophobicContact CB-CB 4.42Å; L103-F490 HydrophobicContact CD1-CB 4.26Å; L103-F490 HydrophobicContact CD2-CB 3.92Å; L103-F490 HydrophobicContact CD2-CD1 3.87Å; L103-F490 HydrophobicContact CD2-CG 4Å; L103-F490 HydrophobicContact CG-CB 4.42Å; P470-F490 HydrophobicContact CB-CD1 4.17Å; P470-F490 HydrophobicContact CB-CD2 4.37Å; P470-F490 HydrophobicContact CB-CE1 3.61Å; P470-F490 HydrophobicContact CB-CE2 3.84Å; P470-F490 HydrophobicContact CB-CZ 3.45Å; P470-F490 VanDerWaalsContact CB-CZ 3.45Å; P470-F490 HydrophobicContact CG-CE1 3.93Å; P470-F490 HydrophobicContact CG-CZ 3.79Å; V488-F490 HydrophobicContact CG2-CE2 4.24Å; F490-V501 WeakPolarHBondContact O-CA 3.46Å; F490-V501 WeakPolarHBondContact O-CG1 3.11Å; F490-V502 HydrophobicContact CB-CG2 3.79Å; F490-V502 PolarHBondContact N-O 2.93Å; F490-V502 PolarHBondContact O-N 3.32Å
491	P	89.7	Confident	84.6	Confident	4 Å²	4	20.7 Å²	20.7	3%	0.026	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	131.4	171.9	28.9	-30.5	0	0	0	110.5	L103 V462 T468 F498	L103-P491 VanDerWaalsContact CD1-O 3.24Å; L103-P491 WeakPolarHBondContact CD1-O 3.39Å; V462-P491 HydrophobicContact CG1-CB 4.37Å; V462-P491 HydrophobicContact CG1-CG 3.76Å; T468-P491 HydrophobicContact CG2-CG 3.81Å; P491-F498 HydrophobicContact CB-CD2 4.35Å; P491-F498 HydrophobicContact CB-CE2 4.01Å
492	V	87.5	Confident	85.5	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	114.1	174.6	-176	0	0	0	0	109	L103 F233 R499 G500 V502	L103-V492 HydrophobicContact CD1-CB 4.38Å; L103-V492 HydrophobicContact CD1-CG2 4.01Å; F233-V492 HydrophobicContact CD2-CG2 4.19Å; F233-V492 HydrophobicContact CE2-CB 4.33Å; F233-V492 HydrophobicContact CE2-CG2 3.93Å; V492-R499 HydrophobicContact CB-CB 4.48Å; V492-R499 HydrophobicContact CG1-CB 4.24Å; V492-R499 PolarHBondContact O-N 2.93Å; V492-G500 PolarHBondContact N-O 3.45Å; V492-V502 HydrophobicContact CG2-CB 4.37Å; V492-V502 HydrophobicContact CG2-CG1 3.5Å; V492-V502 VanDerWaalsContact CG2-CG1 3.5Å; V492-V502 HydrophobicContact CG2-CG2 4.28Å
493	I	80.5	Confident	86.2	Confident	23 Å²	23	16.7 Å²	16.7	12%	0.118	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.3	177.3	-64.5	145.9	0	0	0	109	V462 A463 T468 S497	V462-I493 HydrophobicContact CG1-CD1 4.04Å; V462-I493 WeakPolarHBondContact O-CD1 3.41Å; A463-I493 HydrophobicContact CB-CD1 4.42Å; A463-I493 HydrophobicContact CB-CG1 4.09Å; A463-I493 HydrophobicContact CB-CG2 3.82Å; T468-I493 HydrophobicContact CG2-CD1 3.67Å; I493-S497 WeakPolarHBondContact CA-O 3.19Å
494	A	76.4	Confident	86.6	Confident	1 Å²	1	15.7 Å²	15.7	1%	0.008	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.3	174.3	0	0	0	0	0	109.8	A110 K111 E496 S497 R499	A110-A494 HydrophobicContact CB-CB 3.39Å; K111-A494 HydrophobicContact CG-CB 4.49Å; A494-E496 VanDerWaalsContact C-N 3.34Å; A494-E496 PolarHBondContact O-N 2.74Å; A494-S497 PolarHBondContact N-O 3.48Å; A494-S497 WeakPolarHBondContact O-CB 3.38Å; A494-S497 PolarHBondContact O-N 2.91Å; A494-S497 VanDerWaalsContact O-O 3.09Å; A494-S497 PolarHBondContact O-OG 3.13Å; A494-R499 HydrophobicContact CB-CG 4.03Å
495	N	73.1	Confident	86.7	Confident	64 Å²	64	14.9 Å²	14.9	34%	0.342	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	50.7	-178.7	-50.5	-42.7	0	0	0	112.8	F114 S497	F114-N495 WeakPolarHBondContact CB-ND2 3.33Å; F114-N495 HydrophobicContact CD1-CB 4.29Å; F114-N495 WeakPolarHBondContact CD1-ND2 3.4Å; F114-N495 HydrophobicContact CE1-CB 4.3Å; F114-N495 HydrophobicContact CG-CB 4.47Å; F114-N495 WeakPolarHBondContact CG-ND2 3.39Å; N495-S497 PolarHBondContact O-N 2.82Å
496	E	70.7	Confident	86.6	Confident	119 Å²	119	14.9 Å²	14.9	56%	0.556	7%	0.074	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	9.7	-178.8	-53.2	-179.2	176.8	0	0	114.2	A463 A494	A463-E496 WeakPolarHBondContact CB-O 3.35Å; A494-E496 VanDerWaalsContact C-N 3.34Å; A494-E496 PolarHBondContact O-N 2.74Å
497	S	78.6	Confident	86.5	Confident	35 Å²	35	15.1 Å²	15.1	25%	0.245	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	132.8	176	73.8	0	0	0	0	110.6	I493 A494 N495 R499	I493-S497 WeakPolarHBondContact CA-O 3.19Å; A494-S497 PolarHBondContact N-O 3.48Å; A494-S497 WeakPolarHBondContact O-CB 3.38Å; A494-S497 PolarHBondContact O-N 2.91Å; A494-S497 VanDerWaalsContact O-O 3.09Å; A494-S497 PolarHBondContact O-OG 3.13Å; N495-S497 PolarHBondContact O-N 2.82Å; S497-R499 PolarHBondContact OG-NE 3.31Å; S497-R499 PolarHBondContact OG-NH2 3.27Å
498	F	84.2	Confident	86.3	Confident	9 Å²	9	15.5 Å²	15.5	4%	0.039	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.8	168.5	177.1	-100.1	0	0	0	109.6	Q236 Y268 A272 S459 P491 G500 V501	Q236-F498 HydrophobicContact CB-CD1 4.22Å; Q236-F498 HydrophobicContact CB-CE1 4.13Å; Q236-F498 PolarHBondContact NE2-O 3.09Å; Q236-F498 PolarHBondContact OE1-O 3.13Å; Y268-F498 HydrophobicContact CE2-CZ 4.33Å; Y268-F498 WeakPolarHBondContact OH-CE1 3.5Å; A272-F498 HydrophobicContact CB-CE2 4.08Å; A272-F498 HydrophobicContact CB-CZ 3.85Å; S459-F498 WeakPolarHBondContact OG-CB 3.3Å; P491-F498 HydrophobicContact CB-CD2 4.35Å; P491-F498 HydrophobicContact CB-CE2 4.01Å; F498-G500 WeakPolarHBondContact CE2-O 3.48Å; F498-G500 WeakPolarHBondContact CZ-O 3.48Å; F498-V501 HydrophobicContact CE2-CG2 4.03Å; F498-V501 HydrophobicContact CZ-CG2 3.79Å
499	R	87.1	Confident	85.9	Confident	49 Å²	49	17.8 Å²	17.8	19%	0.185	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-22	-178.6	-67	-67.7	173.1	163.7	-3.4	113.5	E206 Q236 V492 A494 S497	E206-R499 IonicContact OE1-NH1 3.11Å; E206-R499 PolarHBondContact OE1-NH1 2.87Å; Q236-R499 PolarHBondContact N-O 3.5Å; V492-R499 HydrophobicContact CB-CB 4.48Å; V492-R499 HydrophobicContact CG1-CB 4.24Å; V492-R499 PolarHBondContact O-N 2.93Å; A494-R499 HydrophobicContact CB-CG 4.03Å; S497-R499 PolarHBondContact OG-NE 3.31Å; S497-R499 PolarHBondContact OG-NH2 3.27Å
500	G	90.4	Very high	85.5	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154	-164.8	-175.9	0	0	0	0	0	111.5	C234 V492 F498	C234-G500 CarbonylContact O-C 3.47Å; C234-G500 WeakPolarHBondContact O-CA 3.44Å; V492-G500 PolarHBondContact N-O 3.45Å; F498-G500 WeakPolarHBondContact CE2-O 3.48Å; F498-G500 WeakPolarHBondContact CZ-O 3.48Å
501	V	92.8	Very high	85.3	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.3	-179.6	-176.9	0	0	0	0	109.2	C234 W267 Y268 A271 A272 A489 F490 F498	C234-V501 PolarHBondContact N-O 2.81Å; C234-V501 PolarHBondContact O-N 2.91Å; W267-V501 HydrophobicContact CE3-CB 4.23Å; W267-V501 HydrophobicContact CE3-CG1 3.68Å; W267-V501 HydrophobicContact CZ3-CB 3.72Å; W267-V501 HydrophobicContact CZ3-CG1 3.58Å; Y268-V501 HydrophobicContact CD2-CB 3.75Å; Y268-V501 HydrophobicContact CD2-CG2 3.53Å; Y268-V501 HydrophobicContact CE2-CB 4.22Å; Y268-V501 HydrophobicContact CE2-CG2 3.77Å; Y268-V501 HydrophobicContact CG-CB 4.48Å; Y268-V501 HydrophobicContact CG-CG2 4.03Å; A271-V501 HydrophobicContact CB-CG1 3.69Å; A271-V501 HydrophobicContact CB-CG2 4.29Å; A272-V501 HydrophobicContact CB-CG2 4.44Å; A489-V501 HydrophobicContact CB-CG1 3.84Å; F490-V501 WeakPolarHBondContact O-CA 3.46Å; F490-V501 WeakPolarHBondContact O-CG1 3.11Å; F498-V501 HydrophobicContact CE2-CG2 4.03Å; F498-V501 HydrophobicContact CZ-CG2 3.79Å
502	V	93.2	Very high	85.1	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.8	169.6	-65.1	0	0	0	0	109.5	I102 L103 Y232 F233 A489 F490 V492	I102-V502 HydrophobicContact CB-CB 4.42Å; I102-V502 HydrophobicContact CB-CG1 4.37Å; I102-V502 HydrophobicContact CG2-CB 3.96Å; I102-V502 HydrophobicContact CG2-CG1 3.52Å; L103-V502 HydrophobicContact CB-CG2 3.85Å; L103-V502 HydrophobicContact CD1-CG2 4.49Å; Y232-V502 CarbonylContact O-C 3.41Å; Y232-V502 WeakPolarHBondContact O-CA 3.46Å; F233-V502 HydrophobicContact CB-CG1 4.33Å; F233-V502 HydrophobicContact CD2-CG1 3.7Å; F233-V502 HydrophobicContact CG-CG1 4.5Å; A489-V502 CarbonylContact C-O 3.41Å; A489-V502 VanDerWaalsContact CA-O 3.25Å; A489-V502 WeakPolarHBondContact CA-O 3.43Å; F490-V502 HydrophobicContact CB-CG2 3.79Å; F490-V502 PolarHBondContact N-O 2.93Å; F490-V502 PolarHBondContact O-N 3.32Å; V492-V502 HydrophobicContact CG2-CB 4.37Å; V492-V502 HydrophobicContact CG2-CG1 3.5Å; V492-V502 VanDerWaalsContact CG2-CG1 3.5Å; V492-V502 HydrophobicContact CG2-CG2 4.28Å
503	G	91.3	Very high	84.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	153.5	177.3	0	0	0	0	0	113.4	Y232 V488	Y232-G503 PolarHBondContact N-O 2.76Å; Y232-G503 PolarHBondContact O-N 3.08Å; V488-G503 CarbonylContact O-C 3.56Å; V488-G503 WeakPolarHBondContact O-CA 3.44Å
504	A	90.4	Very high	85.2	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.4	168.1	0	0	0	0	0	109.3	R95 L98 A99 W230 V488	R95-A504 HydrophobicContact CB-CB 4.46Å; L98-A504 HydrophobicContact CB-CB 4.4Å; L98-A504 HydrophobicContact CD2-CB 4.06Å; L98-A504 HydrophobicContact CG-CB 4.34Å; A99-A504 HydrophobicContact CB-CB 3.97Å; W230-A504 WeakPolarHBondContact O-CA 3.26Å; V488-A504 HydrophobicContact CG1-CB 4.04Å; V488-A504 WeakPolarHBondContact CG1-O 3.42Å; V488-A504 PolarHBondContact N-O 3.01Å; V488-A504 PolarHBondContact O-N 3.02Å
505	S	90.4	Very high	85.7	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	145.4	-179	-58.9	0	0	0	0	112.2	W230 Y232 T487	W230-S505 PolarHBondContact O-N 3.27Å; Y232-S505 WeakPolarHBondContact CE1-OG 3.49Å; Y232-S505 PolarHBondContact OH-OG 2.81Å; Y232-S505 VanDerWaalsContact OH-OG 3.05Å; T487-S505 PolarHBondContact OG1-OG 3.05Å
506	A	88.2	Confident	86.3	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.3	165.4	0	0	0	0	0	108.4	F91 L92 V485 A486 I508 L511	F91-A506 HydrophobicContact CE1-CB 3.82Å; F91-A506 HydrophobicContact CZ-CB 4.34Å; L92-A506 HydrophobicContact CD2-CB 4.32Å; V485-A506 CarbonylContact C-O 3.45Å; V485-A506 VanDerWaalsContact CA-O 3.27Å; V485-A506 WeakPolarHBondContact CA-O 3.48Å; A486-A506 PolarHBondContact N-O 3.28Å; A486-A506 PolarHBondContact O-N 3.04Å; A506-I508 PolarHBondContact O-N 3.11Å; A506-L511 HydrophobicContact CB-CD2 4.46Å
507	L	87.3	Confident	86.9	Confident	6 Å²	6	15 Å²	15	3%	0.031	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.5	173.7	-57.6	-176	0	0	0	109.7	A228 I483 V485 T509 E510 L511	A228-L507 HydrophobicContact CB-CD1 3.66Å; A228-L507 HydrophobicContact CB-CG 4.33Å; I483-L507 HydrophobicContact CD1-CD1 4.43Å; I483-L507 HydrophobicContact CD1-CD2 4.41Å; I483-L507 HydrophobicContact CG2-CD2 3.64Å; V485-L507 HydrophobicContact CG1-CD2 3.64Å; L507-T509 PolarHBondContact O-N 3.13Å; L507-E510 HydrophobicContact CB-CB 4.34Å; L507-E510 HydrophobicContact CB-CG 4.01Å; L507-E510 HydrophobicContact CD1-CG 4.42Å; L507-E510 WeakPolarHBondContact O-CB 3.41Å; L507-E510 PolarHBondContact O-N 3.33Å; L507-L511 PolarHBondContact O-N 3.29Å; L507-L511 VanDerWaalsContact O-N 3.16Å
508	I	87.9	Confident	87.2	Confident	8 Å²	8	13.8 Å²	13.8	4%	0.041	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-32.5	177.1	-60.8	-52.8	0	0	0	110.9	A475 L484 A486 A506 E510 L511 Q512 V536 H537	A475-I508 HydrophobicContact CB-CD1 4Å; A475-I508 HydrophobicContact CB-CG1 4.26Å; L484-I508 HydrophobicContact CB-CB 4.02Å; L484-I508 HydrophobicContact CB-CG1 3.6Å; L484-I508 WeakPolarHBondContact O-CG1 3.09Å; L484-I508 PolarHBondContact O-N 3.45Å; A486-I508 HydrophobicContact CB-CD1 4.07Å; A506-I508 PolarHBondContact O-N 3.11Å; I508-E510 VanDerWaalsContact C-N 3.28Å; I508-E510 PolarHBondContact O-N 2.78Å; I508-L511 HydrophobicContact CD1-CD1 3.71Å; I508-L511 WeakPolarHBondContact O-CB 3.23Å; I508-L511 PolarHBondContact O-N 2.86Å; I508-L511 VanDerWaalsContact O-N 3.16Å; I508-Q512 WeakPolarHBondContact O-CG 3.49Å; I508-Q512 PolarHBondContact O-N 2.97Å; I508-V536 HydrophobicContact CD1-CG1 3.73Å; I508-H537 HydrophobicContact CG2-CB 4.21Å
509	T	81.7	Confident	87.1	Confident	47 Å²	47	13.9 Å²	13.9	29%	0.288	7%	0.07	S	C	.	.	H	α-helix	trans	-62.6	-31.2	174.2	50.6	0	0	0	0	113.2	I483 L507 Q512 Q513	I483-T509 HydrophobicContact CD1-CG2 4.16Å; L507-T509 PolarHBondContact O-N 3.13Å; T509-Q512 WeakPolarHBondContact O-CB 3.44Å; T509-Q513 WeakPolarHBondContact O-CG 3.21Å; T509-Q513 PolarHBondContact O-N 2.72Å; T509-Q513 PolarHBondContact O-NE2 3.37Å
510	E	83.2	Confident	87	Confident	15 Å²	15	11.6 Å²	11.6	7%	0.07	6%	0.061	C	C	.	.	H	α-helix	trans	-77.1	-35.6	173.7	-68.1	-176.4	158.9	0	0	111.7	F91 R95 A227 A228 L507 I508 Q512 Q513 M514	F91-E510 HydrophobicContact CE1-CB 4.44Å; F91-E510 HydrophobicContact CE2-CB 3.93Å; F91-E510 WeakPolarHBondContact CE2-OE2 3.43Å; F91-E510 HydrophobicContact CZ-CB 3.52Å; F91-E510 HydrophobicContact CZ-CG 4.43Å; F91-E510 WeakPolarHBondContact CZ-OE2 3.41Å; R95-E510 IonicContact CZ-OE2 2.64Å; R95-E510 IonicContact NH2-OE2 3.25Å; R95-E510 PolarHBondContact NH2-OE2 2.86Å; A227-E510 VanDerWaalsContact C-OE1 3.27Å; A227-E510 WeakPolarHBondContact CA-OE1 3.38Å; A227-E510 VanDerWaalsContact CB-OE1 3.25Å; A227-E510 WeakPolarHBondContact CB-OE1 3.46Å; A228-E510 PolarHBondContact N-OE1 3.35Å; L507-E510 HydrophobicContact CB-CB 4.34Å; L507-E510 HydrophobicContact CB-CG 4.01Å; L507-E510 HydrophobicContact CD1-CG 4.42Å; L507-E510 WeakPolarHBondContact O-CB 3.41Å; L507-E510 PolarHBondContact O-N 3.33Å; I508-E510 VanDerWaalsContact C-N 3.28Å; I508-E510 PolarHBondContact O-N 2.78Å; E510-Q512 VanDerWaalsContact C-N 3.29Å; E510-Q512 PolarHBondContact O-N 2.96Å; E510-Q513 WeakPolarHBondContact O-CB 3.49Å; E510-Q513 PolarHBondContact O-N 2.99Å; E510-Q513 VanDerWaalsContact O-N 3.09Å; E510-M514 WeakPolarHBondContact O-CG 3.19Å; E510-M514 PolarHBondContact O-N 3.3Å
511	L	86.8	Confident	86.1	Confident	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-60.7	-40.8	173.4	-64	177.4	0	0	0	111.5	L88 F91 L92 A506 L507 I508 Q513 M514 A515 I528 V536	L88-L511 HydrophobicContact CD2-CB 4.46Å; L88-L511 HydrophobicContact CD2-CD2 3.87Å; F91-L511 HydrophobicContact CD1-CD2 3.73Å; F91-L511 HydrophobicContact CE1-CD2 3.5Å; F91-L511 HydrophobicContact CE1-CG 4.32Å; L92-L511 HydrophobicContact CD2-CD2 3.69Å; L92-L511 HydrophobicContact CG-CD2 4.26Å; A506-L511 HydrophobicContact CB-CD2 4.46Å; L507-L511 PolarHBondContact O-N 3.29Å; L507-L511 VanDerWaalsContact O-N 3.16Å; I508-L511 HydrophobicContact CD1-CD1 3.71Å; I508-L511 WeakPolarHBondContact O-CB 3.23Å; I508-L511 PolarHBondContact O-N 2.86Å; I508-L511 VanDerWaalsContact O-N 3.16Å; L511-Q513 PolarHBondContact O-N 3.01Å; L511-M514 PolarHBondContact O-N 3.05Å; L511-M514 VanDerWaalsContact O-N 3.1Å; L511-A515 PolarHBondContact O-N 3.15Å; L511-I528 HydrophobicContact CB-CD1 4.33Å; L511-V536 HydrophobicContact CD1-CG1 4.29Å
512	Q	86	Confident	85.2	Confident	73 Å²	73	12 Å²	12	34%	0.341	7%	0.065	S	C	.	.	H	α-helix	trans	-55.8	-38	173.1	-72.7	174	-28.9	0	0	112.2	I508 T509 E510 M514 A515 P516 H537	I508-Q512 WeakPolarHBondContact O-CG 3.49Å; I508-Q512 PolarHBondContact O-N 2.97Å; T509-Q512 WeakPolarHBondContact O-CB 3.44Å; E510-Q512 VanDerWaalsContact C-N 3.29Å; E510-Q512 PolarHBondContact O-N 2.96Å; Q512-M514 VanDerWaalsContact C-N 3.32Å; Q512-M514 PolarHBondContact O-N 2.95Å; Q512-A515 CarbonylContact O-C 3.53Å; Q512-A515 PolarHBondContact O-N 2.87Å; Q512-P516 VanDerWaalsContact O-CA 3.31Å; Q512-P516 WeakPolarHBondContact O-CA 2.9Å; Q512-H537 WeakPolarHBondContact CG-CD2 3.34Å; Q512-H537 VanDerWaalsContact CG-NE2 3.35Å; Q512-H537 WeakPolarHBondContact CG-NE2 3.21Å; Q512-H537 PolarHBondContact NE2-CD2 3.41Å; Q512-H537 PolarHBondContact NE2-NE2 3Å
513	Q	82.3	Confident	84.5	Confident	27 Å²	27	13.9 Å²	13.9	13%	0.126	8%	0.075	C	C	.	.	H	α-helix	trans	-73.6	-22.9	179.9	-64.8	170.3	25.5	0	0	113.5	T509 E510 L511 P516 D695 H697	T509-Q513 WeakPolarHBondContact O-CG 3.21Å; T509-Q513 PolarHBondContact O-N 2.72Å; T509-Q513 PolarHBondContact O-NE2 3.37Å; E510-Q513 WeakPolarHBondContact O-CB 3.49Å; E510-Q513 PolarHBondContact O-N 2.99Å; E510-Q513 VanDerWaalsContact O-N 3.09Å; L511-Q513 PolarHBondContact O-N 3.01Å; Q513-P516 WeakPolarHBondContact O-CD 3.38Å; Q513-D695 PolarHBondContact NE2-O 3.39Å; Q513-H697 PolarHBondContact NE2-CD2 2.86Å; Q513-H697 PolarHBondContact NE2-NE2 2.82Å; Q513-H697 PolarHBondContact OE1-CD2 2.77Å
514	M	86.2	Confident	84.4	Confident	13 Å²	13	14.1 Å²	14.1	6%	0.064	8%	0.077	C	C	.	.	H	α-helix	trans	-77.3	-25.8	174.1	-57.3	-57	131.6	0	0	112	R87 L88 F91 E510 L511 Q512 P516	R87-M514 HydrophobicContact CB-CB 4.3Å; R87-M514 HydrophobicContact CB-SD 4.43Å; L88-M514 HydrophobicContact CD2-CB 3.5Å; L88-M514 VanDerWaalsContact CD2-CB 3.5Å; L88-M514 HydrophobicContact CD2-CG 4.1Å; L88-M514 HydrophobicContact CG-CB 3.68Å; F91-M514 HydrophobicContact CB-CG 3.91Å; F91-M514 HydrophobicContact CB-SD 3.92Å; F91-M514 HydrophobicContact CD1-CG 4.28Å; F91-M514 HydrophobicContact CD2-CE 3.68Å; F91-M514 HydrophobicContact CD2-CG 4.21Å; F91-M514 HydrophobicContact CD2-SD 4.02Å; F91-M514 HydrophobicContact CE2-CE 4.02Å; F91-M514 HydrophobicContact CG-CE 4.31Å; F91-M514 HydrophobicContact CG-CG 3.89Å; F91-M514 HydrophobicContact CG-SD 4.11Å; E510-M514 WeakPolarHBondContact O-CG 3.19Å; E510-M514 PolarHBondContact O-N 3.3Å; L511-M514 PolarHBondContact O-N 3.05Å; L511-M514 VanDerWaalsContact O-N 3.1Å; Q512-M514 VanDerWaalsContact C-N 3.32Å; Q512-M514 PolarHBondContact O-N 2.95Å; M514-P516 VanDerWaalsContact C-CD 3.43Å
515	A	87.7	Confident	84.3	Confident	3 Å²	3	14.7 Å²	14.7	3%	0.025	8%	0.08	C	C	.	.	S	Bend	trans	-123.9	62.6	174.1	0	0	0	0	0	111.8	M84 L88 L511 Q512 S526 L654	M84-A515 HydrophobicContact CB-CB 4.26Å; M84-A515 HydrophobicContact CG-CB 4.3Å; M84-A515 HydrophobicContact SD-CB 3.92Å; L88-A515 HydrophobicContact CD1-CB 4.24Å; L511-A515 PolarHBondContact O-N 3.15Å; Q512-A515 CarbonylContact O-C 3.53Å; Q512-A515 PolarHBondContact O-N 2.87Å; A515-S526 PolarHBondContact O-OG 2.96Å; A515-L654 HydrophobicContact CB-CD1 3.86Å
516	P	86.2	Confident	84.5	Confident	7 Å²	7	14.8 Å²	14.8	5%	0.045	8%	0.08	C	C	.	.			trans	-79.9	144.1	-166.1	31.8	-35.2	0	0	0	113.6	M84 Q512 Q513 M514 Y518 M519	M84-P516 WeakPolarHBondContact CE-O 3.44Å; Q512-P516 VanDerWaalsContact O-CA 3.31Å; Q512-P516 WeakPolarHBondContact O-CA 2.9Å; Q513-P516 WeakPolarHBondContact O-CD 3.38Å; M514-P516 VanDerWaalsContact C-CD 3.43Å; P516-Y518 VanDerWaalsContact C-N 3.27Å; P516-Y518 HydrophobicContact CB-CD1 3.6Å; P516-Y518 HydrophobicContact CB-CD2 4.49Å; P516-Y518 HydrophobicContact CB-CE1 3.22Å; P516-Y518 HydrophobicContact CB-CE2 4.17Å; P516-Y518 HydrophobicContact CB-CG 4.22Å; P516-Y518 HydrophobicContact CG-CD1 4.26Å; P516-Y518 HydrophobicContact CG-CD2 4.35Å; P516-Y518 HydrophobicContact CG-CE1 3.66Å; P516-Y518 HydrophobicContact CG-CE2 3.74Å; P516-Y518 WeakPolarHBondContact CG-OH 3.47Å; P516-Y518 PolarHBondContact O-N 3Å; P516-M519 HydrophobicContact CG-CG 4Å; P516-M519 HydrophobicContact CG-SD 4.03Å; P516-M519 PolarHBondContact O-N 3.14Å
517	S	83.9	Confident	84.7	Confident	22 Å²	22	14.8 Å²	14.8	15%	0.154	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-61.4	-31	179.2	-49	0	0	0	0	113.5	M519 L520	S517-M519 PolarHBondContact O-N 3.46Å; S517-L520 WeakPolarHBondContact O-CB 2.76Å; S517-L520 PolarHBondContact O-N 2.89Å
518	Y	83	Confident	85	Confident	8 Å²	8	14.6 Å²	14.6	3%	0.031	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-66.2	-19.4	-177.2	61.8	-109.2	0	0	0	114.5	P516 W696 Y738 L739 H777	P516-Y518 VanDerWaalsContact C-N 3.27Å; P516-Y518 HydrophobicContact CB-CD1 3.6Å; P516-Y518 HydrophobicContact CB-CD2 4.49Å; P516-Y518 HydrophobicContact CB-CE1 3.22Å; P516-Y518 HydrophobicContact CB-CE2 4.17Å; P516-Y518 HydrophobicContact CB-CG 4.22Å; P516-Y518 HydrophobicContact CG-CD1 4.26Å; P516-Y518 HydrophobicContact CG-CD2 4.35Å; P516-Y518 HydrophobicContact CG-CE1 3.66Å; P516-Y518 HydrophobicContact CG-CE2 3.74Å; P516-Y518 WeakPolarHBondContact CG-OH 3.47Å; P516-Y518 PolarHBondContact O-N 3Å; Y518-W696 AromaticContact CD1-CD2 3.85Å; Y518-W696 HydrophobicContact CD1-CD2 3.85Å; Y518-W696 AromaticContact CD1-CE3 3.63Å; Y518-W696 HydrophobicContact CD1-CE3 3.63Å; Y518-W696 HydrophobicContact CD1-CH2 4.04Å; Y518-W696 HydrophobicContact CD1-CZ2 4.21Å; Y518-W696 AromaticContact CD1-CZ3 3.72Å; Y518-W696 HydrophobicContact CD1-CZ3 3.72Å; Y518-W696 HydrophobicContact CE1-CD2 4.39Å; Y518-W696 HydrophobicContact CE1-CE3 4.35Å; Y518-W696 HydrophobicContact CG-CE3 4.37Å; Y518-W696 HydrophobicContact CG-CH2 4.3Å; Y518-W696 HydrophobicContact CG-CZ3 4.04Å; Y518-Y738 AromaticContact CD2-CD1 3.88Å; Y518-Y738 HydrophobicContact CD2-CD1 3.88Å; Y518-Y738 HydrophobicContact CD2-CE1 4.27Å; Y518-Y738 HydrophobicContact CE2-CD1 4.22Å; Y518-Y738 VanDerWaalsContact O-CE1 3.25Å; Y518-Y738 WeakPolarHBondContact O-CE1 3.29Å; Y518-L739 HydrophobicContact CD1-CD1 3.97Å; Y518-L739 HydrophobicContact CD1-CD2 4.28Å; Y518-L739 HydrophobicContact CD2-CB 4.12Å; Y518-L739 HydrophobicContact CD2-CD1 4.15Å; Y518-L739 HydrophobicContact CE1-CB 4.36Å; Y518-L739 HydrophobicContact CE1-CD1 4.25Å; Y518-L739 HydrophobicContact CE1-CD2 3.78Å; Y518-L739 HydrophobicContact CE1-CG 4.35Å; Y518-L739 HydrophobicContact CE2-CB 3.7Å; Y518-L739 HydrophobicContact CE2-CD1 4.45Å; Y518-L739 HydrophobicContact CE2-CG 4.47Å; Y518-L739 HydrophobicContact CG-CD1 3.93Å; Y518-H777 PolarHBondContact O-CE1 2.63Å; Y518-H777 VanDerWaalsContact O-CE1 3.32Å
519	M	82.9	Confident	85.2	Confident	12 Å²	12	14.2 Å²	14.2	6%	0.059	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-78.1	-13.8	175.3	-73.1	-172.6	68.2	0	0	112.4	I83 M84 P516 S517 R665 Y738	I83-M519 HydrophobicContact CG2-CE 4.24Å; M84-M519 HydrophobicContact CE-CB 3.94Å; P516-M519 HydrophobicContact CG-CG 4Å; P516-M519 HydrophobicContact CG-SD 4.03Å; P516-M519 PolarHBondContact O-N 3.14Å; S517-M519 PolarHBondContact O-N 3.46Å; M519-R665 PolarHBondContact O-NH1 3.33Å; M519-Y738 HydrophobicContact CG-CD1 4.23Å
520	L	84.4	Confident	85.6	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	-95.6	166	-177.4	-48.8	177	0	0	0	110.1	V80 M84 S517 A524 L656 H777	V80-L520 HydrophobicContact CG1-CD2 3.68Å; M84-L520 HydrophobicContact CE-CD1 4.4Å; M84-L520 HydrophobicContact CE-CD2 3.57Å; M84-L520 HydrophobicContact CE-CG 3.95Å; S517-L520 WeakPolarHBondContact O-CB 2.76Å; S517-L520 PolarHBondContact O-N 2.89Å; L520-A524 HydrophobicContact CB-CB 3.8Å; L520-A524 HydrophobicContact CD1-CB 4.41Å; L520-L656 HydrophobicContact CD1-CD1 3.3Å; L520-L656 HydrophobicContact CD2-CD1 3.38Å; L520-L656 HydrophobicContact CD2-CD2 4.16Å; L520-L656 HydrophobicContact CD2-CG 4.43Å; L520-L656 HydrophobicContact CG-CD1 3.92Å; L520-H777 PolarHBondContact O-CE1 2.91Å; L520-H777 VanDerWaalsContact O-CE1 3.23Å; L520-H777 PolarHBondContact O-NE2 2.99Å
521	G	73.3	Confident	85.7	Confident	3 Å²	3	12.3 Å²	12.3	3%	0.031	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-67.7	170.4	167.1	0	0	0	0	0	112.1	F75 A524	F75-G521 VanDerWaalsContact CE1-N 3.33Å; G521-A524 WeakPolarHBondContact O-CB 3.38Å; G521-A524 PolarHBondContact O-N 2.72Å
522	A	72.5	Confident	85.6	Confident	5 Å²	5	12.5 Å²	12.5	4%	0.041	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	145.2	173.9	0	0	0	0	0	111.9	A524 A662 L837 P891	A522-A524 PolarHBondContact O-N 2.78Å; A522-A662 WeakPolarHBondContact O-CB 3.01Å; A522-L837 HydrophobicContact CB-CD1 3.66Å; A522-L837 HydrophobicContact CB-CD2 4.11Å; A522-L837 HydrophobicContact CB-CG 4.45Å; A522-P891 HydrophobicContact CB-CB 4.07Å; A522-P891 HydrophobicContact CB-CG 3.25Å
523	N	79.3	Confident	85.6	Confident	40 Å²	40	9 Å²	9	21%	0.214	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	-7	-177.1	-56.2	-25.5	0	0	0	115.7	Y525 Q638 P659 Q838	N523-Y525 WeakPolarHBondContact O-CD1 3.3Å; N523-Q638 PolarHBondContact O-NE2 3.22Å; N523-P659 HydrophobicContact CB-CG 3.9Å; N523-Q838 PolarHBondContact ND2-NE2 3.37Å; N523-Q838 VanDerWaalsContact ND2-NE2 3.17Å
524	A	88.3	Confident	85.9	Confident	6 Å²	6	8.9 Å²	8.9	5%	0.05	5%	0.049	C	C	.	.			trans	-77.1	144.8	168.3	0	0	0	0	0	110	L520 G521 A522 A657	L520-A524 HydrophobicContact CB-CB 3.8Å; L520-A524 HydrophobicContact CD1-CB 4.41Å; G521-A524 WeakPolarHBondContact O-CB 3.38Å; G521-A524 PolarHBondContact O-N 2.72Å; A522-A524 PolarHBondContact O-N 2.78Å; A524-A657 VanDerWaalsContact CA-O 3.29Å; A524-A657 WeakPolarHBondContact CA-O 3.22Å
525	Y	89.5	Confident	86.1	Confident	12 Å²	12	8.5 Å²	8.5	5%	0.047	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151	-178.9	57.8	-88.1	0	0	0	112.3	N523 F527 H538 P539 E562 M624 N640 A657	N523-Y525 WeakPolarHBondContact O-CD1 3.3Å; Y525-F527 HydrophobicContact CD2-CD1 4.03Å; Y525-F527 AromaticContact CE2-CD1 3.88Å; Y525-F527 HydrophobicContact CE2-CD1 3.88Å; Y525-F527 HydrophobicContact CE2-CE1 4.25Å; Y525-H538 AromaticContact CE2-CD2 3.93Å; Y525-H538 AromaticContact CE2-NE2 3.32Å; Y525-H538 VanDerWaalsContact CE2-NE2 3.32Å; Y525-H538 WeakPolarHBondContact CE2-NE2 3.48Å; Y525-P539 HydrophobicContact CD2-CG 3.83Å; Y525-P539 HydrophobicContact CG-CG 3.82Å; Y525-E562 WeakPolarHBondContact CE2-OE1 3.48Å; Y525-E562 PolarHBondContact OH-OE1 2.72Å; Y525-M624 HydrophobicContact CD1-CE 4.31Å; Y525-M624 HydrophobicContact CE1-CE 3.61Å; Y525-M624 HydrophobicContact CE1-SD 4.37Å; Y525-N640 PolarHBondContact OH-ND2 3.44Å; Y525-N640 VanDerWaalsContact OH-ND2 3.07Å; Y525-A657 HydrophobicContact CD1-CB 4.24Å; Y525-A657 HydrophobicContact CD2-CB 4.11Å; Y525-A657 HydrophobicContact CE1-CB 3.75Å; Y525-A657 HydrophobicContact CE2-CB 3.6Å; Y525-A657 HydrophobicContact CG-CB 4.4Å; Y525-A657 PolarHBondContact N-O 2.62Å; Y525-A657 VanDerWaalsContact N-O 3.09Å; Y525-A657 PolarHBondContact O-N 2.78Å
526	S	92.9	Very high	86.2	Confident	2 Å²	2	8.4 Å²	8.4	1%	0.014	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	150.8	172.3	63.2	0	0	0	0	110.4	A515 A655	A515-S526 PolarHBondContact O-OG 2.96Å; S526-A655 WeakPolarHBondContact CA-O 3.4Å
527	F	93.5	Very high	86.4	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	159.3	173.8	64.5	-86.1	0	0	0	110.9	Y525 V529 H537 H538 I558 L605 Y642 A655 A657	Y525-F527 HydrophobicContact CD2-CD1 4.03Å; Y525-F527 AromaticContact CE2-CD1 3.88Å; Y525-F527 HydrophobicContact CE2-CD1 3.88Å; Y525-F527 HydrophobicContact CE2-CE1 4.25Å; F527-V529 HydrophobicContact CD2-CG2 3.68Å; F527-V529 HydrophobicContact CE2-CG2 3.77Å; F527-H537 CarbonylContact C-O 3.49Å; F527-H537 VanDerWaalsContact CA-O 3.24Å; F527-H537 WeakPolarHBondContact CA-O 3.33Å; F527-H537 WeakPolarHBondContact CB-O 3.3Å; F527-H538 HydrophobicContact CB-CB 4.14Å; F527-H538 AromaticContact CG-CD2 3.81Å; F527-I558 HydrophobicContact CD2-CD1 4.06Å; F527-I558 HydrophobicContact CE2-CD1 3.81Å; F527-I558 HydrophobicContact CE2-CG1 4.17Å; F527-I558 HydrophobicContact CZ-CD1 4.38Å; F527-L605 HydrophobicContact CE2-CD1 3.89Å; F527-L605 HydrophobicContact CZ-CD1 4.21Å; F527-Y642 HydrophobicContact CE1-CD1 4.02Å; F527-Y642 AromaticContact CE1-CE1 3.97Å; F527-Y642 HydrophobicContact CE1-CE1 3.97Å; F527-Y642 AromaticContact CZ-CD1 3.97Å; F527-Y642 HydrophobicContact CZ-CD1 3.97Å; F527-Y642 AromaticContact CZ-CE1 3.98Å; F527-Y642 HydrophobicContact CZ-CE1 3.98Å; F527-A655 HydrophobicContact CD1-CB 4.05Å; F527-A655 HydrophobicContact CD2-CB 4.04Å; F527-A655 HydrophobicContact CE1-CB 3.6Å; F527-A655 HydrophobicContact CE2-CB 3.58Å; F527-A655 HydrophobicContact CG-CB 4.26Å; F527-A655 HydrophobicContact CZ-CB 3.35Å; F527-A655 PolarHBondContact N-O 3.48Å; F527-A655 PolarHBondContact O-N 3Å; F527-A657 HydrophobicContact CE1-CB 4.25Å
528	I	94	Very high	86.6	Confident	3 Å²	3	8 Å²	8	2%	0.015	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	132.8	-177.4	-56.4	174.7	0	0	0	108.4	L88 L511 V536 H537 M652 T653 L654	L88-I528 HydrophobicContact CD1-CD1 4.16Å; L88-I528 HydrophobicContact CD2-CD1 4.25Å; L511-I528 HydrophobicContact CB-CD1 4.33Å; I528-V536 HydrophobicContact CB-CB 4.12Å; I528-V536 HydrophobicContact CG2-CB 3.95Å; I528-V536 HydrophobicContact CG2-CG1 4.32Å; I528-V536 HydrophobicContact CG2-CG2 4.29Å; I528-V536 PolarHBondContact O-N 2.87Å; I528-H537 HydrophobicContact CB-CB 4.43Å; I528-H537 PolarHBondContact N-O 3.48Å; I528-H537 PolarHBondContact O-N 3Å; I528-M652 HydrophobicContact CG2-CB 4.02Å; I528-M652 HydrophobicContact CG2-CG 4.47Å; I528-M652 HydrophobicContact CG2-SD 4.26Å; I528-T653 WeakPolarHBondContact CA-O 3.39Å; I528-L654 HydrophobicContact CG1-CD1 4.12Å
529	V	92.5	Very high	86.6	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.3	-179.8	-173.4	0	0	0	0	109.3	F527 G533 Y534 L605 M652 T653	F527-V529 HydrophobicContact CD2-CG2 3.68Å; F527-V529 HydrophobicContact CE2-CG2 3.77Å; V529-G533 VanDerWaalsContact CG1-CA 3.43Å; V529-Y534 CarbonylContact C-O 3.49Å; V529-Y534 VanDerWaalsContact CA-O 3.31Å; V529-Y534 WeakPolarHBondContact CA-O 3.19Å; V529-Y534 WeakPolarHBondContact CG1-O 3.28Å; V529-L605 HydrophobicContact CG2-CD1 4.4Å; V529-M652 CarbonylContact O-C 3.48Å; V529-M652 WeakPolarHBondContact O-CA 3.24Å; V529-T653 PolarHBondContact N-O 2.98Å; V529-T653 PolarHBondContact O-N 2.93Å
530	D	89.1	Confident	86.3	Confident	12 Å²	12	10.9 Å²	10.9	6%	0.064	6%	0.06	C	C	.	.			trans	-84.5	-174.1	173.7	78.4	-2.3	0	0	0	112.7	N532 G533 Y534 V536 L651	D530-N532 VanDerWaalsContact C-N 3.26Å; D530-N532 PolarHBondContact O-N 3.5Å; D530-N532 WeakPolarHBondContact OD1-CA 3.37Å; D530-N532 WeakPolarHBondContact OD1-CB 3.14Å; D530-N532 PolarHBondContact OD1-N 3.42Å; D530-G533 PolarHBondContact O-N 3.06Å; D530-G533 PolarHBondContact OD1-N 3.25Å; D530-Y534 PolarHBondContact N-O 3.13Å; D530-Y534 WeakPolarHBondContact OD1-CA 3.45Å; D530-Y534 PolarHBondContact OD1-N 3.28Å; D530-V536 HydrophobicContact CB-CG2 4.28Å; D530-L651 CarbonylContact C-O 3.59Å
531	N	86.1	Confident	86.1	Confident	9 Å²	9	12.3 Å²	12.3	5%	0.048	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.9	177.9	59.2	-60.4	0	0	0	114.7	L651 R1125	N531-L651 HydrophobicContact CB-CB 4Å; N531-L651 HydrophobicContact CB-CD1 4.39Å; N531-L651 PolarHBondContact N-O 3.23Å; N531-R1125 HydrophobicContact CB-CB 4.18Å; N531-R1125 WeakPolarHBondContact CB-O 3.49Å; N531-R1125 PolarHBondContact ND2-O 3.39Å; N531-R1125 PolarHBondContact O-N 3.04Å
532	N	84.3	Confident	86.1	Confident	6 Å²	6	14.7 Å²	14.7	3%	0.032	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-11.1	176.5	-67	-52.1	0	0	0	112.1	N310 D530 Y534 R602 R1124	N310-N532 PolarHBondContact OD1-ND2 3.4Å; D530-N532 VanDerWaalsContact C-N 3.26Å; D530-N532 PolarHBondContact O-N 3.5Å; D530-N532 WeakPolarHBondContact OD1-CA 3.37Å; D530-N532 WeakPolarHBondContact OD1-CB 3.14Å; D530-N532 PolarHBondContact OD1-N 3.42Å; N532-Y534 HydrophobicContact CB-CD2 3.58Å; N532-Y534 HydrophobicContact CB-CE2 3.61Å; N532-Y534 HydrophobicContact CB-CG 4.16Å; N532-R602 PolarHBondContact O-NH2 3.39Å; N532-R1124 WeakPolarHBondContact OD1-CD 3.28Å
533	G	86.6	Confident	86.1	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	89.1	7.7	-171.6	0	0	0	0	0	113.2	V529 D530 I558	V529-G533 VanDerWaalsContact CG1-CA 3.43Å; D530-G533 PolarHBondContact O-N 3.06Å; D530-G533 PolarHBondContact OD1-N 3.25Å; G533-I558 PolarHBondContact O-N 2.89Å
534	Y	88.2	Confident	85.7	Confident	24 Å²	24	16.3 Å²	16.3	9%	0.094	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-81.7	143.7	175.5	-55.7	-38.5	0	0	0	111.3	E309 V529 D530 N532 V536 S555 M556 D557	E309-Y534 HydrophobicContact CB-CE2 4.08Å; E309-Y534 HydrophobicContact CG-CE2 4.04Å; E309-Y534 PolarHBondContact OE2-OH 3.05Å; V529-Y534 CarbonylContact C-O 3.49Å; V529-Y534 VanDerWaalsContact CA-O 3.31Å; V529-Y534 WeakPolarHBondContact CA-O 3.19Å; V529-Y534 WeakPolarHBondContact CG1-O 3.28Å; D530-Y534 PolarHBondContact N-O 3.13Å; D530-Y534 WeakPolarHBondContact OD1-CA 3.45Å; D530-Y534 PolarHBondContact OD1-N 3.28Å; N532-Y534 HydrophobicContact CB-CD2 3.58Å; N532-Y534 HydrophobicContact CB-CE2 3.61Å; N532-Y534 HydrophobicContact CB-CG 4.16Å; Y534-V536 PolarHBondContact O-N 2.85Å; Y534-S555 WeakPolarHBondContact CD1-O 3.32Å; Y534-S555 WeakPolarHBondContact CE1-O 3.43Å; Y534-M556 WeakPolarHBondContact CA-O 3.48Å; Y534-D557 HydrophobicContact CD1-CB 4.33Å
535	V	90.1	Very high	84.5	Confident	4 Å²	4	17.4 Å²	17.4	2%	0.024	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.6	-172.3	176.6	0	0	0	0	109.6	H537 H538 L541 M556 I558 L561	V535-H537 VanDerWaalsContact CG1-C 3.49Å; V535-H538 HydrophobicContact CG1-CB 3.33Å; V535-L541 HydrophobicContact CG1-CB 4.46Å; V535-L541 HydrophobicContact CG1-CD2 4.12Å; V535-M556 PolarHBondContact N-O 2.91Å; V535-I558 HydrophobicContact CG2-CB 3.99Å; V535-I558 HydrophobicContact CG2-CD1 4.16Å; V535-L561 HydrophobicContact CB-CD1 4.14Å; V535-L561 HydrophobicContact CG1-CD1 4.01Å; V535-L561 HydrophobicContact CG2-CD1 3.89Å
536	V	90.2	Very high	83.2	Confident	2 Å²	2	23.8 Å²	23.8	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-40.8	171.8	176	0	0	0	0	110.1	A475 I508 L511 I528 D530 Y534 M652	A475-V536 HydrophobicContact CB-CG1 4.22Å; I508-V536 HydrophobicContact CD1-CG1 3.73Å; L511-V536 HydrophobicContact CD1-CG1 4.29Å; I528-V536 HydrophobicContact CB-CB 4.12Å; I528-V536 HydrophobicContact CG2-CB 3.95Å; I528-V536 HydrophobicContact CG2-CG1 4.32Å; I528-V536 HydrophobicContact CG2-CG2 4.29Å; I528-V536 PolarHBondContact O-N 2.87Å; D530-V536 HydrophobicContact CB-CG2 4.28Å; Y534-V536 PolarHBondContact O-N 2.85Å; V536-M652 HydrophobicContact CG2-CE 4.26Å; V536-M652 HydrophobicContact CG2-SD 4.41Å
537	H	89.2	Confident	81.9	Confident	16 Å²	16	26.1 Å²	26.1	7%	0.074	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	132.3	177.1	168.6	-102.5	0	0	0	110.6	I508 Q512 F527 I528 V535	I508-H537 HydrophobicContact CG2-CB 4.21Å; Q512-H537 WeakPolarHBondContact CG-CD2 3.34Å; Q512-H537 VanDerWaalsContact CG-NE2 3.35Å; Q512-H537 WeakPolarHBondContact CG-NE2 3.21Å; Q512-H537 PolarHBondContact NE2-CD2 3.41Å; Q512-H537 PolarHBondContact NE2-NE2 3Å; F527-H537 CarbonylContact C-O 3.49Å; F527-H537 VanDerWaalsContact CA-O 3.24Å; F527-H537 WeakPolarHBondContact CA-O 3.33Å; F527-H537 WeakPolarHBondContact CB-O 3.3Å; I528-H537 HydrophobicContact CB-CB 4.43Å; I528-H537 PolarHBondContact N-O 3.48Å; I528-H537 PolarHBondContact O-N 3Å; V535-H537 VanDerWaalsContact CG1-C 3.49Å
538	H	89.1	Confident	80.6	Confident	5 Å²	5	33.6 Å²	33.6	2%	0.023	18%	0.177	C	C	.	.			trans	-156.8	147.7	170.1	-176.5	-94.7	0	0	0	110.4	Y525 F527 V535 Q540 L541 L561 E562	Y525-H538 AromaticContact CE2-CD2 3.93Å; Y525-H538 AromaticContact CE2-NE2 3.32Å; Y525-H538 VanDerWaalsContact CE2-NE2 3.32Å; Y525-H538 WeakPolarHBondContact CE2-NE2 3.48Å; F527-H538 HydrophobicContact CB-CB 4.14Å; F527-H538 AromaticContact CG-CD2 3.81Å; V535-H538 HydrophobicContact CG1-CB 3.33Å; H538-Q540 PolarHBondContact CE1-OE1 3.26Å; H538-Q540 WeakPolarHBondContact ND1-CB 3.41Å; H538-Q540 PolarHBondContact ND1-N 3.5Å; H538-Q540 PolarHBondContact O-N 3.37Å; H538-Q540 VanDerWaalsContact O-N 3.17Å; H538-L541 HydrophobicContact CB-CB 4.14Å; H538-L541 WeakPolarHBondContact O-CB 3.25Å; H538-L541 PolarHBondContact O-N 3.3Å; H538-L561 HydrophobicContact CB-CD1 3.98Å; H538-E562 IonicContact NE2-OE1 2.76Å; H538-E562 PolarHBondContact NE2-OE1 3.01Å
539	P	82.4	Confident	79.5	Confident	56 Å²	56	35.9 Å²	35.9	36%	0.364	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29	-179.2	-24.2	32.2	0	0	0	115	Y525	Y525-P539 HydrophobicContact CD2-CG 3.83Å; Y525-P539 HydrophobicContact CG-CG 3.82Å
540	Q	77.2	Confident	78.4	Confident	24 Å²	24	36.2 Å²	36.2	11%	0.112	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.7	177	-57.6	-179.1	-52.5	0	0	113.7	H538 R542 L561 M624	H538-Q540 PolarHBondContact CE1-OE1 3.26Å; H538-Q540 WeakPolarHBondContact ND1-CB 3.41Å; H538-Q540 PolarHBondContact ND1-N 3.5Å; H538-Q540 PolarHBondContact O-N 3.37Å; H538-Q540 VanDerWaalsContact O-N 3.17Å; Q540-R542 PolarHBondContact O-N 2.74Å; Q540-R542 VanDerWaalsContact O-N 3.13Å; Q540-L561 PolarHBondContact OE1-O 3.09Å; Q540-M624 HydrophobicContact CG-CE 3.89Å
541	L	79	Confident	77.3	Confident	29 Å²	29	38 Å²	38	15%	0.152	21%	0.206	C	C	.	.			trans	-71	109.9	177.1	-178.9	66.3	0	0	0	109.1	V535 H538 M556 L561	V535-L541 HydrophobicContact CG1-CB 4.46Å; V535-L541 HydrophobicContact CG1-CD2 4.12Å; H538-L541 HydrophobicContact CB-CB 4.14Å; H538-L541 WeakPolarHBondContact O-CB 3.25Å; H538-L541 PolarHBondContact O-N 3.3Å; L541-M556 HydrophobicContact CD1-CB 3.84Å; L541-M556 HydrophobicContact CD1-CG 3.97Å; L541-L561 HydrophobicContact CB-CD1 4.13Å; L541-L561 HydrophobicContact CD1-CD1 4.28Å
542	R	74.3	Confident	76.5	Confident	53 Å²	53	39.3 Å²	39.3	20%	0.2	21%	0.211	C	C	.	.			trans	-103.2	89.2	176.3	-62.2	173.7	-174.9	-173.6	-0.8	108.3	Q540 K550 D627 G628 A629 S631	Q540-R542 PolarHBondContact O-N 2.74Å; Q540-R542 VanDerWaalsContact O-N 3.13Å; R542-K550 VanDerWaalsContact O-CD 3.29Å; R542-K550 WeakPolarHBondContact O-CD 3.08Å; R542-D627 PolarHBondContact NH2-O 3.15Å; R542-G628 VanDerWaalsContact CZ-O 3.24Å; R542-G628 PolarHBondContact NH2-O 3.06Å; R542-A629 PolarHBondContact NH1-O 3.11Å; R542-S631 PolarHBondContact NH1-O 3.47Å; R542-S631 PolarHBondContact NH2-O 3Å
543	S	71.9	Confident	76.1	Confident	16 Å²	16	40.8 Å²	40.8	11%	0.112	22%	0.217	C	C	.	.			trans	-85.4	-27.2	-174.7	52.7	0	0	0	0	114.3	L484 K550	L484-S543 WeakPolarHBondContact CD1-OG 3.22Å; S543-K550 PolarHBondContact O-N 3.44Å
544	L	70.6	Confident	75.8	Confident	64 Å²	64	42.4 Å²	42.4	34%	0.335	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.2	-175.8	-54.7	-180	0	0	0	111.3	F477 K548 P549	F477-L544 HydrophobicContact CD2-CD2 3.6Å; F477-L544 HydrophobicContact CE2-CD1 4.37Å; F477-L544 HydrophobicContact CE2-CD2 3.52Å; L544-K548 CarbonylContact C-O 3.43Å; L544-K548 WeakPolarHBondContact CA-O 3.14Å; L544-P549 HydrophobicContact CD2-CB 4.3Å
545	H	63.5	Low	75.3	Confident	29 Å²	29	42.1 Å²	42.1	13%	0.134	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	122.4	168.7	-177.4	61.3	0	0	0	108.9	G547 K548 K550	H545-G547 PolarHBondContact O-N 2.73Å; H545-G547 VanDerWaalsContact O-N 3.16Å; H545-K548 PolarHBondContact N-O 2.81Å; H545-K548 PolarHBondContact O-N 2.67Å; H545-K550 HydrophobicContact CB-CD 4.33Å; H545-K550 HydrophobicContact CB-CG 3.81Å
546	M	63.4	Low	74.8	Confident	146 Å²	146	42.7 Å²	42.7	72%	0.719	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	39.8	-173.8	-54.8	-168.8	-126.5	0	0	112.9	K548	M546-K548 PolarHBondContact O-N 2.76Å
547	G	64.6	Low	74.4	Confident	50 Å²	50	42.6 Å²	42.6	52%	0.515	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-8.6	-178.5	0	0	0	0	0	115.9	H545	H545-G547 PolarHBondContact O-N 2.73Å; H545-G547 VanDerWaalsContact O-N 3.16Å
548	K	66.7	Low	74.1	Confident	158 Å²	158	42.1 Å²	42.1	69%	0.687	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	143.4	177.3	-64.6	-173.7	178	-173	0	111.3	L544 H545 M546 K550	L544-K548 CarbonylContact C-O 3.43Å; L544-K548 WeakPolarHBondContact CA-O 3.14Å; H545-K548 PolarHBondContact N-O 2.81Å; H545-K548 PolarHBondContact O-N 2.67Å; M546-K548 PolarHBondContact O-N 2.76Å; K548-K550 PolarHBondContact O-N 2.93Å
549	P	71.3	Confident	73.5	Confident	50 Å²	50	43.8 Å²	43.8	33%	0.325	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	131.7	175.4	26.6	-33.5	0	0	0	111	F477 L544 Y553	F477-P549 HydrophobicContact CB-CB 4.05Å; F477-P549 HydrophobicContact CB-CG 4.24Å; F477-P549 HydrophobicContact CD1-CB 4.46Å; F477-P549 HydrophobicContact CD1-CG 3.88Å; F477-P549 HydrophobicContact CD2-CB 4.32Å; F477-P549 HydrophobicContact CE1-CG 4.33Å; F477-P549 HydrophobicContact CG-CB 4.03Å; F477-P549 HydrophobicContact CG-CG 3.96Å; L544-P549 HydrophobicContact CD2-CB 4.3Å; P549-Y553 HydrophobicContact CB-CD1 4.01Å; P549-Y553 HydrophobicContact CB-CE1 3.79Å
550	K	69.6	Low	72.9	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.035	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-70.5	140.7	173.4	-74.1	174.6	172.4	-164.2	0	109.6	R542 S543 H545 K548 H552 Y553 D1009 I1010	R542-K550 VanDerWaalsContact O-CD 3.29Å; R542-K550 WeakPolarHBondContact O-CD 3.08Å; S543-K550 PolarHBondContact O-N 3.44Å; H545-K550 HydrophobicContact CB-CD 4.33Å; H545-K550 HydrophobicContact CB-CG 3.81Å; K548-K550 PolarHBondContact O-N 2.93Å; K550-H552 PolarHBondContact O-N 3.01Å; K550-Y553 WeakPolarHBondContact O-CB 3.17Å; K550-Y553 WeakPolarHBondContact O-CD1 3.45Å; K550-Y553 PolarHBondContact O-N 3.3Å; K550-D1009 IonicContact NZ-OD1 2.69Å; K550-D1009 PolarHBondContact NZ-OD1 3.35Å; K550-I1010 HydrophobicContact CB-CB 4.07Å; K550-I1010 HydrophobicContact CB-CG2 3.93Å; K550-I1010 HydrophobicContact CD-CB 4.15Å; K550-I1010 WeakPolarHBondContact CD-O 3.18Å; K550-I1010 WeakPolarHBondContact CE-O 3.21Å; K550-I1010 HydrophobicContact CG-CB 4.37Å; K550-I1010 HydrophobicContact CG-CG2 4.43Å; K550-I1010 WeakPolarHBondContact CG-O 3.25Å; K550-I1010 PolarHBondContact NZ-O 2.62Å
551	P	65.8	Low	72.7	Confident	49 Å²	49	42.1 Å²	42.1	32%	0.318	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	138.9	172.1	-27.7	30.6	0	0	0	112.7	Y553 I1010	P551-Y553 PolarHBondContact O-N 2.83Å; P551-I1010 HydrophobicContact CB-CG2 4.15Å; P551-I1010 HydrophobicContact CG-CG2 4.06Å; P551-I1010 WeakPolarHBondContact O-CD1 3.37Å
552	H	69.5	Low	72.6	Confident	37 Å²	37	41.2 Å²	41.2	17%	0.171	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	10.3	177.4	-48.1	-78.8	0	0	0	117.1	I338 K550 N554 S555 M556	I338-H552 WeakPolarHBondContact CB-ND1 3.27Å; I338-H552 HydrophobicContact CD1-CB 4.5Å; I338-H552 WeakPolarHBondContact CG2-CE1 3.46Å; I338-H552 WeakPolarHBondContact CG2-ND1 3.48Å; K550-H552 PolarHBondContact O-N 3.01Å; H552-N554 PolarHBondContact O-N 3.48Å; H552-N554 VanDerWaalsContact O-N 3.16Å; H552-S555 PolarHBondContact O-N 2.78Å; H552-S555 PolarHBondContact O-OG 2.74Å; H552-M556 HydrophobicContact CB-CE 3.92Å; H552-M556 VanDerWaalsContact O-CE 3.28Å; H552-M556 WeakPolarHBondContact O-CE 3.36Å
553	Y	75.4	Confident	72.4	Confident	36 Å²	36	39.9 Å²	39.9	14%	0.141	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-54.9	-33.3	179.6	71	-75.7	0	0	0	114.2	Y476 F477 L484 P549 K550 P551 S555	Y476-Y553 WeakPolarHBondContact CA-OH 3.49Å; F477-Y553 HydrophobicContact CB-CE2 4.11Å; F477-Y553 VanDerWaalsContact CB-OH 3.31Å; F477-Y553 WeakPolarHBondContact CB-OH 3.4Å; F477-Y553 PolarHBondContact N-OH 3.16Å; L484-Y553 HydrophobicContact CD2-CD2 3.72Å; L484-Y553 HydrophobicContact CD2-CE2 3.4Å; L484-Y553 VanDerWaalsContact CD2-CE2 3.4Å; P549-Y553 HydrophobicContact CB-CD1 4.01Å; P549-Y553 HydrophobicContact CB-CE1 3.79Å; K550-Y553 WeakPolarHBondContact O-CB 3.17Å; K550-Y553 WeakPolarHBondContact O-CD1 3.45Å; K550-Y553 PolarHBondContact O-N 3.3Å; P551-Y553 PolarHBondContact O-N 2.83Å; Y553-S555 VanDerWaalsContact C-N 3.35Å
554	N	79	Confident	72.2	Confident	35 Å²	35	40.7 Å²	40.7	19%	0.187	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-80.4	-12.7	-179.3	62.8	-28.7	0	0	0	113.7	I338 A475 H552	I338-N554 WeakPolarHBondContact CD1-OD1 3.37Å; A475-N554 WeakPolarHBondContact O-CB 3.28Å; H552-N554 PolarHBondContact O-N 3.48Å; H552-N554 VanDerWaalsContact O-N 3.16Å
555	S	78.7	Confident	71.9	Confident	18 Å²	18	38 Å²	38	13%	0.126	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-113.4	23.3	179.7	71	0	0	0	0	112.5	Y534 H552 Y553 D557	Y534-S555 WeakPolarHBondContact CD1-O 3.32Å; Y534-S555 WeakPolarHBondContact CE1-O 3.43Å; H552-S555 PolarHBondContact O-N 2.78Å; H552-S555 PolarHBondContact O-OG 2.74Å; Y553-S555 VanDerWaalsContact C-N 3.35Å; S555-D557 PolarHBondContact O-N 2.85Å
556	M	79.9	Confident	71.5	Confident	15 Å²	15	40.5 Å²	40.5	7%	0.074	22%	0.22	C	C	.	.			trans	-76.1	118	177.1	-71.9	-68.9	105.3	0	0	110	Y534 V535 L541 H552 I1010	Y534-M556 WeakPolarHBondContact CA-O 3.48Å; V535-M556 PolarHBondContact N-O 2.91Å; L541-M556 HydrophobicContact CD1-CB 3.84Å; L541-M556 HydrophobicContact CD1-CG 3.97Å; H552-M556 HydrophobicContact CB-CE 3.92Å; H552-M556 VanDerWaalsContact O-CE 3.28Å; H552-M556 WeakPolarHBondContact O-CE 3.36Å; M556-I1010 HydrophobicContact CE-CD1 3.83Å; M556-I1010 HydrophobicContact SD-CD1 4.16Å
557	D	81.4	Confident	70.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-84.6	148.5	179.9	-167.3	-68.3	0	0	0	111.8	Y534 S555 M559 E560 L561 R602 R1122	Y534-D557 HydrophobicContact CD1-CB 4.33Å; S555-D557 PolarHBondContact O-N 2.85Å; D557-M559 PolarHBondContact O-N 3.27Å; D557-M559 PolarHBondContact OD1-N 3.1Å; D557-E560 HydrophobicContact CB-CG 4.19Å; D557-E560 WeakPolarHBondContact O-CB 3.49Å; D557-E560 PolarHBondContact O-N 3.47Å; D557-L561 PolarHBondContact O-N 2.93Å; D557-R602 IonicContact OD1-NE 2.72Å; D557-R602 PolarHBondContact OD1-NE 2.99Å; D557-R602 IonicContact OD2-CZ 2.65Å; D557-R602 VanDerWaalsContact OD2-CZ 3.25Å; D557-R602 IonicContact OD2-NE 3.99Å; D557-R602 PolarHBondContact OD2-NE 3.4Å; D557-R602 IonicContact OD2-NH2 3.8Å; D557-R602 PolarHBondContact OD2-NH2 3.48Å; D557-R1122 IonicContact OD1-NH1 3.85Å; D557-R1122 VanDerWaalsContact OD2-CD 3.23Å; D557-R1122 WeakPolarHBondContact OD2-CD 3.43Å; D557-R1122 IonicContact OD2-CZ 2.78Å; D557-R1122 IonicContact OD2-NE 3.88Å; D557-R1122 IonicContact OD2-NH1 3.34Å; D557-R1122 PolarHBondContact OD2-NH1 3.21Å
558	I	82.2	Confident	69.5	Low	6 Å²	6	35.8 Å²	35.8	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-55.6	-35.9	178.1	-173.1	58.5	0	0	0	112.8	F527 G533 V535 E560 L561 E562 R602	F527-I558 HydrophobicContact CD2-CD1 4.06Å; F527-I558 HydrophobicContact CE2-CD1 3.81Å; F527-I558 HydrophobicContact CE2-CG1 4.17Å; F527-I558 HydrophobicContact CZ-CD1 4.38Å; G533-I558 PolarHBondContact O-N 2.89Å; V535-I558 HydrophobicContact CG2-CB 3.99Å; V535-I558 HydrophobicContact CG2-CD1 4.16Å; I558-E560 PolarHBondContact O-N 2.99Å; I558-L561 PolarHBondContact O-N 2.89Å; I558-E562 HydrophobicContact CD1-CG 3.99Å; I558-E562 PolarHBondContact O-N 2.86Å; I558-R602 HydrophobicContact CG2-CB 4.25Å; I558-R602 HydrophobicContact CG2-CG 3.79Å
559	M	76.4	Confident	67.8	Low	39 Å²	39	32 Å²	32	19%	0.192	18%	0.177	C	C	.	.	H	α-helix	trans	-70.7	-13.3	178.3	-76.2	-173.2	71.7	0	0	114.3	D557 Y597 N599 R602	D557-M559 PolarHBondContact O-N 3.27Å; D557-M559 PolarHBondContact OD1-N 3.1Å; M559-Y597 WeakPolarHBondContact CE-O 3.47Å; M559-N599 HydrophobicContact CE-CB 4.23Å; M559-N599 HydrophobicContact CG-CB 4.48Å; M559-N599 HydrophobicContact SD-CB 3.92Å; M559-R602 HydrophobicContact CG-CB 4.48Å; M559-R602 HydrophobicContact SD-CB 4.44Å; M559-R602 WeakPolarHBondContact SD-CD 3.43Å
560	E	70.5	Confident	65.9	Low	29 Å²	29	34.1 Å²	34.1	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-91.9	-19.4	175.7	-61.6	179	-171.3	0	0	112.2	D557 I558 R1008 R1122	D557-E560 HydrophobicContact CB-CG 4.19Å; D557-E560 WeakPolarHBondContact O-CB 3.49Å; D557-E560 PolarHBondContact O-N 3.47Å; I558-E560 PolarHBondContact O-N 2.99Å; E560-R1008 IonicContact OE1-CZ 2.76Å; E560-R1008 IonicContact OE1-NH1 3.86Å; E560-R1008 PolarHBondContact OE1-NH1 2.98Å; E560-R1008 WeakPolarHBondContact OE2-CD 3.35Å; E560-R1008 IonicContact OE2-CZ 3.73Å; E560-R1008 IonicContact OE2-NE 2.94Å; E560-R1008 IonicContact OE2-NH1 3.57Å; E560-R1008 PolarHBondContact OE2-NH1 3.06Å; E560-R1122 IonicContact OE1-CZ 2.93Å; E560-R1122 IonicContact OE1-NH1 3.03Å; E560-R1122 PolarHBondContact OE1-NH1 3.38Å; E560-R1122 IonicContact OE1-NH2 3.84Å; E560-R1122 PolarHBondContact OE1-NH2 3.44Å
561	L	73	Confident	63.9	Low	17 Å²	17	38.4 Å²	38.4	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-91.1	-54.2	173.9	-62.3	-178.3	0	0	0	111.2	V535 H538 Q540 L541 D557 I558 V563	V535-L561 HydrophobicContact CB-CD1 4.14Å; V535-L561 HydrophobicContact CG1-CD1 4.01Å; V535-L561 HydrophobicContact CG2-CD1 3.89Å; H538-L561 HydrophobicContact CB-CD1 3.98Å; Q540-L561 PolarHBondContact OE1-O 3.09Å; L541-L561 HydrophobicContact CB-CD1 4.13Å; L541-L561 HydrophobicContact CD1-CD1 4.28Å; D557-L561 PolarHBondContact O-N 2.93Å; I558-L561 PolarHBondContact O-N 2.89Å; L561-V563 PolarHBondContact O-N 3.34Å
562	E	77.7	Confident	62.1	Low	9 Å²	9	41 Å²	41	4%	0.042	23%	0.229	C	C	.	.	S	Bend	trans	-89.3	92.4	-179.6	-68.1	-168.8	168.7	0	0	110.8	Y525 H538 I558 L564 V622 Y642	Y525-E562 WeakPolarHBondContact CE2-OE1 3.48Å; Y525-E562 PolarHBondContact OH-OE1 2.72Å; H538-E562 IonicContact NE2-OE1 2.76Å; H538-E562 PolarHBondContact NE2-OE1 3.01Å; I558-E562 HydrophobicContact CD1-CG 3.99Å; I558-E562 PolarHBondContact O-N 2.86Å; E562-L564 PolarHBondContact O-N 2.91Å; E562-V622 HydrophobicContact CB-CG1 4.2Å; E562-Y642 VanDerWaalsContact CD-OH 3.27Å; E562-Y642 PolarHBondContact OE1-OH 2.92Å; E562-Y642 WeakPolarHBondContact OE2-CE1 3.46Å; E562-Y642 VanDerWaalsContact OE2-CZ 3.28Å; E562-Y642 PolarHBondContact OE2-OH 2.94Å
563	V	69	Low	60.2	Low	26 Å²	26	48.7 Å²	48.7	16%	0.158	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	117.4	177.8	-175	0	0	0	0	109.8	L561 A565 V622 V623 P1005 F1007	L561-V563 PolarHBondContact O-N 3.34Å; V563-A565 PolarHBondContact O-N 3.44Å; V563-V622 WeakPolarHBondContact O-CA 3.38Å; V563-V623 PolarHBondContact O-N 3.5Å; V563-P1005 HydrophobicContact CB-CB 4.21Å; V563-P1005 HydrophobicContact CG1-CB 3.79Å; V563-P1005 HydrophobicContact CG2-CB 4.31Å; V563-F1007 HydrophobicContact CG2-CD1 4.28Å; V563-F1007 HydrophobicContact CG2-CE1 4.05Å
564	L	68.7	Low	57.9	Low	33 Å²	33	54.6 Å²	54.6	17%	0.173	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	123.4	174.4	-68	172.6	0	0	0	110.8	E562 D566 N567 Q620 V622	E562-L564 PolarHBondContact O-N 2.91Å; L564-D566 VanDerWaalsContact C-N 3.27Å; L564-D566 PolarHBondContact O-N 3.18Å; L564-N567 HydrophobicContact CB-CB 4.21Å; L564-N567 WeakPolarHBondContact CD1-ND2 3.42Å; L564-N567 PolarHBondContact O-N 2.81Å; L564-Q620 HydrophobicContact CD2-CB 3.77Å; L564-Q620 HydrophobicContact CD2-CG 4.26Å; L564-V622 HydrophobicContact CD2-CG1 4.32Å
565	A	62.9	Low	55.5	Low	8 Å²	8	60.4 Å²	60.4	7%	0.066	32%	0.32	C	S	.	.	S	Bend	trans	-63.4	-32.5	-178.8	0	0	0	0	0	112.6	V563 N621 V623	V563-A565 PolarHBondContact O-N 3.44Å; A565-N621 HydrophobicContact CB-CB 3.96Å; A565-N621 PolarHBondContact N-O 3.32Å; A565-V623 HydrophobicContact CB-CG2 4.14Å
566	D	55.3	Low	53.4	Low	81 Å²	81	64.7 Å²	64.7	43%	0.433	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-78.1	-26.9	-174.7	-59.9	-31.5	0	0	0	113.1	L564 A568 L569	L564-D566 VanDerWaalsContact C-N 3.27Å; L564-D566 PolarHBondContact O-N 3.18Å; D566-A568 VanDerWaalsContact C-N 3.29Å; D566-A568 PolarHBondContact O-N 3.3Å; D566-L569 PolarHBondContact O-N 2.88Å
567	N	48.7	Very low	50.9	Low	65 Å²	65	68.9 Å²	68.9	35%	0.348	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-76.9	-9.3	-172.7	-78.6	-10.3	0	0	0	114.3	L564 Y597	L564-N567 HydrophobicContact CB-CB 4.21Å; L564-N567 WeakPolarHBondContact CD1-ND2 3.42Å; L564-N567 PolarHBondContact O-N 2.81Å; N567-Y597 HydrophobicContact CB-CE1 4.22Å
568	A	38.6	Very low	48.5	Very low	31 Å²	31	77.9 Å²	77.9	26%	0.256	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-83.7	-16.6	177.4	0	0	0	0	0	114	D566 V570	D566-A568 VanDerWaalsContact C-N 3.29Å; D566-A568 PolarHBondContact O-N 3.3Å; A568-V570 VanDerWaalsContact C-N 3.33Å; A568-V570 PolarHBondContact O-N 2.85Å
569	L	30.8	Very low	46.1	Very low	79 Å²	79	84.4 Å²	84.4	41%	0.414	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-10.8	-178.9	-77.7	166.7	0	0	0	114.1	D566	D566-L569 PolarHBondContact O-N 2.88Å
570	V	29.6	Very low	43.7	Very low	95 Å²	95	88.4 Å²	88.4	58%	0.576	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-28.7	-175.7	-175.3	0	0	0	0	112.5	A568 M572	A568-V570 VanDerWaalsContact C-N 3.33Å; A568-V570 PolarHBondContact O-N 2.85Å; V570-M572 VanDerWaalsContact C-N 3.34Å; V570-M572 PolarHBondContact O-N 3.3Å
571	S	28	Very low	41.8	Very low	97 Å²	97	94 Å²	94	68%	0.678	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.1	-174	178.5	0	0	0	0	115.7
572	M	28.5	Very low	39.5	Very low	104 Å²	104	98.5 Å²	98.5	51%	0.512	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	17	178.6	-89.1	-173.6	-89.9	0	0	113.7	V570 I574	V570-M572 VanDerWaalsContact C-N 3.34Å; V570-M572 PolarHBondContact O-N 3.3Å; M572-I574 PolarHBondContact O-N 3.46Å
573	R	29.4	Very low	37.2	Very low	199 Å²	199	103.6 Å²	103.6	75%	0.751	57%	0.57	S	S	*	*			trans	-79.8	10.2	178	-83.2	-174.2	-179.2	-175	1.1	115.2
574	I	28.5	Very low	35.1	Very low	160 Å²	160	111.3 Å²	111.3	82%	0.821	60%	0.598	S	S	*	*			trans	-133.2	74.5	-179.4	-47.4	177.8	0	0	0	109.6	M572	M572-I574 PolarHBondContact O-N 3.46Å
575	D	27.9	Very low	33.3	Very low	157 Å²	157	118.6 Å²	118.6	84%	0.84	63%	0.628	S	S	*	*			trans	-151.1	86.3	155.6	-111.2	-29.4	0	0	0	107.5
576	V	33.6	Very low	31.4	Very low	107 Å²	107	126.5 Å²	126.5	65%	0.648	66%	0.661	S	S	*	*			trans	-129.3	79.5	170.4	-164	0	0	0	0	107.7	F578	V576-F578 PolarHBondContact O-N 3.04Å
577	S	28.7	Very low	30.2	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	68%	0.679	S	S	*	*			trans	-56.7	126.6	152	53.6	0	0	0	0	107.5
578	F	30.3	Very low	29.2	Very low	191 Å²	191	135.1 Å²	135.1	84%	0.838	71%	0.707	S	S	*	*	S	Bend	trans	78.9	75.1	-171	-64.7	-97.1	0	0	0	115.6	V576	V576-F578 PolarHBondContact O-N 3.04Å
579	I	32.6	Very low	28.6	Very low	143 Å²	143	136.4 Å²	136.4	73%	0.733	72%	0.723	S	S	*	*				-167.9	112.7	126.9	-89	143.8	0	0	0	107.1	L581	I579-L581 HydrophobicContact CG2-CB 4.11Å; I579-L581 PolarHBondContact O-N 3.49Å; I579-L581 VanDerWaalsContact O-N 3.16Å
580	S	25.8	Very low	28.3	Very low	123 Å²	123	138.3 Å²	138.3	86%	0.86	74%	0.738	S	S	*	*			trans	-75.8	93.9	170.2	-158.2	0	0	0	0	107.8
581	L	29.4	Very low	28.2	Very low	146 Å²	146	141.1 Å²	141.1	76%	0.764	76%	0.755	S	S	*	*			trans	-137.5	99.9	163.6	-153	84.3	0	0	0	110.1	I579 V583	I579-L581 HydrophobicContact CG2-CB 4.11Å; I579-L581 PolarHBondContact O-N 3.49Å; I579-L581 VanDerWaalsContact O-N 3.16Å; L581-V583 PolarHBondContact O-N 3.4Å
582	V	26	Very low	28.1	Very low	111 Å²	111	144.3 Å²	144.3	67%	0.673	76%	0.759	S	S	*	*			trans	-32.1	111.4	165.7	-176.9	0	0	0	0	113.2	Y584	V582-Y584 HydrophobicContact CG1-CD2 3.59Å; V582-Y584 HydrophobicContact CG1-CE2 4.06Å
583	V	28.4	Very low	28	Very low	117 Å²	117	144.8 Å²	144.8	71%	0.709	77%	0.768	S	S	*	*			trans	-127.2	95.4	150.1	-179.1	0	0	0	0	106.9	L581 F585	L581-V583 PolarHBondContact O-N 3.4Å; V583-F585 HydrophobicContact CG1-CD2 3.88Å; V583-F585 HydrophobicContact CG1-CE2 4.13Å; V583-F585 PolarHBondContact O-N 2.91Å
584	Y	25.1	Very low	28	Very low	188 Å²	188	138.5 Å²	138.5	74%	0.737	75%	0.754	S	S	*	*			trans	-74.9	112.6	163.7	-86.8	-92.4	0	0	0	107.9	V582	V582-Y584 HydrophobicContact CG1-CD2 3.59Å; V582-Y584 HydrophobicContact CG1-CE2 4.06Å
585	F	30.8	Very low	28.1	Very low	185 Å²	185	136.4 Å²	136.4	81%	0.811	75%	0.748	S	S	*	*			trans	-102.6	93.7	144.9	-90.1	-84.2	0	0	0	107	V583	V583-F585 HydrophobicContact CG1-CD2 3.88Å; V583-F585 HydrophobicContact CG1-CE2 4.13Å; V583-F585 PolarHBondContact O-N 2.91Å
586	K	24.4	Very low	28.4	Very low	175 Å²	175	133.6 Å²	133.6	76%	0.761	73%	0.733	S	S	*	*			trans	-74.8	113	156.1	-104.2	178.9	171.3	177.9	0	105.5
587	D	29.6	Very low	29	Very low	152 Å²	152	134.1 Å²	134.1	81%	0.813	72%	0.724	S	S	*	*			trans	-139.1	118.7	146.4	-91.4	-35.7	0	0	0	108.7	G589	D587-G589 PolarHBondContact O-N 3.01Å
588	N	27.3	Very low	30.2	Very low	175 Å²	175	130.1 Å²	130.1	94%	0.936	69%	0.694	S	S	*	*			trans	-70.6	110.5	168.4	-86.5	-19.3	0	0	0	107.6
589	G	25.5	Very low	32	Very low	57 Å²	57	122.3 Å²	122.3	59%	0.588	66%	0.661	S	S	*	*			trans	163.5	113	169.1	0	0	0	0	0	112.6	D587	D587-G589 PolarHBondContact O-N 3.01Å
590	T	25.3	Very low	34.2	Very low	120 Å²	120	121.2 Å²	121.2	74%	0.736	65%	0.653	S	S	*	*			trans	56.4	122.7	161.6	52.3	0	0	0	0	117.7	E592	T590-E592 PolarHBondContact O-N 3.08Å
591	V	26.9	Very low	36.9	Very low	154 Å²	154	115.6 Å²	115.6	93%	0.933	61%	0.613	S	S	*	*			trans	-59.3	88	165.3	178.9	0	0	0	0	108.2	T593	V591-T593 PolarHBondContact O-N 3.18Å
592	E	26.7	Very low	39.6	Very low	163 Å²	163	108.9 Å²	108.9	76%	0.762	58%	0.578	S	S	*	*			trans	-72	110	175.8	-75.9	-171.7	163	0	0	109.1	T590	T590-E592 PolarHBondContact O-N 3.08Å
593	T	26.2	Very low	42.4	Very low	114 Å²	114	107.3 Å²	107.3	70%	0.699	56%	0.56	S	S	*	*			trans	21.9	127	156.6	54.8	0	0	0	0	118.8	V591 V595	V591-T593 PolarHBondContact O-N 3.18Å; T593-V595 PolarHBondContact O-N 3.09Å
594	P	29.2	Very low	45.2	Very low	68 Å²	68	105.3 Å²	105.3	44%	0.442	54%	0.54	S	S	.	.	S	Bend	trans	-53.5	129.2	172.4	21.3	-25.3	0	0	0	108.5	D596	P594-D596 PolarHBondContact O-N 3.47Å
595	V	30.4	Very low	48.2	Very low	116 Å²	116	96.4 Å²	96.4	70%	0.703	51%	0.505	S	S	*	.			trans	-43.5	106.4	-177.2	-177.5	0	0	0	0	108.5	T593 Y597	T593-V595 PolarHBondContact O-N 3.09Å; V595-Y597 HydrophobicContact CG1-CD2 4.24Å; V595-Y597 HydrophobicContact CG1-CE2 4.18Å; V595-Y597 PolarHBondContact O-N 2.76Å
596	D	35.2	Very low	50.9	Low	98 Å²	98	87.6 Å²	87.6	52%	0.524	47%	0.467	S	S	.	.			trans	-72.2	84.7	-173	-162.1	14	0	0	0	106.9	P594 D598 R603	P594-D596 PolarHBondContact O-N 3.47Å; D596-D598 PolarHBondContact O-N 2.89Å; D596-D598 WeakPolarHBondContact OD1-CB 3.31Å; D596-R603 IonicContact OD1-NH2 3.78Å; D596-R603 IonicContact OD2-CZ 3.85Å; D596-R603 IonicContact OD2-NH2 2.69Å; D596-R603 PolarHBondContact OD2-NH2 2Å
597	Y	45.6	Very low	53.7	Low	118 Å²	118	81 Å²	81	46%	0.463	44%	0.44	S	S	.	.			trans	-67.8	27.5	168.5	-88.4	-80.8	0	0	0	111	M559 N567 V595 N599	M559-Y597 WeakPolarHBondContact CE-O 3.47Å; N567-Y597 HydrophobicContact CB-CE1 4.22Å; V595-Y597 HydrophobicContact CG1-CD2 4.24Å; V595-Y597 HydrophobicContact CG1-CE2 4.18Å; V595-Y597 PolarHBondContact O-N 2.76Å; Y597-N599 VanDerWaalsContact C-N 3.34Å; Y597-N599 PolarHBondContact O-N 3.22Å
598	D	52.9	Low	56.3	Low	18 Å²	18	74.6 Å²	74.6	10%	0.096	41%	0.41	C	S	.	.			trans	-71.8	97.7	174	-117.9	-12.5	0	0	0	108.7	D596 Q600 R602 R603 Y1123	D596-D598 PolarHBondContact O-N 2.89Å; D596-D598 WeakPolarHBondContact OD1-CB 3.31Å; D598-Q600 PolarHBondContact O-N 2.93Å; D598-R602 IonicContact OD1-NH1 3.38Å; D598-R602 PolarHBondContact OD1-NH1 3.13Å; D598-R603 HydrophobicContact CB-CG 4.34Å; D598-R603 VanDerWaalsContact CB-CZ 3.45Å; D598-R603 VanDerWaalsContact CG-NE 3.3Å; D598-R603 IonicContact OD2-CZ 2.64Å; D598-R603 VanDerWaalsContact OD2-CZ 3.23Å; D598-R603 IonicContact OD2-NE 3.02Å; D598-R603 PolarHBondContact OD2-NE 3.03Å; D598-R603 IonicContact OD2-NH2 2.71Å; D598-R603 PolarHBondContact OD2-NH2 2.95Å; D598-Y1123 WeakPolarHBondContact OD2-CB 3.35Å; D598-Y1123 PolarHBondContact OD2-N 3.11Å
599	N	69.9	Low	59	Low	27 Å²	27	69.8 Å²	69.8	14%	0.144	38%	0.383	C	S	.	.			trans	-54.8	124.4	166	-175.8	-9.9	0	0	0	108.4	M559 Y597 L601 R602 R603 Q620	M559-N599 HydrophobicContact CE-CB 4.23Å; M559-N599 HydrophobicContact CG-CB 4.48Å; M559-N599 HydrophobicContact SD-CB 3.92Å; Y597-N599 VanDerWaalsContact C-N 3.34Å; Y597-N599 PolarHBondContact O-N 3.22Å; N599-L601 PolarHBondContact O-N 2.92Å; N599-L601 VanDerWaalsContact O-N 3.15Å; N599-L601 WeakPolarHBondContact OD1-CB 3.38Å; N599-L601 PolarHBondContact OD1-N 3.49Å; N599-L601 VanDerWaalsContact OD1-N 3.14Å; N599-R602 HydrophobicContact CB-CB 4.15Å; N599-R602 WeakPolarHBondContact O-CB 3.42Å; N599-R602 PolarHBondContact O-N 2.89Å; N599-R603 PolarHBondContact O-N 3.14Å; N599-Q620 VanDerWaalsContact CG-NE2 3.34Å; N599-Q620 PolarHBondContact ND2-NE2 3.06Å; N599-Q620 VanDerWaalsContact ND2-NE2 3.13Å; N599-Q620 PolarHBondContact ND2-OE1 2.85Å; N599-Q620 PolarHBondContact OD1-NE2 3.1Å
600	Q	77.9	Confident	61.8	Low	121 Å²	121	69.2 Å²	69.2	57%	0.565	37%	0.37	S	S	*	.	H	α-helix	trans	-55.9	-33.5	179.1	-66.4	-178.6	7.8	0	0	111.8	D598 R602 R603 Y604 M618	D598-Q600 PolarHBondContact O-N 2.93Å; Q600-R602 PolarHBondContact O-N 3.03Å; Q600-R603 PolarHBondContact O-N 2.89Å; Q600-Y604 PolarHBondContact O-N 3.46Å; Q600-M618 HydrophobicContact CB-CE 3.49Å; Q600-M618 VanDerWaalsContact CB-CE 3.49Å; Q600-M618 HydrophobicContact CB-SD 4.18Å
601	L	82.9	Confident	64.5	Low	4 Å²	4	63.5 Å²	63.5	2%	0.021	34%	0.335	C	S	.	.	H	α-helix	trans	-58	-49.5	174.4	177.2	62.6	0	0	0	110.7	N599 R603 Y604 L605 M618 Y642	N599-L601 PolarHBondContact O-N 2.92Å; N599-L601 VanDerWaalsContact O-N 3.15Å; N599-L601 WeakPolarHBondContact OD1-CB 3.38Å; N599-L601 PolarHBondContact OD1-N 3.49Å; N599-L601 VanDerWaalsContact OD1-N 3.14Å; L601-R603 VanDerWaalsContact C-N 3.3Å; L601-R603 PolarHBondContact O-N 3.22Å; L601-Y604 PolarHBondContact O-N 2.93Å; L601-L605 HydrophobicContact CD1-CD1 4.28Å; L601-L605 HydrophobicContact CD1-CG 4.24Å; L601-L605 HydrophobicContact CG-CD1 4.01Å; L601-L605 HydrophobicContact CG-CG 4.38Å; L601-L605 VanDerWaalsContact O-CG 3.27Å; L601-L605 WeakPolarHBondContact O-CG 3.39Å; L601-L605 PolarHBondContact O-N 3.03Å; L601-M618 VanDerWaalsContact CA-SD 3.5Å; L601-M618 HydrophobicContact CB-SD 3.66Å; L601-M618 HydrophobicContact CD1-SD 4.31Å; L601-M618 PolarHBondContact N-SD 2.95Å; L601-M618 VanDerWaalsContact N-SD 3.38Å; L601-Y642 HydrophobicContact CD1-CD1 4.46Å; L601-Y642 HydrophobicContact CD1-CG 4.16Å; L601-Y642 HydrophobicContact CD2-CD1 3.63Å; L601-Y642 HydrophobicContact CD2-CD2 3.81Å; L601-Y642 HydrophobicContact CD2-CE1 3.83Å; L601-Y642 HydrophobicContact CD2-CE2 4.05Å; L601-Y642 HydrophobicContact CD2-CG 3.6Å
602	R	85.8	Confident	66.6	Low	5 Å²	5	62.9 Å²	62.9	2%	0.019	32%	0.32	C	S	.	.	H	α-helix	trans	-58.1	-43.3	179.6	-176.6	-171.1	173.6	-67.9	-11.2	111.4	N532 D557 I558 M559 D598 N599 Q600 L605 A606 R1122 Y1123	N532-R602 PolarHBondContact O-NH2 3.39Å; D557-R602 IonicContact OD1-NE 2.72Å; D557-R602 PolarHBondContact OD1-NE 2.99Å; D557-R602 IonicContact OD2-CZ 2.65Å; D557-R602 VanDerWaalsContact OD2-CZ 3.25Å; D557-R602 IonicContact OD2-NE 3.99Å; D557-R602 PolarHBondContact OD2-NE 3.4Å; D557-R602 IonicContact OD2-NH2 3.8Å; D557-R602 PolarHBondContact OD2-NH2 3.48Å; I558-R602 HydrophobicContact CG2-CB 4.25Å; I558-R602 HydrophobicContact CG2-CG 3.79Å; M559-R602 HydrophobicContact CG-CB 4.48Å; M559-R602 HydrophobicContact SD-CB 4.44Å; M559-R602 WeakPolarHBondContact SD-CD 3.43Å; D598-R602 IonicContact OD1-NH1 3.38Å; D598-R602 PolarHBondContact OD1-NH1 3.13Å; N599-R602 HydrophobicContact CB-CB 4.15Å; N599-R602 WeakPolarHBondContact O-CB 3.42Å; N599-R602 PolarHBondContact O-N 2.89Å; Q600-R602 PolarHBondContact O-N 3.03Å; R602-L605 PolarHBondContact O-N 2.9Å; R602-A606 PolarHBondContact O-N 2.77Å; R602-R1122 VanDerWaalsContact CZ-CB 3.43Å; R602-Y1123 PolarHBondContact NH1-O 3.36Å
603	R	84.4	Confident	68.2	Low	79 Å²	79	57.3 Å²	57.3	30%	0.298	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-49.1	175.3	-69.1	-174.7	169.9	161.3	4.3	111.9	D596 D598 N599 Q600 L601 L605 A606 D607 Y1123	D596-R603 IonicContact OD1-NH2 3.78Å; D596-R603 IonicContact OD2-CZ 3.85Å; D596-R603 IonicContact OD2-NH2 2.69Å; D596-R603 PolarHBondContact OD2-NH2 2Å; D598-R603 HydrophobicContact CB-CG 4.34Å; D598-R603 VanDerWaalsContact CB-CZ 3.45Å; D598-R603 VanDerWaalsContact CG-NE 3.3Å; D598-R603 IonicContact OD2-CZ 2.64Å; D598-R603 VanDerWaalsContact OD2-CZ 3.23Å; D598-R603 IonicContact OD2-NE 3.02Å; D598-R603 PolarHBondContact OD2-NE 3.03Å; D598-R603 IonicContact OD2-NH2 2.71Å; D598-R603 PolarHBondContact OD2-NH2 2.95Å; N599-R603 PolarHBondContact O-N 3.14Å; Q600-R603 PolarHBondContact O-N 2.89Å; L601-R603 VanDerWaalsContact C-N 3.3Å; L601-R603 PolarHBondContact O-N 3.22Å; R603-L605 VanDerWaalsContact C-N 3.29Å; R603-L605 PolarHBondContact O-N 3.14Å; R603-A606 PolarHBondContact O-N 2.83Å; R603-D607 PolarHBondContact O-N 2.89Å; R603-Y1123 HydrophobicContact CB-CD1 4.17Å; R603-Y1123 HydrophobicContact CG-CD1 3.98Å; R603-Y1123 HydrophobicContact CG-CG 4.12Å
604	Y	87.2	Confident	69.4	Low	75 Å²	75	60.5 Å²	60.5	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-34.8	178.9	-68.8	-14.5	0	0	0	113.3	Q600 L601 G608 I609 M618	Q600-Y604 PolarHBondContact O-N 3.46Å; L601-Y604 PolarHBondContact O-N 2.93Å; Y604-G608 PolarHBondContact O-N 3.08Å; Y604-G608 VanDerWaalsContact O-N 3.11Å; Y604-I609 HydrophobicContact CD1-CD1 3.71Å; Y604-I609 HydrophobicContact CE1-CD1 4.16Å; Y604-I609 PolarHBondContact O-N 2.96Å; Y604-I609 VanDerWaalsContact O-N 3.13Å; Y604-M618 HydrophobicContact CD2-CE 3.52Å; Y604-M618 HydrophobicContact CD2-SD 4.29Å; Y604-M618 HydrophobicContact CE2-CE 3.22Å
605	L	88.9	Confident	70.4	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-65.6	-48.1	173.6	-67.4	174	0	0	0	111.5	F527 V529 L601 R602 R603 D607 G608 H644 T653 A655	F527-L605 HydrophobicContact CE2-CD1 3.89Å; F527-L605 HydrophobicContact CZ-CD1 4.21Å; V529-L605 HydrophobicContact CG2-CD1 4.4Å; L601-L605 HydrophobicContact CD1-CD1 4.28Å; L601-L605 HydrophobicContact CD1-CG 4.24Å; L601-L605 HydrophobicContact CG-CD1 4.01Å; L601-L605 HydrophobicContact CG-CG 4.38Å; L601-L605 VanDerWaalsContact O-CG 3.27Å; L601-L605 WeakPolarHBondContact O-CG 3.39Å; L601-L605 PolarHBondContact O-N 3.03Å; R602-L605 PolarHBondContact O-N 2.9Å; R603-L605 VanDerWaalsContact C-N 3.29Å; R603-L605 PolarHBondContact O-N 3.14Å; L605-D607 VanDerWaalsContact C-N 3.29Å; L605-D607 PolarHBondContact O-N 2.89Å; L605-G608 PolarHBondContact O-N 2.83Å; L605-G608 VanDerWaalsContact O-N 3.14Å; L605-H644 HydrophobicContact CD2-CB 3.6Å; L605-T653 HydrophobicContact CD2-CG2 3.85Å; L605-T653 VanDerWaalsContact O-CB 3.27Å; L605-T653 WeakPolarHBondContact O-CB 2.9Å; L605-T653 PolarHBondContact O-OG1 2.99Å; L605-A655 HydrophobicContact CD2-CB 3.69Å
606	A	86.6	Confident	71.8	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-36.4	177.4	0	0	0	0	0	112.4	R602 R603 G608 R1125	R602-A606 PolarHBondContact O-N 2.77Å; R603-A606 PolarHBondContact O-N 2.83Å; A606-G608 VanDerWaalsContact C-N 3.31Å; A606-G608 PolarHBondContact O-N 3.19Å; A606-R1125 WeakPolarHBondContact O-CB 3.34Å
607	D	84.2	Confident	73.4	Confident	37 Å²	37	62 Å²	62	20%	0.198	31%	0.309	C	S	.	.	H	α-helix	trans	-74.4	-20.5	176.9	-77.5	-31.6	0	0	0	113.8	R603 L605 I609 Y1123 R1125	R603-D607 PolarHBondContact O-N 2.89Å; L605-D607 VanDerWaalsContact C-N 3.29Å; L605-D607 PolarHBondContact O-N 2.89Å; D607-I609 VanDerWaalsContact C-N 3.26Å; D607-I609 HydrophobicContact CB-CD1 3.75Å; D607-I609 HydrophobicContact CB-CG1 3.77Å; D607-Y1123 VanDerWaalsContact OD1-CE1 3.27Å; D607-Y1123 WeakPolarHBondContact OD1-CE1 3.4Å; D607-Y1123 PolarHBondContact OD1-OH 2.87Å; D607-R1125 PolarHBondContact O-NH1 2.61Å
608	G	83.5	Confident	75	Confident	17 Å²	17	57.7 Å²	57.7	18%	0.175	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	25.2	-171.3	0	0	0	0	0	113.7	Y604 L605 A606 G646 T653	Y604-G608 PolarHBondContact O-N 3.08Å; Y604-G608 VanDerWaalsContact O-N 3.11Å; L605-G608 PolarHBondContact O-N 2.83Å; L605-G608 VanDerWaalsContact O-N 3.14Å; A606-G608 VanDerWaalsContact C-N 3.31Å; A606-G608 PolarHBondContact O-N 3.19Å; G608-G646 PolarHBondContact O-N 2.72Å; G608-T653 WeakPolarHBondContact CA-OG1 3.46Å
609	I	84.1	Confident	76.4	Confident	73 Å²	73	59.5 Å²	59.5	37%	0.374	31%	0.307	S	S	.	.			trans	-62.2	145.5	171.8	-67.6	165.4	0	0	0	108	Y604 D607 H644	Y604-I609 HydrophobicContact CD1-CD1 3.71Å; Y604-I609 HydrophobicContact CE1-CD1 4.16Å; Y604-I609 PolarHBondContact O-N 2.96Å; Y604-I609 VanDerWaalsContact O-N 3.13Å; D607-I609 VanDerWaalsContact C-N 3.26Å; D607-I609 HydrophobicContact CB-CD1 3.75Å; D607-I609 HydrophobicContact CB-CG1 3.77Å; I609-H644 PolarHBondContact O-CE1 2.73Å; I609-H644 PolarHBondContact O-ND1 3.38Å
610	S	84.1	Confident	76.9	Confident	46 Å²	46	59.3 Å²	59.3	32%	0.322	31%	0.306	S	S	.	.			trans	-100.1	138.9	178.9	-66.7	0	0	0	0	110.8	K612 H644 R645	S610-K612 PolarHBondContact O-N 3.4Å; S610-H644 WeakPolarHBondContact CA-O 2.98Å; S610-R645 WeakPolarHBondContact OG-CD 3.43Å
611	S	81.6	Confident	76.9	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.			trans	-75.7	29.4	-173.9	66.8	0	0	0	0	116.1	G613 H644 R645	S611-G613 PolarHBondContact O-N 3.43Å; S611-H644 PolarHBondContact N-O 2.95Å; S611-H644 PolarHBondContact OG-N 3.22Å; S611-H644 PolarHBondContact OG-O 2.8Å; S611-R645 PolarHBondContact OG-NH1 3.17Å
612	K	71.6	Confident	76.6	Confident	141 Å²	141	56 Å²	56	61%	0.613	29%	0.291	S	S	*	.			trans	-76.2	113.8	-175.8	-71.5	-169.1	178	-177.5	0	111.9	E82 S610 R645	E82-K612 WeakPolarHBondContact OE1-CE 3.41Å; E82-K612 IonicContact OE1-NZ 3.13Å; E82-K612 PolarHBondContact OE1-NZ 3.03Å; S610-K612 PolarHBondContact O-N 3.4Å; K612-R645 VanDerWaalsContact CE-NH2 3.33Å
613	G	60.4	Low	76.1	Confident	45 Å²	45	56.1 Å²	56.1	46%	0.464	29%	0.293	S	S	.	.	S	Bend	trans	116.5	168.2	172.9	0	0	0	0	0	114.5	S611 Q615 A616	S611-G613 PolarHBondContact O-N 3.43Å; G613-Q615 PolarHBondContact O-N 3.17Å; G613-Q615 VanDerWaalsContact O-N 3.14Å; G613-A616 PolarHBondContact O-N 3.25Å
614	L	51.2	Low	75.6	Confident	181 Å²	181	53 Å²	53	95%	0.948	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.9	-175.6	-96.5	108.2	0	0	0	114.7
615	Q	50.7	Low	75	Confident	191 Å²	191	50.1 Å²	50.1	89%	0.893	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.7	-177.4	-71.6	-174.4	-27.4	0	0	114.4	G613	G613-Q615 PolarHBondContact O-N 3.17Å; G613-Q615 VanDerWaalsContact O-N 3.14Å
616	A	58.5	Low	74.2	Confident	14 Å²	14	50.8 Å²	50.8	12%	0.116	28%	0.277	C	S	.	.	S	Bend	trans	-118.4	0.5	-173.8	0	0	0	0	0	114.7	G613	G613-A616 PolarHBondContact O-N 3.25Å
617	K	69.6	Low	73.2	Confident	110 Å²	110	51.4 Å²	51.4	48%	0.478	28%	0.28	S	S	.	.			trans	-84.7	117.7	172	-62	-173.2	-176.9	-171.8	0	108.8	V641 F643	K617-V641 HydrophobicContact CB-CG1 4.46Å; K617-F643 HydrophobicContact CD-CE1 4.16Å; K617-F643 HydrophobicContact CG-CE1 4.5Å
618	M	78.2	Confident	71.8	Confident	27 Å²	27	51.4 Å²	51.4	13%	0.133	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.9	175.6	-68.1	-177	173.6	0	0	109.2	Q600 L601 Y604 V641 Y642	Q600-M618 HydrophobicContact CB-CE 3.49Å; Q600-M618 VanDerWaalsContact CB-CE 3.49Å; Q600-M618 HydrophobicContact CB-SD 4.18Å; L601-M618 VanDerWaalsContact CA-SD 3.5Å; L601-M618 HydrophobicContact CB-SD 3.66Å; L601-M618 HydrophobicContact CD1-SD 4.31Å; L601-M618 PolarHBondContact N-SD 2.95Å; L601-M618 VanDerWaalsContact N-SD 3.38Å; Y604-M618 HydrophobicContact CD2-CE 3.52Å; Y604-M618 HydrophobicContact CD2-SD 4.29Å; Y604-M618 HydrophobicContact CE2-CE 3.22Å; M618-V641 WeakPolarHBondContact O-CA 3.13Å; M618-Y642 PolarHBondContact O-N 3.16Å
619	S	82.3	Confident	70.1	Confident	56 Å²	56	53.2 Å²	53.2	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.5	172.6	-175.3	0	0	0	0	108.5	K639 N640 E660	S619-K639 WeakPolarHBondContact OG-CE 3.12Å; S619-N640 CarbonylContact C-O 3.55Å; S619-N640 WeakPolarHBondContact CA-O 3.03Å; S619-E660 PolarHBondContact OG-OE1 3.16Å
620	Q	80.7	Confident	68.4	Low	23 Å²	23	55 Å²	55	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.6	179.7	-52.3	-170.1	-15.4	0	0	110	L564 N599 V622 N640 Y642	L564-Q620 HydrophobicContact CD2-CB 3.77Å; L564-Q620 HydrophobicContact CD2-CG 4.26Å; N599-Q620 VanDerWaalsContact CG-NE2 3.34Å; N599-Q620 PolarHBondContact ND2-NE2 3.06Å; N599-Q620 VanDerWaalsContact ND2-NE2 3.13Å; N599-Q620 PolarHBondContact ND2-OE1 2.85Å; N599-Q620 PolarHBondContact OD1-NE2 3.1Å; Q620-V622 HydrophobicContact CB-CG1 4.27Å; Q620-N640 PolarHBondContact N-O 3.49Å; Q620-N640 PolarHBondContact O-N 3.33Å; Q620-Y642 HydrophobicContact CB-CE2 3.86Å; Q620-Y642 HydrophobicContact CG-CD2 4.38Å; Q620-Y642 HydrophobicContact CG-CE2 4.02Å
621	N	78.6	Confident	67.1	Low	54 Å²	54	54.4 Å²	54.4	29%	0.289	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	111.5	169.6	-66.3	-31.5	0	0	0	108	A565 K639	A565-N621 HydrophobicContact CB-CB 3.96Å; A565-N621 PolarHBondContact N-O 3.32Å; N621-K639 WeakPolarHBondContact OD1-CB 3.37Å; N621-K639 WeakPolarHBondContact OD1-CD 3.38Å; N621-K639 WeakPolarHBondContact OD1-CG 3.4Å
622	V	77.3	Confident	66.2	Low	0 Å²	0	55 Å²	55	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	151.2	-178.7	-64.1	0	0	0	0	111.4	E562 V563 L564 Q620 M624 T637 Q638 N640 Y642	E562-V622 HydrophobicContact CB-CG1 4.2Å; V563-V622 WeakPolarHBondContact O-CA 3.38Å; L564-V622 HydrophobicContact CD2-CG1 4.32Å; Q620-V622 HydrophobicContact CB-CG1 4.27Å; V622-M624 HydrophobicContact CG2-CG 4.08Å; V622-M624 HydrophobicContact CG2-SD 4.13Å; V622-T637 WeakPolarHBondContact O-CA 3.24Å; V622-Q638 HydrophobicContact CG2-CB 4.46Å; V622-Q638 WeakPolarHBondContact CG2-O 3.31Å; V622-Q638 PolarHBondContact N-O 3.3Å; V622-Q638 PolarHBondContact O-N 2.85Å; V622-N640 VanDerWaalsContact CG2-ND2 3.26Å; V622-N640 WeakPolarHBondContact CG2-ND2 3.45Å; V622-Y642 WeakPolarHBondContact CG1-OH 3.28Å
623	V	73.6	Confident	66.1	Low	9 Å²	9	52.5 Å²	52.5	6%	0.055	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114.5	172.8	-175.6	0	0	0	0	109	V563 A565 V635 T637 P1005 F1007	V563-V623 PolarHBondContact O-N 3.5Å; A565-V623 HydrophobicContact CB-CG2 4.14Å; V623-V635 HydrophobicContact CG1-CB 3.78Å; V623-V635 HydrophobicContact CG1-CG1 4.2Å; V623-V635 HydrophobicContact CG1-CG2 4.14Å; V623-T637 HydrophobicContact CG2-CG2 4.42Å; V623-P1005 HydrophobicContact CG1-CG 4.36Å; V623-F1007 HydrophobicContact CG1-CZ 4.05Å
624	M	75.7	Confident	66.8	Low	13 Å²	13	51.2 Å²	51.2	6%	0.064	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	115.6	-179.6	-65.7	-60.1	-74.2	0	0	111	Y525 Q540 V622 M626 V635 Y636 Q638	Y525-M624 HydrophobicContact CD1-CE 4.31Å; Y525-M624 HydrophobicContact CE1-CE 3.61Å; Y525-M624 HydrophobicContact CE1-SD 4.37Å; Q540-M624 HydrophobicContact CG-CE 3.89Å; V622-M624 HydrophobicContact CG2-CG 4.08Å; V622-M624 HydrophobicContact CG2-SD 4.13Å; M624-M626 HydrophobicContact CB-CE 4.12Å; M624-V635 CarbonylContact O-C 3.51Å; M624-V635 VanDerWaalsContact O-CA 3.27Å; M624-V635 WeakPolarHBondContact O-CA 3.27Å; M624-Y636 PolarHBondContact N-O 3.22Å; M624-Y636 PolarHBondContact O-N 3.39Å; M624-Q638 HydrophobicContact CG-CB 4.3Å
625	A	73.5	Confident	67.9	Low	14 Å²	14	42.8 Å²	42.8	12%	0.116	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.1	166	0	0	0	0	0	110.8	L632 R634 V635 F1007	A625-L632 HydrophobicContact CB-CD2 3.62Å; A625-R634 WeakPolarHBondContact CA-O 3.44Å; A625-V635 HydrophobicContact CB-CG1 4.19Å; A625-F1007 HydrophobicContact CB-CE1 4.35Å; A625-F1007 HydrophobicContact CB-CZ 4.33Å
626	M	72.9	Confident	69.1	Low	15 Å²	15	34.7 Å²	34.7	7%	0.074	20%	0.196	C	C	.	.			trans	-100.5	-14	-176.8	-65.7	-62.9	178	0	0	113.8	M624 R634 Y636 V831 K834 R835	M624-M626 HydrophobicContact CB-CE 4.12Å; M626-R634 PolarHBondContact N-O 3.39Å; M626-Y636 HydrophobicContact CB-CD2 4.27Å; M626-Y636 HydrophobicContact CB-CE2 4.1Å; M626-Y636 HydrophobicContact CE-CD2 3.83Å; M626-Y636 HydrophobicContact CE-CG 4.3Å; M626-Y636 HydrophobicContact CG-CD2 3.26Å; M626-Y636 HydrophobicContact CG-CE2 3.49Å; M626-Y636 VanDerWaalsContact CG-CE2 3.49Å; M626-Y636 HydrophobicContact CG-CG 4.47Å; M626-Y636 HydrophobicContact SD-CD2 4.42Å; M626-V831 WeakPolarHBondContact O-CG1 3.37Å; M626-V831 VanDerWaalsContact O-CG2 3.31Å; M626-V831 WeakPolarHBondContact O-CG2 3.25Å; M626-K834 HydrophobicContact SD-CB 3.86Å; M626-K834 HydrophobicContact SD-CD 4.3Å; M626-R835 HydrophobicContact CB-CG 4.34Å
627	D	65.4	Low	70	Confident	14 Å²	14	36.7 Å²	36.7	8%	0.075	21%	0.207	C	C	.	.	S	Bend	trans	-76.4	154.6	-176.5	-69.5	-40.8	0	0	0	113	R542 S631 R633 R634	R542-D627 PolarHBondContact NH2-O 3.15Å; D627-S631 WeakPolarHBondContact CB-O 3.03Å; D627-R633 WeakPolarHBondContact OD2-CA 3.14Å; D627-R633 WeakPolarHBondContact OD2-CB 3.33Å; D627-R633 PolarHBondContact OD2-N 3.08Å; D627-R634 IonicContact OD1-NH1 3.65Å; D627-R634 PolarHBondContact OD2-N 2.7Å
628	G	54.5	Low	70.4	Confident	36 Å²	36	32.2 Å²	32.2	37%	0.371	19%	0.188	S	C	.	.			trans	-67.6	-173.6	178.2	0	0	0	0	0	113.8	R542 D630 S631 V831	R542-G628 VanDerWaalsContact CZ-O 3.24Å; R542-G628 PolarHBondContact NH2-O 3.06Å; G628-D630 PolarHBondContact O-N 3.11Å; G628-S631 PolarHBondContact O-N 2.87Å; G628-V831 VanDerWaalsContact N-CG2 3.33Å
629	A	46.8	Very low	70.8	Confident	56 Å²	56	35.5 Å²	35.5	46%	0.463	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-29.6	-167.2	0	0	0	0	0	115.7	R542	R542-A629 PolarHBondContact NH1-O 3.11Å
630	D	48.6	Very low	71.1	Confident	111 Å²	111	32.9 Å²	32.9	59%	0.594	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	-2.5	-167.1	-58.2	-44.8	0	0	0	115.4	G628	G628-D630 PolarHBondContact O-N 3.11Å
631	S	57.3	Low	71.5	Confident	33 Å²	33	33 Å²	33	23%	0.231	19%	0.185	C	C	.	.			trans	-145	148.1	179.3	73.2	0	0	0	0	112.9	R542 D627 G628	R542-S631 PolarHBondContact NH1-O 3.47Å; R542-S631 PolarHBondContact NH2-O 3Å; D627-S631 WeakPolarHBondContact CB-O 3.03Å; G628-S631 PolarHBondContact O-N 2.87Å
632	L	63.7	Low	72.1	Confident	12 Å²	12	30.5 Å²	30.5	6%	0.063	17%	0.172	C	C	.	.			trans	-122.5	55.5	174.8	-73.2	169.4	0	0	0	107.8	A625 F1007 D1009 F1022 F1101	A625-L632 HydrophobicContact CB-CD2 3.62Å; L632-F1007 HydrophobicContact CD1-CB 3.52Å; L632-F1007 HydrophobicContact CD1-CG 4.13Å; L632-F1007 HydrophobicContact CD2-CG 4.43Å; L632-D1009 HydrophobicContact CD1-CB 3.84Å; L632-F1022 HydrophobicContact CB-CZ 4.5Å; L632-F1022 WeakPolarHBondContact O-CE1 3.47Å; L632-F1022 VanDerWaalsContact O-CZ 3.24Å; L632-F1022 WeakPolarHBondContact O-CZ 3.32Å; L632-F1101 HydrophobicContact CB-CE1 4.08Å; L632-F1101 WeakPolarHBondContact O-CE1 3.33Å; L632-F1101 WeakPolarHBondContact O-CZ 3.5Å
633	R	68	Low	72.7	Confident	88 Å²	88	31 Å²	31	33%	0.332	17%	0.174	S	C	.	.			trans	-88.5	-31.5	-173.4	-65.2	174.3	-179.2	-156.1	0.9	112.5	D627 Y932 G950 F1101	D627-R633 WeakPolarHBondContact OD2-CA 3.14Å; D627-R633 WeakPolarHBondContact OD2-CB 3.33Å; D627-R633 PolarHBondContact OD2-N 3.08Å; R633-Y932 WeakPolarHBondContact CA-OH 3.48Å; R633-Y932 HydrophobicContact CB-CE1 4.27Å; R633-Y932 HydrophobicContact CB-CE2 3.79Å; R633-Y932 VanDerWaalsContact CB-OH 3.32Å; R633-Y932 WeakPolarHBondContact CB-OH 3.38Å; R633-Y932 HydrophobicContact CG-CE1 4.13Å; R633-Y932 WeakPolarHBondContact CG-OH 3.31Å; R633-Y932 WeakPolarHBondContact O-CE2 3.3Å; R633-Y932 PolarHBondContact O-OH 3.39Å; R633-G950 PolarHBondContact NH1-O 2.75Å; R633-F1101 HydrophobicContact CB-CZ 4.35Å; R633-F1101 HydrophobicContact CG-CE2 3.87Å; R633-F1101 HydrophobicContact CG-CZ 3.72Å
634	R	75.4	Confident	73.6	Confident	19 Å²	19	30.6 Å²	30.6	7%	0.072	17%	0.172	C	C	.	.			trans	-127.4	129.8	-168.9	-54.6	-167.8	173.2	96.6	-8.3	111.4	A625 M626 D627 R835 D847 D928 H930	A625-R634 WeakPolarHBondContact CA-O 3.44Å; M626-R634 PolarHBondContact N-O 3.39Å; D627-R634 IonicContact OD1-NH1 3.65Å; D627-R634 PolarHBondContact OD2-N 2.7Å; R634-R835 VanDerWaalsContact CD-NE 3.34Å; R634-R835 VanDerWaalsContact NE-CZ 3.32Å; R634-D847 IonicContact CZ-OD1 2.78Å; R634-D847 IonicContact NH1-OD1 3.87Å; R634-D847 IonicContact NH2-OD1 3.57Å; R634-D847 PolarHBondContact NH2-OD1 3.01Å; R634-D928 IonicContact CZ-OD2 3.83Å; R634-D928 IonicContact NE-OD2 3.38Å; R634-D928 PolarHBondContact NE-OD2 3.44Å; R634-D928 IonicContact NH2-OD2 3.74Å; R634-D928 PolarHBondContact NH2-OD2 3.17Å; R634-H930 VanDerWaalsContact CB-CD2 3.47Å; R634-H930 WeakPolarHBondContact CB-CD2 3.48Å; R634-H930 VanDerWaalsContact CG-CD2 3.47Å; R634-H930 WeakPolarHBondContact CG-CD2 3.34Å
635	V	74.5	Confident	74.4	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	146.9	-175.8	-63.4	0	0	0	0	110.2	V623 M624 A625 H930 F1007 F1022 L1024	V623-V635 HydrophobicContact CG1-CB 3.78Å; V623-V635 HydrophobicContact CG1-CG1 4.2Å; V623-V635 HydrophobicContact CG1-CG2 4.14Å; M624-V635 CarbonylContact O-C 3.51Å; M624-V635 VanDerWaalsContact O-CA 3.27Å; M624-V635 WeakPolarHBondContact O-CA 3.27Å; A625-V635 HydrophobicContact CB-CG1 4.19Å; V635-H930 PolarHBondContact O-CE1 3.05Å; V635-H930 PolarHBondContact O-NE2 3.37Å; V635-F1007 HydrophobicContact CG1-CE2 3.89Å; V635-F1007 HydrophobicContact CG1-CZ 4.01Å; V635-F1022 HydrophobicContact CB-CD1 4.17Å; V635-F1022 HydrophobicContact CB-CE1 4.45Å; V635-F1022 HydrophobicContact CB-CG 4.37Å; V635-F1022 HydrophobicContact CG1-CD1 3.62Å; V635-F1022 HydrophobicContact CG1-CD2 4.22Å; V635-F1022 HydrophobicContact CG1-CE1 3.44Å; V635-F1022 VanDerWaalsContact CG1-CE1 3.44Å; V635-F1022 HydrophobicContact CG1-CE2 4.1Å; V635-F1022 HydrophobicContact CG1-CG 3.99Å; V635-F1022 HydrophobicContact CG1-CZ 3.69Å; V635-F1022 HydrophobicContact CG2-CB 3.43Å; V635-F1022 VanDerWaalsContact CG2-CB 3.43Å; V635-F1022 HydrophobicContact CG2-CD1 3.48Å; V635-F1022 VanDerWaalsContact CG2-CD1 3.48Å; V635-F1022 HydrophobicContact CG2-CD2 4.16Å; V635-F1022 HydrophobicContact CG2-CE1 4.21Å; V635-F1022 HydrophobicContact CG2-CG 3.42Å; V635-F1022 VanDerWaalsContact CG2-CG 3.42Å; V635-L1024 HydrophobicContact CG2-CD2 4.39Å; V635-L1024 WeakPolarHBondContact O-CD2 3.31Å
636	Y	76.2	Confident	75.2	Confident	21 Å²	21	30.2 Å²	30.2	8%	0.082	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.3	172.7	-58.5	-98.1	0	0	0	109.2	M624 M626 R835 Q838 F839 E929 H930	M624-Y636 PolarHBondContact N-O 3.22Å; M624-Y636 PolarHBondContact O-N 3.39Å; M626-Y636 HydrophobicContact CB-CD2 4.27Å; M626-Y636 HydrophobicContact CB-CE2 4.1Å; M626-Y636 HydrophobicContact CE-CD2 3.83Å; M626-Y636 HydrophobicContact CE-CG 4.3Å; M626-Y636 HydrophobicContact CG-CD2 3.26Å; M626-Y636 HydrophobicContact CG-CE2 3.49Å; M626-Y636 VanDerWaalsContact CG-CE2 3.49Å; M626-Y636 HydrophobicContact CG-CG 4.47Å; M626-Y636 HydrophobicContact SD-CD2 4.42Å; Y636-R835 HydrophobicContact CE2-CG 4.11Å; Y636-R835 PolarHBondContact OH-NE 2.75Å; Y636-Q838 HydrophobicContact CD1-CB 3.97Å; Y636-Q838 HydrophobicContact CD1-CG 3.68Å; Y636-Q838 HydrophobicContact CD2-CG 4.07Å; Y636-Q838 HydrophobicContact CE1-CB 3.89Å; Y636-Q838 HydrophobicContact CE1-CG 3.82Å; Y636-Q838 HydrophobicContact CE2-CG 4.17Å; Y636-Q838 HydrophobicContact CG-CG 3.81Å; Y636-F839 HydrophobicContact CE1-CE2 4.4Å; Y636-E929 PolarHBondContact OH-OE1 3.29Å; Y636-H930 AromaticContact CE2-NE2 3.9Å; Y636-H930 AromaticContact CZ-NE2 3.66Å
637	T	77.1	Confident	76	Confident	56 Å²	56	29.8 Å²	29.8	34%	0.344	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	135	172.4	47.2	0	0	0	0	109.6	V622 V623 L1024	V622-T637 WeakPolarHBondContact O-CA 3.24Å; V623-T637 HydrophobicContact CG2-CG2 4.42Å; T637-L1024 HydrophobicContact CG2-CD1 3.57Å
638	Q	78.9	Confident	77.1	Confident	17 Å²	17	35.9 Å²	35.9	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131	177.6	-168.1	175.1	-51.9	0	0	109.1	N523 V622 M624 N640 P659	N523-Q638 PolarHBondContact O-NE2 3.22Å; V622-Q638 HydrophobicContact CG2-CB 4.46Å; V622-Q638 WeakPolarHBondContact CG2-O 3.31Å; V622-Q638 PolarHBondContact N-O 3.3Å; V622-Q638 PolarHBondContact O-N 2.85Å; M624-Q638 HydrophobicContact CG-CB 4.3Å; Q638-N640 VanDerWaalsContact CG-OD1 3.31Å; Q638-N640 WeakPolarHBondContact CG-OD1 3.41Å; Q638-N640 PolarHBondContact NE2-OD1 2.85Å; Q638-P659 HydrophobicContact CG-CB 3.77Å; Q638-P659 HydrophobicContact CG-CG 4.26Å
639	K	85.5	Confident	78.4	Confident	96 Å²	96	39.6 Å²	39.6	42%	0.417	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	103	174.9	-174.3	169.8	-177.7	-135.2	0	109.6	S619 N621 P659 E660	S619-K639 WeakPolarHBondContact OG-CE 3.12Å; N621-K639 WeakPolarHBondContact OD1-CB 3.37Å; N621-K639 WeakPolarHBondContact OD1-CD 3.38Å; N621-K639 WeakPolarHBondContact OD1-CG 3.4Å; K639-P659 WeakPolarHBondContact O-CA 3.17Å; K639-E660 WeakPolarHBondContact CD-OE2 3.31Å; K639-E660 WeakPolarHBondContact CE-OE1 3.22Å; K639-E660 WeakPolarHBondContact CE-OE2 3.27Å; K639-E660 HydrophobicContact CG-CG 4.34Å; K639-E660 IonicContact NZ-OE1 3.39Å; K639-E660 PolarHBondContact NZ-OE1 3.27Å; K639-E660 IonicContact NZ-OE2 3.67Å; K639-E660 PolarHBondContact NZ-OE2 3.1Å; K639-E660 PolarHBondContact O-N 2.98Å; K639-E660 VanDerWaalsContact O-N 3.07Å
640	N	88.5	Confident	80.2	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	134.9	-173.3	-76.4	-18.5	0	0	0	111.9	Y525 S619 Q620 V622 Q638 Y642 A657	Y525-N640 PolarHBondContact OH-ND2 3.44Å; Y525-N640 VanDerWaalsContact OH-ND2 3.07Å; S619-N640 CarbonylContact C-O 3.55Å; S619-N640 WeakPolarHBondContact CA-O 3.03Å; Q620-N640 PolarHBondContact N-O 3.49Å; Q620-N640 PolarHBondContact O-N 3.33Å; V622-N640 VanDerWaalsContact CG2-ND2 3.26Å; V622-N640 WeakPolarHBondContact CG2-ND2 3.45Å; Q638-N640 VanDerWaalsContact CG-OD1 3.31Å; Q638-N640 WeakPolarHBondContact CG-OD1 3.41Å; Q638-N640 PolarHBondContact NE2-OD1 2.85Å; N640-Y642 HydrophobicContact CB-CD2 4.23Å; N640-Y642 HydrophobicContact CB-CE2 3.48Å; N640-Y642 VanDerWaalsContact CB-CE2 3.48Å; N640-Y642 WeakPolarHBondContact O-CE2 3.34Å; N640-A657 HydrophobicContact CB-CB 4.31Å
641	V	89.6	Confident	82	Confident	26 Å²	26	34.4 Å²	34.4	16%	0.158	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	127.3	163.9	-176.6	0	0	0	0	108.6	K617 M618 F643 V658 E660	K617-V641 HydrophobicContact CB-CG1 4.46Å; M618-V641 WeakPolarHBondContact O-CA 3.13Å; V641-F643 HydrophobicContact CB-CE2 4.21Å; V641-F643 HydrophobicContact CG1-CE2 3.75Å; V641-F643 HydrophobicContact CG1-CZ 3.95Å; V641-V658 PolarHBondContact N-O 2.88Å; V641-V658 PolarHBondContact O-N 2.94Å; V641-E660 HydrophobicContact CG2-CG 3.57Å
642	Y	90.4	Very high	83.6	Confident	1 Å²	1	33.2 Å²	33.2	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.3	-174.7	-66.2	-99.3	0	0	0	111.9	F527 E562 L601 M618 Q620 V622 N640 L656 A657	F527-Y642 HydrophobicContact CE1-CD1 4.02Å; F527-Y642 AromaticContact CE1-CE1 3.97Å; F527-Y642 HydrophobicContact CE1-CE1 3.97Å; F527-Y642 AromaticContact CZ-CD1 3.97Å; F527-Y642 HydrophobicContact CZ-CD1 3.97Å; F527-Y642 AromaticContact CZ-CE1 3.98Å; F527-Y642 HydrophobicContact CZ-CE1 3.98Å; E562-Y642 VanDerWaalsContact CD-OH 3.27Å; E562-Y642 PolarHBondContact OE1-OH 2.92Å; E562-Y642 WeakPolarHBondContact OE2-CE1 3.46Å; E562-Y642 VanDerWaalsContact OE2-CZ 3.28Å; E562-Y642 PolarHBondContact OE2-OH 2.94Å; L601-Y642 HydrophobicContact CD1-CD1 4.46Å; L601-Y642 HydrophobicContact CD1-CG 4.16Å; L601-Y642 HydrophobicContact CD2-CD1 3.63Å; L601-Y642 HydrophobicContact CD2-CD2 3.81Å; L601-Y642 HydrophobicContact CD2-CE1 3.83Å; L601-Y642 HydrophobicContact CD2-CE2 4.05Å; L601-Y642 HydrophobicContact CD2-CG 3.6Å; M618-Y642 PolarHBondContact O-N 3.16Å; Q620-Y642 HydrophobicContact CB-CE2 3.86Å; Q620-Y642 HydrophobicContact CG-CD2 4.38Å; Q620-Y642 HydrophobicContact CG-CE2 4.02Å; V622-Y642 WeakPolarHBondContact CG1-OH 3.28Å; N640-Y642 HydrophobicContact CB-CD2 4.23Å; N640-Y642 HydrophobicContact CB-CE2 3.48Å; N640-Y642 VanDerWaalsContact CB-CE2 3.48Å; N640-Y642 WeakPolarHBondContact O-CE2 3.34Å; Y642-L656 WeakPolarHBondContact CA-O 3.16Å; Y642-A657 HydrophobicContact CD1-CB 4.13Å; Y642-A657 HydrophobicContact CE1-CB 3.83Å
643	F	91.1	Very high	85	Confident	12 Å²	12	32.7 Å²	32.7	5%	0.053	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134	171.6	-58.7	-96.2	0	0	0	108.1	P77 E78 I81 K617 V641 A655 L656 V658	P77-F643 HydrophobicContact CB-CD1 4.16Å; P77-F643 HydrophobicContact CB-CD2 3.65Å; P77-F643 HydrophobicContact CB-CE1 4.03Å; P77-F643 HydrophobicContact CB-CE2 3.53Å; P77-F643 HydrophobicContact CB-CG 3.97Å; P77-F643 HydrophobicContact CB-CZ 3.73Å; P77-F643 HydrophobicContact CG-CD2 4.39Å; P77-F643 HydrophobicContact CG-CE2 3.79Å; P77-F643 HydrophobicContact CG-CZ 3.85Å; E78-F643 HydrophobicContact CG-CD1 4.03Å; E78-F643 HydrophobicContact CG-CE1 3.99Å; E78-F643 VanDerWaalsContact OE1-CD1 3.31Å; E78-F643 WeakPolarHBondContact OE1-CD1 3.44Å; I81-F643 HydrophobicContact CD1-CB 4.09Å; I81-F643 VanDerWaalsContact CD1-O 3.24Å; I81-F643 WeakPolarHBondContact CD1-O 3.43Å; K617-F643 HydrophobicContact CD-CE1 4.16Å; K617-F643 HydrophobicContact CG-CE1 4.5Å; V641-F643 HydrophobicContact CB-CE2 4.21Å; V641-F643 HydrophobicContact CG1-CE2 3.75Å; V641-F643 HydrophobicContact CG1-CZ 3.95Å; F643-A655 CarbonylContact O-C 3.45Å; F643-A655 VanDerWaalsContact O-CA 3.27Å; F643-A655 WeakPolarHBondContact O-CA 3.42Å; F643-L656 HydrophobicContact CB-CB 4.34Å; F643-L656 PolarHBondContact N-O 3.05Å; F643-L656 PolarHBondContact O-N 2.92Å; F643-V658 HydrophobicContact CD2-CG2 4.14Å; F643-V658 HydrophobicContact CE2-CB 4.37Å; F643-V658 HydrophobicContact CE2-CG2 4.14Å
644	H	91.8	Very high	86.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.7	-175.1	58.3	85.2	0	0	0	112.8	L605 I609 S610 S611 T653 L654 A655	L605-H644 HydrophobicContact CD2-CB 3.6Å; I609-H644 PolarHBondContact O-CE1 2.73Å; I609-H644 PolarHBondContact O-ND1 3.38Å; S610-H644 WeakPolarHBondContact CA-O 2.98Å; S611-H644 PolarHBondContact N-O 2.95Å; S611-H644 PolarHBondContact OG-N 3.22Å; S611-H644 PolarHBondContact OG-O 2.8Å; H644-T653 HydrophobicContact CB-CG2 4.25Å; H644-L654 CarbonylContact C-O 3.57Å; H644-L654 VanDerWaalsContact CA-O 3.31Å; H644-L654 WeakPolarHBondContact CA-O 3.44Å; H644-A655 HydrophobicContact CB-CB 4.1Å
645	R	92.1	Very high	87.1	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.015	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	126	-179.2	-66.4	-60.4	-169.9	-82.8	-6.6	110.9	E78 I81 E82 K85 S610 S611 K612 L654	E78-R645 IonicContact OE2-CZ 3.67Å; E78-R645 VanDerWaalsContact OE2-CZ 3.25Å; E78-R645 IonicContact OE2-NH1 3.48Å; E78-R645 PolarHBondContact OE2-NH1 3.45Å; E78-R645 IonicContact OE2-NH2 3.24Å; E78-R645 PolarHBondContact OE2-NH2 3.26Å; I81-R645 HydrophobicContact CD1-CB 4.46Å; I81-R645 HydrophobicContact CD1-CG 4Å; I81-R645 HydrophobicContact CG1-CG 4.03Å; I81-R645 HydrophobicContact CG2-CG 4.15Å; E82-R645 IonicContact OE1-CZ 2.78Å; E82-R645 IonicContact OE1-NE 2.94Å; E82-R645 PolarHBondContact OE1-NE 3.46Å; E82-R645 IonicContact OE1-NH2 3.63Å; E82-R645 PolarHBondContact OE1-NH2 3.31Å; E82-R645 VanDerWaalsContact OE1-NH2 3.13Å; K85-R645 HydrophobicContact CD-CB 3.98Å; K85-R645 HydrophobicContact CD-CG 4.3Å; S610-R645 WeakPolarHBondContact OG-CD 3.43Å; S611-R645 PolarHBondContact OG-NH1 3.17Å; K612-R645 VanDerWaalsContact CE-NH2 3.33Å; R645-L654 PolarHBondContact N-O 2.72Å; R645-L654 PolarHBondContact O-N 2.83Å
646	G	91.3	Very high	87.9	Confident	14 Å²	14	27.6 Å²	27.6	14%	0.144	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	139.7	165.3	0	0	0	0	0	111.4	K85 G608	K85-G646 WeakPolarHBondContact CE-O 3.3Å; K85-G646 PolarHBondContact NZ-O 3.13Å; K85-G646 VanDerWaalsContact NZ-O 3.11Å; G608-G646 PolarHBondContact O-N 2.72Å
647	I	90.5	Very high	88.7	Confident	6 Å²	6	26.6 Å²	26.6	3%	0.031	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-93.1	121.9	178.2	-59.9	173.1	0	0	0	108.6	L88 E89 L92 T650 M652 L654	L88-I647 HydrophobicContact CB-CD1 4.41Å; L88-I647 HydrophobicContact CD1-CD1 4.01Å; E89-I647 HydrophobicContact CG-CG2 3.76Å; L92-I647 HydrophobicContact CD1-CG2 4.06Å; I647-T650 WeakPolarHBondContact CB-OG1 3.49Å; I647-T650 HydrophobicContact CG2-CG2 3.94Å; I647-T650 WeakPolarHBondContact CG2-OG1 3.41Å; I647-T650 PolarHBondContact O-N 3.35Å; I647-T650 PolarHBondContact O-OG1 3.28Å; I647-M652 WeakPolarHBondContact CB-O 3.45Å; I647-M652 HydrophobicContact CD1-CB 4.14Å; I647-M652 PolarHBondContact N-O 2.75Å; I647-L654 HydrophobicContact CD1-CB 4.29Å; I647-L654 HydrophobicContact CG1-CB 4.34Å
648	K	87.6	Confident	89.3	Confident	142 Å²	142	24.1 Å²	24.1	62%	0.617	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	145	-177.6	-71.2	174.1	-178.2	178.7	0	112.3	E89 T650	E89-K648 HydrophobicContact CG-CB 4.5Å; E89-K648 WeakPolarHBondContact OE1-CB 3.17Å; E89-K648 WeakPolarHBondContact OE1-CG 3.5Å; E89-K648 PolarHBondContact OE1-N 2.92Å; K648-T650 PolarHBondContact O-N 2.98Å
649	N	81.6	Confident	89.7	Confident	115 Å²	115	23.7 Å²	23.7	62%	0.615	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	21.3	179.6	-54.3	-30.1	0	0	0	114.6	W472	W472-N649 PolarHBondContact NE1-O 3.07Å
650	T	85.8	Confident	89.5	Confident	21 Å²	21	23.2 Å²	23.2	13%	0.129	12%	0.119	C	C	.	.	S	Bend	trans	-138.2	166.5	172.9	77	0	0	0	0	108.6	L92 I647 K648 M652	L92-T650 HydrophobicContact CD1-CG2 3.96Å; I647-T650 WeakPolarHBondContact CB-OG1 3.49Å; I647-T650 HydrophobicContact CG2-CG2 3.94Å; I647-T650 WeakPolarHBondContact CG2-OG1 3.41Å; I647-T650 PolarHBondContact O-N 3.35Å; I647-T650 PolarHBondContact O-OG1 3.28Å; K648-T650 PolarHBondContact O-N 2.98Å; T650-M652 VanDerWaalsContact C-N 3.3Å; T650-M652 PolarHBondContact OG1-N 2.8Å
651	L	84.8	Confident	88.8	Confident	37 Å²	37	32.1 Å²	32.1	19%	0.194	16%	0.161	C	C	.	.	S	Bend	trans	-94.9	14	171.1	-68.1	-177.8	0	0	0	112.3	D530 N531 P1127	D530-L651 CarbonylContact C-O 3.59Å; N531-L651 HydrophobicContact CB-CB 4Å; N531-L651 HydrophobicContact CB-CD1 4.39Å; N531-L651 PolarHBondContact N-O 3.23Å; L651-P1127 HydrophobicContact CD1-CB 4.16Å; L651-P1127 HydrophobicContact CD1-CG 4.28Å
652	M	90.6	Very high	88.1	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.034	16%	0.161	C	C	.	.			trans	-99.1	149.8	-174.8	-60.2	-179.2	-178.7	0	0	112.1	T473 A486 I528 V529 V536 I647 T650	T473-M652 WeakPolarHBondContact O-CE 3.44Å; A486-M652 HydrophobicContact CB-CE 4.01Å; I528-M652 HydrophobicContact CG2-CB 4.02Å; I528-M652 HydrophobicContact CG2-CG 4.47Å; I528-M652 HydrophobicContact CG2-SD 4.26Å; V529-M652 CarbonylContact O-C 3.48Å; V529-M652 WeakPolarHBondContact O-CA 3.24Å; V536-M652 HydrophobicContact CG2-CE 4.26Å; V536-M652 HydrophobicContact CG2-SD 4.41Å; I647-M652 WeakPolarHBondContact CB-O 3.45Å; I647-M652 HydrophobicContact CD1-CB 4.14Å; I647-M652 PolarHBondContact N-O 2.75Å; T650-M652 VanDerWaalsContact C-N 3.3Å; T650-M652 PolarHBondContact OG1-N 2.8Å
653	T	92.9	Very high	87.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126	176.2	-59	0	0	0	0	109.9	I528 V529 L605 G608 H644	I528-T653 WeakPolarHBondContact CA-O 3.39Å; V529-T653 PolarHBondContact N-O 2.98Å; V529-T653 PolarHBondContact O-N 2.93Å; L605-T653 HydrophobicContact CD2-CG2 3.85Å; L605-T653 VanDerWaalsContact O-CB 3.27Å; L605-T653 WeakPolarHBondContact O-CB 2.9Å; L605-T653 PolarHBondContact O-OG1 2.99Å; G608-T653 WeakPolarHBondContact CA-OG1 3.46Å; H644-T653 HydrophobicContact CB-CG2 4.25Å
654	L	94.5	Very high	87.3	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.5	168.9	174.4	68.4	0	0	0	108.8	I81 M84 K85 L88 A515 I528 H644 R645 I647	I81-L654 HydrophobicContact CG1-CD2 3.78Å; I81-L654 HydrophobicContact CG1-CG 4.21Å; M84-L654 HydrophobicContact CB-CD2 3.65Å; K85-L654 HydrophobicContact CB-CD2 4.41Å; L88-L654 HydrophobicContact CD1-CB 4.28Å; L88-L654 HydrophobicContact CD1-CD1 3.93Å; L88-L654 HydrophobicContact CD1-CD2 4Å; L88-L654 HydrophobicContact CD1-CG 4.28Å; A515-L654 HydrophobicContact CB-CD1 3.86Å; I528-L654 HydrophobicContact CG1-CD1 4.12Å; H644-L654 CarbonylContact C-O 3.57Å; H644-L654 VanDerWaalsContact CA-O 3.31Å; H644-L654 WeakPolarHBondContact CA-O 3.44Å; R645-L654 PolarHBondContact N-O 2.72Å; R645-L654 PolarHBondContact O-N 2.83Å; I647-L654 HydrophobicContact CD1-CB 4.29Å; I647-L654 HydrophobicContact CG1-CB 4.34Å
655	A	93.4	Very high	87.1	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.6	172.5	0	0	0	0	0	111.7	S526 F527 L605 F643 H644	S526-A655 WeakPolarHBondContact CA-O 3.4Å; F527-A655 HydrophobicContact CD1-CB 4.05Å; F527-A655 HydrophobicContact CD2-CB 4.04Å; F527-A655 HydrophobicContact CE1-CB 3.6Å; F527-A655 HydrophobicContact CE2-CB 3.58Å; F527-A655 HydrophobicContact CG-CB 4.26Å; F527-A655 HydrophobicContact CZ-CB 3.35Å; F527-A655 PolarHBondContact N-O 3.48Å; F527-A655 PolarHBondContact O-N 3Å; L605-A655 HydrophobicContact CD2-CB 3.69Å; F643-A655 CarbonylContact O-C 3.45Å; F643-A655 VanDerWaalsContact O-CA 3.27Å; F643-A655 WeakPolarHBondContact O-CA 3.42Å; H644-A655 HydrophobicContact CB-CB 4.1Å
656	L	92.4	Very high	86.8	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.9	178	176.2	68.1	0	0	0	107.9	P77 I81 L520 Y642 F643 V658	P77-L656 HydrophobicContact CB-CD2 3.81Å; I81-L656 HydrophobicContact CD1-CB 4.15Å; L520-L656 HydrophobicContact CD1-CD1 3.3Å; L520-L656 HydrophobicContact CD2-CD1 3.38Å; L520-L656 HydrophobicContact CD2-CD2 4.16Å; L520-L656 HydrophobicContact CD2-CG 4.43Å; L520-L656 HydrophobicContact CG-CD1 3.92Å; Y642-L656 WeakPolarHBondContact CA-O 3.16Å; F643-L656 HydrophobicContact CB-CB 4.34Å; F643-L656 PolarHBondContact N-O 3.05Å; F643-L656 PolarHBondContact O-N 2.92Å; L656-V658 HydrophobicContact CD1-CG2 4.29Å; L656-V658 HydrophobicContact CD2-CG2 3.66Å; L656-V658 HydrophobicContact CG-CG2 3.63Å
657	A	91.6	Very high	86.4	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.1	171.2	0	0	0	0	0	108.8	A524 Y525 F527 N640 Y642	A524-A657 VanDerWaalsContact CA-O 3.29Å; A524-A657 WeakPolarHBondContact CA-O 3.22Å; Y525-A657 HydrophobicContact CD1-CB 4.24Å; Y525-A657 HydrophobicContact CD2-CB 4.11Å; Y525-A657 HydrophobicContact CE1-CB 3.75Å; Y525-A657 HydrophobicContact CE2-CB 3.6Å; Y525-A657 HydrophobicContact CG-CB 4.4Å; Y525-A657 PolarHBondContact N-O 2.62Å; Y525-A657 VanDerWaalsContact N-O 3.09Å; Y525-A657 PolarHBondContact O-N 2.78Å; F527-A657 HydrophobicContact CE1-CB 4.25Å; N640-A657 HydrophobicContact CB-CB 4.31Å; Y642-A657 HydrophobicContact CD1-CB 4.13Å; Y642-A657 HydrophobicContact CE1-CB 3.83Å
658	V	90.3	Very high	85.6	Confident	4 Å²	4	39 Å²	39	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117	179.4	-174.3	0	0	0	0	109.4	F75 P77 V641 F643 L656 E660	F75-V658 HydrophobicContact CE2-CG2 4.35Å; F75-V658 HydrophobicContact CZ-CG1 3.86Å; F75-V658 HydrophobicContact CZ-CG2 4.29Å; P77-V658 HydrophobicContact CB-CG2 4.07Å; P77-V658 HydrophobicContact CG-CG2 4.1Å; V641-V658 PolarHBondContact N-O 2.88Å; V641-V658 PolarHBondContact O-N 2.94Å; F643-V658 HydrophobicContact CD2-CG2 4.14Å; F643-V658 HydrophobicContact CE2-CB 4.37Å; F643-V658 HydrophobicContact CE2-CG2 4.14Å; L656-V658 HydrophobicContact CD1-CG2 4.29Å; L656-V658 HydrophobicContact CD2-CG2 3.66Å; L656-V658 HydrophobicContact CG-CG2 3.63Å; V658-E660 PolarHBondContact O-N 2.77Å
659	P	87.3	Confident	84.5	Confident	8 Å²	8	35.1 Å²	35.1	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.9	171	7.4	-10	0	0	0	111.1	N523 Q638 K639 E661 A662	N523-P659 HydrophobicContact CB-CG 3.9Å; Q638-P659 HydrophobicContact CG-CB 3.77Å; Q638-P659 HydrophobicContact CG-CG 4.26Å; K639-P659 WeakPolarHBondContact O-CA 3.17Å; P659-E661 PolarHBondContact O-N 3.16Å; P659-A662 HydrophobicContact CB-CB 4.26Å; P659-A662 HydrophobicContact CG-CB 3.8Å; P659-A662 PolarHBondContact O-N 3.46Å
660	E	81.4	Confident	83.2	Confident	87 Å²	87	32.9 Å²	32.9	41%	0.407	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.4	-178.9	-72.3	-177.9	-176.8	0	0	112.9	S619 K639 V641 V658 V663	S619-E660 PolarHBondContact OG-OE1 3.16Å; K639-E660 WeakPolarHBondContact CD-OE2 3.31Å; K639-E660 WeakPolarHBondContact CE-OE1 3.22Å; K639-E660 WeakPolarHBondContact CE-OE2 3.27Å; K639-E660 HydrophobicContact CG-CG 4.34Å; K639-E660 IonicContact NZ-OE1 3.39Å; K639-E660 PolarHBondContact NZ-OE1 3.27Å; K639-E660 IonicContact NZ-OE2 3.67Å; K639-E660 PolarHBondContact NZ-OE2 3.1Å; K639-E660 PolarHBondContact O-N 2.98Å; K639-E660 VanDerWaalsContact O-N 3.07Å; V641-E660 HydrophobicContact CG2-CG 3.57Å; V658-E660 PolarHBondContact O-N 2.77Å; E660-V663 WeakPolarHBondContact O-CG2 3.37Å
661	E	73.5	Confident	81.1	Confident	187 Å²	187	37.4 Å²	37.4	87%	0.874	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-11.4	-177.1	-60	-179.3	176.5	0	0	114	P659	P659-E661 PolarHBondContact O-N 3.16Å
662	A	74.9	Confident	79.3	Confident	19 Å²	19	39.5 Å²	39.5	16%	0.157	23%	0.233	C	C	.	.			trans	-119.7	47	-169.9	0	0	0	0	0	113.9	A522 P659	A522-A662 WeakPolarHBondContact O-CB 3.01Å; P659-A662 HydrophobicContact CB-CB 4.26Å; P659-A662 HydrophobicContact CG-CB 3.8Å; P659-A662 PolarHBondContact O-N 3.46Å
663	V	79.8	Confident	77.4	Confident	28 Å²	28	41.4 Å²	41.4	17%	0.17	25%	0.249	C	C	.	.			trans	-87.7	-5.4	-177.3	-149	0	0	0	0	113.4	M74 F75 E660	M74-V663 WeakPolarHBondContact CA-O 3.29Å; M74-V663 HydrophobicContact CE-CG1 3.84Å; M74-V663 HydrophobicContact CG-CB 4.31Å; M74-V663 HydrophobicContact CG-CG1 3.88Å; F75-V663 WeakPolarHBondContact CD1-O 3.35Å; F75-V663 WeakPolarHBondContact CE1-O 3.43Å; F75-V663 PolarHBondContact N-O 3.44Å; F75-V663 VanDerWaalsContact N-O 3.1Å; E660-V663 WeakPolarHBondContact O-CG2 3.37Å
664	Y	85.4	Confident	75.6	Confident	68 Å²	68	44.5 Å²	44.5	27%	0.267	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139	-177.3	-64.1	-83.1	0	0	0	112	V72 E73 M74 H888	V72-Y664 HydrophobicContact CG1-CD1 3.95Å; V72-Y664 HydrophobicContact CG1-CG 4.22Å; E73-Y664 CarbonylContact O-C 3.56Å; E73-Y664 WeakPolarHBondContact O-CA 3.02Å; M74-Y664 HydrophobicContact CB-CD1 4.02Å; M74-Y664 HydrophobicContact CB-CE1 3.87Å; Y664-H888 HydrophobicContact CD1-CB 3.92Å; Y664-H888 HydrophobicContact CE1-CB 3.8Å; Y664-H888 AromaticContact CE1-CD2 3.59Å; Y664-H888 AromaticContact CE1-CG 3.56Å; Y664-H888 HydrophobicContact CG-CB 4.32Å; Y664-H888 AromaticContact CZ-CD2 3.27Å; Y664-H888 AromaticContact CZ-CG 3.75Å; Y664-H888 AromaticContact CZ-NE2 3.88Å; Y664-H888 PolarHBondContact OH-CD2 3.17Å; Y664-H888 PolarHBondContact OH-NE2 3.13Å
665	R	86.6	Confident	73.8	Confident	37 Å²	37	46.6 Å²	46.6	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	171	174.5	71.1	177.6	-173.1	-162.2	-5.6	110.8	V72 E73 F75 M519	V72-R665 WeakPolarHBondContact CA-O 2.74Å; E73-R665 HydrophobicContact CG-CG 3.92Å; E73-R665 PolarHBondContact N-O 3.35Å; E73-R665 PolarHBondContact O-N 3.16Å; E73-R665 IonicContact OE1-CZ 3.46Å; E73-R665 IonicContact OE1-NE 3.02Å; E73-R665 PolarHBondContact OE1-NE 3.12Å; E73-R665 IonicContact OE1-NH2 2.97Å; E73-R665 PolarHBondContact OE1-NH2 3.1Å; F75-R665 HydrophobicContact CB-CG 4.09Å; F75-R665 HydrophobicContact CD1-CB 4.42Å; F75-R665 HydrophobicContact CD1-CG 4.29Å; M519-R665 PolarHBondContact O-NH1 3.33Å
666	I	86.5	Confident	72.1	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.2	175.6	-69.6	177.4	0	0	0	109.5	Y65 V70 Y738 L745 A882 A890 A892	Y65-I666 HydrophobicContact CE1-CD1 4.46Å; V70-I666 HydrophobicContact CG1-CB 4.33Å; V70-I666 HydrophobicContact CG1-CD1 4.08Å; V70-I666 HydrophobicContact CG1-CG1 4.1Å; V70-I666 HydrophobicContact CG1-CG2 3.38Å; I666-Y738 PolarHBondContact O-OH 2.97Å; I666-L745 HydrophobicContact CG2-CD2 3.91Å; I666-A882 HydrophobicContact CD1-CB 3.99Å; I666-A882 HydrophobicContact CG1-CB 4.28Å; I666-A890 HydrophobicContact CG1-CB 4.06Å; I666-A892 HydrophobicContact CD1-CB 3.67Å
667	D	82.6	Confident	70.5	Confident	33 Å²	33	49.1 Å²	49.1	18%	0.176	30%	0.297	C	S	.	.			trans	-72.6	127.5	175.2	-175.6	7.9	0	0	0	109.7	H71 E73 S669	H71-D667 HydrophobicContact CB-CB 4.1Å; H71-D667 PolarHBondContact O-N 3.4Å; E73-D667 HydrophobicContact CB-CB 4.05Å; E73-D667 HydrophobicContact CG-CB 3.82Å; D667-S669 VanDerWaalsContact CG-OG 3.28Å; D667-S669 WeakPolarHBondContact OD1-CA 3.48Å; D667-S669 VanDerWaalsContact OD1-CB 3.24Å; D667-S669 WeakPolarHBondContact OD1-CB 3.4Å; D667-S669 PolarHBondContact OD1-N 3.38Å; D667-S669 PolarHBondContact OD1-OG 3.43Å; D667-S669 PolarHBondContact OD2-OG 2.8Å
668	T	74.7	Confident	69.1	Low	19 Å²	19	54.9 Å²	54.9	12%	0.117	33%	0.325	C	S	.	.			trans	-103.8	-7.1	175.5	59.1	0	0	0	0	112.4	N670 Y738 H741 R742	T668-N670 PolarHBondContact O-N 2.82Å; T668-N670 VanDerWaalsContact O-N 3.13Å; T668-Y738 HydrophobicContact CG2-CD2 4.2Å; T668-Y738 HydrophobicContact CG2-CE2 3.81Å; T668-Y738 VanDerWaalsContact OG1-CD2 3.3Å; T668-Y738 WeakPolarHBondContact OG1-CD2 3.35Å; T668-Y738 WeakPolarHBondContact OG1-CE2 3.41Å; T668-H741 HydrophobicContact CG2-CB 4.48Å; T668-R742 HydrophobicContact CG2-CB 3.95Å
669	S	64.7	Low	68	Low	60 Å²	60	59.4 Å²	59.4	42%	0.42	34%	0.341	S	S	.	.			trans	-75.1	99.6	178.8	75.2	0	0	0	0	109.4	D667 S671	D667-S669 VanDerWaalsContact CG-OG 3.28Å; D667-S669 WeakPolarHBondContact OD1-CA 3.48Å; D667-S669 VanDerWaalsContact OD1-CB 3.24Å; D667-S669 WeakPolarHBondContact OD1-CB 3.4Å; D667-S669 PolarHBondContact OD1-N 3.38Å; D667-S669 PolarHBondContact OD1-OG 3.43Å; D667-S669 PolarHBondContact OD2-OG 2.8Å; S669-S671 PolarHBondContact O-N 2.94Å
670	N	53.7	Low	67.4	Low	68 Å²	68	60.2 Å²	60.2	36%	0.364	35%	0.345	S	S	.	.			trans	-68.9	78	176.2	-94.9	-3.5	0	0	0	110.4	T668 G672 A673 S674 R679	T668-N670 PolarHBondContact O-N 2.82Å; T668-N670 VanDerWaalsContact O-N 3.13Å; N670-G672 PolarHBondContact O-N 3.22Å; N670-A673 HydrophobicContact CB-CB 4.5Å; N670-A673 WeakPolarHBondContact CB-O 3.16Å; N670-A673 PolarHBondContact ND2-O 3.08Å; N670-S674 PolarHBondContact ND2-O 3.12Å; N670-S674 VanDerWaalsContact ND2-O 3.14Å; N670-R679 PolarHBondContact ND2-NH2 3.44Å
671	S	42.3	Very low	67.5	Low	115 Å²	115	59.3 Å²	59.3	80%	0.804	34%	0.343	S	S	*	.	S	Bend	trans	-72.8	27.6	177.5	-60.7	0	0	0	0	113.5	S669	S669-S671 PolarHBondContact O-N 2.94Å
672	G	45.8	Very low	68	Low	81 Å²	81	53.9 Å²	53.9	84%	0.835	32%	0.317	S	S	*	.	S	Bend	trans	174.7	-8.5	-179.7	0	0	0	0	0	117.3	N670	N670-G672 PolarHBondContact O-N 3.22Å
673	A	52	Low	68.5	Low	47 Å²	47	58.3 Å²	58.3	39%	0.388	34%	0.337	S	S	.	.	S	Bend	trans	-113.4	148.9	-179.9	0	0	0	0	0	112.1	N670	N670-A673 HydrophobicContact CB-CB 4.5Å; N670-A673 WeakPolarHBondContact CB-O 3.16Å; N670-A673 PolarHBondContact ND2-O 3.08Å
674	S	54.6	Low	68.7	Low	67 Å²	67	58.3 Å²	58.3	47%	0.469	33%	0.334	S	S	.	.			trans	-48.2	130.2	173	-60.8	0	0	0	0	109.8	N670 R679	N670-S674 PolarHBondContact ND2-O 3.12Å; N670-S674 VanDerWaalsContact ND2-O 3.14Å; S674-R679 PolarHBondContact O-NE 3.49Å; S674-R679 PolarHBondContact O-NH2 2.88Å
675	P	56.6	Low	68.6	Low	45 Å²	45	55.8 Å²	55.8	29%	0.292	33%	0.325	S	S	.	.			trans	-59.3	145.1	-171.8	22.9	-33.9	0	0	0	110.5	H677 Q678	P675-H677 WeakPolarHBondContact CB-CE1 3.49Å; P675-H677 WeakPolarHBondContact CB-ND1 3.38Å; P675-H677 WeakPolarHBondContact CG-CE1 3.38Å; P675-H677 PolarHBondContact O-N 3.33Å; P675-Q678 HydrophobicContact CG-CG 4.09Å; P675-Q678 WeakPolarHBondContact O-CB 3.22Å; P675-Q678 PolarHBondContact O-N 3.39Å
676	P	56.9	Low	68.4	Low	12 Å²	12	63.3 Å²	63.3	8%	0.078	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-54.4	-33.7	-163.3	-25.4	32.7	0	0	0	113.5	Q678 R679 I680 L744	P676-Q678 PolarHBondContact O-N 3.32Å; P676-Q678 VanDerWaalsContact O-N 3.15Å; P676-R679 PolarHBondContact O-N 3.25Å; P676-I680 PolarHBondContact O-N 2.99Å; P676-L744 HydrophobicContact CB-CB 4.08Å; P676-L744 HydrophobicContact CB-CD1 4.19Å
677	H	59.6	Low	68.1	Low	42 Å²	42	65.3 Å²	65.3	19%	0.194	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-60.9	-21.7	178.3	68.2	-87.2	0	0	0	115	P675 I680 Y729	P675-H677 WeakPolarHBondContact CB-CE1 3.49Å; P675-H677 WeakPolarHBondContact CB-ND1 3.38Å; P675-H677 WeakPolarHBondContact CG-CE1 3.38Å; P675-H677 PolarHBondContact O-N 3.33Å; H677-I680 HydrophobicContact CB-CD1 4.19Å; H677-Y729 WeakPolarHBondContact CB-OH 3.42Å; H677-Y729 AromaticContact CE1-CE2 3.7Å; H677-Y729 AromaticContact ND1-CE2 3.58Å; H677-Y729 AromaticContact ND1-CZ 3.72Å; H677-Y729 PolarHBondContact ND1-OH 3.46Å
678	Q	61.6	Low	68.1	Low	122 Å²	122	72.7 Å²	72.7	57%	0.57	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-82.7	-17.8	176.3	-64.8	-179.4	-3.4	0	0	112.7	P675 P676	P675-Q678 HydrophobicContact CG-CG 4.09Å; P675-Q678 WeakPolarHBondContact O-CB 3.22Å; P675-Q678 PolarHBondContact O-N 3.39Å; P676-Q678 PolarHBondContact O-N 3.32Å; P676-Q678 VanDerWaalsContact O-N 3.15Å
679	R	66.6	Low	68.8	Low	98 Å²	98	73.8 Å²	73.8	37%	0.37	41%	0.41	S	S	.	.	S	Bend	trans	-104.8	8	-177.7	-70.4	-172.6	-80.3	147.9	-12.4	113.5	N670 S674 P676 N681 W684 E748	N670-R679 PolarHBondContact ND2-NH2 3.44Å; S674-R679 PolarHBondContact O-NE 3.49Å; S674-R679 PolarHBondContact O-NH2 2.88Å; P676-R679 PolarHBondContact O-N 3.25Å; R679-N681 PolarHBondContact O-N 3.42Å; R679-N681 VanDerWaalsContact O-N 3.09Å; R679-W684 WeakPolarHBondContact O-CH2 3.31Å; R679-E748 IonicContact NH1-OE1 2.72Å; R679-E748 PolarHBondContact NH1-OE1 2.03Å; R679-E748 IonicContact NH1-OE2 2.78Å
680	I	75.8	Confident	70	Confident	25 Å²	25	71.6 Å²	71.6	13%	0.128	39%	0.393	C	S	.	.			trans	-61.6	118.1	-174.9	-65.9	169.3	0	0	0	110.4	P676 H677 F682 F685 M718 C722 L744	P676-I680 PolarHBondContact O-N 2.99Å; H677-I680 HydrophobicContact CB-CD1 4.19Å; I680-F682 HydrophobicContact CG2-CD1 4.49Å; I680-F682 HydrophobicContact CG2-CE1 4.32Å; I680-F682 HydrophobicContact CG2-CZ 4.34Å; I680-F685 HydrophobicContact CG2-CE2 3.79Å; I680-F685 HydrophobicContact CG2-CZ 4.25Å; I680-M718 HydrophobicContact CD1-CE 3.28Å; I680-C722 WeakPolarHBondContact CD1-SG 3.3Å; I680-L744 HydrophobicContact CD1-CD1 3.98Å; I680-L744 HydrophobicContact CD1-CD2 4.02Å; I680-L744 HydrophobicContact CG1-CD1 4.32Å; I680-L744 HydrophobicContact CG1-CD2 4.05Å
681	N	82.9	Confident	71.8	Confident	69 Å²	69	71.5 Å²	71.5	37%	0.369	39%	0.389	S	S	.	.			trans	-99.4	114.9	167.3	-170.7	-21.7	0	0	0	109.2	R679 N683 W684	R679-N681 PolarHBondContact O-N 3.42Å; R679-N681 VanDerWaalsContact O-N 3.09Å; N681-N683 PolarHBondContact O-N 3.23Å; N681-N683 WeakPolarHBondContact OD1-CB 3.33Å; N681-N683 VanDerWaalsContact OD1-CG 3.28Å; N681-N683 PolarHBondContact OD1-N 3.22Å; N681-N683 PolarHBondContact OD1-ND2 2.74Å; N681-W684 HydrophobicContact CB-CD2 3.88Å; N681-W684 VanDerWaalsContact CB-CE2 3.48Å; N681-W684 HydrophobicContact CB-CG 4.18Å; N681-W684 HydrophobicContact CB-CZ2 3.83Å; N681-W684 WeakPolarHBondContact O-CB 3.43Å; N681-W684 PolarHBondContact O-N 2.91Å
682	F	84.5	Confident	74.1	Confident	73 Å²	73	66.2 Å²	66.2	32%	0.32	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-64.7	-11.5	179.8	-71.1	-76	0	0	0	113.8	I680 W684 F685 M718 R719	I680-F682 HydrophobicContact CG2-CD1 4.49Å; I680-F682 HydrophobicContact CG2-CE1 4.32Å; I680-F682 HydrophobicContact CG2-CZ 4.34Å; F682-W684 PolarHBondContact O-N 3.41Å; F682-F685 HydrophobicContact CB-CD2 4.49Å; F682-F685 AromaticContact CD1-CD2 3.89Å; F682-F685 HydrophobicContact CD1-CD2 3.89Å; F682-F685 AromaticContact CD1-CE2 3.96Å; F682-F685 HydrophobicContact CD1-CE2 3.96Å; F682-F685 HydrophobicContact CE1-CE2 4.4Å; F682-F685 PolarHBondContact O-N 3.08Å; F682-M718 HydrophobicContact CE1-CB 4.36Å; F682-R719 HydrophobicContact CD1-CG 3.91Å; F682-R719 HydrophobicContact CE1-CB 4.32Å; F682-R719 HydrophobicContact CE1-CG 3.34Å; F682-R719 HydrophobicContact CZ-CB 4.41Å; F682-R719 HydrophobicContact CZ-CG 3.73Å
683	N	84.9	Confident	76.2	Confident	111 Å²	111	62.3 Å²	62.3	59%	0.594	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66	-23.9	170.6	-65.5	-21.9	0	0	0	112.6	N681 F685 R686	N681-N683 PolarHBondContact O-N 3.23Å; N681-N683 WeakPolarHBondContact OD1-CB 3.33Å; N681-N683 VanDerWaalsContact OD1-CG 3.28Å; N681-N683 PolarHBondContact OD1-N 3.22Å; N681-N683 PolarHBondContact OD1-ND2 2.74Å; N683-F685 PolarHBondContact O-N 3.28Å; N683-R686 VanDerWaalsContact O-CB 3.24Å; N683-R686 WeakPolarHBondContact O-CB 3.16Å; N683-R686 PolarHBondContact O-N 2.96Å; N683-R686 VanDerWaalsContact O-N 3.11Å
684	W	84.7	Confident	77.6	Confident	28 Å²	28	62.3 Å²	62.3	11%	0.106	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-62.8	-24.7	176.5	-56.8	-24.1	0	0	0	113.1	R679 N681 F682 M747 E748 R782	R679-W684 WeakPolarHBondContact O-CH2 3.31Å; N681-W684 HydrophobicContact CB-CD2 3.88Å; N681-W684 VanDerWaalsContact CB-CE2 3.48Å; N681-W684 HydrophobicContact CB-CG 4.18Å; N681-W684 HydrophobicContact CB-CZ2 3.83Å; N681-W684 WeakPolarHBondContact O-CB 3.43Å; N681-W684 PolarHBondContact O-N 2.91Å; F682-W684 PolarHBondContact O-N 3.41Å; W684-M747 HydrophobicContact CE3-CB 4.44Å; W684-E748 HydrophobicContact CE3-CB 4.45Å; W684-E748 HydrophobicContact CH2-CB 3.71Å; W684-E748 HydrophobicContact CH2-CG 3.75Å; W684-E748 HydrophobicContact CZ2-CB 3.88Å; W684-E748 HydrophobicContact CZ2-CG 3.62Å; W684-E748 HydrophobicContact CZ3-CB 4.01Å; W684-R782 PolarHBondContact O-NH1 3.24Å; W684-R782 PolarHBondContact O-NH2 3.3Å
685	F	83.5	Confident	78.7	Confident	15 Å²	15	62.9 Å²	62.9	7%	0.066	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-96.6	8.1	179.3	-46.2	-65.3	0	0	0	113	I680 F682 N683 W690 F714 V715 L744 M747	I680-F685 HydrophobicContact CG2-CE2 3.79Å; I680-F685 HydrophobicContact CG2-CZ 4.25Å; F682-F685 HydrophobicContact CB-CD2 4.49Å; F682-F685 AromaticContact CD1-CD2 3.89Å; F682-F685 HydrophobicContact CD1-CD2 3.89Å; F682-F685 AromaticContact CD1-CE2 3.96Å; F682-F685 HydrophobicContact CD1-CE2 3.96Å; F682-F685 HydrophobicContact CE1-CE2 4.4Å; F682-F685 PolarHBondContact O-N 3.08Å; N683-F685 PolarHBondContact O-N 3.28Å; F685-W690 HydrophobicContact CB-CZ2 4.03Å; F685-W690 HydrophobicContact CD1-CH2 4.33Å; F685-W690 HydrophobicContact CD1-CZ2 4.35Å; F685-W690 PolarHBondContact O-NE1 2.91Å; F685-F714 HydrophobicContact CE1-CD1 4.44Å; F685-F714 AromaticContact CE1-CE1 3.8Å; F685-F714 HydrophobicContact CE1-CE1 3.8Å; F685-F714 HydrophobicContact CZ-CE1 4.2Å; F685-V715 HydrophobicContact CB-CG2 3.9Å; F685-V715 HydrophobicContact CD1-CG2 4.46Å; F685-V715 HydrophobicContact CG-CG2 4.08Å; F685-L744 HydrophobicContact CZ-CD2 4.28Å; F685-M747 HydrophobicContact CD1-CE 4.06Å; F685-M747 HydrophobicContact CD1-SD 4.07Å; F685-M747 HydrophobicContact CE1-CB 4.5Å; F685-M747 HydrophobicContact CE1-CE 4.06Å; F685-M747 HydrophobicContact CE1-CG 4Å; F685-M747 HydrophobicContact CE1-SD 4.02Å
686	R	81.1	Confident	80	Confident	196 Å²	196	61.8 Å²	61.8	74%	0.74	30%	0.296	S	S	*	.			trans	-70	142.8	-178.8	-169.7	176.2	-178.9	176.8	-0.4	110.2	N683	N683-R686 VanDerWaalsContact O-CB 3.24Å; N683-R686 WeakPolarHBondContact O-CB 3.16Å; N683-R686 PolarHBondContact O-N 2.96Å; N683-R686 VanDerWaalsContact O-N 3.11Å
687	G	80.2	Confident	81	Confident	45 Å²	45	63.8 Å²	63.8	46%	0.464	30%	0.304	S	S	.	.	S	Bend	trans	89.3	176.3	177.6	0	0	0	0	0	113.5	W690	G687-W690 PolarHBondContact O-NE1 2.85Å
688	K	84.2	Confident	81.9	Confident	189 Å²	189	62.1 Å²	62.1	82%	0.822	30%	0.296	S	S	*	.	S	Bend	trans	-108.1	3	178.4	-64.2	-174.1	176.2	-173.9	0	112.8	W690	K688-W690 PolarHBondContact O-N 3.41Å; K688-W690 VanDerWaalsContact O-N 3.07Å
689	N	87.9	Confident	82.5	Confident	42 Å²	42	56.8 Å²	56.8	23%	0.225	27%	0.272	C	S	.	.	S	Bend	trans	-84.1	31.1	-172	-75.8	-8.2	0	0	0	112.8	E754 R782 F783	N689-E754 PolarHBondContact ND2-OE1 3.32Å; N689-R782 WeakPolarHBondContact O-CA 3.43Å; N689-F783 VanDerWaalsContact CB-O 3.28Å; N689-F783 WeakPolarHBondContact CB-O 2.94Å; N689-F783 PolarHBondContact O-N 2.94Å
690	W	90.8	Very high	82.6	Confident	13 Å²	13	55 Å²	55	5%	0.049	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151	177.6	66.7	-82.9	0	0	0	111.3	F685 G687 K688 L692 E711 V715 M747 L780 T781 R782	F685-W690 HydrophobicContact CB-CZ2 4.03Å; F685-W690 HydrophobicContact CD1-CH2 4.33Å; F685-W690 HydrophobicContact CD1-CZ2 4.35Å; F685-W690 PolarHBondContact O-NE1 2.91Å; G687-W690 PolarHBondContact O-NE1 2.85Å; K688-W690 PolarHBondContact O-N 3.41Å; K688-W690 VanDerWaalsContact O-N 3.07Å; W690-L692 HydrophobicContact CE3-CD2 4.43Å; W690-L692 HydrophobicContact CE3-CG 4.32Å; W690-L692 HydrophobicContact CZ3-CD1 4.04Å; W690-L692 HydrophobicContact CZ3-CD2 4.08Å; W690-L692 HydrophobicContact CZ3-CG 3.78Å; W690-E711 HydrophobicContact CE3-CB 4.42Å; W690-E711 HydrophobicContact CE3-CG 3.92Å; W690-E711 HydrophobicContact CH2-CB 3.54Å; W690-E711 HydrophobicContact CH2-CG 3.95Å; W690-E711 HydrophobicContact CZ2-CB 3.99Å; W690-E711 HydrophobicContact CZ2-CG 4.49Å; W690-E711 HydrophobicContact CZ3-CB 3.79Å; W690-E711 HydrophobicContact CZ3-CG 3.64Å; W690-V715 HydrophobicContact CH2-CG2 4.02Å; W690-V715 HydrophobicContact CZ2-CG2 3.97Å; W690-M747 HydrophobicContact CD2-CE 4.32Å; W690-M747 HydrophobicContact CE3-CE 3.61Å; W690-M747 HydrophobicContact CH2-CE 4.26Å; W690-M747 HydrophobicContact CZ3-CE 3.56Å; W690-L780 HydrophobicContact CB-CD1 4.24Å; W690-L780 HydrophobicContact CE3-CD1 4.08Å; W690-T781 CarbonylContact C-O 3.52Å; W690-T781 WeakPolarHBondContact CA-O 3.46Å; W690-R782 HydrophobicContact CB-CG 4.03Å
691	K	91.4	Very high	82.2	Confident	67 Å²	67	55.2 Å²	55.2	29%	0.291	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.9	-179.3	-68.8	-64	-178.1	177.2	0	110.8	E711 T781 F783 A821	K691-E711 WeakPolarHBondContact CA-OE1 3.29Å; K691-E711 WeakPolarHBondContact CD-OE1 3.34Å; K691-T781 PolarHBondContact N-O 3.1Å; K691-T781 PolarHBondContact O-N 2.95Å; K691-F783 HydrophobicContact CG-CE1 4.2Å; K691-A821 HydrophobicContact CG-CB 4.22Å
692	L	90.5	Very high	81.6	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	27%	0.27	C	S	.	.			trans	-108.4	160.5	172	-65.3	177.5	0	0	0	110.9	W690 Y698 E711 F714 L743 M747 G779 L780	W690-L692 HydrophobicContact CE3-CD2 4.43Å; W690-L692 HydrophobicContact CE3-CG 4.32Å; W690-L692 HydrophobicContact CZ3-CD1 4.04Å; W690-L692 HydrophobicContact CZ3-CD2 4.08Å; W690-L692 HydrophobicContact CZ3-CG 3.78Å; L692-Y698 HydrophobicContact CB-CD2 4.24Å; L692-Y698 HydrophobicContact CB-CE2 3.75Å; L692-Y698 HydrophobicContact CD1-CD2 3.98Å; L692-Y698 HydrophobicContact CD1-CE2 4.24Å; L692-Y698 HydrophobicContact CD1-CG 4.26Å; L692-Y698 HydrophobicContact CD2-CE2 4.46Å; L692-Y698 HydrophobicContact CG-CE2 4.37Å; L692-E711 HydrophobicContact CG-CG 4.31Å; L692-E711 PolarHBondContact N-OE1 3.41Å; L692-E711 VanDerWaalsContact N-OE1 3.08Å; L692-F714 HydrophobicContact CD1-CB 3.95Å; L692-F714 HydrophobicContact CD1-CD1 4.36Å; L692-F714 HydrophobicContact CD1-CG 4.08Å; L692-L743 HydrophobicContact CD1-CD2 4.48Å; L692-L743 HydrophobicContact CD2-CD1 3.72Å; L692-L743 HydrophobicContact CD2-CD2 3.87Å; L692-L743 HydrophobicContact CD2-CG 4.46Å; L692-M747 HydrophobicContact CD2-CE 4.28Å; L692-G779 CarbonylContact C-O 3.52Å; L692-L780 HydrophobicContact CD2-CD1 4.4Å
693	H	89.6	Confident	81	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.			trans	-56.5	123.6	176.1	-166.7	-67.9	0	0	0	110.7	D695 W696 Y698 G779 R826 D829	H693-D695 VanDerWaalsContact C-N 3.27Å; H693-D695 IonicContact CE1-OD2 3.64Å; H693-D695 PolarHBondContact CE1-OD2 3.12Å; H693-D695 PolarHBondContact ND1-N 2.79Å; H693-D695 PolarHBondContact O-N 2.62Å; H693-W696 HydrophobicContact CB-CB 4.11Å; H693-W696 HydrophobicContact CB-CD2 3.82Å; H693-W696 HydrophobicContact CB-CE3 4.03Å; H693-W696 HydrophobicContact CB-CG 3.88Å; H693-W696 AromaticContact CD2-CD2 3.93Å; H693-W696 AromaticContact CD2-CE2 3.54Å; H693-W696 AromaticContact CD2-CZ2 3.79Å; H693-W696 AromaticContact CD2-NE1 3.68Å; H693-W696 AromaticContact CE1-CD1 3.55Å; H693-W696 AromaticContact CE1-NE1 3.37Å; H693-W696 PolarHBondContact CE1-NE1 3.21Å; H693-W696 AromaticContact CG-CD1 3.72Å; H693-W696 AromaticContact CG-CD2 3.64Å; H693-W696 AromaticContact CG-CE2 3.7Å; H693-W696 AromaticContact CG-CG 3.65Å; H693-W696 AromaticContact CG-NE1 3.71Å; H693-W696 AromaticContact ND1-CD1 3.27Å; H693-W696 VanDerWaalsContact ND1-CD1 3.27Å; H693-W696 AromaticContact ND1-CE2 3.98Å; H693-W696 AromaticContact ND1-CG 3.59Å; H693-W696 AromaticContact ND1-NE1 3.49Å; H693-W696 PolarHBondContact ND1-NE1 3.16Å; H693-W696 AromaticContact NE2-CE2 3.79Å; H693-W696 AromaticContact NE2-NE1 3.49Å; H693-W696 PolarHBondContact NE2-NE1 3Å; H693-W696 PolarHBondContact O-N 3.29Å; H693-Y698 HydrophobicContact CB-CE2 4.29Å; H693-Y698 WeakPolarHBondContact CB-OH 3.34Å; H693-Y698 PolarHBondContact N-OH 2.93Å; H693-G779 PolarHBondContact N-O 3.44Å; H693-G779 VanDerWaalsContact N-O 3.1Å; H693-R826 PolarHBondContact CD2-O 3.07Å; H693-R826 VanDerWaalsContact NE2-CB 3.32Å; H693-R826 WeakPolarHBondContact NE2-CB 3.36Å; H693-R826 PolarHBondContact NE2-O 3.36Å; H693-D829 IonicContact CE1-OD2 3.49Å; H693-D829 IonicContact NE2-OD2 3Å; H693-D829 PolarHBondContact NE2-OD2 3.46Å
694	P	82.4	Confident	80.4	Confident	47 Å²	47	53 Å²	53	31%	0.305	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.3	-171.5	28.3	-37.1	0	0	0	113.2	K710 P825 R826	P694-K710 WeakPolarHBondContact O-CE 3.44Å; P694-K710 PolarHBondContact O-NZ 3.19Å; P694-P825 WeakPolarHBondContact CD-O 3.17Å; P694-P825 HydrophobicContact CG-CB 4.11Å; P694-P825 HydrophobicContact CG-CG 3.93Å; P694-R826 HydrophobicContact CG-CG 3.55Å
695	D	77.9	Confident	79.9	Confident	79 Å²	79	53.7 Å²	53.7	42%	0.422	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-13.1	-177.7	-49.5	-40	0	0	0	113.9	Q513 H693 R826	Q513-D695 PolarHBondContact NE2-O 3.39Å; H693-D695 VanDerWaalsContact C-N 3.27Å; H693-D695 IonicContact CE1-OD2 3.64Å; H693-D695 PolarHBondContact CE1-OD2 3.12Å; H693-D695 PolarHBondContact ND1-N 2.79Å; H693-D695 PolarHBondContact O-N 2.62Å; D695-R826 WeakPolarHBondContact OD2-CD 3.49Å
696	W	82.3	Confident	79.5	Confident	21 Å²	21	56.8 Å²	56.8	8%	0.08	29%	0.291	C	S	.	.	S	Bend	trans	-90.6	150.2	-176.2	-61	-0.5	0	0	0	111.4	Y518 H693 Y698 K710 L739 S778	Y518-W696 AromaticContact CD1-CD2 3.85Å; Y518-W696 HydrophobicContact CD1-CD2 3.85Å; Y518-W696 AromaticContact CD1-CE3 3.63Å; Y518-W696 HydrophobicContact CD1-CE3 3.63Å; Y518-W696 HydrophobicContact CD1-CH2 4.04Å; Y518-W696 HydrophobicContact CD1-CZ2 4.21Å; Y518-W696 AromaticContact CD1-CZ3 3.72Å; Y518-W696 HydrophobicContact CD1-CZ3 3.72Å; Y518-W696 HydrophobicContact CE1-CD2 4.39Å; Y518-W696 HydrophobicContact CE1-CE3 4.35Å; Y518-W696 HydrophobicContact CG-CE3 4.37Å; Y518-W696 HydrophobicContact CG-CH2 4.3Å; Y518-W696 HydrophobicContact CG-CZ3 4.04Å; H693-W696 HydrophobicContact CB-CB 4.11Å; H693-W696 HydrophobicContact CB-CD2 3.82Å; H693-W696 HydrophobicContact CB-CE3 4.03Å; H693-W696 HydrophobicContact CB-CG 3.88Å; H693-W696 AromaticContact CD2-CD2 3.93Å; H693-W696 AromaticContact CD2-CE2 3.54Å; H693-W696 AromaticContact CD2-CZ2 3.79Å; H693-W696 AromaticContact CD2-NE1 3.68Å; H693-W696 AromaticContact CE1-CD1 3.55Å; H693-W696 AromaticContact CE1-NE1 3.37Å; H693-W696 PolarHBondContact CE1-NE1 3.21Å; H693-W696 AromaticContact CG-CD1 3.72Å; H693-W696 AromaticContact CG-CD2 3.64Å; H693-W696 AromaticContact CG-CE2 3.7Å; H693-W696 AromaticContact CG-CG 3.65Å; H693-W696 AromaticContact CG-NE1 3.71Å; H693-W696 AromaticContact ND1-CD1 3.27Å; H693-W696 VanDerWaalsContact ND1-CD1 3.27Å; H693-W696 AromaticContact ND1-CE2 3.98Å; H693-W696 AromaticContact ND1-CG 3.59Å; H693-W696 AromaticContact ND1-NE1 3.49Å; H693-W696 PolarHBondContact ND1-NE1 3.16Å; H693-W696 AromaticContact NE2-CE2 3.79Å; H693-W696 AromaticContact NE2-NE1 3.49Å; H693-W696 PolarHBondContact NE2-NE1 3Å; H693-W696 PolarHBondContact O-N 3.29Å; W696-Y698 HydrophobicContact CB-CE2 3.95Å; W696-K710 PolarHBondContact O-NZ 3.07Å; W696-L739 HydrophobicContact CB-CD2 4.42Å; W696-L739 HydrophobicContact CE3-CD1 3.74Å; W696-L739 HydrophobicContact CE3-CD2 4.28Å; W696-L739 HydrophobicContact CZ3-CD1 3.89Å; W696-S778 WeakPolarHBondContact CZ3-O 3.45Å
697	H	78.1	Confident	79.1	Confident	55 Å²	55	51.3 Å²	51.3	26%	0.255	30%	0.296	S	S	.	.			trans	-101.9	108	177.4	-68.4	-106.3	0	0	0	110.3	Q513 F736	Q513-H697 PolarHBondContact NE2-CD2 2.86Å; Q513-H697 PolarHBondContact NE2-NE2 2.82Å; Q513-H697 PolarHBondContact OE1-CD2 2.77Å; H697-F736 HydrophobicContact CB-CE1 4.32Å; H697-F736 HydrophobicContact CB-CZ 4.2Å
698	Y	79.7	Confident	79	Confident	6 Å²	6	52.2 Å²	52.2	2%	0.024	29%	0.289	C	S	.	.	S	Bend	trans	-92.1	-17.2	174.7	-61	-88.3	0	0	0	112.7	L692 H693 W696 L739 I740 L743 S778	L692-Y698 HydrophobicContact CB-CD2 4.24Å; L692-Y698 HydrophobicContact CB-CE2 3.75Å; L692-Y698 HydrophobicContact CD1-CD2 3.98Å; L692-Y698 HydrophobicContact CD1-CE2 4.24Å; L692-Y698 HydrophobicContact CD1-CG 4.26Å; L692-Y698 HydrophobicContact CD2-CE2 4.46Å; L692-Y698 HydrophobicContact CG-CE2 4.37Å; H693-Y698 HydrophobicContact CB-CE2 4.29Å; H693-Y698 WeakPolarHBondContact CB-OH 3.34Å; H693-Y698 PolarHBondContact N-OH 2.93Å; W696-Y698 HydrophobicContact CB-CE2 3.95Å; Y698-L739 HydrophobicContact CD1-CD1 4.38Å; Y698-L739 HydrophobicContact CD1-CD2 3.72Å; Y698-L739 HydrophobicContact CD1-CG 3.81Å; Y698-L739 HydrophobicContact CE1-CD1 3.74Å; Y698-L739 HydrophobicContact CE1-CD2 3.71Å; Y698-L739 HydrophobicContact CE1-CG 3.69Å; Y698-L739 HydrophobicContact CG-CD2 4.36Å; Y698-I740 WeakPolarHBondContact O-CD1 3.27Å; Y698-L743 HydrophobicContact CD1-CD2 3.47Å; Y698-L743 VanDerWaalsContact CD1-CD2 3.47Å; Y698-L743 HydrophobicContact CE1-CB 4.47Å; Y698-L743 HydrophobicContact CE1-CD1 4.47Å; Y698-L743 HydrophobicContact CE1-CD2 3.71Å; Y698-L743 HydrophobicContact CE1-CG 4.44Å; Y698-L743 HydrophobicContact CG-CD2 4.26Å; Y698-S778 WeakPolarHBondContact CE1-O 3.17Å; Y698-S778 PolarHBondContact OH-O 2.84Å
699	C	74.7	Confident	78.9	Confident	11 Å²	11	46 Å²	46	7%	0.074	27%	0.266	C	S	.	.	S	Bend	trans	-150.7	165.8	-179.5	60	0	0	0	0	110.4	Y717	C699-Y717 HydrophobicContact CB-CD1 3.89Å; C699-Y717 HydrophobicContact CB-CD2 3.87Å; C699-Y717 HydrophobicContact CB-CG 3.51Å
700	R	67.2	Low	78.6	Confident	60 Å²	60	46.9 Å²	46.9	23%	0.226	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-87.2	123.9	173.1	-67.2	-178.1	174.9	-173	5.8	109	F226 Y731 L732	F226-R700 HydrophobicContact CD1-CB 4.24Å; F226-R700 HydrophobicContact CD1-CG 4.12Å; F226-R700 HydrophobicContact CE1-CB 4.3Å; F226-R700 HydrophobicContact CE1-CG 4.29Å; R700-Y731 WeakPolarHBondContact CD-O 3.43Å; R700-Y731 PolarHBondContact NE-O 2.99Å; R700-Y731 PolarHBondContact NH1-O 2.81Å; R700-Y731 PolarHBondContact NH2-O 3.02Å; R700-L732 PolarHBondContact NE-O 3.42Å; R700-L732 VanDerWaalsContact NE-O 3.13Å; R700-L732 PolarHBondContact NH2-O 2.49Å
701	L	67.5	Low	78.4	Confident	30 Å²	30	47.3 Å²	47.3	16%	0.157	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-95.7	138.6	173.2	-61.9	176.3	0	0	0	109.4	P176 D705 A713	P176-L701 HydrophobicContact CB-CD1 4.16Å; L701-D705 HydrophobicContact CD2-CB 4.45Å; L701-A713 HydrophobicContact CD2-CB 3.53Å
702	N	71.4	Confident	78.2	Confident	80 Å²	80	49 Å²	49	43%	0.428	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-83.2	157.6	169.7	-67.2	-28.8	0	0	0	110.2	S704 D705	N702-S704 PolarHBondContact O-N 2.77Å; N702-D705 PolarHBondContact N-OD2 2.95Å; N702-D705 PolarHBondContact O-N 3.06Å
703	D	70.8	Confident	77.8	Confident	39 Å²	39	49.1 Å²	49.1	21%	0.209	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.9	175.9	-79	-24.4	0	0	0	113	N175 N177 R221	N175-D703 VanDerWaalsContact ND2-CG 3.28Å; N175-D703 PolarHBondContact ND2-OD1 3.2Å; N175-D703 PolarHBondContact OD1-OD1 3.4Å; N177-D703 PolarHBondContact ND2-OD1 3.04Å; R221-D703 IonicContact NE-OD2 3.18Å; R221-D703 IonicContact NH2-OD1 3.93Å; R221-D703 PolarHBondContact NH2-OD1 3.44Å; R221-D703 IonicContact NH2-OD2 3.02Å; R221-D703 PolarHBondContact NH2-OD2 2.83Å
704	S	73.2	Confident	77.6	Confident	86 Å²	86	49.1 Å²	49.1	60%	0.601	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.8	179.2	56.4	0	0	0	0	115.4	N702 T706	N702-S704 PolarHBondContact O-N 2.77Å; S704-T706 PolarHBondContact O-N 2.91Å
705	D	73.7	Confident	77.7	Confident	44 Å²	44	47.7 Å²	47.7	24%	0.235	27%	0.271	C	S	.	.			trans	-80.9	54.9	-169.7	-62.3	-22.9	0	0	0	111.9	L701 N702	L701-D705 HydrophobicContact CD2-CB 4.45Å; N702-D705 PolarHBondContact N-OD2 2.95Å; N702-D705 PolarHBondContact O-N 3.06Å
706	T	74.4	Confident	77.9	Confident	79 Å²	79	47 Å²	47	49%	0.485	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	142.4	-177.2	62.2	0	0	0	0	111.9	P174 S704 M708	P174-T706 WeakPolarHBondContact O-CG2 3.06Å; S704-T706 PolarHBondContact O-N 2.91Å; T706-M708 PolarHBondContact O-N 2.81Å
707	G	74.4	Confident	77.6	Confident	82 Å²	82	46.5 Å²	46.5	85%	0.845	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	2	173.9	0	0	0	0	0	116.4
708	M	78	Confident	77.6	Confident	64 Å²	64	43.9 Å²	43.9	32%	0.315	25%	0.253	S	S	.	.			trans	-83.8	139	176.9	170.4	179	-66.9	0	0	111.4	T706 E712 A713 I716	T706-M708 PolarHBondContact O-N 2.81Å; M708-E712 HydrophobicContact CG-CB 3.87Å; M708-A713 HydrophobicContact CG-CB 3.89Å; M708-A713 WeakPolarHBondContact SD-CA 3.06Å; M708-A713 HydrophobicContact SD-CB 3.34Å; M708-A713 WeakPolarHBondContact SD-CB 3.45Å; M708-I716 HydrophobicContact CE-CD1 3.34Å; M708-I716 HydrophobicContact SD-CD1 4.22Å
709	T	81.7	Confident	77.6	Confident	57 Å²	57	50 Å²	50	35%	0.35	28%	0.276	S	S	.	.			trans	-77	154.6	171.2	87.8	0	0	0	0	111.2	E711 E712 A713	T709-E711 VanDerWaalsContact CB-OE2 3.23Å; T709-E711 WeakPolarHBondContact CB-OE2 2.91Å; T709-E711 PolarHBondContact O-N 2.81Å; T709-E711 PolarHBondContact OG1-N 2.77Å; T709-E711 PolarHBondContact OG1-OE2 2.76Å; T709-E712 PolarHBondContact N-OE2 3.19Å; T709-E712 VanDerWaalsContact N-OE2 3.12Å; T709-E712 WeakPolarHBondContact O-CB 3.31Å; T709-E712 PolarHBondContact O-N 3.48Å; T709-E712 VanDerWaalsContact O-N 3.07Å; T709-E712 PolarHBondContact OG1-N 2.97Å; T709-A713 PolarHBondContact O-N 3.41Å
710	K	81	Confident	77.5	Confident	61 Å²	61	55 Å²	55	27%	0.265	30%	0.299	S	S	.	.	H	α-helix	trans	-57.5	-34	178.2	-74.3	-163.7	165.8	-162.6	0	112.9	P694 W696 F714	P694-K710 WeakPolarHBondContact O-CE 3.44Å; P694-K710 PolarHBondContact O-NZ 3.19Å; W696-K710 PolarHBondContact O-NZ 3.07Å; K710-F714 WeakPolarHBondContact O-CB 3.35Å; K710-F714 PolarHBondContact O-N 3.32Å
711	E	87.7	Confident	77.4	Confident	22 Å²	22	53.7 Å²	53.7	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-44.9	175.7	-59.2	79.2	-168.7	0	0	111.7	W690 K691 L692 T709 F714 V715	W690-E711 HydrophobicContact CE3-CB 4.42Å; W690-E711 HydrophobicContact CE3-CG 3.92Å; W690-E711 HydrophobicContact CH2-CB 3.54Å; W690-E711 HydrophobicContact CH2-CG 3.95Å; W690-E711 HydrophobicContact CZ2-CB 3.99Å; W690-E711 HydrophobicContact CZ2-CG 4.49Å; W690-E711 HydrophobicContact CZ3-CB 3.79Å; W690-E711 HydrophobicContact CZ3-CG 3.64Å; K691-E711 WeakPolarHBondContact CA-OE1 3.29Å; K691-E711 WeakPolarHBondContact CD-OE1 3.34Å; L692-E711 HydrophobicContact CG-CG 4.31Å; L692-E711 PolarHBondContact N-OE1 3.41Å; L692-E711 VanDerWaalsContact N-OE1 3.08Å; T709-E711 VanDerWaalsContact CB-OE2 3.23Å; T709-E711 WeakPolarHBondContact CB-OE2 2.91Å; T709-E711 PolarHBondContact O-N 2.81Å; T709-E711 PolarHBondContact OG1-N 2.77Å; T709-E711 PolarHBondContact OG1-OE2 2.76Å; E711-F714 PolarHBondContact O-N 3.07Å; E711-V715 WeakPolarHBondContact O-CG2 3Å; E711-V715 PolarHBondContact O-N 2.94Å
712	E	86.1	Confident	77.2	Confident	103 Å²	103	53.5 Å²	53.5	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-46.1	176.1	-71.2	172.4	165.7	0	0	111	M708 T709 F714 V715 I716	M708-E712 HydrophobicContact CG-CB 3.87Å; T709-E712 PolarHBondContact N-OE2 3.19Å; T709-E712 VanDerWaalsContact N-OE2 3.12Å; T709-E712 WeakPolarHBondContact O-CB 3.31Å; T709-E712 PolarHBondContact O-N 3.48Å; T709-E712 VanDerWaalsContact O-N 3.07Å; T709-E712 PolarHBondContact OG1-N 2.97Å; E712-F714 VanDerWaalsContact C-N 3.33Å; E712-F714 PolarHBondContact O-N 2.82Å; E712-V715 PolarHBondContact O-N 3.29Å; E712-I716 WeakPolarHBondContact O-CB 3.32Å; E712-I716 VanDerWaalsContact O-CG1 3.3Å; E712-I716 WeakPolarHBondContact O-CG1 3.26Å; E712-I716 PolarHBondContact O-N 2.74Å
713	A	81.9	Confident	76.4	Confident	5 Å²	5	59.8 Å²	59.8	4%	0.041	31%	0.313	C	S	.	.	H	α-helix	trans	-55.7	-48.5	175.3	0	0	0	0	0	111.8	L701 M708 T709 V715 I716 Y717	L701-A713 HydrophobicContact CD2-CB 3.53Å; M708-A713 HydrophobicContact CG-CB 3.89Å; M708-A713 WeakPolarHBondContact SD-CA 3.06Å; M708-A713 HydrophobicContact SD-CB 3.34Å; M708-A713 WeakPolarHBondContact SD-CB 3.45Å; T709-A713 PolarHBondContact O-N 3.41Å; A713-V715 PolarHBondContact O-N 3.34Å; A713-I716 PolarHBondContact O-N 3.36Å; A713-Y717 WeakPolarHBondContact O-CB 3.42Å; A713-Y717 PolarHBondContact O-N 3.49Å
714	F	85.1	Confident	75.6	Confident	0 Å²	0	65 Å²	65	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-46.5	179	-178.6	-104	0	0	0	111.7	F685 L692 K710 E711 E712 I716 Y717 M718 L743 L744	F685-F714 HydrophobicContact CE1-CD1 4.44Å; F685-F714 AromaticContact CE1-CE1 3.8Å; F685-F714 HydrophobicContact CE1-CE1 3.8Å; F685-F714 HydrophobicContact CZ-CE1 4.2Å; L692-F714 HydrophobicContact CD1-CB 3.95Å; L692-F714 HydrophobicContact CD1-CD1 4.36Å; L692-F714 HydrophobicContact CD1-CG 4.08Å; K710-F714 WeakPolarHBondContact O-CB 3.35Å; K710-F714 PolarHBondContact O-N 3.32Å; E711-F714 PolarHBondContact O-N 3.07Å; E712-F714 VanDerWaalsContact C-N 3.33Å; E712-F714 PolarHBondContact O-N 2.82Å; F714-I716 PolarHBondContact O-N 3.3Å; F714-Y717 WeakPolarHBondContact O-CB 3.3Å; F714-Y717 PolarHBondContact O-N 3.17Å; F714-M718 HydrophobicContact CD1-CG 4.27Å; F714-M718 HydrophobicContact CD2-CG 4.34Å; F714-M718 HydrophobicContact CE1-CG 3.87Å; F714-M718 HydrophobicContact CE2-CG 3.95Å; F714-M718 HydrophobicContact CE2-SD 3.97Å; F714-M718 HydrophobicContact CG-CG 4.5Å; F714-M718 HydrophobicContact CZ-CG 3.69Å; F714-M718 HydrophobicContact CZ-SD 4Å; F714-M718 VanDerWaalsContact O-CG 3.28Å; F714-M718 WeakPolarHBondContact O-CG 3.4Å; F714-M718 PolarHBondContact O-N 3.38Å; F714-L743 HydrophobicContact CD1-CD2 4.46Å; F714-L743 HydrophobicContact CD2-CD2 4.4Å; F714-L743 HydrophobicContact CE1-CD2 3.86Å; F714-L743 HydrophobicContact CE2-CD2 3.79Å; F714-L743 HydrophobicContact CZ-CD2 3.48Å; F714-L743 VanDerWaalsContact CZ-CD2 3.48Å; F714-L743 HydrophobicContact CZ-CG 4.39Å; F714-L744 HydrophobicContact CZ-CD2 4.48Å
715	V	85.8	Confident	74.5	Confident	17 Å²	17	69.3 Å²	69.3	10%	0.103	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-42.9	179.6	173	0	0	0	0	111.7	F685 W690 E711 E712 A713 Y717 M718 R719	F685-V715 HydrophobicContact CB-CG2 3.9Å; F685-V715 HydrophobicContact CD1-CG2 4.46Å; F685-V715 HydrophobicContact CG-CG2 4.08Å; W690-V715 HydrophobicContact CH2-CG2 4.02Å; W690-V715 HydrophobicContact CZ2-CG2 3.97Å; E711-V715 WeakPolarHBondContact O-CG2 3Å; E711-V715 PolarHBondContact O-N 2.94Å; E712-V715 PolarHBondContact O-N 3.29Å; A713-V715 PolarHBondContact O-N 3.34Å; V715-Y717 VanDerWaalsContact C-N 3.34Å; V715-M718 PolarHBondContact O-N 3.22Å; V715-R719 WeakPolarHBondContact O-CG 3.43Å; V715-R719 PolarHBondContact O-N 2.93Å
716	I	81	Confident	73.4	Confident	65 Å²	65	71.4 Å²	71.4	33%	0.333	37%	0.368	S	S	.	.	H	α-helix	trans	-61.5	-47.1	176.5	-70.6	165.2	0	0	0	109.9	M708 E712 A713 F714 M718 R719 Q720	M708-I716 HydrophobicContact CE-CD1 3.34Å; M708-I716 HydrophobicContact SD-CD1 4.22Å; E712-I716 WeakPolarHBondContact O-CB 3.32Å; E712-I716 VanDerWaalsContact O-CG1 3.3Å; E712-I716 WeakPolarHBondContact O-CG1 3.26Å; E712-I716 PolarHBondContact O-N 2.74Å; A713-I716 PolarHBondContact O-N 3.36Å; F714-I716 PolarHBondContact O-N 3.3Å; I716-M718 PolarHBondContact O-N 2.96Å; I716-R719 PolarHBondContact O-N 3.1Å; I716-Q720 HydrophobicContact CG2-CG 4.41Å; I716-Q720 WeakPolarHBondContact O-CG 3.42Å; I716-Q720 PolarHBondContact O-N 3.15Å
717	Y	76.7	Confident	72.4	Confident	10 Å²	10	71.7 Å²	71.7	4%	0.039	37%	0.367	C	S	.	.	H	α-helix	trans	-56.5	-51	179	-177.2	-92.2	0	0	0	111.6	C699 A713 F714 V715 R719 Q720 H721 V728 Y731 L732	C699-Y717 HydrophobicContact CB-CD1 3.89Å; C699-Y717 HydrophobicContact CB-CD2 3.87Å; C699-Y717 HydrophobicContact CB-CG 3.51Å; A713-Y717 WeakPolarHBondContact O-CB 3.42Å; A713-Y717 PolarHBondContact O-N 3.49Å; F714-Y717 WeakPolarHBondContact O-CB 3.3Å; F714-Y717 PolarHBondContact O-N 3.17Å; V715-Y717 VanDerWaalsContact C-N 3.34Å; Y717-R719 PolarHBondContact O-N 2.83Å; Y717-Q720 PolarHBondContact O-N 3.11Å; Y717-H721 AromaticContact CD2-CE1 3.78Å; Y717-H721 AromaticContact CD2-ND1 3.74Å; Y717-H721 HydrophobicContact CE1-CB 4.39Å; Y717-H721 AromaticContact CE2-CE1 3.37Å; Y717-H721 WeakPolarHBondContact CE2-CE1 3.44Å; Y717-H721 AromaticContact CE2-CG 3.91Å; Y717-H721 AromaticContact CE2-ND1 3.46Å; Y717-H721 WeakPolarHBondContact CE2-ND1 3.47Å; Y717-H721 AromaticContact CE2-NE2 3.74Å; Y717-H721 AromaticContact CZ-CD2 3.93Å; Y717-H721 AromaticContact CZ-CE1 3.96Å; Y717-H721 AromaticContact CZ-CG 3.7Å; Y717-H721 AromaticContact CZ-ND1 3.71Å; Y717-H721 PolarHBondContact O-N 3.38Å; Y717-H721 PolarHBondContact O-ND1 3.28Å; Y717-H721 PolarHBondContact OH-CD2 2.86Å; Y717-V728 PolarHBondContact OH-O 3.21Å; Y717-Y731 HydrophobicContact CE2-CD1 4.42Å; Y717-L732 HydrophobicContact CD1-CD2 4.5Å; Y717-L732 HydrophobicContact CE1-CD1 3.93Å; Y717-L732 HydrophobicContact CE1-CD2 3.6Å; Y717-L732 HydrophobicContact CE1-CG 3.88Å; Y717-L732 HydrophobicContact CE2-CD2 4.34Å; Y717-L732 WeakPolarHBondContact OH-CG 3.4Å
718	M	78.4	Confident	71.2	Confident	1 Å²	1	68.1 Å²	68.1	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-40.8	178.7	-65.8	-50.2	-66.4	0	0	111.8	I680 F682 F714 V715 I716 Q720 C722 L744	I680-M718 HydrophobicContact CD1-CE 3.28Å; F682-M718 HydrophobicContact CE1-CB 4.36Å; F714-M718 HydrophobicContact CD1-CG 4.27Å; F714-M718 HydrophobicContact CD2-CG 4.34Å; F714-M718 HydrophobicContact CE1-CG 3.87Å; F714-M718 HydrophobicContact CE2-CG 3.95Å; F714-M718 HydrophobicContact CE2-SD 3.97Å; F714-M718 HydrophobicContact CG-CG 4.5Å; F714-M718 HydrophobicContact CZ-CG 3.69Å; F714-M718 HydrophobicContact CZ-SD 4Å; F714-M718 VanDerWaalsContact O-CG 3.28Å; F714-M718 WeakPolarHBondContact O-CG 3.4Å; F714-M718 PolarHBondContact O-N 3.38Å; V715-M718 PolarHBondContact O-N 3.22Å; I716-M718 PolarHBondContact O-N 2.96Å; M718-Q720 PolarHBondContact O-N 2.85Å; M718-C722 WeakPolarHBondContact O-CB 3.4Å; M718-C722 PolarHBondContact O-N 2.76Å; M718-C722 PolarHBondContact O-SG 3.04Å; M718-L744 HydrophobicContact CE-CD1 4.09Å; M718-L744 HydrophobicContact CE-CD2 4.19Å
719	R	78.9	Confident	70	Confident	134 Å²	134	67.5 Å²	67.5	51%	0.506	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-40.3	177	-76.1	177.2	-179.1	169.4	3.7	113.2	F682 V715 I716 Y717	F682-R719 HydrophobicContact CD1-CG 3.91Å; F682-R719 HydrophobicContact CE1-CB 4.32Å; F682-R719 HydrophobicContact CE1-CG 3.34Å; F682-R719 HydrophobicContact CZ-CB 4.41Å; F682-R719 HydrophobicContact CZ-CG 3.73Å; V715-R719 WeakPolarHBondContact O-CG 3.43Å; V715-R719 PolarHBondContact O-N 2.93Å; I716-R719 PolarHBondContact O-N 3.1Å; Y717-R719 PolarHBondContact O-N 2.83Å
720	Q	73.1	Confident	68.3	Low	116 Å²	116	69 Å²	69	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-71.3	-43	-178.3	-72.6	176.5	-1.3	0	0	111.8	I716 Y717 M718	I716-Q720 HydrophobicContact CG2-CG 4.41Å; I716-Q720 WeakPolarHBondContact O-CG 3.42Å; I716-Q720 PolarHBondContact O-N 3.15Å; Y717-Q720 PolarHBondContact O-N 3.11Å; M718-Q720 PolarHBondContact O-N 2.85Å
721	H	65.7	Low	66.7	Low	32 Å²	32	70.8 Å²	70.8	15%	0.148	34%	0.342	C	S	.	.	H	α-helix	trans	-92.2	-31.5	-169.4	-65.9	73.6	0	0	0	112.8	Y717 R723 K724 V728 Y731	Y717-H721 AromaticContact CD2-CE1 3.78Å; Y717-H721 AromaticContact CD2-ND1 3.74Å; Y717-H721 HydrophobicContact CE1-CB 4.39Å; Y717-H721 AromaticContact CE2-CE1 3.37Å; Y717-H721 WeakPolarHBondContact CE2-CE1 3.44Å; Y717-H721 AromaticContact CE2-CG 3.91Å; Y717-H721 AromaticContact CE2-ND1 3.46Å; Y717-H721 WeakPolarHBondContact CE2-ND1 3.47Å; Y717-H721 AromaticContact CE2-NE2 3.74Å; Y717-H721 AromaticContact CZ-CD2 3.93Å; Y717-H721 AromaticContact CZ-CE1 3.96Å; Y717-H721 AromaticContact CZ-CG 3.7Å; Y717-H721 AromaticContact CZ-ND1 3.71Å; Y717-H721 PolarHBondContact O-N 3.38Å; Y717-H721 PolarHBondContact O-ND1 3.28Å; Y717-H721 PolarHBondContact OH-CD2 2.86Å; H721-R723 PolarHBondContact O-N 2.82Å; H721-R723 VanDerWaalsContact O-N 3.11Å; H721-K724 PolarHBondContact O-N 3.27Å; H721-V728 VanDerWaalsContact C-CG2 3.44Å; H721-V728 HydrophobicContact CB-CB 4.35Å; H721-V728 HydrophobicContact CB-CG1 4.27Å; H721-V728 HydrophobicContact CB-CG2 3.86Å; H721-V728 WeakPolarHBondContact O-CG2 3.41Å; H721-Y731 AromaticContact NE2-CD1 3.71Å
722	C	62.5	Low	65	Low	26 Å²	26	69.8 Å²	69.8	18%	0.176	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-23.7	176.8	-73.5	0	0	0	0	113.8	I680 M718	I680-C722 WeakPolarHBondContact CD1-SG 3.3Å; M718-C722 WeakPolarHBondContact O-CB 3.4Å; M718-C722 PolarHBondContact O-N 2.76Å; M718-C722 PolarHBondContact O-SG 3.04Å
723	R	54.7	Low	63.4	Low	212 Å²	212	65.7 Å²	65.7	80%	0.8	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-22.6	177.9	-71.2	-177.5	176.3	175.1	-0.3	113.5	H721 H725	H721-R723 PolarHBondContact O-N 2.82Å; H721-R723 VanDerWaalsContact O-N 3.11Å; R723-H725 PolarHBondContact O-N 2.65Å
724	K	53.3	Low	62.2	Low	149 Å²	149	68.9 Å²	68.9	65%	0.648	35%	0.348	S	S	*	.	S	Bend	trans	-97.3	83.6	177.7	-68.3	-174.5	179.7	-179.3	0	108	H721 A726 D727	H721-K724 PolarHBondContact O-N 3.27Å; K724-A726 PolarHBondContact O-N 3.48Å; K724-D727 PolarHBondContact O-N 3.06Å; K724-D727 VanDerWaalsContact O-N 3.15Å
725	H	50.4	Low	61.1	Low	176 Å²	176	72 Å²	72	82%	0.815	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	1	-169.3	-78.8	-62.3	0	0	0	119.5	R723	R723-H725 PolarHBondContact O-N 2.65Å
726	A	50.7	Low	60.6	Low	89 Å²	89	72.2 Å²	72.2	74%	0.736	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	-12.1	-178.8	0	0	0	0	0	115.2	K724	K724-A726 PolarHBondContact O-N 3.48Å
727	D	52.5	Low	60.3	Low	85 Å²	85	72.8 Å²	72.8	46%	0.455	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-1.4	-162	-100.8	-24.7	0	0	0	116.1	K724 Y729 S730 Y731	K724-D727 PolarHBondContact O-N 3.06Å; K724-D727 VanDerWaalsContact O-N 3.15Å; D727-Y729 PolarHBondContact O-N 3.39Å; D727-S730 PolarHBondContact O-N 3.04Å; D727-S730 WeakPolarHBondContact OD1-CB 3.28Å; D727-S730 PolarHBondContact OD1-OG 2.93Å; D727-Y731 PolarHBondContact O-N 2.82Å; D727-Y731 VanDerWaalsContact O-N 3.07Å
728	V	51	Low	60.4	Low	7 Å²	7	73.7 Å²	73.7	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-52.8	-45.9	179.8	-176.7	0	0	0	0	110.5	Y717 H721 L732	Y717-V728 PolarHBondContact OH-O 3.21Å; H721-V728 VanDerWaalsContact C-CG2 3.44Å; H721-V728 HydrophobicContact CB-CB 4.35Å; H721-V728 HydrophobicContact CB-CG1 4.27Å; H721-V728 HydrophobicContact CB-CG2 3.86Å; H721-V728 WeakPolarHBondContact O-CG2 3.41Å; V728-L732 HydrophobicContact CG1-CD1 3.83Å; V728-L732 VanDerWaalsContact O-CD1 3.3Å; V728-L732 WeakPolarHBondContact O-CD1 3.37Å; V728-L732 WeakPolarHBondContact O-CG 2.96Å; V728-L732 PolarHBondContact O-N 2.76Å; V728-L732 VanDerWaalsContact O-N 3.16Å
729	Y	51.2	Low	60.8	Low	50 Å²	50	73.7 Å²	73.7	20%	0.196	37%	0.367	C	S	.	.	H	α-helix	trans	-84.3	-31.6	-175.6	-57.6	-74.7	0	0	0	113.9	H677 D727 Y731 G733 E737 H741	H677-Y729 WeakPolarHBondContact CB-OH 3.42Å; H677-Y729 AromaticContact CE1-CE2 3.7Å; H677-Y729 AromaticContact ND1-CE2 3.58Å; H677-Y729 AromaticContact ND1-CZ 3.72Å; H677-Y729 PolarHBondContact ND1-OH 3.46Å; D727-Y729 PolarHBondContact O-N 3.39Å; Y729-Y731 PolarHBondContact O-N 2.63Å; Y729-G733 PolarHBondContact O-N 2.92Å; Y729-E737 HydrophobicContact CD1-CG 4.09Å; Y729-E737 HydrophobicContact CE1-CG 4.12Å; Y729-H741 AromaticContact CE1-CD2 3.97Å; Y729-H741 AromaticContact CE1-NE2 3.25Å; Y729-H741 VanDerWaalsContact CE1-NE2 3.25Å; Y729-H741 WeakPolarHBondContact CE1-NE2 3.49Å; Y729-H741 AromaticContact CZ-NE2 3.37Å; Y729-H741 PolarHBondContact OH-NE2 3.07Å
730	S	47.7	Very low	61	Low	88 Å²	88	67.3 Å²	67.3	62%	0.615	34%	0.344	S	S	*	.	H	α-helix	trans	-57.1	-41.4	172.2	175.1	0	0	0	0	110.7	D727	D727-S730 PolarHBondContact O-N 3.04Å; D727-S730 WeakPolarHBondContact OD1-CB 3.28Å; D727-S730 PolarHBondContact OD1-OG 2.93Å
731	Y	47.4	Very low	61.4	Low	100 Å²	100	62.9 Å²	62.9	39%	0.392	32%	0.323	S	S	.	.	H	α-helix	trans	-87.1	-30	-178.9	-163.7	-97.9	0	0	0	114.8	R700 Y717 H721 D727 Y729 G733	R700-Y731 WeakPolarHBondContact CD-O 3.43Å; R700-Y731 PolarHBondContact NE-O 2.99Å; R700-Y731 PolarHBondContact NH1-O 2.81Å; R700-Y731 PolarHBondContact NH2-O 3.02Å; Y717-Y731 HydrophobicContact CE2-CD1 4.42Å; H721-Y731 AromaticContact NE2-CD1 3.71Å; D727-Y731 PolarHBondContact O-N 2.82Å; D727-Y731 VanDerWaalsContact O-N 3.07Å; Y729-Y731 PolarHBondContact O-N 2.63Å; Y731-G733 PolarHBondContact O-N 2.95Å
732	L	51.1	Low	62.4	Low	1 Å²	1	61.5 Å²	61.5	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-26	174.6	-78.4	157.5	0	0	0	112.2	R700 Y717 V728 I740	R700-L732 PolarHBondContact NE-O 3.42Å; R700-L732 VanDerWaalsContact NE-O 3.13Å; R700-L732 PolarHBondContact NH2-O 2.49Å; Y717-L732 HydrophobicContact CD1-CD2 4.5Å; Y717-L732 HydrophobicContact CE1-CD1 3.93Å; Y717-L732 HydrophobicContact CE1-CD2 3.6Å; Y717-L732 HydrophobicContact CE1-CG 3.88Å; Y717-L732 HydrophobicContact CE2-CD2 4.34Å; Y717-L732 WeakPolarHBondContact OH-CG 3.4Å; V728-L732 HydrophobicContact CG1-CD1 3.83Å; V728-L732 VanDerWaalsContact O-CD1 3.3Å; V728-L732 WeakPolarHBondContact O-CD1 3.37Å; V728-L732 WeakPolarHBondContact O-CG 2.96Å; V728-L732 PolarHBondContact O-N 2.76Å; V728-L732 VanDerWaalsContact O-N 3.16Å; L732-I740 HydrophobicContact CD1-CD1 3.42Å; L732-I740 VanDerWaalsContact CD1-CD1 3.42Å; L732-I740 HydrophobicContact CD2-CD1 3.72Å; L732-I740 HydrophobicContact CG-CD1 4.11Å
733	G	53	Low	63.7	Low	16 Å²	16	60.2 Å²	60.2	17%	0.165	31%	0.308	C	S	.	.			trans	71.7	138.8	-158	0	0	0	0	0	108.8	Y729 Y731 Q735	Y729-G733 PolarHBondContact O-N 2.92Å; Y731-G733 PolarHBondContact O-N 2.95Å; G733-Q735 PolarHBondContact O-N 3.39Å
734	A	55.9	Low	65.2	Low	72 Å²	72	50.2 Å²	50.2	60%	0.595	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-1.5	176.8	0	0	0	0	0	114.9
735	Q	63	Low	66.9	Low	66 Å²	66	44.4 Å²	44.4	31%	0.308	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-38.7	-176.6	-61.9	177.8	13.2	0	0	112.7	R87 G733	R87-Q735 VanDerWaalsContact CZ-O 3.22Å; R87-Q735 PolarHBondContact NH1-O 2.89Å; R87-Q735 PolarHBondContact NH2-O 2.94Å; G733-Q735 PolarHBondContact O-N 3.39Å
736	F	73.6	Confident	68.8	Low	21 Å²	21	36 Å²	36	9%	0.092	21%	0.207	C	C	.	.	S	Bend	trans	-106.8	6.9	-173.3	-54.1	-63.6	0	0	0	114.5	H697 Y738 L739 I740	H697-F736 HydrophobicContact CB-CE1 4.32Å; H697-F736 HydrophobicContact CB-CZ 4.2Å; F736-Y738 PolarHBondContact O-N 3.34Å; F736-L739 PolarHBondContact O-N 3.2Å; F736-I740 HydrophobicContact CB-CD1 4.05Å; F736-I740 WeakPolarHBondContact O-CG1 3.12Å; F736-I740 PolarHBondContact O-N 3.21Å
737	E	74.8	Confident	70.7	Confident	78 Å²	78	31.8 Å²	31.8	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-55.8	-50.3	-174.2	-176.7	173.3	-177.2	0	0	112.8	Y729 L739 I740 H741	Y729-E737 HydrophobicContact CD1-CG 4.09Å; Y729-E737 HydrophobicContact CE1-CG 4.12Å; E737-L739 PolarHBondContact O-N 2.85Å; E737-I740 PolarHBondContact O-N 3.33Å; E737-H741 VanDerWaalsContact CG-CE1 3.47Å; E737-H741 WeakPolarHBondContact CG-CE1 3.44Å; E737-H741 PolarHBondContact O-N 2.99Å; E737-H741 IonicContact OE1-CE1 3.64Å; E737-H741 PolarHBondContact OE1-CE1 2.86Å; E737-H741 VanDerWaalsContact OE1-CE1 3.28Å; E737-H741 IonicContact OE1-NE2 3.83Å
738	Y	79.9	Confident	72.4	Confident	28 Å²	28	29 Å²	29	11%	0.11	16%	0.157	C	C	.	.	H	α-helix	trans	-56.1	-48.1	178.1	178.8	-90.7	0	0	0	112.2	Y518 M519 I666 T668 F736 I740 H741 R742	Y518-Y738 AromaticContact CD2-CD1 3.88Å; Y518-Y738 HydrophobicContact CD2-CD1 3.88Å; Y518-Y738 HydrophobicContact CD2-CE1 4.27Å; Y518-Y738 HydrophobicContact CE2-CD1 4.22Å; Y518-Y738 VanDerWaalsContact O-CE1 3.25Å; Y518-Y738 WeakPolarHBondContact O-CE1 3.29Å; M519-Y738 HydrophobicContact CG-CD1 4.23Å; I666-Y738 PolarHBondContact O-OH 2.97Å; T668-Y738 HydrophobicContact CG2-CD2 4.2Å; T668-Y738 HydrophobicContact CG2-CE2 3.81Å; T668-Y738 VanDerWaalsContact OG1-CD2 3.3Å; T668-Y738 WeakPolarHBondContact OG1-CD2 3.35Å; T668-Y738 WeakPolarHBondContact OG1-CE2 3.41Å; F736-Y738 PolarHBondContact O-N 3.34Å; Y738-I740 VanDerWaalsContact C-N 3.33Å; Y738-I740 PolarHBondContact O-N 3.14Å; Y738-H741 PolarHBondContact O-N 3.17Å; Y738-R742 HydrophobicContact CE1-CB 4.49Å; Y738-R742 VanDerWaalsContact O-CB 3.29Å; Y738-R742 WeakPolarHBondContact O-CB 3.26Å; Y738-R742 PolarHBondContact O-N 3.12Å
739	L	85.8	Confident	74.3	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-44	-179	178.7	60.6	0	0	0	111.2	Y518 W696 Y698 F736 E737 R742 L743	Y518-L739 HydrophobicContact CD1-CD1 3.97Å; Y518-L739 HydrophobicContact CD1-CD2 4.28Å; Y518-L739 HydrophobicContact CD2-CB 4.12Å; Y518-L739 HydrophobicContact CD2-CD1 4.15Å; Y518-L739 HydrophobicContact CE1-CB 4.36Å; Y518-L739 HydrophobicContact CE1-CD1 4.25Å; Y518-L739 HydrophobicContact CE1-CD2 3.78Å; Y518-L739 HydrophobicContact CE1-CG 4.35Å; Y518-L739 HydrophobicContact CE2-CB 3.7Å; Y518-L739 HydrophobicContact CE2-CD1 4.45Å; Y518-L739 HydrophobicContact CE2-CG 4.47Å; Y518-L739 HydrophobicContact CG-CD1 3.93Å; W696-L739 HydrophobicContact CB-CD2 4.42Å; W696-L739 HydrophobicContact CE3-CD1 3.74Å; W696-L739 HydrophobicContact CE3-CD2 4.28Å; W696-L739 HydrophobicContact CZ3-CD1 3.89Å; Y698-L739 HydrophobicContact CD1-CD1 4.38Å; Y698-L739 HydrophobicContact CD1-CD2 3.72Å; Y698-L739 HydrophobicContact CD1-CG 3.81Å; Y698-L739 HydrophobicContact CE1-CD1 3.74Å; Y698-L739 HydrophobicContact CE1-CD2 3.71Å; Y698-L739 HydrophobicContact CE1-CG 3.69Å; Y698-L739 HydrophobicContact CG-CD2 4.36Å; F736-L739 PolarHBondContact O-N 3.2Å; E737-L739 PolarHBondContact O-N 2.85Å; L739-R742 PolarHBondContact O-N 3.07Å; L739-L743 VanDerWaalsContact O-CB 3.26Å; L739-L743 WeakPolarHBondContact O-CB 3.47Å; L739-L743 PolarHBondContact O-N 3.38Å
740	I	82.7	Confident	76.2	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-69.3	-43.3	-178.3	-66.2	167.1	0	0	0	110.4	Y698 L732 F736 E737 Y738 L743 L744	Y698-I740 WeakPolarHBondContact O-CD1 3.27Å; L732-I740 HydrophobicContact CD1-CD1 3.42Å; L732-I740 VanDerWaalsContact CD1-CD1 3.42Å; L732-I740 HydrophobicContact CD2-CD1 3.72Å; L732-I740 HydrophobicContact CG-CD1 4.11Å; F736-I740 HydrophobicContact CB-CD1 4.05Å; F736-I740 WeakPolarHBondContact O-CG1 3.12Å; F736-I740 PolarHBondContact O-N 3.21Å; E737-I740 PolarHBondContact O-N 3.33Å; Y738-I740 VanDerWaalsContact C-N 3.33Å; Y738-I740 PolarHBondContact O-N 3.14Å; I740-L743 PolarHBondContact O-N 3.3Å; I740-L744 HydrophobicContact CG2-CD1 4.12Å; I740-L744 HydrophobicContact CG2-CG 4.41Å; I740-L744 WeakPolarHBondContact O-CB 3.33Å; I740-L744 VanDerWaalsContact O-CG 3.27Å; I740-L744 WeakPolarHBondContact O-CG 3.48Å; I740-L744 PolarHBondContact O-N 2.9Å
741	H	82.6	Confident	78.2	Confident	22 Å²	22	23.4 Å²	23.4	10%	0.102	13%	0.125	C	C	.	.	H	α-helix	trans	-61.9	-45	175.5	-72.2	-176.9	0	0	0	111.5	T668 Y729 E737 Y738 L743 L744 L745	T668-H741 HydrophobicContact CG2-CB 4.48Å; Y729-H741 AromaticContact CE1-CD2 3.97Å; Y729-H741 AromaticContact CE1-NE2 3.25Å; Y729-H741 VanDerWaalsContact CE1-NE2 3.25Å; Y729-H741 WeakPolarHBondContact CE1-NE2 3.49Å; Y729-H741 AromaticContact CZ-NE2 3.37Å; Y729-H741 PolarHBondContact OH-NE2 3.07Å; E737-H741 VanDerWaalsContact CG-CE1 3.47Å; E737-H741 WeakPolarHBondContact CG-CE1 3.44Å; E737-H741 PolarHBondContact O-N 2.99Å; E737-H741 IonicContact OE1-CE1 3.64Å; E737-H741 PolarHBondContact OE1-CE1 2.86Å; E737-H741 VanDerWaalsContact OE1-CE1 3.28Å; E737-H741 IonicContact OE1-NE2 3.83Å; Y738-H741 PolarHBondContact O-N 3.17Å; H741-L743 PolarHBondContact O-N 2.85Å; H741-L744 PolarHBondContact O-N 2.87Å; H741-L745 WeakPolarHBondContact O-CB 3.33Å; H741-L745 PolarHBondContact O-N 2.89Å
742	R	87	Confident	80.1	Confident	3 Å²	3	22.8 Å²	22.8	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-43.7	176	-171	74.1	-175.7	95.7	21.7	111.6	T668 Y738 L739 L745 D746 A892	T668-R742 HydrophobicContact CG2-CB 3.95Å; Y738-R742 HydrophobicContact CE1-CB 4.49Å; Y738-R742 VanDerWaalsContact O-CB 3.29Å; Y738-R742 WeakPolarHBondContact O-CB 3.26Å; Y738-R742 PolarHBondContact O-N 3.12Å; L739-R742 PolarHBondContact O-N 3.07Å; R742-L745 PolarHBondContact O-N 3.45Å; R742-D746 IonicContact CZ-OD1 3.28Å; R742-D746 IonicContact CZ-OD2 3.69Å; R742-D746 IonicContact NH1-OD1 2.78Å; R742-D746 PolarHBondContact NH1-OD1 2.78Å; R742-D746 IonicContact NH1-OD2 3.88Å; R742-D746 IonicContact NH2-OD1 3.21Å; R742-D746 PolarHBondContact NH2-OD1 2.72Å; R742-D746 IonicContact NH2-OD2 2.62Å; R742-D746 PolarHBondContact NH2-OD2 3.02Å; R742-D746 WeakPolarHBondContact O-CB 3.33Å; R742-D746 PolarHBondContact O-N 3.36Å; R742-A892 PolarHBondContact NH2-O 2.9Å
743	L	89.5	Confident	81.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-44.8	177.3	179.7	64.1	0	0	0	111.6	L692 Y698 F714 L739 I740 H741 L745 D746 M747 L780	L692-L743 HydrophobicContact CD1-CD2 4.48Å; L692-L743 HydrophobicContact CD2-CD1 3.72Å; L692-L743 HydrophobicContact CD2-CD2 3.87Å; L692-L743 HydrophobicContact CD2-CG 4.46Å; Y698-L743 HydrophobicContact CD1-CD2 3.47Å; Y698-L743 VanDerWaalsContact CD1-CD2 3.47Å; Y698-L743 HydrophobicContact CE1-CB 4.47Å; Y698-L743 HydrophobicContact CE1-CD1 4.47Å; Y698-L743 HydrophobicContact CE1-CD2 3.71Å; Y698-L743 HydrophobicContact CE1-CG 4.44Å; Y698-L743 HydrophobicContact CG-CD2 4.26Å; F714-L743 HydrophobicContact CD1-CD2 4.46Å; F714-L743 HydrophobicContact CD2-CD2 4.4Å; F714-L743 HydrophobicContact CE1-CD2 3.86Å; F714-L743 HydrophobicContact CE2-CD2 3.79Å; F714-L743 HydrophobicContact CZ-CD2 3.48Å; F714-L743 VanDerWaalsContact CZ-CD2 3.48Å; F714-L743 HydrophobicContact CZ-CG 4.39Å; L739-L743 VanDerWaalsContact O-CB 3.26Å; L739-L743 WeakPolarHBondContact O-CB 3.47Å; L739-L743 PolarHBondContact O-N 3.38Å; I740-L743 PolarHBondContact O-N 3.3Å; H741-L743 PolarHBondContact O-N 2.85Å; L743-L745 VanDerWaalsContact C-N 3.34Å; L743-L745 PolarHBondContact O-N 2.85Å; L743-D746 PolarHBondContact O-N 2.96Å; L743-M747 HydrophobicContact CD1-CE 4.09Å; L743-M747 HydrophobicContact CD1-CG 4.26Å; L743-M747 HydrophobicContact CG-CG 4.31Å; L743-M747 WeakPolarHBondContact O-CB 3.15Å; L743-M747 WeakPolarHBondContact O-CG 3.2Å; L743-M747 PolarHBondContact O-N 3.18Å; L743-L780 HydrophobicContact CD1-CB 3.77Å
744	L	87	Confident	83.3	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-40.8	178.2	-71.5	176.9	0	0	0	111.9	P676 I680 F685 F714 M718 I740 H741 M747 E748	P676-L744 HydrophobicContact CB-CB 4.08Å; P676-L744 HydrophobicContact CB-CD1 4.19Å; I680-L744 HydrophobicContact CD1-CD1 3.98Å; I680-L744 HydrophobicContact CD1-CD2 4.02Å; I680-L744 HydrophobicContact CG1-CD1 4.32Å; I680-L744 HydrophobicContact CG1-CD2 4.05Å; F685-L744 HydrophobicContact CZ-CD2 4.28Å; F714-L744 HydrophobicContact CZ-CD2 4.48Å; M718-L744 HydrophobicContact CE-CD1 4.09Å; M718-L744 HydrophobicContact CE-CD2 4.19Å; I740-L744 HydrophobicContact CG2-CD1 4.12Å; I740-L744 HydrophobicContact CG2-CG 4.41Å; I740-L744 WeakPolarHBondContact O-CB 3.33Å; I740-L744 VanDerWaalsContact O-CG 3.27Å; I740-L744 WeakPolarHBondContact O-CG 3.48Å; I740-L744 PolarHBondContact O-N 2.9Å; H741-L744 PolarHBondContact O-N 2.87Å; L744-M747 PolarHBondContact O-N 2.99Å; L744-E748 WeakPolarHBondContact O-CB 3.39Å; L744-E748 PolarHBondContact O-N 3.29Å
745	L	87.9	Confident	84.7	Confident	27 Å²	27	28.4 Å²	28.4	14%	0.141	14%	0.136	C	C	.	.	H	α-helix	trans	-61.2	-48.6	173.6	176.3	63.6	0	0	0	111.4	V70 I666 H741 R742 L743 M747 E748 V749	V70-L745 HydrophobicContact CG1-CD2 4.43Å; V70-L745 HydrophobicContact CG2-CD1 4.11Å; V70-L745 HydrophobicContact CG2-CD2 4.32Å; I666-L745 HydrophobicContact CG2-CD2 3.91Å; H741-L745 WeakPolarHBondContact O-CB 3.33Å; H741-L745 PolarHBondContact O-N 2.89Å; R742-L745 PolarHBondContact O-N 3.45Å; L743-L745 VanDerWaalsContact C-N 3.34Å; L743-L745 PolarHBondContact O-N 2.85Å; L745-M747 VanDerWaalsContact C-N 3.31Å; L745-M747 PolarHBondContact O-N 2.97Å; L745-E748 PolarHBondContact O-N 3.5Å; L745-V749 HydrophobicContact CD1-CG2 4.2Å; L745-V749 WeakPolarHBondContact O-CG2 3.27Å; L745-V749 PolarHBondContact O-N 2.94Å
746	D	91	Very high	85.8	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.9	-37.3	178.1	-76	-22.2	0	0	0	111.7	Y65 R742 L743 T750 T776 S778 L780	Y65-D746 PolarHBondContact OH-OD1 3.45Å; Y65-D746 VanDerWaalsContact OH-OD1 3.14Å; R742-D746 IonicContact CZ-OD1 3.28Å; R742-D746 IonicContact CZ-OD2 3.69Å; R742-D746 IonicContact NH1-OD1 2.78Å; R742-D746 PolarHBondContact NH1-OD1 2.78Å; R742-D746 IonicContact NH1-OD2 3.88Å; R742-D746 IonicContact NH2-OD1 3.21Å; R742-D746 PolarHBondContact NH2-OD1 2.72Å; R742-D746 IonicContact NH2-OD2 2.62Å; R742-D746 PolarHBondContact NH2-OD2 3.02Å; R742-D746 WeakPolarHBondContact O-CB 3.33Å; R742-D746 PolarHBondContact O-N 3.36Å; L743-D746 PolarHBondContact O-N 2.96Å; D746-T750 VanDerWaalsContact O-CB 3.26Å; D746-T750 WeakPolarHBondContact O-CB 3.42Å; D746-T750 VanDerWaalsContact O-CG2 3.25Å; D746-T750 WeakPolarHBondContact O-CG2 3.32Å; D746-T750 PolarHBondContact O-N 2.98Å; D746-T750 PolarHBondContact O-OG1 2.76Å; D746-T776 HydrophobicContact CB-CG2 4.1Å; D746-T776 WeakPolarHBondContact OD2-CB 3.48Å; D746-T776 PolarHBondContact OD2-OG1 2.95Å; D746-S778 WeakPolarHBondContact OD2-CB 3.46Å; D746-S778 PolarHBondContact OD2-N 3.21Å; D746-S778 PolarHBondContact OD2-OG 3.22Å; D746-L780 HydrophobicContact CB-CD2 4.3Å
747	M	89.8	Confident	86.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.7	-41.1	174.9	-76.5	-74.2	-170	0	0	112.3	W684 F685 W690 L692 L743 L744 L745 S751 L780 R782	W684-M747 HydrophobicContact CE3-CB 4.44Å; F685-M747 HydrophobicContact CD1-CE 4.06Å; F685-M747 HydrophobicContact CD1-SD 4.07Å; F685-M747 HydrophobicContact CE1-CB 4.5Å; F685-M747 HydrophobicContact CE1-CE 4.06Å; F685-M747 HydrophobicContact CE1-CG 4Å; F685-M747 HydrophobicContact CE1-SD 4.02Å; W690-M747 HydrophobicContact CD2-CE 4.32Å; W690-M747 HydrophobicContact CE3-CE 3.61Å; W690-M747 HydrophobicContact CH2-CE 4.26Å; W690-M747 HydrophobicContact CZ3-CE 3.56Å; L692-M747 HydrophobicContact CD2-CE 4.28Å; L743-M747 HydrophobicContact CD1-CE 4.09Å; L743-M747 HydrophobicContact CD1-CG 4.26Å; L743-M747 HydrophobicContact CG-CG 4.31Å; L743-M747 WeakPolarHBondContact O-CB 3.15Å; L743-M747 WeakPolarHBondContact O-CG 3.2Å; L743-M747 PolarHBondContact O-N 3.18Å; L744-M747 PolarHBondContact O-N 2.99Å; L745-M747 VanDerWaalsContact C-N 3.31Å; L745-M747 PolarHBondContact O-N 2.97Å; M747-S751 WeakPolarHBondContact O-CA 3.43Å; M747-S751 WeakPolarHBondContact O-CB 3.37Å; M747-S751 PolarHBondContact O-N 3.05Å; M747-L780 HydrophobicContact CE-CD1 3.42Å; M747-L780 VanDerWaalsContact CE-CD1 3.42Å; M747-L780 HydrophobicContact CE-CD2 4.06Å; M747-L780 HydrophobicContact CE-CG 4.29Å; M747-L780 HydrophobicContact CG-CD2 3.96Å; M747-L780 HydrophobicContact SD-CD1 3.91Å; M747-L780 HydrophobicContact SD-CD2 3.61Å; M747-L780 HydrophobicContact SD-CG 4.4Å; M747-R782 PolarHBondContact SD-NH2 2.82Å
748	E	88.7	Confident	87	Confident	28 Å²	28	25.4 Å²	25.4	13%	0.131	13%	0.134	C	C	.	.	H	α-helix	trans	-63.9	-54.7	175.8	-177.2	172.4	-170	0	0	110.3	R679 W684 L744 L745 T750 S751	R679-E748 IonicContact NH1-OE1 2.72Å; R679-E748 PolarHBondContact NH1-OE1 2.03Å; R679-E748 IonicContact NH1-OE2 2.78Å; W684-E748 HydrophobicContact CE3-CB 4.45Å; W684-E748 HydrophobicContact CH2-CB 3.71Å; W684-E748 HydrophobicContact CH2-CG 3.75Å; W684-E748 HydrophobicContact CZ2-CB 3.88Å; W684-E748 HydrophobicContact CZ2-CG 3.62Å; W684-E748 HydrophobicContact CZ3-CB 4.01Å; L744-E748 WeakPolarHBondContact O-CB 3.39Å; L744-E748 PolarHBondContact O-N 3.29Å; L745-E748 PolarHBondContact O-N 3.5Å; E748-T750 VanDerWaalsContact C-N 3.34Å; E748-T750 PolarHBondContact O-N 2.9Å; E748-S751 WeakPolarHBondContact O-CB 3.46Å; E748-S751 PolarHBondContact O-N 2.82Å; E748-S751 PolarHBondContact O-OG 3.35Å
749	V	89.8	Confident	87.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.2	-38.9	-177.3	175	0	0	0	0	112.3	L61 K64 Y65 H68 L745	L61-V749 HydrophobicContact CD1-CG1 4.04Å; K64-V749 HydrophobicContact CB-CG1 4.02Å; K64-V749 WeakPolarHBondContact CD-O 3.38Å; Y65-V749 HydrophobicContact CD1-CG1 3.92Å; Y65-V749 HydrophobicContact CD1-CG2 4.24Å; Y65-V749 HydrophobicContact CD2-CG1 4.05Å; Y65-V749 HydrophobicContact CE1-CB 4.26Å; Y65-V749 HydrophobicContact CE1-CG1 3.84Å; Y65-V749 HydrophobicContact CE1-CG2 4.21Å; Y65-V749 HydrophobicContact CE2-CG1 3.99Å; Y65-V749 HydrophobicContact CG-CG1 4.01Å; H68-V749 HydrophobicContact CB-CG2 4.05Å; L745-V749 HydrophobicContact CD1-CG2 4.2Å; L745-V749 WeakPolarHBondContact O-CG2 3.27Å; L745-V749 PolarHBondContact O-N 2.94Å
750	T	91.8	Very high	86.3	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	0.7	-176.2	64.5	0	0	0	0	113.9	L61 D746 E748 D752 M753 L774 T776 R782	L61-T750 HydrophobicContact CD1-CG2 4.31Å; D746-T750 VanDerWaalsContact O-CB 3.26Å; D746-T750 WeakPolarHBondContact O-CB 3.42Å; D746-T750 VanDerWaalsContact O-CG2 3.25Å; D746-T750 WeakPolarHBondContact O-CG2 3.32Å; D746-T750 PolarHBondContact O-N 2.98Å; D746-T750 PolarHBondContact O-OG1 2.76Å; E748-T750 VanDerWaalsContact C-N 3.34Å; E748-T750 PolarHBondContact O-N 2.9Å; T750-D752 PolarHBondContact O-N 3.16Å; T750-M753 WeakPolarHBondContact O-CB 3.36Å; T750-M753 WeakPolarHBondContact O-CG 3.41Å; T750-M753 PolarHBondContact O-N 2.91Å; T750-M753 VanDerWaalsContact O-N 3.1Å; T750-L774 HydrophobicContact CG2-CD1 3.73Å; T750-L774 HydrophobicContact CG2-CD2 4.17Å; T750-T776 HydrophobicContact CG2-CG2 4.13Å; T750-R782 PolarHBondContact OG1-NE 3.48Å
751	S	89.4	Confident	85.7	Confident	27 Å²	27	40.3 Å²	40.3	19%	0.189	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-42	-171.2	56.4	0	0	0	0	114.3	M747 E748	M747-S751 WeakPolarHBondContact O-CA 3.43Å; M747-S751 WeakPolarHBondContact O-CB 3.37Å; M747-S751 PolarHBondContact O-N 3.05Å; E748-S751 WeakPolarHBondContact O-CB 3.46Å; E748-S751 PolarHBondContact O-N 2.82Å; E748-S751 PolarHBondContact O-OG 3.35Å
752	D	87.1	Confident	85.4	Confident	87 Å²	87	41 Å²	41	47%	0.465	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.3	179.8	-26.5	-70.8	0	0	0	114.3	K64 T750 E754 F755 L756	K64-D752 IonicContact NZ-OD2 2.98Å; K64-D752 PolarHBondContact NZ-OD2 3.39Å; T750-D752 PolarHBondContact O-N 3.16Å; D752-E754 VanDerWaalsContact C-N 3.28Å; D752-E754 PolarHBondContact O-N 3.4Å; D752-F755 WeakPolarHBondContact O-CB 3.17Å; D752-F755 PolarHBondContact O-N 3.49Å; D752-F755 VanDerWaalsContact O-N 3.13Å; D752-L756 WeakPolarHBondContact O-CG 3.45Å; D752-L756 PolarHBondContact O-N 3.46Å
753	M	88.8	Confident	85.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-37.8	-177.1	-73	-63.1	-62.4	0	0	112.2	Q57 L61 T750 F755 L756 W757 L774	Q57-M753 HydrophobicContact CB-CE 4.24Å; L61-M753 HydrophobicContact CB-SD 4.41Å; L61-M753 HydrophobicContact CD1-CG 4.42Å; L61-M753 HydrophobicContact CD1-SD 4.04Å; T750-M753 WeakPolarHBondContact O-CB 3.36Å; T750-M753 WeakPolarHBondContact O-CG 3.41Å; T750-M753 PolarHBondContact O-N 2.91Å; T750-M753 VanDerWaalsContact O-N 3.1Å; M753-F755 VanDerWaalsContact C-N 3.3Å; M753-F755 PolarHBondContact O-N 3.29Å; M753-L756 PolarHBondContact O-N 3.33Å; M753-L756 HydrophobicContact SD-CD1 3.9Å; M753-W757 HydrophobicContact CB-CZ3 4.46Å; M753-W757 HydrophobicContact CE-CZ2 3.75Å; M753-W757 PolarHBondContact O-N 3.17Å; M753-L774 HydrophobicContact CB-CD2 3.73Å; M753-L774 HydrophobicContact CE-CD2 4.22Å; M753-L774 HydrophobicContact CG-CD2 3.65Å
754	E	83.9	Confident	84.6	Confident	65 Å²	65	44.6 Å²	44.6	30%	0.304	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-40.3	175.4	-172.9	173.5	-170.5	0	0	111.6	N689 D752 A758 L784	N689-E754 PolarHBondContact ND2-OE1 3.32Å; D752-E754 VanDerWaalsContact C-N 3.28Å; D752-E754 PolarHBondContact O-N 3.4Å; E754-A758 VanDerWaalsContact O-CB 3.25Å; E754-A758 WeakPolarHBondContact O-CB 3.27Å; E754-A758 PolarHBondContact O-N 3.13Å; E754-L784 HydrophobicContact CG-CD1 4.34Å
755	F	84.8	Confident	84.2	Confident	141 Å²	141	47.6 Å²	47.6	62%	0.618	25%	0.251	S	S	*	.	H	α-helix	trans	-66.8	-42.5	174.6	177.9	-103	0	0	0	111.7	D752 M753 A758 Q759	D752-F755 WeakPolarHBondContact O-CB 3.17Å; D752-F755 PolarHBondContact O-N 3.49Å; D752-F755 VanDerWaalsContact O-N 3.13Å; M753-F755 VanDerWaalsContact C-N 3.3Å; M753-F755 PolarHBondContact O-N 3.29Å; F755-A758 PolarHBondContact O-N 3.32Å; F755-Q759 HydrophobicContact CE1-CG 4.43Å; F755-Q759 WeakPolarHBondContact O-CG 3.41Å; F755-Q759 PolarHBondContact O-N 3.41Å
756	L	86	Confident	83.7	Confident	31 Å²	31	49.1 Å²	49.1	16%	0.162	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-44.5	177.6	-71.5	176.3	0	0	0	111.8	D752 M753 A758 Q759 Q762	D752-L756 WeakPolarHBondContact O-CG 3.45Å; D752-L756 PolarHBondContact O-N 3.46Å; M753-L756 PolarHBondContact O-N 3.33Å; M753-L756 HydrophobicContact SD-CD1 3.9Å; L756-A758 VanDerWaalsContact C-N 3.35Å; L756-Q759 PolarHBondContact O-N 3.33Å; L756-Q762 WeakPolarHBondContact O-CG 3.3Å
757	W	88.3	Confident	83.5	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-32.6	176.7	-65.9	-36.7	0	0	0	112.9	A55 T56 M753 Q759 I763 A772 L774 R782 L784	A55-W757 VanDerWaalsContact O-CD1 3.24Å; A55-W757 PolarHBondContact O-NE1 3.43Å; T56-W757 PolarHBondContact O-NE1 3.06Å; T56-W757 VanDerWaalsContact O-NE1 3.12Å; M753-W757 HydrophobicContact CB-CZ3 4.46Å; M753-W757 HydrophobicContact CE-CZ2 3.75Å; M753-W757 PolarHBondContact O-N 3.17Å; W757-Q759 VanDerWaalsContact C-N 3.27Å; W757-Q759 PolarHBondContact O-N 2.61Å; W757-I763 HydrophobicContact CB-CD1 4.09Å; W757-A772 HydrophobicContact CD2-CB 4.04Å; W757-A772 HydrophobicContact CG-CB 4.19Å; W757-A772 HydrophobicContact CZ2-CB 4.36Å; W757-L774 HydrophobicContact CH2-CB 4.01Å; W757-L774 HydrophobicContact CH2-CD2 3.48Å; W757-L774 VanDerWaalsContact CH2-CD2 3.48Å; W757-L774 HydrophobicContact CH2-CG 3.85Å; W757-L774 HydrophobicContact CZ2-CB 4.21Å; W757-L774 HydrophobicContact CZ2-CD2 3.89Å; W757-L774 HydrophobicContact CZ2-CG 4.42Å; W757-L774 HydrophobicContact CZ3-CD2 4.3Å; W757-R782 HydrophobicContact CZ3-CB 4.5Å; W757-L784 HydrophobicContact CB-CB 4.42Å; W757-L784 HydrophobicContact CB-CD2 3.5Å; W757-L784 HydrophobicContact CE3-CB 3.77Å; W757-L784 HydrophobicContact CZ3-CB 4.4Å
758	A	84.4	Confident	83.3	Confident	67 Å²	67	51.7 Å²	51.7	55%	0.554	28%	0.275	S	S	*	.	H	α-helix	trans	-74.5	-11.6	178.2	0	0	0	0	0	114.1	E754 F755 L756 K760 L784	E754-A758 VanDerWaalsContact O-CB 3.25Å; E754-A758 WeakPolarHBondContact O-CB 3.27Å; E754-A758 PolarHBondContact O-N 3.13Å; F755-A758 PolarHBondContact O-N 3.32Å; L756-A758 VanDerWaalsContact C-N 3.35Å; A758-K760 PolarHBondContact O-N 2.84Å; A758-L784 HydrophobicContact CB-CD2 4.36Å
759	Q	83.6	Confident	83.4	Confident	78 Å²	78	50.4 Å²	50.4	36%	0.364	27%	0.269	S	S	.	.	S	Bend	trans	-63.2	132.9	177	-75.1	178.1	9.5	0	0	111.2	F755 L756 W757 G761 Q762	F755-Q759 HydrophobicContact CE1-CG 4.43Å; F755-Q759 WeakPolarHBondContact O-CG 3.41Å; F755-Q759 PolarHBondContact O-N 3.41Å; L756-Q759 PolarHBondContact O-N 3.33Å; W757-Q759 VanDerWaalsContact C-N 3.27Å; W757-Q759 PolarHBondContact O-N 2.61Å; Q759-G761 PolarHBondContact O-N 3.01Å; Q759-Q762 HydrophobicContact CB-CG 3.93Å; Q759-Q762 WeakPolarHBondContact O-CB 3.49Å; Q759-Q762 PolarHBondContact O-N 3.03Å; Q759-Q762 VanDerWaalsContact O-N 3.07Å
760	K	68.4	Low	83.3	Confident	218 Å²	218	50.4 Å²	50.4	95%	0.948	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	124.1	-178.1	-170.8	177.1	-178	177.6	0	110.6	A758	A758-K760 PolarHBondContact O-N 2.84Å
761	G	69.1	Low	83.2	Confident	47 Å²	47	50.4 Å²	50.4	49%	0.485	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-1.9	179.3	0	0	0	0	0	115.1	Q54 Q759	Q54-G761 PolarHBondContact NE2-O 3.23Å; Q759-G761 PolarHBondContact O-N 3.01Å
762	Q	78	Confident	83.4	Confident	36 Å²	36	49.1 Å²	49.1	17%	0.168	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-50.5	173.9	-73.3	-70.2	16.3	0	0	112.4	Q54 A55 Q57 L756 Q759	Q54-Q762 PolarHBondContact O-OE1 2.93Å; A55-Q762 WeakPolarHBondContact CA-O 3.08Å; Q57-Q762 VanDerWaalsContact NE2-CD 3.33Å; L756-Q762 WeakPolarHBondContact O-CG 3.3Å; Q759-Q762 HydrophobicContact CB-CG 3.93Å; Q759-Q762 WeakPolarHBondContact O-CB 3.49Å; Q759-Q762 PolarHBondContact O-N 3.03Å; Q759-Q762 VanDerWaalsContact O-N 3.07Å
763	I	79.7	Confident	83.7	Confident	17 Å²	17	45 Å²	45	9%	0.087	24%	0.238	C	C	.	.	S	Bend	trans	-93.2	104.6	169	-61.7	175.8	0	0	0	107.6	W757 Q765 I769 A772 L784 T786	W757-I763 HydrophobicContact CB-CD1 4.09Å; I763-Q765 PolarHBondContact O-N 3.28Å; I763-Q765 VanDerWaalsContact O-N 3.08Å; I763-I769 HydrophobicContact CG2-CB 4.01Å; I763-I769 HydrophobicContact CG2-CG2 3.74Å; I763-A772 HydrophobicContact CD1-CB 3.99Å; I763-L784 HydrophobicContact CD1-CD2 4.19Å; I763-T786 HydrophobicContact CB-CG2 4.41Å; I763-T786 HydrophobicContact CD1-CG2 3.73Å; I763-T786 HydrophobicContact CG2-CG2 4.24Å
764	D	80.1	Confident	83.9	Confident	62 Å²	62	45 Å²	45	33%	0.332	24%	0.238	S	C	.	.			trans	-77.6	92.4	174	-170.9	-4.4	0	0	0	110	S766 K767	D764-S766 PolarHBondContact O-N 3.28Å; D764-S766 VanDerWaalsContact O-N 3.13Å; D764-S766 VanDerWaalsContact OD1-CB 3.23Å; D764-S766 WeakPolarHBondContact OD1-CB 3.41Å; D764-S766 PolarHBondContact OD1-N 2.93Å; D764-S766 PolarHBondContact OD1-OG 3.36Å; D764-S766 PolarHBondContact OD2-OG 3.49Å; D764-K767 HydrophobicContact CB-CB 4.48Å; D764-K767 HydrophobicContact CB-CG 4.01Å; D764-K767 WeakPolarHBondContact O-CB 3.44Å; D764-K767 PolarHBondContact O-N 2.84Å; D764-K767 WeakPolarHBondContact OD2-CG 3.36Å
765	Q	78.1	Confident	84.4	Confident	64 Å²	64	42 Å²	42	30%	0.299	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.2	-24.7	175.8	-70.7	-173.6	-17.5	0	0	113.3	I763 K767 G768 G787 L788 Y863	I763-Q765 PolarHBondContact O-N 3.28Å; I763-Q765 VanDerWaalsContact O-N 3.08Å; Q765-K767 PolarHBondContact O-N 3.05Å; Q765-G768 PolarHBondContact O-N 3.47Å; Q765-G768 VanDerWaalsContact O-N 3.08Å; Q765-G787 PolarHBondContact NE2-O 3.27Å; Q765-L788 HydrophobicContact CB-CD2 3.43Å; Q765-L788 VanDerWaalsContact CB-CD2 3.43Å; Q765-L788 HydrophobicContact CG-CD2 3.58Å; Q765-Y863 PolarHBondContact O-OH 2.94Å
766	S	78	Confident	84.8	Confident	59 Å²	59	35.2 Å²	35.2	41%	0.413	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-67.7	-24.9	176.1	78.1	0	0	0	0	112.3	D764 G768	D764-S766 PolarHBondContact O-N 3.28Å; D764-S766 VanDerWaalsContact O-N 3.13Å; D764-S766 VanDerWaalsContact OD1-CB 3.23Å; D764-S766 WeakPolarHBondContact OD1-CB 3.41Å; D764-S766 PolarHBondContact OD1-N 2.93Å; D764-S766 PolarHBondContact OD1-OG 3.36Å; D764-S766 PolarHBondContact OD2-OG 3.49Å; S766-G768 PolarHBondContact O-N 3.03Å
767	K	85.4	Confident	85	Confident	55 Å²	55	34 Å²	34	24%	0.239	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-82.9	7.1	173.4	-58.8	-55.6	-162.5	168.1	0	113	E47 T51 D764 Q765 I769 M899 S903 M907	E47-K767 IonicContact OE1-NZ 3.45Å; E47-K767 PolarHBondContact OE1-NZ 2.94Å; T51-K767 HydrophobicContact CG2-CB 3.93Å; T51-K767 HydrophobicContact CG2-CG 3.88Å; D764-K767 HydrophobicContact CB-CB 4.48Å; D764-K767 HydrophobicContact CB-CG 4.01Å; D764-K767 WeakPolarHBondContact O-CB 3.44Å; D764-K767 PolarHBondContact O-N 2.84Å; D764-K767 WeakPolarHBondContact OD2-CG 3.36Å; Q765-K767 PolarHBondContact O-N 3.05Å; K767-I769 VanDerWaalsContact C-N 3.29Å; K767-I769 PolarHBondContact O-N 3.25Å; K767-M899 WeakPolarHBondContact O-CE 3.5Å; K767-S903 WeakPolarHBondContact O-CB 3.24Å; K767-M907 HydrophobicContact CB-CE 3.7Å; K767-M907 HydrophobicContact CD-CE 3.66Å; K767-M907 HydrophobicContact CG-CE 3.98Å
768	G	85.9	Confident	85	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	15.5	176.6	0	0	0	0	0	114.6	Q765 S766 H770 M899 L900 S903	Q765-G768 PolarHBondContact O-N 3.47Å; Q765-G768 VanDerWaalsContact O-N 3.08Å; S766-G768 PolarHBondContact O-N 3.03Å; G768-H770 PolarHBondContact O-N 2.64Å; G768-M899 CarbonylContact O-C 3.55Å; G768-M899 WeakPolarHBondContact O-CA 3.42Å; G768-L900 PolarHBondContact O-N 3.31Å; G768-S903 WeakPolarHBondContact CA-OG 3.2Å
769	I	90.1	Very high	85.3	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	120.5	173.7	-61.3	173.2	0	0	0	108.5	T51 A55 I763 K767 I897 M899	T51-I769 HydrophobicContact CG2-CD1 3.78Å; A55-I769 HydrophobicContact CB-CD1 3.67Å; I763-I769 HydrophobicContact CG2-CB 4.01Å; I763-I769 HydrophobicContact CG2-CG2 3.74Å; K767-I769 VanDerWaalsContact C-N 3.29Å; K767-I769 PolarHBondContact O-N 3.25Å; I769-I897 HydrophobicContact CD1-CD1 3.72Å; I769-I897 HydrophobicContact CG1-CD1 4.08Å; I769-I897 HydrophobicContact CG2-CB 4.24Å; I769-I897 HydrophobicContact CG2-CG2 4.17Å; I769-M899 HydrophobicContact CG1-CB 3.96Å
770	H	87.8	Confident	85.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-13	177.5	68.8	-88.1	0	0	0	113.2	G768 T785 T786 L788 Y793 Y817 E898	G768-H770 PolarHBondContact O-N 2.64Å; H770-T785 CarbonylContact O-C 3.49Å; H770-T785 WeakPolarHBondContact O-CA 3.48Å; H770-T786 PolarHBondContact O-N 3.06Å; H770-T786 PolarHBondContact O-OG1 2.99Å; H770-L788 HydrophobicContact CB-CD1 3.86Å; H770-L788 HydrophobicContact CB-CG 4.18Å; H770-Y793 AromaticContact CD2-CE1 4Å; H770-Y817 AromaticContact NE2-CZ 3.87Å; H770-Y817 PolarHBondContact NE2-OH 3.4Å; H770-E898 WeakPolarHBondContact CE1-CB 3.41Å; H770-E898 IonicContact CE1-OE2 2.74Å; H770-E898 PolarHBondContact N-O 3.48Å; H770-E898 VanDerWaalsContact N-O 3.13Å; H770-E898 PolarHBondContact ND1-O 3.35Å; H770-E898 WeakPolarHBondContact NE2-CB 3.26Å; H770-E898 IonicContact NE2-OE2 2.65Å; H770-E898 PolarHBondContact NE2-OE2 2.83Å
771	M	89.8	Confident	87	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139.1	179.7	-170.2	-171.9	-78.4	0	0	112	L784 T785 Y817 F820 I897 E898	M771-L784 WeakPolarHBondContact CA-O 3.15Å; M771-T785 HydrophobicContact CE-CG2 3.43Å; M771-T785 VanDerWaalsContact CE-CG2 3.43Å; M771-T785 HydrophobicContact CG-CG2 4.22Å; M771-Y817 WeakPolarHBondContact CE-OH 3.5Å; M771-F820 HydrophobicContact CE-CB 3.73Å; M771-F820 HydrophobicContact SD-CB 3.26Å; M771-F820 WeakPolarHBondContact SD-CB 3.29Å; M771-F820 HydrophobicContact SD-CG 4Å; M771-I897 CarbonylContact O-C 3.31Å; M771-I897 VanDerWaalsContact O-CA 3.23Å; M771-I897 WeakPolarHBondContact O-CA 3.27Å; M771-I897 WeakPolarHBondContact O-CB 3.37Å; M771-E898 HydrophobicContact CB-CB 4.09Å; M771-E898 HydrophobicContact CB-CG 4.45Å; M771-E898 PolarHBondContact N-O 3.48Å; M771-E898 PolarHBondContact O-N 3.01Å; M771-E898 HydrophobicContact SD-CG 4.37Å
772	A	93.2	Very high	88.1	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.2	161.8	0	0	0	0	0	109.4	W757 I763 F783 L784 G896 I897	W757-A772 HydrophobicContact CD2-CB 4.04Å; W757-A772 HydrophobicContact CG-CB 4.19Å; W757-A772 HydrophobicContact CZ2-CB 4.36Å; I763-A772 HydrophobicContact CD1-CB 3.99Å; A772-F783 CarbonylContact O-C 3.59Å; A772-F783 VanDerWaalsContact O-CA 3.3Å; A772-F783 WeakPolarHBondContact O-CA 3.2Å; A772-L784 PolarHBondContact N-O 3.37Å; A772-L784 PolarHBondContact O-N 2.64Å; A772-G896 WeakPolarHBondContact CA-O 3.38Å; A772-I897 HydrophobicContact CB-CG2 4.27Å
773	F	93.8	Very high	88.7	Confident	1 Å²	1	14.3 Å²	14.3	0%	0.004	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	159.3	179.6	66	-96.4	0	0	0	112.2	R782 F783 F820 F832 V895 G896	F773-R782 CarbonylContact C-O 3.55Å; F773-R782 VanDerWaalsContact CA-O 3.31Å; F773-R782 WeakPolarHBondContact CA-O 3.34Å; F773-F783 HydrophobicContact CB-CB 4.13Å; F773-F820 HydrophobicContact CB-CD1 4.11Å; F773-F820 HydrophobicContact CB-CE1 4.02Å; F773-F820 HydrophobicContact CD1-CD1 4.18Å; F773-F820 HydrophobicContact CD1-CD2 4.15Å; F773-F820 HydrophobicContact CD1-CE1 4.03Å; F773-F820 AromaticContact CD1-CE2 3.99Å; F773-F820 HydrophobicContact CD1-CE2 3.99Å; F773-F820 HydrophobicContact CD1-CG 4.25Å; F773-F820 AromaticContact CD1-CZ 3.93Å; F773-F820 HydrophobicContact CD1-CZ 3.93Å; F773-F820 HydrophobicContact CD2-CD1 4.38Å; F773-F820 AromaticContact CD2-CE1 3.54Å; F773-F820 HydrophobicContact CD2-CE1 3.54Å; F773-F820 HydrophobicContact CD2-CE2 4.3Å; F773-F820 AromaticContact CD2-CZ 3.49Å; F773-F820 HydrophobicContact CD2-CZ 3.49Å; F773-F820 VanDerWaalsContact CD2-CZ 3.49Å; F773-F820 HydrophobicContact CE1-CD2 4.05Å; F773-F820 HydrophobicContact CE1-CE1 4.39Å; F773-F820 AromaticContact CE1-CE2 3.62Å; F773-F820 HydrophobicContact CE1-CE2 3.62Å; F773-F820 AromaticContact CE1-CZ 3.82Å; F773-F820 HydrophobicContact CE1-CZ 3.82Å; F773-F820 AromaticContact CE2-CE1 3.95Å; F773-F820 HydrophobicContact CE2-CE1 3.95Å; F773-F820 AromaticContact CE2-CE2 3.97Å; F773-F820 HydrophobicContact CE2-CE2 3.97Å; F773-F820 AromaticContact CE2-CZ 3.37Å; F773-F820 HydrophobicContact CE2-CZ 3.37Å; F773-F820 AromaticContact CG-CD1 3.98Å; F773-F820 HydrophobicContact CG-CD1 3.98Å; F773-F820 AromaticContact CG-CE1 3.59Å; F773-F820 HydrophobicContact CG-CE1 3.59Å; F773-F820 HydrophobicContact CG-CE2 4.31Å; F773-F820 AromaticContact CG-CZ 3.78Å; F773-F820 HydrophobicContact CG-CZ 3.78Å; F773-F820 HydrophobicContact CZ-CD2 4.47Å; F773-F820 HydrophobicContact CZ-CE1 4.35Å; F773-F820 AromaticContact CZ-CE2 3.61Å; F773-F820 HydrophobicContact CZ-CE2 3.61Å; F773-F820 AromaticContact CZ-CZ 3.53Å; F773-F820 HydrophobicContact CZ-CZ 3.53Å; F773-F832 HydrophobicContact CD2-CE2 4.49Å; F773-F832 HydrophobicContact CE2-CD2 4.01Å; F773-F832 AromaticContact CE2-CE2 3.76Å; F773-F832 HydrophobicContact CE2-CE2 3.76Å; F773-F832 HydrophobicContact CE2-CZ 4.45Å; F773-F832 HydrophobicContact CZ-CD2 4.45Å; F773-V895 WeakPolarHBondContact O-CA 3.44Å; F773-G896 VanDerWaalsContact CE1-C 3.43Å; F773-G896 VanDerWaalsContact CZ-CA 3.49Å; F773-G896 PolarHBondContact N-O 3.01Å; F773-G896 PolarHBondContact O-N 3.18Å
774	L	94.4	Very high	89.2	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141	167.7	71.8	92.1	0	0	0	108.9	T750 M753 W757 T776 T781 R782 V894 V895	T750-L774 HydrophobicContact CG2-CD1 3.73Å; T750-L774 HydrophobicContact CG2-CD2 4.17Å; M753-L774 HydrophobicContact CB-CD2 3.73Å; M753-L774 HydrophobicContact CE-CD2 4.22Å; M753-L774 HydrophobicContact CG-CD2 3.65Å; W757-L774 HydrophobicContact CH2-CB 4.01Å; W757-L774 HydrophobicContact CH2-CD2 3.48Å; W757-L774 VanDerWaalsContact CH2-CD2 3.48Å; W757-L774 HydrophobicContact CH2-CG 3.85Å; W757-L774 HydrophobicContact CZ2-CB 4.21Å; W757-L774 HydrophobicContact CZ2-CD2 3.89Å; W757-L774 HydrophobicContact CZ2-CG 4.42Å; W757-L774 HydrophobicContact CZ3-CD2 4.3Å; L774-T776 HydrophobicContact CD1-CG2 3.69Å; L774-T781 CarbonylContact O-C 3.54Å; L774-T781 VanDerWaalsContact O-CA 3.27Å; L774-T781 WeakPolarHBondContact O-CA 3.12Å; L774-R782 HydrophobicContact CD1-CB 4.18Å; L774-R782 HydrophobicContact CD1-CG 4.23Å; L774-R782 HydrophobicContact CD2-CB 4.07Å; L774-R782 HydrophobicContact CG-CB 3.86Å; L774-R782 HydrophobicContact CG-CG 4.41Å; L774-R782 PolarHBondContact N-O 2.9Å; L774-R782 PolarHBondContact O-N 3.43Å; L774-V894 CarbonylContact C-O 3.57Å; L774-V894 WeakPolarHBondContact CA-O 3.33Å; L774-V895 HydrophobicContact CB-CG1 4.03Å
775	A	94.3	Very high	89.4	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.9	171.4	0	0	0	0	0	108.5	L780 A827 F832 Y833 S893 V894	A775-L780 CarbonylContact C-O 3.59Å; A775-L780 WeakPolarHBondContact CA-O 3.21Å; A775-A827 HydrophobicContact CB-CB 4.06Å; A775-F832 HydrophobicContact CB-CE2 4.21Å; A775-F832 HydrophobicContact CB-CZ 3.93Å; A775-Y833 HydrophobicContact CB-CD2 4Å; A775-Y833 HydrophobicContact CB-CE2 4.23Å; A775-Y833 WeakPolarHBondContact O-CE2 3.32Å; A775-S893 CarbonylContact O-C 3.57Å; A775-S893 VanDerWaalsContact O-CA 3.27Å; A775-S893 WeakPolarHBondContact O-CA 2.94Å; A775-S893 VanDerWaalsContact O-CB 3.26Å; A775-S893 WeakPolarHBondContact O-CB 3.27Å; A775-V894 PolarHBondContact N-O 2.91Å; A775-V894 PolarHBondContact O-N 2.99Å
776	T	92.5	Very high	89.4	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	164.8	-178	81.5	0	0	0	0	111.9	D746 T750 L774 S778 G779 L780	D746-T776 HydrophobicContact CB-CG2 4.1Å; D746-T776 WeakPolarHBondContact OD2-CB 3.48Å; D746-T776 PolarHBondContact OD2-OG1 2.95Å; T750-T776 HydrophobicContact CG2-CG2 4.13Å; L774-T776 HydrophobicContact CD1-CG2 3.69Å; T776-S778 PolarHBondContact O-N 3.19Å; T776-S778 PolarHBondContact OG1-N 3.41Å; T776-S778 PolarHBondContact OG1-OG 2.75Å; T776-G779 PolarHBondContact O-N 3.01Å; T776-L780 HydrophobicContact CG2-CB 4.36Å; T776-L780 PolarHBondContact N-O 2.77Å; T776-L780 WeakPolarHBondContact OG1-CB 3.32Å
777	H	89.6	Confident	88.9	Confident	6 Å²	6	11.8 Å²	11.8	3%	0.028	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.5	178.7	-162.3	-81.3	0	0	0	114.1	Y518 L520 G779 L828 Y833 A892	Y518-H777 PolarHBondContact O-CE1 2.63Å; Y518-H777 VanDerWaalsContact O-CE1 3.32Å; L520-H777 PolarHBondContact O-CE1 2.91Å; L520-H777 VanDerWaalsContact O-CE1 3.23Å; L520-H777 PolarHBondContact O-NE2 2.99Å; H777-G779 PolarHBondContact O-N 2.85Å; H777-L828 VanDerWaalsContact CD2-CD1 3.5Å; H777-L828 WeakPolarHBondContact CD2-CD1 3.36Å; H777-L828 WeakPolarHBondContact NE2-CD1 3.39Å; H777-Y833 PolarHBondContact N-OH 3.33Å; H777-A892 PolarHBondContact N-O 3.08Å
778	S	89.6	Confident	88.1	Confident	1 Å²	1	9.3 Å²	9.3	1%	0.007	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	1.6	176.2	56.4	0	0	0	0	114.2	W696 Y698 D746 T776	W696-S778 WeakPolarHBondContact CZ3-O 3.45Å; Y698-S778 WeakPolarHBondContact CE1-O 3.17Å; Y698-S778 PolarHBondContact OH-O 2.84Å; D746-S778 WeakPolarHBondContact OD2-CB 3.46Å; D746-S778 PolarHBondContact OD2-N 3.21Å; D746-S778 PolarHBondContact OD2-OG 3.22Å; T776-S778 PolarHBondContact O-N 3.19Å; T776-S778 PolarHBondContact OG1-N 3.41Å; T776-S778 PolarHBondContact OG1-OG 2.75Å
779	G	90.8	Very high	87.3	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	85.3	8	-177.1	0	0	0	0	0	114.2	L692 H693 T776 H777	L692-G779 CarbonylContact C-O 3.52Å; H693-G779 PolarHBondContact N-O 3.44Å; H693-G779 VanDerWaalsContact N-O 3.1Å; T776-G779 PolarHBondContact O-N 3.01Å; H777-G779 PolarHBondContact O-N 2.85Å
780	L	92.7	Very high	86.5	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.102	C	C	.	.			trans	-76.6	125	172.2	173.3	60.6	0	0	0	110.1	W690 L692 L743 D746 M747 A775 T776 R782	W690-L780 HydrophobicContact CB-CD1 4.24Å; W690-L780 HydrophobicContact CE3-CD1 4.08Å; L692-L780 HydrophobicContact CD2-CD1 4.4Å; L743-L780 HydrophobicContact CD1-CB 3.77Å; D746-L780 HydrophobicContact CB-CD2 4.3Å; M747-L780 HydrophobicContact CE-CD1 3.42Å; M747-L780 VanDerWaalsContact CE-CD1 3.42Å; M747-L780 HydrophobicContact CE-CD2 4.06Å; M747-L780 HydrophobicContact CE-CG 4.29Å; M747-L780 HydrophobicContact CG-CD2 3.96Å; M747-L780 HydrophobicContact SD-CD1 3.91Å; M747-L780 HydrophobicContact SD-CD2 3.61Å; M747-L780 HydrophobicContact SD-CG 4.4Å; A775-L780 CarbonylContact C-O 3.59Å; A775-L780 WeakPolarHBondContact CA-O 3.21Å; T776-L780 HydrophobicContact CG2-CB 4.36Å; T776-L780 PolarHBondContact N-O 2.77Å; T776-L780 WeakPolarHBondContact OG1-CB 3.32Å; L780-R782 HydrophobicContact CD1-CG 4.23Å; L780-R782 HydrophobicContact CG-CG 4.3Å
781	T	93.4	Very high	85.9	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.8	168.2	-57.6	0	0	0	0	109	W690 K691 L774 F820	W690-T781 CarbonylContact C-O 3.52Å; W690-T781 WeakPolarHBondContact CA-O 3.46Å; K691-T781 PolarHBondContact N-O 3.1Å; K691-T781 PolarHBondContact O-N 2.95Å; L774-T781 CarbonylContact O-C 3.54Å; L774-T781 VanDerWaalsContact O-CA 3.27Å; L774-T781 WeakPolarHBondContact O-CA 3.12Å; T781-F820 HydrophobicContact CG2-CE1 4.43Å
782	R	92.5	Very high	85.2	Confident	9 Å²	9	18.9 Å²	18.9	3%	0.034	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.5	167.4	-56.3	-179.1	171.9	-95.9	0	109.7	W684 N689 W690 M747 T750 W757 F773 L774 L780	W684-R782 PolarHBondContact O-NH1 3.24Å; W684-R782 PolarHBondContact O-NH2 3.3Å; N689-R782 WeakPolarHBondContact O-CA 3.43Å; W690-R782 HydrophobicContact CB-CG 4.03Å; M747-R782 PolarHBondContact SD-NH2 2.82Å; T750-R782 PolarHBondContact OG1-NE 3.48Å; W757-R782 HydrophobicContact CZ3-CB 4.5Å; F773-R782 CarbonylContact C-O 3.55Å; F773-R782 VanDerWaalsContact CA-O 3.31Å; F773-R782 WeakPolarHBondContact CA-O 3.34Å; L774-R782 HydrophobicContact CD1-CB 4.18Å; L774-R782 HydrophobicContact CD1-CG 4.23Å; L774-R782 HydrophobicContact CD2-CB 4.07Å; L774-R782 HydrophobicContact CG-CB 3.86Å; L774-R782 HydrophobicContact CG-CG 4.41Å; L774-R782 PolarHBondContact N-O 2.9Å; L774-R782 PolarHBondContact O-N 3.43Å; L780-R782 HydrophobicContact CD1-CG 4.23Å; L780-R782 HydrophobicContact CG-CG 4.3Å
783	F	91.2	Very high	84.4	Confident	25 Å²	25	21.9 Å²	21.9	11%	0.11	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	148.6	-177.9	57.8	-84.2	0	0	0	110.7	N689 K691 A772 F773 A821	N689-F783 VanDerWaalsContact CB-O 3.28Å; N689-F783 WeakPolarHBondContact CB-O 2.94Å; N689-F783 PolarHBondContact O-N 2.94Å; K691-F783 HydrophobicContact CG-CE1 4.2Å; A772-F783 CarbonylContact O-C 3.59Å; A772-F783 VanDerWaalsContact O-CA 3.3Å; A772-F783 WeakPolarHBondContact O-CA 3.2Å; F773-F783 HydrophobicContact CB-CB 4.13Å; F783-A821 HydrophobicContact CD1-CB 3.4Å; F783-A821 HydrophobicContact CD2-CB 4.47Å; F783-A821 HydrophobicContact CE1-CB 3.27Å; F783-A821 HydrophobicContact CE2-CB 4.37Å; F783-A821 HydrophobicContact CG-CB 4.02Å; F783-A821 HydrophobicContact CZ-CB 3.8Å
784	L	90.2	Very high	83.3	Confident	20 Å²	20	28.4 Å²	28.4	11%	0.105	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	117.2	170.1	-179.4	68.3	0	0	0	108.3	E754 W757 A758 I763 M771 A772 T786	E754-L784 HydrophobicContact CG-CD1 4.34Å; W757-L784 HydrophobicContact CB-CB 4.42Å; W757-L784 HydrophobicContact CB-CD2 3.5Å; W757-L784 HydrophobicContact CE3-CB 3.77Å; W757-L784 HydrophobicContact CZ3-CB 4.4Å; A758-L784 HydrophobicContact CB-CD2 4.36Å; I763-L784 HydrophobicContact CD1-CD2 4.19Å; M771-L784 WeakPolarHBondContact CA-O 3.15Å; A772-L784 PolarHBondContact N-O 3.37Å; A772-L784 PolarHBondContact O-N 2.64Å; L784-T786 HydrophobicContact CD2-CG2 4.33Å; L784-T786 HydrophobicContact CG-CG2 4.46Å
785	T	84.4	Confident	82	Confident	62 Å²	62	30.7 Å²	30.7	38%	0.38	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.2	169.3	50.9	0	0	0	0	108.9	H770 M771	H770-T785 CarbonylContact O-C 3.49Å; H770-T785 WeakPolarHBondContact O-CA 3.48Å; M771-T785 HydrophobicContact CE-CG2 3.43Å; M771-T785 VanDerWaalsContact CE-CG2 3.43Å; M771-T785 HydrophobicContact CG-CG2 4.22Å
786	T	77.4	Confident	80.5	Confident	23 Å²	23	37.3 Å²	37.3	14%	0.141	20%	0.2	C	C	.	.			trans	-89.6	106.9	167.4	52.5	0	0	0	0	107.4	I763 H770 L784 L788	I763-T786 HydrophobicContact CB-CG2 4.41Å; I763-T786 HydrophobicContact CD1-CG2 3.73Å; I763-T786 HydrophobicContact CG2-CG2 4.24Å; H770-T786 PolarHBondContact O-N 3.06Å; H770-T786 PolarHBondContact O-OG1 2.99Å; L784-T786 HydrophobicContact CD2-CG2 4.33Å; L784-T786 HydrophobicContact CG-CG2 4.46Å; T786-L788 PolarHBondContact O-N 2.88Å
787	G	67.4	Low	78.9	Confident	44 Å²	44	48 Å²	48	45%	0.454	24%	0.241	S	C	.	.			trans	-55.4	123.8	171	0	0	0	0	0	109.4	Q765	Q765-G787 PolarHBondContact NE2-O 3.27Å
788	L	69.4	Low	77.1	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	28%	0.275	C	S	.	.			trans	-86.2	123.9	167.4	-68.6	176.4	0	0	0	106.3	Q765 H770 T786 D790 I791 L900	Q765-L788 HydrophobicContact CB-CD2 3.43Å; Q765-L788 VanDerWaalsContact CB-CD2 3.43Å; Q765-L788 HydrophobicContact CG-CD2 3.58Å; H770-L788 HydrophobicContact CB-CD1 3.86Å; H770-L788 HydrophobicContact CB-CG 4.18Å; T786-L788 PolarHBondContact O-N 2.88Å; L788-D790 PolarHBondContact O-N 3.19Å; L788-I791 HydrophobicContact CB-CB 4.02Å; L788-I791 HydrophobicContact CB-CD1 3.58Å; L788-I791 HydrophobicContact CB-CG1 3.61Å; L788-I791 HydrophobicContact CD1-CD1 3.27Å; L788-I791 HydrophobicContact CD1-CG1 4.23Å; L788-I791 HydrophobicContact CG-CD1 3.93Å; L788-I791 HydrophobicContact CG-CG1 4.5Å; L788-I791 PolarHBondContact O-N 2.68Å; L788-L900 HydrophobicContact CD1-CD1 4.39Å
789	D	68	Low	75.1	Confident	115 Å²	115	62 Å²	62	62%	0.615	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27	-173.7	-64.1	-36.8	0	0	0	113.4	R857	D789-R857 WeakPolarHBondContact O-CD 3.25Å; D789-R857 PolarHBondContact O-NH1 3.07Å
790	D	74.1	Confident	73	Confident	44 Å²	44	70.9 Å²	70.9	24%	0.235	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1.2	-179.5	-67.2	-11.2	0	0	0	113.5	L788 I856 R857 S860 Y863	L788-D790 PolarHBondContact O-N 3.19Å; D790-I856 CarbonylContact O-C 3.47Å; D790-I856 WeakPolarHBondContact O-CA 3.36Å; D790-R857 PolarHBondContact O-N 3.49Å; D790-S860 WeakPolarHBondContact OD2-CB 3.39Å; D790-S860 PolarHBondContact OD2-OG 2.89Å; D790-Y863 HydrophobicContact CB-CE2 4.35Å
791	I	76.4	Confident	70.4	Confident	10 Å²	10	74.8 Å²	74.8	5%	0.051	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.5	-174.9	-59.4	-172.9	0	0	0	112.1	L788 L854 Y855 L900	L788-I791 HydrophobicContact CB-CB 4.02Å; L788-I791 HydrophobicContact CB-CD1 3.58Å; L788-I791 HydrophobicContact CB-CG1 3.61Å; L788-I791 HydrophobicContact CD1-CD1 3.27Å; L788-I791 HydrophobicContact CD1-CG1 4.23Å; L788-I791 HydrophobicContact CG-CD1 3.93Å; L788-I791 HydrophobicContact CG-CG1 4.5Å; L788-I791 PolarHBondContact O-N 2.68Å; I791-L854 HydrophobicContact CG2-CB 4.09Å; I791-L854 HydrophobicContact CG2-CD2 4.26Å; I791-Y855 CarbonylContact C-O 3.55Å; I791-Y855 WeakPolarHBondContact CA-O 3.35Å; I791-L900 HydrophobicContact CD1-CD1 3.67Å; I791-L900 HydrophobicContact CD1-CD2 3.6Å; I791-L900 HydrophobicContact CD1-CG 3.9Å
792	L	74.1	Confident	67.7	Low	32 Å²	32	83 Å²	83	17%	0.168	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.1	171.3	-61.1	164	0	0	0	108.5	Q794 E796 Y855 R857	L792-Q794 WeakPolarHBondContact CB-O 3.42Å; L792-Q794 PolarHBondContact O-N 3.34Å; L792-E796 HydrophobicContact CD1-CG 3.85Å; L792-Y855 PolarHBondContact N-O 3.38Å; L792-Y855 PolarHBondContact O-N 3.11Å; L792-R857 HydrophobicContact CD1-CG 3.84Å; L792-R857 HydrophobicContact CD2-CG 4.28Å; L792-R857 HydrophobicContact CG-CG 3.79Å
793	Y	75.8	Confident	65.3	Low	64 Å²	64	87.3 Å²	87.3	25%	0.251	47%	0.465	S	S	.	.	S	Bend	trans	-79.1	-7.7	176.5	-65.6	-85.6	0	0	0	112.9	H770 Y817 L854	H770-Y793 AromaticContact CD2-CE1 4Å; Y793-Y817 AromaticContact CD1-CD1 3.54Å; Y793-Y817 HydrophobicContact CD1-CD1 3.54Å; Y793-Y817 AromaticContact CD1-CE1 3.62Å; Y793-Y817 HydrophobicContact CD1-CE1 3.62Å; Y793-Y817 HydrophobicContact CD1-CG 4.28Å; Y793-Y817 HydrophobicContact CE1-CD1 4.3Å; Y793-Y817 AromaticContact CE1-CE1 3.94Å; Y793-Y817 HydrophobicContact CE1-CE1 3.94Å; Y793-Y817 HydrophobicContact CG-CD1 4.47Å; Y793-L854 HydrophobicContact CD1-CD2 3.5Å; Y793-L854 VanDerWaalsContact CD1-CD2 3.5Å; Y793-L854 HydrophobicContact CE1-CD2 3.84Å; Y793-L854 HydrophobicContact CG-CD2 4.38Å
794	Q	72.2	Confident	62.8	Low	137 Å²	137	92.7 Å²	92.7	64%	0.64	50%	0.5	S	S	*	.	S	Bend	trans	-134.4	147.8	174.9	-64	-173.6	-21	0	0	108.4	L792 L816	L792-Q794 WeakPolarHBondContact CB-O 3.42Å; L792-Q794 PolarHBondContact O-N 3.34Å; Q794-L816 HydrophobicContact CG-CD1 4.3Å
795	P	66.9	Low	60.4	Low	49 Å²	49	96.8 Å²	96.8	32%	0.318	52%	0.522	S	S	.	.			trans	-62.2	142.7	172.8	26.5	-32.2	0	0	0	109.9	R797 Y855	P795-R797 PolarHBondContact O-N 2.91Å; P795-Y855 HydrophobicContact CB-CE1 4.16Å; P795-Y855 HydrophobicContact CB-CE2 4.11Å; P795-Y855 HydrophobicContact CG-CE2 4.36Å
796	E	61.7	Low	58.4	Low	139 Å²	139	98.7 Å²	98.7	65%	0.65	54%	0.538	S	S	*	.			trans	-60.5	128.3	167.1	-81.7	171.9	176.6	0	0	108.1	L792 D798	L792-E796 HydrophobicContact CD1-CG 3.85Å; E796-D798 PolarHBondContact O-N 3.49Å
797	R	58.5	Low	56.7	Low	225 Å²	225	100.8 Å²	100.8	85%	0.849	56%	0.557	S	S	*	*			trans	-76.2	114.1	169.6	-73.4	-175	-167.3	-172.9	2.5	106.9	P795 D799	P795-R797 PolarHBondContact O-N 2.91Å; R797-D799 PolarHBondContact O-N 2.95Å; R797-D799 VanDerWaalsContact O-N 3.12Å
798	D	51.9	Low	55.2	Low	140 Å²	140	105.2 Å²	105.2	75%	0.749	57%	0.566	S	S	*	*			trans	-67.7	105.5	163.8	-72.4	-34.1	0	0	0	107.5	E796 E800	E796-D798 PolarHBondContact O-N 3.49Å; D798-E800 PolarHBondContact O-N 3.41Å
799	D	49.3	Very low	53.8	Low	160 Å²	160	110.6 Å²	110.6	86%	0.856	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	8.1	179.5	-74.4	-36.5	0	0	0	113.4	R797	R797-D799 PolarHBondContact O-N 2.95Å; R797-D799 VanDerWaalsContact O-N 3.12Å
800	E	46	Very low	52.6	Low	187 Å²	187	110.4 Å²	110.4	87%	0.874	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	5	-174.4	-80.1	-170	154.5	0	0	116.2	D798 N802	D798-E800 PolarHBondContact O-N 3.41Å; E800-N802 PolarHBondContact O-N 2.64Å
801	A	38.8	Very low	51.1	Low	82 Å²	82	114.6 Å²	114.6	68%	0.678	62%	0.616	S	S	*	*			trans	-82.5	75	177.7	0	0	0	0	0	113.1	S803	A801-S803 VanDerWaalsContact C-N 3.34Å; A801-S803 PolarHBondContact O-N 3.02Å
802	N	34.7	Very low	49.6	Very low	171 Å²	171	116.9 Å²	116.9	91%	0.914	63%	0.633	S	S	*	*			trans	-77.1	80.4	159.6	-93.1	-22.4	0	0	0	109.8	E800	E800-N802 PolarHBondContact O-N 2.64Å
803	S	42.9	Very low	48.7	Very low	100 Å²	100	120.7 Å²	120.7	70%	0.699	65%	0.654	S	S	*	*	S	Bend	trans	-159.7	132.4	160	54.7	0	0	0	0	112.3	A801 D805	A801-S803 VanDerWaalsContact C-N 3.34Å; A801-S803 PolarHBondContact O-N 3.02Å; S803-D805 PolarHBondContact O-N 3.05Å
804	T	38.6	Very low	47.8	Very low	139 Å²	139	125 Å²	125	85%	0.853	67%	0.674	S	S	*	*			trans	-52.4	95	173.4	45.7	0	0	0	0	112.9
805	D	40.2	Very low	47.2	Very low	105 Å²	105	122.7 Å²	122.7	56%	0.561	66%	0.66	S	S	*	*			trans	-151.9	86.1	156.3	-102.8	-31	0	0	0	110.7	S803 A807 E808	S803-D805 PolarHBondContact O-N 3.05Å; D805-A807 PolarHBondContact O-N 3.13Å; D805-A807 VanDerWaalsContact O-N 3.12Å; D805-E808 PolarHBondContact O-N 2.71Å
806	S	41.5	Very low	47.4	Very low	103 Å²	103	123.2 Å²	123.2	72%	0.72	66%	0.66	S	S	*	*	H	α-helix	trans	-63.3	-12.2	175	43	0	0	0	0	113.5
807	A	42.9	Very low	48.2	Very low	66 Å²	66	117.3 Å²	117.3	55%	0.545	63%	0.631	S	S	.	*	H	α-helix	trans	-77.8	-31.2	178.3	0	0	0	0	0	113.4	D805	D805-A807 PolarHBondContact O-N 3.13Å; D805-A807 VanDerWaalsContact O-N 3.12Å
808	E	35.1	Very low	49.2	Very low	137 Å²	137	109.4 Å²	109.4	64%	0.64	61%	0.608	S	S	*	*	H	α-helix	trans	-75.1	-32.8	178.6	-90.5	-172.3	153.4	0	0	112.8	D805 V810 M811 S812	D805-E808 PolarHBondContact O-N 2.71Å; E808-V810 VanDerWaalsContact C-N 3.28Å; E808-V810 PolarHBondContact O-N 2.85Å; E808-M811 PolarHBondContact O-N 2.81Å; E808-S812 PolarHBondContact O-N 2.88Å; E808-S812 VanDerWaalsContact O-N 3.12Å
809	I	39.4	Very low	50.6	Low	118 Å²	118	105.7 Å²	105.7	61%	0.605	59%	0.591	S	S	*	*	H	α-helix	trans	-65	-34	178	-59	175.9	0	0	0	111.2	S812	I809-S812 PolarHBondContact O-N 3.16Å
810	V	43.7	Very low	52.2	Low	111 Å²	111	98.2 Å²	98.2	67%	0.673	55%	0.551	S	S	*	*	H	α-helix	trans	-73.2	-32	178.6	-179.3	0	0	0	0	111.6	E808	E808-V810 VanDerWaalsContact C-N 3.28Å; E808-V810 PolarHBondContact O-N 2.85Å
811	M	41.9	Very low	53.9	Low	132 Å²	132	89.5 Å²	89.5	65%	0.65	51%	0.511	S	S	*	.	H	α-helix	trans	-73.8	-29.5	174.4	-69.4	-156.7	-57.2	0	0	113.1	E808 N813	E808-M811 PolarHBondContact O-N 2.81Å; M811-N813 PolarHBondContact O-N 3.48Å
812	S	45.9	Very low	56	Low	58 Å²	58	90.2 Å²	90.2	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-36.3	177.9	165.5	0	0	0	0	113.5	E808 I809 K814	E808-S812 PolarHBondContact O-N 2.88Å; E808-S812 VanDerWaalsContact O-N 3.12Å; I809-S812 PolarHBondContact O-N 3.16Å; S812-K814 VanDerWaalsContact C-N 3.28Å; S812-K814 PolarHBondContact O-N 2.92Å
813	N	54.2	Low	58.3	Low	112 Å²	112	85 Å²	85	60%	0.599	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-70.8	-18.5	-176.5	-80.4	-15.6	0	0	0	114.4	M811 Y815	M811-N813 PolarHBondContact O-N 3.48Å; N813-Y815 PolarHBondContact O-N 3.14Å
814	K	56.7	Low	60.3	Low	153 Å²	153	81.5 Å²	81.5	67%	0.665	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-65	-23.7	-177.7	-172	176.4	179.8	-177.2	0	113.3	S812	S812-K814 VanDerWaalsContact C-N 3.28Å; S812-K814 PolarHBondContact O-N 2.92Å
815	Y	61.4	Low	62.5	Low	90 Å²	90	76.4 Å²	76.4	35%	0.353	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-115.2	9.9	-166.7	-72.3	-62.4	0	0	0	113.7	N813 Y853	N813-Y815 PolarHBondContact O-N 3.14Å; Y815-Y853 AromaticContact CD1-CD2 3.69Å; Y815-Y853 HydrophobicContact CD1-CD2 3.69Å; Y815-Y853 AromaticContact CD1-CE2 3.44Å; Y815-Y853 HydrophobicContact CD1-CE2 3.44Å; Y815-Y853 VanDerWaalsContact CD1-CE2 3.44Å; Y815-Y853 AromaticContact CE1-CE2 3.94Å; Y815-Y853 HydrophobicContact CE1-CE2 3.94Å; Y815-Y853 AromaticContact CG-CD2 3.96Å; Y815-Y853 HydrophobicContact CG-CD2 3.96Å; Y815-Y853 AromaticContact CG-CE2 3.95Å; Y815-Y853 HydrophobicContact CG-CE2 3.95Å; Y815-Y853 PolarHBondContact O-N 3.29Å
816	L	71.1	Confident	64.7	Low	60 Å²	60	76.5 Å²	76.5	31%	0.314	41%	0.408	S	S	.	.	B	Isolated β-bridge	trans	-70	133.9	179.9	-172.1	66.7	0	0	0	110.7	Q794 V818	Q794-L816 HydrophobicContact CG-CD1 4.3Å; L816-V818 PolarHBondContact O-N 3.11Å
817	Y	77.2	Confident	66.9	Low	14 Å²	14	71.6 Å²	71.6	6%	0.055	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-62.6	120.4	172.4	178.5	-98.8	0	0	0	110.5	H770 M771 Y793 P819 L854 V873 E898	H770-Y817 AromaticContact NE2-CZ 3.87Å; H770-Y817 PolarHBondContact NE2-OH 3.4Å; M771-Y817 WeakPolarHBondContact CE-OH 3.5Å; Y793-Y817 AromaticContact CD1-CD1 3.54Å; Y793-Y817 HydrophobicContact CD1-CD1 3.54Å; Y793-Y817 AromaticContact CD1-CE1 3.62Å; Y793-Y817 HydrophobicContact CD1-CE1 3.62Å; Y793-Y817 HydrophobicContact CD1-CG 4.28Å; Y793-Y817 HydrophobicContact CE1-CD1 4.3Å; Y793-Y817 AromaticContact CE1-CE1 3.94Å; Y793-Y817 HydrophobicContact CE1-CE1 3.94Å; Y793-Y817 HydrophobicContact CG-CD1 4.47Å; Y817-P819 HydrophobicContact CE1-CB 4.44Å; Y817-P819 HydrophobicContact CE1-CG 4.36Å; Y817-L854 HydrophobicContact CD1-CD2 4.07Å; Y817-L854 HydrophobicContact CD2-CD2 3.62Å; Y817-L854 HydrophobicContact CD2-CG 4.12Å; Y817-L854 HydrophobicContact CE2-CD2 4.18Å; Y817-L854 HydrophobicContact CG-CD2 3.56Å; Y817-L854 HydrophobicContact CG-CG 4.48Å; Y817-V873 HydrophobicContact CD2-CG2 4.1Å; Y817-V873 HydrophobicContact CE2-CG2 4.09Å; Y817-E898 WeakPolarHBondContact CE2-OE2 3.4Å; Y817-E898 PolarHBondContact OH-OE2 2.92Å
818	V	79	Confident	69	Low	59 Å²	59	69.1 Å²	69.1	36%	0.358	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-101.6	121	171.9	-178	0	0	0	0	107.5	L816 F820 T822 R823 Q852	L816-V818 PolarHBondContact O-N 3.11Å; V818-F820 PolarHBondContact O-N 3.37Å; V818-T822 HydrophobicContact CG1-CG2 4.18Å; V818-R823 HydrophobicContact CG1-CB 4.18Å; V818-Q852 VanDerWaalsContact N-NE2 3.16Å; V818-Q852 PolarHBondContact O-NE2 3.23Å; V818-Q852 VanDerWaalsContact O-NE2 3.09Å
819	P	81.7	Confident	71.2	Confident	62 Å²	62	65 Å²	65	40%	0.403	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-52.1	136.2	-179.8	-27.5	34.4	0	0	0	112.6	Y817 A821 T822 R823	Y817-P819 HydrophobicContact CE1-CB 4.44Å; Y817-P819 HydrophobicContact CE1-CG 4.36Å; P819-A821 VanDerWaalsContact C-N 3.29Å; P819-A821 PolarHBondContact O-N 3.14Å; P819-A821 VanDerWaalsContact O-N 3.13Å; P819-T822 WeakPolarHBondContact O-CA 3.49Å; P819-T822 WeakPolarHBondContact O-CB 3.2Å; P819-T822 PolarHBondContact O-N 2.64Å; P819-R823 PolarHBondContact O-N 2.92Å
820	F	84	Confident	73.3	Confident	3 Å²	3	59.7 Å²	59.7	1%	0.013	31%	0.307	C	S	.	.	H	α-helix	trans	-45.1	-48.9	-177.5	-178.8	-90.8	0	0	0	113.7	M771 F773 T781 V818 T822 R823 Y824 F832 E898	M771-F820 HydrophobicContact CE-CB 3.73Å; M771-F820 HydrophobicContact SD-CB 3.26Å; M771-F820 WeakPolarHBondContact SD-CB 3.29Å; M771-F820 HydrophobicContact SD-CG 4Å; F773-F820 HydrophobicContact CB-CD1 4.11Å; F773-F820 HydrophobicContact CB-CE1 4.02Å; F773-F820 HydrophobicContact CD1-CD1 4.18Å; F773-F820 HydrophobicContact CD1-CD2 4.15Å; F773-F820 HydrophobicContact CD1-CE1 4.03Å; F773-F820 AromaticContact CD1-CE2 3.99Å; F773-F820 HydrophobicContact CD1-CE2 3.99Å; F773-F820 HydrophobicContact CD1-CG 4.25Å; F773-F820 AromaticContact CD1-CZ 3.93Å; F773-F820 HydrophobicContact CD1-CZ 3.93Å; F773-F820 HydrophobicContact CD2-CD1 4.38Å; F773-F820 AromaticContact CD2-CE1 3.54Å; F773-F820 HydrophobicContact CD2-CE1 3.54Å; F773-F820 HydrophobicContact CD2-CE2 4.3Å; F773-F820 AromaticContact CD2-CZ 3.49Å; F773-F820 HydrophobicContact CD2-CZ 3.49Å; F773-F820 VanDerWaalsContact CD2-CZ 3.49Å; F773-F820 HydrophobicContact CE1-CD2 4.05Å; F773-F820 HydrophobicContact CE1-CE1 4.39Å; F773-F820 AromaticContact CE1-CE2 3.62Å; F773-F820 HydrophobicContact CE1-CE2 3.62Å; F773-F820 AromaticContact CE1-CZ 3.82Å; F773-F820 HydrophobicContact CE1-CZ 3.82Å; F773-F820 AromaticContact CE2-CE1 3.95Å; F773-F820 HydrophobicContact CE2-CE1 3.95Å; F773-F820 AromaticContact CE2-CE2 3.97Å; F773-F820 HydrophobicContact CE2-CE2 3.97Å; F773-F820 AromaticContact CE2-CZ 3.37Å; F773-F820 HydrophobicContact CE2-CZ 3.37Å; F773-F820 AromaticContact CG-CD1 3.98Å; F773-F820 HydrophobicContact CG-CD1 3.98Å; F773-F820 AromaticContact CG-CE1 3.59Å; F773-F820 HydrophobicContact CG-CE1 3.59Å; F773-F820 HydrophobicContact CG-CE2 4.31Å; F773-F820 AromaticContact CG-CZ 3.78Å; F773-F820 HydrophobicContact CG-CZ 3.78Å; F773-F820 HydrophobicContact CZ-CD2 4.47Å; F773-F820 HydrophobicContact CZ-CE1 4.35Å; F773-F820 AromaticContact CZ-CE2 3.61Å; F773-F820 HydrophobicContact CZ-CE2 3.61Å; F773-F820 AromaticContact CZ-CZ 3.53Å; F773-F820 HydrophobicContact CZ-CZ 3.53Å; T781-F820 HydrophobicContact CG2-CE1 4.43Å; V818-F820 PolarHBondContact O-N 3.37Å; F820-T822 PolarHBondContact O-N 3.3Å; F820-R823 PolarHBondContact O-N 2.92Å; F820-R823 VanDerWaalsContact O-N 3.09Å; F820-Y824 AromaticContact CD2-CD2 3.6Å; F820-Y824 HydrophobicContact CD2-CD2 3.6Å; F820-Y824 HydrophobicContact CD2-CE2 4.19Å; F820-Y824 AromaticContact CE2-CD2 3.51Å; F820-Y824 HydrophobicContact CE2-CD2 3.51Å; F820-Y824 HydrophobicContact CE2-CE2 4.15Å; F820-Y824 HydrophobicContact CE2-CG 4.37Å; F820-Y824 HydrophobicContact CG-CD2 4.29Å; F820-Y824 HydrophobicContact CZ-CD2 4.14Å; F820-Y824 PolarHBondContact O-N 3.13Å; F820-F832 HydrophobicContact CE1-CE1 4.46Å; F820-F832 HydrophobicContact CE1-CZ 4.31Å; F820-F832 HydrophobicContact CE2-CD1 4.46Å; F820-F832 HydrophobicContact CE2-CE1 4.48Å; F820-F832 HydrophobicContact CZ-CD1 4.08Å; F820-F832 HydrophobicContact CZ-CD2 4.43Å; F820-F832 AromaticContact CZ-CE1 3.71Å; F820-F832 HydrophobicContact CZ-CE1 3.71Å; F820-F832 HydrophobicContact CZ-CE2 4.1Å; F820-F832 HydrophobicContact CZ-CG 4.44Å; F820-F832 AromaticContact CZ-CZ 3.73Å; F820-F832 HydrophobicContact CZ-CZ 3.73Å; F820-E898 HydrophobicContact CD2-CG 4.49Å; F820-E898 WeakPolarHBondContact CD2-OE1 3.47Å
821	A	81	Confident	75.3	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-68.3	-18.9	-177.4	0	0	0	0	0	114.3	K691 F783 P819	K691-A821 HydrophobicContact CG-CB 4.22Å; F783-A821 HydrophobicContact CD1-CB 3.4Å; F783-A821 HydrophobicContact CD2-CB 4.47Å; F783-A821 HydrophobicContact CE1-CB 3.27Å; F783-A821 HydrophobicContact CE2-CB 4.37Å; F783-A821 HydrophobicContact CG-CB 4.02Å; F783-A821 HydrophobicContact CZ-CB 3.8Å; P819-A821 VanDerWaalsContact C-N 3.29Å; P819-A821 PolarHBondContact O-N 3.14Å; P819-A821 VanDerWaalsContact O-N 3.13Å
822	T	83.3	Confident	77.4	Confident	97 Å²	97	50.3 Å²	50.3	60%	0.595	26%	0.255	S	S	*	.	H	α-helix	trans	-87.1	-35.3	171.7	-53.6	0	0	0	0	110.8	V818 P819 F820	V818-T822 HydrophobicContact CG1-CG2 4.18Å; P819-T822 WeakPolarHBondContact O-CA 3.49Å; P819-T822 WeakPolarHBondContact O-CB 3.2Å; P819-T822 PolarHBondContact O-N 2.64Å; F820-T822 PolarHBondContact O-N 3.3Å
823	R	81.9	Confident	79.5	Confident	62 Å²	62	47.6 Å²	47.6	23%	0.234	24%	0.236	C	C	.	.	H	α-helix	trans	-73.7	-39.8	179.6	-173.3	175.9	-177.2	171.5	6	113.1	V818 P819 F820 P825 D851	V818-R823 HydrophobicContact CG1-CB 4.18Å; P819-R823 PolarHBondContact O-N 2.92Å; F820-R823 PolarHBondContact O-N 2.92Å; F820-R823 VanDerWaalsContact O-N 3.09Å; R823-P825 WeakPolarHBondContact O-CD 3.4Å; R823-D851 IonicContact CZ-OD1 3.99Å; R823-D851 IonicContact CZ-OD2 3.27Å; R823-D851 IonicContact NH1-OD1 3.62Å; R823-D851 PolarHBondContact NH1-OD1 2.82Å; R823-D851 IonicContact NH1-OD2 3.03Å; R823-D851 IonicContact NH2-OD1 3.81Å; R823-D851 PolarHBondContact NH2-OD1 2.97Å; R823-D851 IonicContact NH2-OD2 3.11Å; R823-D851 PolarHBondContact NH2-OD2 3.15Å
824	Y	86.2	Confident	81.1	Confident	27 Å²	27	44.5 Å²	44.5	11%	0.106	22%	0.217	C	C	.	.			trans	-126.8	59.8	-173.4	-58	-61.5	0	0	0	113	F820 R826 E830 F832 K849	F820-Y824 AromaticContact CD2-CD2 3.6Å; F820-Y824 HydrophobicContact CD2-CD2 3.6Å; F820-Y824 HydrophobicContact CD2-CE2 4.19Å; F820-Y824 AromaticContact CE2-CD2 3.51Å; F820-Y824 HydrophobicContact CE2-CD2 3.51Å; F820-Y824 HydrophobicContact CE2-CE2 4.15Å; F820-Y824 HydrophobicContact CE2-CG 4.37Å; F820-Y824 HydrophobicContact CG-CD2 4.29Å; F820-Y824 HydrophobicContact CZ-CD2 4.14Å; F820-Y824 PolarHBondContact O-N 3.13Å; Y824-R826 VanDerWaalsContact C-N 3.29Å; Y824-R826 PolarHBondContact O-N 3.16Å; Y824-E830 WeakPolarHBondContact CA-OE1 3.24Å; Y824-E830 WeakPolarHBondContact CD1-OE2 3.42Å; Y824-F832 HydrophobicContact CG-CD1 4.28Å; Y824-F832 HydrophobicContact CG-CE1 4.36Å; Y824-K849 WeakPolarHBondContact OH-CE 3.38Å; Y824-K849 PolarHBondContact OH-NZ 2.76Å
825	P	83.9	Confident	82.5	Confident	31 Å²	31	37.4 Å²	37.4	20%	0.201	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.9	-175.3	33.2	-36.8	0	0	0	113.8	P694 R823	P694-P825 WeakPolarHBondContact CD-O 3.17Å; P694-P825 HydrophobicContact CG-CB 4.11Å; P694-P825 HydrophobicContact CG-CG 3.93Å; R823-P825 WeakPolarHBondContact O-CD 3.4Å
826	R	86.8	Confident	83.9	Confident	107 Å²	107	33.1 Å²	33.1	40%	0.404	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	11.2	-169.4	-63.4	176.6	-68.2	-171.8	0.1	115.6	H693 P694 D695 Y824 L828 D829 E830	H693-R826 PolarHBondContact CD2-O 3.07Å; H693-R826 VanDerWaalsContact NE2-CB 3.32Å; H693-R826 WeakPolarHBondContact NE2-CB 3.36Å; H693-R826 PolarHBondContact NE2-O 3.36Å; P694-R826 HydrophobicContact CG-CG 3.55Å; D695-R826 WeakPolarHBondContact OD2-CD 3.49Å; Y824-R826 VanDerWaalsContact C-N 3.29Å; Y824-R826 PolarHBondContact O-N 3.16Å; R826-L828 PolarHBondContact O-N 2.74Å; R826-D829 HydrophobicContact CB-CB 4.11Å; R826-D829 PolarHBondContact O-N 2.7Å; R826-E830 HydrophobicContact CB-CG 3.97Å; R826-E830 VanDerWaalsContact CB-OE1 3.26Å; R826-E830 WeakPolarHBondContact CB-OE1 3.27Å; R826-E830 PolarHBondContact N-OE1 2.98Å; R826-E830 VanDerWaalsContact N-OE1 3.08Å; R826-E830 IonicContact NE-OE1 2.92Å; R826-E830 PolarHBondContact NE-OE1 2.93Å
827	A	87.4	Confident	84.7	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	42.3	-102.9	173.8	0	0	0	0	0	114.1	A775 D829 E830 Y833	A775-A827 HydrophobicContact CB-CB 4.06Å; A827-D829 PolarHBondContact O-N 3.08Å; A827-E830 VanDerWaalsContact O-CB 3.27Å; A827-E830 WeakPolarHBondContact O-CB 3.33Å; A827-E830 PolarHBondContact O-N 2.86Å; A827-Y833 WeakPolarHBondContact O-CB 3.31Å
828	L	86.6	Confident	85	Confident	14 Å²	14	32.3 Å²	32.3	7%	0.073	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-57.1	-31	-176.9	-172.1	144.8	0	0	0	114.1	H777 R826 E830 Y833 K834	H777-L828 VanDerWaalsContact CD2-CD1 3.5Å; H777-L828 WeakPolarHBondContact CD2-CD1 3.36Å; H777-L828 WeakPolarHBondContact NE2-CD1 3.39Å; R826-L828 PolarHBondContact O-N 2.74Å; L828-E830 VanDerWaalsContact C-N 3.29Å; L828-Y833 HydrophobicContact CB-CD1 4.41Å; L828-Y833 HydrophobicContact CB-CE1 4.27Å; L828-Y833 HydrophobicContact CD1-CE1 4.4Å; L828-Y833 HydrophobicContact CG-CD1 4.43Å; L828-Y833 HydrophobicContact CG-CE1 4.17Å; L828-K834 VanDerWaalsContact O-CE 3.28Å; L828-K834 WeakPolarHBondContact O-CE 3.39Å
829	D	81.4	Confident	85.2	Confident	50 Å²	50	30.3 Å²	30.3	27%	0.267	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-81	-11.4	179.5	-70.8	-34.8	0	0	0	113	H693 R826 A827 K834	H693-D829 IonicContact CE1-OD2 3.49Å; H693-D829 IonicContact NE2-OD2 3Å; H693-D829 PolarHBondContact NE2-OD2 3.46Å; R826-D829 HydrophobicContact CB-CB 4.11Å; R826-D829 PolarHBondContact O-N 2.7Å; A827-D829 PolarHBondContact O-N 3.08Å; D829-K834 PolarHBondContact O-NZ 3.36Å
830	E	85.2	Confident	84.9	Confident	8 Å²	8	30.7 Å²	30.7	4%	0.037	15%	0.153	C	C	.	.	S	Bend	trans	-80.7	148	-176.9	-58.9	-69	177.7	0	0	113.5	Y824 R826 A827 L828 F832 Y833 K834	Y824-E830 WeakPolarHBondContact CA-OE1 3.24Å; Y824-E830 WeakPolarHBondContact CD1-OE2 3.42Å; R826-E830 HydrophobicContact CB-CG 3.97Å; R826-E830 VanDerWaalsContact CB-OE1 3.26Å; R826-E830 WeakPolarHBondContact CB-OE1 3.27Å; R826-E830 PolarHBondContact N-OE1 2.98Å; R826-E830 VanDerWaalsContact N-OE1 3.08Å; R826-E830 IonicContact NE-OE1 2.92Å; R826-E830 PolarHBondContact NE-OE1 2.93Å; A827-E830 VanDerWaalsContact O-CB 3.27Å; A827-E830 WeakPolarHBondContact O-CB 3.33Å; A827-E830 PolarHBondContact O-N 2.86Å; L828-E830 VanDerWaalsContact C-N 3.29Å; E830-F832 HydrophobicContact CB-CD1 3.62Å; E830-F832 HydrophobicContact CB-CE1 3.45Å; E830-F832 VanDerWaalsContact CB-CE1 3.45Å; E830-F832 HydrophobicContact CB-CZ 4.43Å; E830-F832 HydrophobicContact CG-CD1 4.47Å; E830-F832 HydrophobicContact CG-CE1 3.92Å; E830-F832 PolarHBondContact O-N 2.94Å; E830-Y833 PolarHBondContact O-N 2.79Å; E830-K834 PolarHBondContact O-N 2.69Å; E830-K834 VanDerWaalsContact O-N 3.15Å
831	V	84	Confident	84.6	Confident	27 Å²	27	37.9 Å²	37.9	16%	0.164	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-44.2	-176.6	-176	0	0	0	0	112.1	M626 G628 Y833 K834 R835	M626-V831 WeakPolarHBondContact O-CG1 3.37Å; M626-V831 VanDerWaalsContact O-CG2 3.31Å; M626-V831 WeakPolarHBondContact O-CG2 3.25Å; G628-V831 VanDerWaalsContact N-CG2 3.33Å; V831-Y833 VanDerWaalsContact C-N 3.26Å; V831-Y833 PolarHBondContact O-N 2.94Å; V831-K834 PolarHBondContact O-N 2.85Å; V831-R835 HydrophobicContact CG1-CG 4.12Å; V831-R835 WeakPolarHBondContact O-CB 3.45Å; V831-R835 VanDerWaalsContact O-CG 3.31Å; V831-R835 WeakPolarHBondContact O-CG 3.36Å; V831-R835 PolarHBondContact O-N 2.81Å
832	F	87.7	Confident	84.5	Confident	19 Å²	19	38.2 Å²	38.2	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-36.3	-177.6	78.7	-90.7	0	0	0	111.5	F773 A775 F820 Y824 E830 A836 A877 V894	F773-F832 HydrophobicContact CD2-CE2 4.49Å; F773-F832 HydrophobicContact CE2-CD2 4.01Å; F773-F832 AromaticContact CE2-CE2 3.76Å; F773-F832 HydrophobicContact CE2-CE2 3.76Å; F773-F832 HydrophobicContact CE2-CZ 4.45Å; F773-F832 HydrophobicContact CZ-CD2 4.45Å; A775-F832 HydrophobicContact CB-CE2 4.21Å; A775-F832 HydrophobicContact CB-CZ 3.93Å; F820-F832 HydrophobicContact CE1-CE1 4.46Å; F820-F832 HydrophobicContact CE1-CZ 4.31Å; F820-F832 HydrophobicContact CE2-CD1 4.46Å; F820-F832 HydrophobicContact CE2-CE1 4.48Å; F820-F832 HydrophobicContact CZ-CD1 4.08Å; F820-F832 HydrophobicContact CZ-CD2 4.43Å; F820-F832 AromaticContact CZ-CE1 3.71Å; F820-F832 HydrophobicContact CZ-CE1 3.71Å; F820-F832 HydrophobicContact CZ-CE2 4.1Å; F820-F832 HydrophobicContact CZ-CG 4.44Å; F820-F832 AromaticContact CZ-CZ 3.73Å; F820-F832 HydrophobicContact CZ-CZ 3.73Å; Y824-F832 HydrophobicContact CG-CD1 4.28Å; Y824-F832 HydrophobicContact CG-CE1 4.36Å; E830-F832 HydrophobicContact CB-CD1 3.62Å; E830-F832 HydrophobicContact CB-CE1 3.45Å; E830-F832 VanDerWaalsContact CB-CE1 3.45Å; E830-F832 HydrophobicContact CB-CZ 4.43Å; E830-F832 HydrophobicContact CG-CD1 4.47Å; E830-F832 HydrophobicContact CG-CE1 3.92Å; E830-F832 PolarHBondContact O-N 2.94Å; F832-A836 VanDerWaalsContact O-CB 3.29Å; F832-A836 WeakPolarHBondContact O-CB 3.27Å; F832-A836 PolarHBondContact O-N 3.08Å; F832-A877 HydrophobicContact CD2-CB 4.24Å; F832-V894 HydrophobicContact CD2-CG1 4.07Å; F832-V894 HydrophobicContact CE2-CB 4.49Å; F832-V894 HydrophobicContact CE2-CG1 4.03Å
833	Y	90	Very high	84.8	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.7	-50.9	-179.4	-166.8	-77.8	0	0	0	110.1	A775 H777 A827 L828 E830 V831 R835 A836 L837 V894	A775-Y833 HydrophobicContact CB-CD2 4Å; A775-Y833 HydrophobicContact CB-CE2 4.23Å; A775-Y833 WeakPolarHBondContact O-CE2 3.32Å; H777-Y833 PolarHBondContact N-OH 3.33Å; A827-Y833 WeakPolarHBondContact O-CB 3.31Å; L828-Y833 HydrophobicContact CB-CD1 4.41Å; L828-Y833 HydrophobicContact CB-CE1 4.27Å; L828-Y833 HydrophobicContact CD1-CE1 4.4Å; L828-Y833 HydrophobicContact CG-CD1 4.43Å; L828-Y833 HydrophobicContact CG-CE1 4.17Å; E830-Y833 PolarHBondContact O-N 2.79Å; V831-Y833 VanDerWaalsContact C-N 3.26Å; V831-Y833 PolarHBondContact O-N 2.94Å; Y833-R835 PolarHBondContact O-N 3.29Å; Y833-A836 PolarHBondContact O-N 2.9Å; Y833-L837 HydrophobicContact CD1-CD1 3.64Å; Y833-L837 HydrophobicContact CD1-CG 4.29Å; Y833-L837 HydrophobicContact CE1-CD1 3.54Å; Y833-L837 HydrophobicContact CE1-CG 4.22Å; Y833-L837 WeakPolarHBondContact O-CG 3.31Å; Y833-L837 PolarHBondContact O-N 3.16Å; Y833-V894 HydrophobicContact CD1-CG2 4.12Å; Y833-V894 HydrophobicContact CD2-CB 3.68Å; Y833-V894 HydrophobicContact CD2-CG2 3.49Å; Y833-V894 VanDerWaalsContact CD2-CG2 3.49Å; Y833-V894 HydrophobicContact CE1-CG2 4.2Å; Y833-V894 HydrophobicContact CE2-CB 3.88Å; Y833-V894 HydrophobicContact CE2-CG2 3.57Å; Y833-V894 HydrophobicContact CG-CB 4.33Å; Y833-V894 HydrophobicContact CG-CG2 3.77Å
834	K	86.4	Confident	85.4	Confident	47 Å²	47	32.1 Å²	32.1	20%	0.204	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-42.1	177.9	-68.7	174.5	177.9	159.9	0	112.5	M626 L828 D829 E830 V831 L837	M626-K834 HydrophobicContact SD-CB 3.86Å; M626-K834 HydrophobicContact SD-CD 4.3Å; L828-K834 VanDerWaalsContact O-CE 3.28Å; L828-K834 WeakPolarHBondContact O-CE 3.39Å; D829-K834 PolarHBondContact O-NZ 3.36Å; E830-K834 PolarHBondContact O-N 2.69Å; E830-K834 VanDerWaalsContact O-N 3.15Å; V831-K834 PolarHBondContact O-N 2.85Å; K834-L837 PolarHBondContact O-N 3.39Å
835	R	86.8	Confident	85.7	Confident	4 Å²	4	31.2 Å²	31.2	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-45.7	175.8	-73.8	-177.7	70.8	-159.6	1.7	111.7	M626 R634 Y636 V831 Y833 L837 Q838 F839 V845 D847 D928 E929	M626-R835 HydrophobicContact CB-CG 4.34Å; R634-R835 VanDerWaalsContact CD-NE 3.34Å; R634-R835 VanDerWaalsContact NE-CZ 3.32Å; Y636-R835 HydrophobicContact CE2-CG 4.11Å; Y636-R835 PolarHBondContact OH-NE 2.75Å; V831-R835 HydrophobicContact CG1-CG 4.12Å; V831-R835 WeakPolarHBondContact O-CB 3.45Å; V831-R835 VanDerWaalsContact O-CG 3.31Å; V831-R835 WeakPolarHBondContact O-CG 3.36Å; V831-R835 PolarHBondContact O-N 2.81Å; Y833-R835 PolarHBondContact O-N 3.29Å; R835-L837 PolarHBondContact O-N 2.94Å; R835-Q838 WeakPolarHBondContact O-CB 3.48Å; R835-Q838 PolarHBondContact O-N 3.14Å; R835-F839 WeakPolarHBondContact O-CD2 3.3Å; R835-V845 HydrophobicContact CB-CG1 4.32Å; R835-D847 IonicContact NH1-OD1 3.56Å; R835-D847 IonicContact NH1-OD2 3.68Å; R835-D928 IonicContact NH2-OD2 2.67Å; R835-E929 IonicContact CZ-OE1 2.69Å; R835-E929 IonicContact NE-OE1 3.93Å; R835-E929 PolarHBondContact NE-OE1 3.45Å; R835-E929 VanDerWaalsContact NH2-CD 3.26Å; R835-E929 IonicContact NH2-OE1 3.68Å; R835-E929 PolarHBondContact NH2-OE1 3.46Å; R835-E929 IonicContact NH2-OE2 2.88Å; R835-E929 PolarHBondContact NH2-OE2 3.44Å
836	A	90	Very high	86.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.8	-33.8	178.8	0	0	0	0	0	112.6	F832 Y833 Q838 F839 A877 A879 V894	F832-A836 VanDerWaalsContact O-CB 3.29Å; F832-A836 WeakPolarHBondContact O-CB 3.27Å; F832-A836 PolarHBondContact O-N 3.08Å; Y833-A836 PolarHBondContact O-N 2.9Å; A836-Q838 VanDerWaalsContact C-N 3.28Å; A836-Q838 PolarHBondContact O-N 3.19Å; A836-F839 PolarHBondContact O-N 2.87Å; A836-A877 HydrophobicContact CB-CB 4.25Å; A836-A879 HydrophobicContact CB-CB 4.47Å; A836-V894 HydrophobicContact CB-CG1 3.72Å; A836-V894 HydrophobicContact CB-CG2 4.06Å
837	L	87.7	Confident	86.2	Confident	9 Å²	9	25.6 Å²	25.6	5%	0.047	14%	0.136	C	C	.	.	H	α-helix	trans	-69	-20.5	176.7	-70.7	168.8	0	0	0	114.4	A522 Y833 K834 R835 F839 A879 F881 P891	A522-L837 HydrophobicContact CB-CD1 3.66Å; A522-L837 HydrophobicContact CB-CD2 4.11Å; A522-L837 HydrophobicContact CB-CG 4.45Å; Y833-L837 HydrophobicContact CD1-CD1 3.64Å; Y833-L837 HydrophobicContact CD1-CG 4.29Å; Y833-L837 HydrophobicContact CE1-CD1 3.54Å; Y833-L837 HydrophobicContact CE1-CG 4.22Å; Y833-L837 WeakPolarHBondContact O-CG 3.31Å; Y833-L837 PolarHBondContact O-N 3.16Å; K834-L837 PolarHBondContact O-N 3.39Å; R835-L837 PolarHBondContact O-N 2.94Å; L837-F839 PolarHBondContact O-N 2.97Å; L837-A879 HydrophobicContact CD2-CB 4.11Å; L837-F881 HydrophobicContact CD2-CZ 4.47Å; L837-P891 HydrophobicContact CD2-CB 3.52Å; L837-P891 HydrophobicContact CD2-CG 4.28Å
838	Q	83.4	Confident	86.3	Confident	49 Å²	49	26.2 Å²	26.2	23%	0.229	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.5	174.9	-57.5	-59.8	-45.3	0	0	112.2	N523 Y636 R835 A836	N523-Q838 PolarHBondContact ND2-NE2 3.37Å; N523-Q838 VanDerWaalsContact ND2-NE2 3.17Å; Y636-Q838 HydrophobicContact CD1-CB 3.97Å; Y636-Q838 HydrophobicContact CD1-CG 3.68Å; Y636-Q838 HydrophobicContact CD2-CG 4.07Å; Y636-Q838 HydrophobicContact CE1-CB 3.89Å; Y636-Q838 HydrophobicContact CE1-CG 3.82Å; Y636-Q838 HydrophobicContact CE2-CG 4.17Å; Y636-Q838 HydrophobicContact CG-CG 3.81Å; R835-Q838 WeakPolarHBondContact O-CB 3.48Å; R835-Q838 PolarHBondContact O-N 3.14Å; A836-Q838 VanDerWaalsContact C-N 3.28Å; A836-Q838 PolarHBondContact O-N 3.19Å
839	F	83.3	Confident	86.2	Confident	16 Å²	16	26.6 Å²	26.6	7%	0.07	14%	0.141	C	C	.	.			trans	-108.4	68.4	-176.3	-66.5	-91.1	0	0	0	111.3	Y636 R835 A836 L837 N841 E843 V845 E929 N1070	Y636-F839 HydrophobicContact CE1-CE2 4.4Å; R835-F839 WeakPolarHBondContact O-CD2 3.3Å; A836-F839 PolarHBondContact O-N 2.87Å; L837-F839 PolarHBondContact O-N 2.97Å; F839-N841 PolarHBondContact O-N 3.38Å; F839-N841 VanDerWaalsContact O-N 3.13Å; F839-E843 HydrophobicContact CB-CB 4.19Å; F839-E843 HydrophobicContact CD1-CB 4.33Å; F839-E843 WeakPolarHBondContact CD1-OE2 3.4Å; F839-V845 HydrophobicContact CB-CG2 4.34Å; F839-V845 HydrophobicContact CD2-CG2 3.25Å; F839-V845 HydrophobicContact CE2-CG2 3.63Å; F839-V845 HydrophobicContact CG-CG2 3.92Å; F839-E929 HydrophobicContact CZ-CB 4.44Å; F839-E929 HydrophobicContact CZ-CG 4.26Å; F839-N1070 HydrophobicContact CE1-CB 3.91Å; F839-N1070 HydrophobicContact CE2-CB 4.27Å; F839-N1070 HydrophobicContact CZ-CB 3.61Å
840	V	76	Confident	86.1	Confident	71 Å²	71	26.8 Å²	26.8	43%	0.43	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.9	-172.6	-171.5	0	0	0	0	113.6	G842 F881	V840-G842 PolarHBondContact O-N 3.36Å; V840-F881 HydrophobicContact CB-CZ 4.29Å; V840-F881 HydrophobicContact CG1-CE1 4.28Å; V840-F881 HydrophobicContact CG1-CE2 4.11Å; V840-F881 HydrophobicContact CG1-CZ 3.86Å; V840-F881 HydrophobicContact CG2-CZ 4.33Å
841	N	77.4	Confident	85.6	Confident	153 Å²	153	29.7 Å²	29.7	82%	0.818	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	23.3	-175.3	-66.7	-33.7	0	0	0	114.6	F839 E843	F839-N841 PolarHBondContact O-N 3.38Å; F839-N841 VanDerWaalsContact O-N 3.13Å; N841-E843 VanDerWaalsContact C-N 3.28Å; N841-E843 HydrophobicContact CB-CG 4.47Å; N841-E843 PolarHBondContact O-N 2.95Å
842	G	80.2	Confident	85.2	Confident	12 Å²	12	28.5 Å²	28.5	12%	0.124	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	22.4	177.7	0	0	0	0	0	114.1	V840 R878	V840-G842 PolarHBondContact O-N 3.36Å; G842-R878 WeakPolarHBondContact O-CD 3.38Å; G842-R878 PolarHBondContact O-NE 2.88Å
843	E	89.4	Confident	84.8	Confident	30 Å²	30	29.8 Å²	29.8	14%	0.14	16%	0.157	C	C	.	.			trans	-76.6	149.9	174.8	-47.3	-164.9	111.1	0	0	110.2	F839 N841 R1065 R1068	F839-E843 HydrophobicContact CB-CB 4.19Å; F839-E843 HydrophobicContact CD1-CB 4.33Å; F839-E843 WeakPolarHBondContact CD1-OE2 3.4Å; N841-E843 VanDerWaalsContact C-N 3.28Å; N841-E843 HydrophobicContact CB-CG 4.47Å; N841-E843 PolarHBondContact O-N 2.95Å; E843-R1065 IonicContact OE1-NH2 2.98Å; E843-R1065 IonicContact OE2-NH2 3.46Å; E843-R1065 PolarHBondContact OE2-NH2 3.35Å; E843-R1068 WeakPolarHBondContact CA-O 3.48Å; E843-R1068 PolarHBondContact OE1-N 3.22Å
844	F	93	Very high	84.4	Confident	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-91.1	133.1	171.5	-81.2	-87.5	0	0	0	110.2	Y49 A52 T56 F846 A876 R878 R1068 T1069 N1070	Y49-F844 AromaticContact CD2-CD2 3.8Å; Y49-F844 HydrophobicContact CD2-CD2 3.8Å; Y49-F844 HydrophobicContact CD2-CE2 4.05Å; Y49-F844 HydrophobicContact CE2-CD2 4.09Å; Y49-F844 HydrophobicContact CE2-CE2 4.06Å; A52-F844 HydrophobicContact CB-CD1 4.14Å; A52-F844 HydrophobicContact CB-CD2 4.23Å; A52-F844 HydrophobicContact CB-CE1 3.9Å; A52-F844 HydrophobicContact CB-CE2 3.99Å; A52-F844 HydrophobicContact CB-CG 4.31Å; A52-F844 HydrophobicContact CB-CZ 3.82Å; T56-F844 HydrophobicContact CG2-CE1 4.03Å; T56-F844 HydrophobicContact CG2-CZ 4.39Å; F844-F846 HydrophobicContact CB-CD2 4.05Å; F844-F846 HydrophobicContact CB-CE2 3.4Å; F844-F846 HydrophobicContact CB-CZ 3.91Å; F844-F846 HydrophobicContact CG-CE2 4.45Å; F844-F846 WeakPolarHBondContact O-CD2 3.42Å; F844-A876 HydrophobicContact CD1-CB 4.21Å; F844-R878 HydrophobicContact CD1-CB 3.53Å; F844-R878 HydrophobicContact CD2-CB 4.39Å; F844-R878 HydrophobicContact CE1-CB 3.46Å; F844-R878 VanDerWaalsContact CE1-CB 3.46Å; F844-R878 HydrophobicContact CE1-CG 4.48Å; F844-R878 HydrophobicContact CE2-CB 4.36Å; F844-R878 HydrophobicContact CG-CB 4.01Å; F844-R878 HydrophobicContact CZ-CB 3.91Å; F844-R878 HydrophobicContact CZ-CG 4.49Å; F844-R1068 PolarHBondContact N-O 3.23Å; F844-T1069 WeakPolarHBondContact O-CA 3.45Å; F844-N1070 PolarHBondContact O-N 3.13Å; F844-N1070 PolarHBondContact O-OD1 3.24Å
845	V	92.4	Very high	84.1	Confident	7 Å²	7	29.3 Å²	29.3	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.1	171	-175.9	0	0	0	0	108.3	R835 F839 A876 A877	R835-V845 HydrophobicContact CB-CG1 4.32Å; F839-V845 HydrophobicContact CB-CG2 4.34Å; F839-V845 HydrophobicContact CD2-CG2 3.25Å; F839-V845 HydrophobicContact CE2-CG2 3.63Å; F839-V845 HydrophobicContact CG-CG2 3.92Å; V845-A876 CarbonylContact O-C 3.54Å; V845-A876 WeakPolarHBondContact O-CA 3.15Å; V845-A877 PolarHBondContact N-O 2.89Å; V845-A877 PolarHBondContact O-N 3.19Å
846	F	92.7	Very high	83.7	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140.1	176	-67.4	-94.8	0	0	0	110.6	L48 F844 V874 S875 A876 F904 T1069 N1070 M1071	L48-F846 HydrophobicContact CB-CZ 4.12Å; L48-F846 HydrophobicContact CD1-CE1 4.41Å; L48-F846 HydrophobicContact CD1-CZ 4.28Å; L48-F846 HydrophobicContact CD2-CE1 4.24Å; F844-F846 HydrophobicContact CB-CD2 4.05Å; F844-F846 HydrophobicContact CB-CE2 3.4Å; F844-F846 HydrophobicContact CB-CZ 3.91Å; F844-F846 HydrophobicContact CG-CE2 4.45Å; F844-F846 WeakPolarHBondContact O-CD2 3.42Å; F846-V874 HydrophobicContact CD1-CG1 4.35Å; F846-S875 WeakPolarHBondContact CA-O 3.41Å; F846-A876 HydrophobicContact CD1-CB 3.61Å; F846-A876 HydrophobicContact CE1-CB 3.44Å; F846-A876 VanDerWaalsContact CE1-CB 3.44Å; F846-A876 HydrophobicContact CG-CB 4.29Å; F846-A876 HydrophobicContact CZ-CB 3.99Å; F846-F904 HydrophobicContact CD1-CE2 4.34Å; F846-T1069 HydrophobicContact CD2-CG2 4.14Å; F846-T1069 HydrophobicContact CE2-CG2 3.7Å; F846-N1070 PolarHBondContact N-OD1 3.23Å; F846-N1070 PolarHBondContact O-ND2 3.18Å; F846-N1070 VanDerWaalsContact O-ND2 3.08Å; F846-M1071 HydrophobicContact CB-CE 4.18Å; F846-M1071 HydrophobicContact CB-CG 4.38Å; F846-M1071 HydrophobicContact CB-SD 3.97Å; F846-M1071 HydrophobicContact CD2-CE 3.76Å; F846-M1071 HydrophobicContact CE2-CE 4.28Å; F846-M1071 HydrophobicContact CG-CE 3.93Å; F846-M1071 HydrophobicContact CG-SD 4.37Å
847	D	90	Very high	83	Confident	20 Å²	20	35.4 Å²	35.4	11%	0.107	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.5	178.3	-170.9	37.1	0	0	0	110.4	R634 R835 K849 S875	R634-D847 IonicContact CZ-OD1 2.78Å; R634-D847 IonicContact NH1-OD1 3.87Å; R634-D847 IonicContact NH2-OD1 3.57Å; R634-D847 PolarHBondContact NH2-OD1 3.01Å; R835-D847 IonicContact NH1-OD1 3.56Å; R835-D847 IonicContact NH1-OD2 3.68Å; D847-K849 IonicContact OD2-NZ 2.96Å; D847-K849 PolarHBondContact OD2-NZ 2.93Å; D847-S875 PolarHBondContact N-O 2.88Å; D847-S875 PolarHBondContact O-N 3.37Å; D847-S875 PolarHBondContact O-OG 3.11Å
848	V	88.2	Confident	81.8	Confident	12 Å²	12	40.6 Å²	40.6	7%	0.073	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.1	178.7	-174.6	0	0	0	0	109.9	T850 L872 V874 Y901 V934 L949	V848-T850 HydrophobicContact CG1-CG2 4.35Å; V848-L872 HydrophobicContact CG1-CD1 4.21Å; V848-V874 HydrophobicContact CG2-CG2 4.27Å; V848-Y901 HydrophobicContact CG1-CD2 4.16Å; V848-Y901 HydrophobicContact CG2-CD2 4.46Å; V848-Y901 HydrophobicContact CG2-CE2 4.43Å; V848-V934 HydrophobicContact CG2-CB 4.21Å; V848-V934 HydrophobicContact CG2-CG1 3.64Å; V848-V934 VanDerWaalsContact CG2-O 3.31Å; V848-V934 WeakPolarHBondContact CG2-O 3.49Å; V848-L949 HydrophobicContact CG1-CD1 4.43Å
849	K	86.1	Confident	80.6	Confident	22 Å²	22	41.5 Å²	41.5	10%	0.096	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	98.3	174.2	-54.8	-52.3	178.5	-168.4	0	109.3	Y824 D847 D851 V873 S875	Y824-K849 WeakPolarHBondContact OH-CE 3.38Å; Y824-K849 PolarHBondContact OH-NZ 2.76Å; D847-K849 IonicContact OD2-NZ 2.96Å; D847-K849 PolarHBondContact OD2-NZ 2.93Å; K849-D851 PolarHBondContact O-N 3.38Å; K849-V873 HydrophobicContact CB-CB 4.37Å; K849-V873 PolarHBondContact N-O 2.9Å; K849-S875 WeakPolarHBondContact CE-OG 3.48Å
850	T	78.2	Confident	79.7	Confident	54 Å²	54	41.7 Å²	41.7	33%	0.331	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-7.3	-176.9	56.9	0	0	0	0	113.8	V848 L949	V848-T850 HydrophobicContact CG1-CG2 4.35Å; T850-L949 HydrophobicContact CG2-CB 3.98Å; T850-L949 WeakPolarHBondContact CG2-O 3.31Å
851	D	75.5	Confident	79.3	Confident	69 Å²	69	47.6 Å²	47.6	37%	0.369	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	4.6	-178.4	64.5	-23.6	0	0	0	113.8	R823 K849	R823-D851 IonicContact CZ-OD1 3.99Å; R823-D851 IonicContact CZ-OD2 3.27Å; R823-D851 IonicContact NH1-OD1 3.62Å; R823-D851 PolarHBondContact NH1-OD1 2.82Å; R823-D851 IonicContact NH1-OD2 3.03Å; R823-D851 IonicContact NH2-OD1 3.81Å; R823-D851 PolarHBondContact NH2-OD1 2.97Å; R823-D851 IonicContact NH2-OD2 3.11Å; R823-D851 PolarHBondContact NH2-OD2 3.15Å; K849-D851 PolarHBondContact O-N 3.38Å
852	Q	76	Confident	78.9	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.014	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.8	-176.5	-69.5	-171.3	-32.4	0	0	112.2	V818 L872	V818-Q852 VanDerWaalsContact N-NE2 3.16Å; V818-Q852 PolarHBondContact O-NE2 3.23Å; V818-Q852 VanDerWaalsContact O-NE2 3.09Å; Q852-L872 WeakPolarHBondContact O-CD2 3.09Å
853	Y	79.4	Confident	78.5	Confident	45 Å²	45	45.3 Å²	45.3	18%	0.176	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.3	171.3	-70.7	-84.7	0	0	0	111.6	Y815 K870 L872	Y815-Y853 AromaticContact CD1-CD2 3.69Å; Y815-Y853 HydrophobicContact CD1-CD2 3.69Å; Y815-Y853 AromaticContact CD1-CE2 3.44Å; Y815-Y853 HydrophobicContact CD1-CE2 3.44Å; Y815-Y853 VanDerWaalsContact CD1-CE2 3.44Å; Y815-Y853 AromaticContact CE1-CE2 3.94Å; Y815-Y853 HydrophobicContact CE1-CE2 3.94Å; Y815-Y853 AromaticContact CG-CD2 3.96Å; Y815-Y853 HydrophobicContact CG-CD2 3.96Å; Y815-Y853 AromaticContact CG-CE2 3.95Å; Y815-Y853 HydrophobicContact CG-CE2 3.95Å; Y815-Y853 PolarHBondContact O-N 3.29Å; Y853-K870 HydrophobicContact CD1-CB 3.89Å; Y853-K870 HydrophobicContact CD1-CD 4.42Å; Y853-K870 HydrophobicContact CE1-CB 4.45Å; Y853-L872 HydrophobicContact CD1-CD2 3.79Å; Y853-L872 HydrophobicContact CD1-CG 4.44Å; Y853-L872 HydrophobicContact CD2-CD2 4.38Å; Y853-L872 HydrophobicContact CE1-CD2 3.52Å; Y853-L872 HydrophobicContact CE1-CG 4.09Å; Y853-L872 HydrophobicContact CE2-CD2 4.18Å; Y853-L872 HydrophobicContact CG-CD2 4.25Å
854	L	81.1	Confident	77.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.1	160.8	-67.6	172.9	0	0	0	108.3	I791 Y793 Y817 K870 S871 V873 L900	I791-L854 HydrophobicContact CG2-CB 4.09Å; I791-L854 HydrophobicContact CG2-CD2 4.26Å; Y793-L854 HydrophobicContact CD1-CD2 3.5Å; Y793-L854 VanDerWaalsContact CD1-CD2 3.5Å; Y793-L854 HydrophobicContact CE1-CD2 3.84Å; Y793-L854 HydrophobicContact CG-CD2 4.38Å; Y817-L854 HydrophobicContact CD1-CD2 4.07Å; Y817-L854 HydrophobicContact CD2-CD2 3.62Å; Y817-L854 HydrophobicContact CD2-CG 4.12Å; Y817-L854 HydrophobicContact CE2-CD2 4.18Å; Y817-L854 HydrophobicContact CG-CD2 3.56Å; Y817-L854 HydrophobicContact CG-CG 4.48Å; L854-K870 CarbonylContact O-C 3.54Å; L854-K870 WeakPolarHBondContact O-CA 3.35Å; L854-S871 PolarHBondContact N-O 2.92Å; L854-S871 PolarHBondContact O-N 3.09Å; L854-V873 HydrophobicContact CD1-CG2 3.77Å; L854-V873 HydrophobicContact CG-CG2 3.95Å; L854-L900 HydrophobicContact CB-CD2 4.12Å; L854-L900 HydrophobicContact CD1-CD2 3.71Å
855	Y	80.1	Confident	76.1	Confident	37 Å²	37	51.5 Å²	51.5	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138	-178.3	-60.5	-92.7	0	0	0	109.5	I791 L792 P795 R869 K870	I791-Y855 CarbonylContact C-O 3.55Å; I791-Y855 WeakPolarHBondContact CA-O 3.35Å; L792-Y855 PolarHBondContact N-O 3.38Å; L792-Y855 PolarHBondContact O-N 3.11Å; P795-Y855 HydrophobicContact CB-CE1 4.16Å; P795-Y855 HydrophobicContact CB-CE2 4.11Å; P795-Y855 HydrophobicContact CG-CE2 4.36Å; Y855-R869 WeakPolarHBondContact CA-O 3.28Å; Y855-K870 HydrophobicContact CD1-CG 4Å; Y855-K870 HydrophobicContact CE1-CD 4.27Å; Y855-K870 HydrophobicContact CE1-CG 4.2Å
856	I	77.7	Confident	75	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.051	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	128.5	-178.1	-64.9	164.5	0	0	0	108.6	D790 Y863 A866 R869	D790-I856 CarbonylContact O-C 3.47Å; D790-I856 WeakPolarHBondContact O-CA 3.36Å; I856-Y863 HydrophobicContact CG2-CD2 4.4Å; I856-A866 HydrophobicContact CD1-CB 3.33Å; I856-R869 PolarHBondContact N-O 3.33Å; I856-R869 WeakPolarHBondContact O-CB 3.19Å
857	R	74.6	Confident	73.5	Confident	122 Å²	122	56.4 Å²	56.4	46%	0.46	31%	0.311	S	S	.	.			trans	-59.3	145.8	177.9	-73.3	-174.9	173.9	171.3	-7	110.9	D789 D790 L792 G859 S860	D789-R857 WeakPolarHBondContact O-CD 3.25Å; D789-R857 PolarHBondContact O-NH1 3.07Å; D790-R857 PolarHBondContact O-N 3.49Å; L792-R857 HydrophobicContact CD1-CG 3.84Å; L792-R857 HydrophobicContact CD2-CG 4.28Å; L792-R857 HydrophobicContact CG-CG 3.79Å; R857-G859 PolarHBondContact O-N 2.97Å; R857-S860 PolarHBondContact O-N 3.49Å
858	N	63.9	Low	72.4	Confident	119 Å²	119	59 Å²	59	64%	0.636	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	128.5	-177.3	-157	12.3	0	0	0	111.2	R869	N858-R869 PolarHBondContact ND2-NH2 3.03Å; N858-R869 VanDerWaalsContact ND2-NH2 3.1Å; N858-R869 PolarHBondContact OD1-NE 3.32Å; N858-R869 PolarHBondContact OD1-NH2 3.13Å
859	G	58.6	Low	71.7	Confident	68 Å²	68	64.7 Å²	64.7	70%	0.701	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	13.1	177	0	0	0	0	0	116.7	R857 Q861	R857-G859 PolarHBondContact O-N 2.97Å; G859-Q861 PolarHBondContact O-N 3.21Å
860	S	64.5	Low	71.3	Confident	20 Å²	20	67.6 Å²	67.6	14%	0.14	36%	0.358	C	S	.	.			trans	-61.8	105.8	173.4	-179.4	0	0	0	0	111.3	D790 R857 R862 Y863	D790-S860 WeakPolarHBondContact OD2-CB 3.39Å; D790-S860 PolarHBondContact OD2-OG 2.89Å; R857-S860 PolarHBondContact O-N 3.49Å; S860-R862 PolarHBondContact O-N 3.23Å; S860-R862 PolarHBondContact OG-N 3.27Å; S860-Y863 WeakPolarHBondContact OG-CD2 3.2Å
861	Q	65.8	Low	71.5	Confident	194 Å²	194	65 Å²	65	91%	0.907	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.1	170.5	-69.1	-175.7	-0.4	0	0	112.2	G859	G859-Q861 PolarHBondContact O-N 3.21Å
862	R	69.5	Low	72.1	Confident	110 Å²	110	61.9 Å²	61.9	42%	0.415	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-27.6	-173.8	-171.4	177	-82	168.5	-2.8	112.7	S860 P864	S860-R862 PolarHBondContact O-N 3.23Å; S860-R862 PolarHBondContact OG-N 3.27Å; R862-P864 VanDerWaalsContact C-CD 3.49Å; R862-P864 WeakPolarHBondContact O-CD 3.34Å
863	Y	72.9	Confident	72.6	Confident	8 Å²	8	61.7 Å²	61.7	3%	0.031	32%	0.324	C	S	.	.			trans	-123.6	71	-177.8	-51.6	-63.3	0	0	0	111.4	Q765 D790 I856 S860 L865 A866 L900 S903	Q765-Y863 PolarHBondContact O-OH 2.94Å; D790-Y863 HydrophobicContact CB-CE2 4.35Å; I856-Y863 HydrophobicContact CG2-CD2 4.4Å; S860-Y863 WeakPolarHBondContact OG-CD2 3.2Å; Y863-L865 PolarHBondContact O-N 3.33Å; Y863-L865 VanDerWaalsContact O-N 3.14Å; Y863-A866 WeakPolarHBondContact O-CB 3.36Å; Y863-A866 PolarHBondContact O-N 3.21Å; Y863-A866 VanDerWaalsContact O-N 3.15Å; Y863-L900 HydrophobicContact CD1-CD1 4.03Å; Y863-L900 HydrophobicContact CD2-CD1 4.24Å; Y863-L900 HydrophobicContact CE1-CD1 3.74Å; Y863-L900 HydrophobicContact CE2-CD1 3.96Å; Y863-L900 HydrophobicContact CG-CD1 4.28Å; Y863-S903 WeakPolarHBondContact CE1-OG 3.35Å
864	P	64.3	Low	73.2	Confident	92 Å²	92	59.6 Å²	59.6	60%	0.597	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.9	-172.3	26.4	-35.1	0	0	0	114.3	R862	R862-P864 VanDerWaalsContact C-CD 3.49Å; R862-P864 WeakPolarHBondContact O-CD 3.34Å
865	L	67.8	Low	73.8	Confident	69 Å²	69	60.1 Å²	60.1	36%	0.361	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.7	178.8	-66.5	172.1	0	0	0	113.6	Y863 A867 E905 E906	Y863-L865 PolarHBondContact O-N 3.33Å; Y863-L865 VanDerWaalsContact O-N 3.14Å; L865-A867 PolarHBondContact O-N 2.94Å; L865-E905 HydrophobicContact CD1-CG 3.96Å; L865-E906 HydrophobicContact CD1-CB 3.95Å; L865-E906 HydrophobicContact CD1-CG 4.4Å
866	A	68.1	Low	74.5	Confident	12 Å²	12	58.4 Å²	58.4	10%	0.099	31%	0.313	C	S	.	.			trans	-83.9	56.7	-179.7	0	0	0	0	0	112.7	I856 Y863 D868 R869 T902	I856-A866 HydrophobicContact CD1-CB 3.33Å; Y863-A866 WeakPolarHBondContact O-CB 3.36Å; Y863-A866 PolarHBondContact O-N 3.21Å; Y863-A866 VanDerWaalsContact O-N 3.15Å; A866-D868 PolarHBondContact O-N 3.09Å; A866-R869 PolarHBondContact O-N 3.31Å; A866-R869 VanDerWaalsContact O-N 3.08Å; A866-T902 HydrophobicContact CB-CG2 3.91Å
867	A	60.7	Low	75.3	Confident	99 Å²	99	58.2 Å²	58.2	82%	0.818	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.6	-172.8	0	0	0	0	0	113.7	L865	L865-A867 PolarHBondContact O-N 2.94Å
868	D	67.6	Low	76.2	Confident	75 Å²	75	53.1 Å²	53.1	40%	0.401	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.9	-180	66.1	-20.4	0	0	0	113.8	A866 K870	A866-D868 PolarHBondContact O-N 3.09Å; D868-K870 PolarHBondContact O-N 3.38Å; D868-K870 PolarHBondContact OD1-N 3.06Å; D868-K870 VanDerWaalsContact OD1-O 3.13Å
869	R	73.6	Confident	77.6	Confident	130 Å²	130	47.5 Å²	47.5	49%	0.491	26%	0.264	S	S	.	.	S	Bend	trans	57.5	24.1	-175.2	-56.2	-174.8	-170	161.9	9.6	113.7	Y855 I856 N858 A866	Y855-R869 WeakPolarHBondContact CA-O 3.28Å; I856-R869 PolarHBondContact N-O 3.33Å; I856-R869 WeakPolarHBondContact O-CB 3.19Å; N858-R869 PolarHBondContact ND2-NH2 3.03Å; N858-R869 VanDerWaalsContact ND2-NH2 3.1Å; N858-R869 PolarHBondContact OD1-NE 3.32Å; N858-R869 PolarHBondContact OD1-NH2 3.13Å; A866-R869 PolarHBondContact O-N 3.31Å; A866-R869 VanDerWaalsContact O-N 3.08Å
870	K	77.5	Confident	79.2	Confident	84 Å²	84	44.3 Å²	44.3	37%	0.365	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	154.8	178.1	-61.6	176.3	-169.8	178.8	0	109.8	Y853 L854 Y855 D868	Y853-K870 HydrophobicContact CD1-CB 3.89Å; Y853-K870 HydrophobicContact CD1-CD 4.42Å; Y853-K870 HydrophobicContact CE1-CB 4.45Å; L854-K870 CarbonylContact O-C 3.54Å; L854-K870 WeakPolarHBondContact O-CA 3.35Å; Y855-K870 HydrophobicContact CD1-CG 4Å; Y855-K870 HydrophobicContact CE1-CD 4.27Å; Y855-K870 HydrophobicContact CE1-CG 4.2Å; D868-K870 PolarHBondContact O-N 3.38Å; D868-K870 PolarHBondContact OD1-N 3.06Å; D868-K870 VanDerWaalsContact OD1-O 3.13Å
871	S	83.6	Confident	80.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137	171.9	179.2	0	0	0	0	109.5	L854 Y901 T902	L854-S871 PolarHBondContact N-O 2.92Å; L854-S871 PolarHBondContact O-N 3.09Å; S871-Y901 PolarHBondContact OG-N 3.29Å; S871-T902 PolarHBondContact OG-N 2.71Å
872	L	86.2	Confident	81.5	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	171	165	-65.2	178.8	0	0	0	111	V848 Q852 Y853 Y901 F946 L949	V848-L872 HydrophobicContact CG1-CD1 4.21Å; Q852-L872 WeakPolarHBondContact O-CD2 3.09Å; Y853-L872 HydrophobicContact CD1-CD2 3.79Å; Y853-L872 HydrophobicContact CD1-CG 4.44Å; Y853-L872 HydrophobicContact CD2-CD2 4.38Å; Y853-L872 HydrophobicContact CE1-CD2 3.52Å; Y853-L872 HydrophobicContact CE1-CG 4.09Å; Y853-L872 HydrophobicContact CE2-CD2 4.18Å; Y853-L872 HydrophobicContact CG-CD2 4.25Å; L872-Y901 HydrophobicContact CB-CG 4.27Å; L872-Y901 VanDerWaalsContact O-CB 3.31Å; L872-Y901 WeakPolarHBondContact O-CB 3.41Å; L872-Y901 PolarHBondContact O-N 3.06Å; L872-F946 HydrophobicContact CD1-CB 4.23Å; L872-F946 HydrophobicContact CD1-CD1 3.34Å; L872-F946 HydrophobicContact CD1-CE1 3.97Å; L872-F946 HydrophobicContact CD1-CG 4.06Å; L872-F946 HydrophobicContact CG-CD1 3.74Å; L872-F946 HydrophobicContact CG-CE1 3.95Å; L872-F946 HydrophobicContact CG-CG 4.42Å; L872-L949 HydrophobicContact CD1-CD1 3.63Å
873	V	88.2	Confident	82.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130	178	-179.2	0	0	0	0	110.5	Y817 K849 L854 E898	Y817-V873 HydrophobicContact CD2-CG2 4.1Å; Y817-V873 HydrophobicContact CE2-CG2 4.09Å; K849-V873 HydrophobicContact CB-CB 4.37Å; K849-V873 PolarHBondContact N-O 2.9Å; L854-V873 HydrophobicContact CD1-CG2 3.77Å; L854-V873 HydrophobicContact CG-CG2 3.95Å; V873-E898 HydrophobicContact CG1-CB 3.82Å; V873-E898 HydrophobicContact CG1-CG 4.08Å
874	V	91.8	Very high	82.6	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.9	168.9	-178.6	0	0	0	0	108.2	F846 V848 E898 M899 Y901 F904	F846-V874 HydrophobicContact CD1-CG1 4.35Å; V848-V874 HydrophobicContact CG2-CG2 4.27Å; V874-E898 WeakPolarHBondContact O-CA 3.44Å; V874-M899 HydrophobicContact CB-CG 3.93Å; V874-M899 HydrophobicContact CG1-CG 4.48Å; V874-M899 PolarHBondContact N-O 2.99Å; V874-M899 PolarHBondContact O-N 2.97Å; V874-Y901 HydrophobicContact CG2-CD2 3.67Å; V874-Y901 HydrophobicContact CG2-CG 4.3Å; V874-F904 HydrophobicContact CG1-CD2 4.23Å; V874-F904 HydrophobicContact CG1-CE2 4.42Å; V874-F904 HydrophobicContact CG2-CB 4.17Å; V874-F904 HydrophobicContact CG2-CD1 4.39Å; V874-F904 HydrophobicContact CG2-CG 4.19Å
875	S	93	Very high	83.3	Confident	10 Å²	10	42.6 Å²	42.6	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.2	175.1	59.8	0	0	0	0	110.5	F846 D847 K849 I897	F846-S875 WeakPolarHBondContact CA-O 3.41Å; D847-S875 PolarHBondContact N-O 2.88Å; D847-S875 PolarHBondContact O-N 3.37Å; D847-S875 PolarHBondContact O-OG 3.11Å; K849-S875 WeakPolarHBondContact CE-OG 3.48Å; S875-I897 WeakPolarHBondContact CA-O 3.45Å
876	A	94.4	Very high	83.9	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.017	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.1	171.4	0	0	0	0	0	109.8	F844 V845 F846 G896 I897	F844-A876 HydrophobicContact CD1-CB 4.21Å; V845-A876 CarbonylContact O-C 3.54Å; V845-A876 WeakPolarHBondContact O-CA 3.15Å; F846-A876 HydrophobicContact CD1-CB 3.61Å; F846-A876 HydrophobicContact CE1-CB 3.44Å; F846-A876 VanDerWaalsContact CE1-CB 3.44Å; F846-A876 HydrophobicContact CG-CB 4.29Å; F846-A876 HydrophobicContact CZ-CB 3.99Å; A876-G896 CarbonylContact O-C 3.51Å; A876-G896 WeakPolarHBondContact O-CA 3.44Å; A876-I897 HydrophobicContact CB-CD1 4.45Å; A876-I897 HydrophobicContact CB-CG1 3.86Å; A876-I897 PolarHBondContact N-O 3.43Å; A876-I897 PolarHBondContact O-N 2.84Å
877	A	95	Very high	84.5	Confident	6 Å²	6	51.5 Å²	51.5	5%	0.05	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.1	179.4	0	0	0	0	0	111.9	F832 A836 V845 V894 V895	F832-A877 HydrophobicContact CD2-CB 4.24Å; A836-A877 HydrophobicContact CB-CB 4.25Å; V845-A877 PolarHBondContact N-O 2.89Å; V845-A877 PolarHBondContact O-N 3.19Å; A877-V894 HydrophobicContact CB-CG1 4.01Å; A877-V895 CarbonylContact C-O 3.56Å; A877-V895 WeakPolarHBondContact CA-O 3.32Å
878	R	94.6	Very high	85.6	Confident	14 Å²	14	49.7 Å²	49.7	5%	0.053	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136.1	178	170	177.9	166	177.5	-3.3	110.5	Y49 E62 G842 F844 V894 V895	Y49-R878 PolarHBondContact OH-NH1 3.34Å; E62-R878 IonicContact OE1-NH2 2.74Å; E62-R878 PolarHBondContact OE1-NH2 3.18Å; G842-R878 WeakPolarHBondContact O-CD 3.38Å; G842-R878 PolarHBondContact O-NE 2.88Å; F844-R878 HydrophobicContact CD1-CB 3.53Å; F844-R878 HydrophobicContact CD2-CB 4.39Å; F844-R878 HydrophobicContact CE1-CB 3.46Å; F844-R878 VanDerWaalsContact CE1-CB 3.46Å; F844-R878 HydrophobicContact CE1-CG 4.48Å; F844-R878 HydrophobicContact CE2-CB 4.36Å; F844-R878 HydrophobicContact CG-CB 4.01Å; F844-R878 HydrophobicContact CZ-CB 3.91Å; F844-R878 HydrophobicContact CZ-CG 4.49Å; R878-V894 WeakPolarHBondContact O-CA 3.34Å; R878-V895 PolarHBondContact N-O 3.37Å; R878-V895 PolarHBondContact O-N 3.23Å
879	A	92.9	Very high	86.5	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.1	173.3	0	0	0	0	0	111.9	A836 L837 F881 V894	A836-A879 HydrophobicContact CB-CB 4.47Å; L837-A879 HydrophobicContact CD2-CB 4.11Å; A879-F881 HydrophobicContact CB-CD2 4.39Å; A879-F881 HydrophobicContact CB-CE2 3.56Å; A879-F881 HydrophobicContact CB-CZ 3.82Å; A879-V894 HydrophobicContact CB-CG2 4.41Å
880	V	92.5	Very high	87.2	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.5	177	167.7	0	0	0	0	107.8	A58 L61 E62 Y65 A892 S893 V895	A58-V880 HydrophobicContact CB-CG2 4.39Å; L61-V880 HydrophobicContact CD2-CG1 4.35Å; L61-V880 HydrophobicContact CD2-CG2 4.46Å; L61-V880 HydrophobicContact CG-CG1 4.27Å; E62-V880 HydrophobicContact CG-CG1 3.73Å; Y65-V880 HydrophobicContact CD2-CG1 4.22Å; Y65-V880 HydrophobicContact CE2-CG1 4.3Å; V880-A892 PolarHBondContact O-N 3Å; V880-S893 WeakPolarHBondContact CB-O 3.02Å; V880-S893 PolarHBondContact N-O 3.5Å; V880-S893 PolarHBondContact O-N 2.93Å; V880-V895 HydrophobicContact CG2-CG1 4.01Å; V880-V895 HydrophobicContact CG2-CG2 3.93Å
881	F	89.8	Confident	87.7	Confident	19 Å²	19	39.2 Å²	39.2	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	134	-175.9	-63.2	-92.2	0	0	0	111.1	L837 V840 A879 A890 P891	L837-F881 HydrophobicContact CD2-CZ 4.47Å; V840-F881 HydrophobicContact CB-CZ 4.29Å; V840-F881 HydrophobicContact CG1-CE1 4.28Å; V840-F881 HydrophobicContact CG1-CE2 4.11Å; V840-F881 HydrophobicContact CG1-CZ 3.86Å; V840-F881 HydrophobicContact CG2-CZ 4.33Å; A879-F881 HydrophobicContact CB-CD2 4.39Å; A879-F881 HydrophobicContact CB-CE2 3.56Å; A879-F881 HydrophobicContact CB-CZ 3.82Å; F881-A890 CarbonylContact C-O 3.59Å; F881-A890 VanDerWaalsContact CA-O 3.31Å; F881-A890 WeakPolarHBondContact CA-O 3.02Å; F881-P891 HydrophobicContact CD1-CB 3.99Å; F881-P891 HydrophobicContact CE1-CB 3.82Å; F881-P891 HydrophobicContact CE1-CG 4.44Å
882	A	88.1	Confident	88	Confident	5 Å²	5	39.2 Å²	39.2	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	139.8	163.6	0	0	0	0	0	108.8	V70 V72 I666 T889 A890 A892	V70-A882 HydrophobicContact CG1-CB 4.49Å; V72-A882 HydrophobicContact CG2-CB 4.28Å; I666-A882 HydrophobicContact CD1-CB 3.99Å; I666-A882 HydrophobicContact CG1-CB 4.28Å; A882-T889 CarbonylContact O-C 3.5Å; A882-T889 VanDerWaalsContact O-CA 3.31Å; A882-T889 WeakPolarHBondContact O-CA 2.89Å; A882-A890 PolarHBondContact N-O 3.21Å; A882-A890 PolarHBondContact O-N 3.01Å; A882-A892 HydrophobicContact CB-CB 4.34Å
883	R	84.9	Confident	88.3	Confident	164 Å²	164	39.2 Å²	39.2	62%	0.619	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.9	-178.8	-52.6	-166.1	177.4	-176	-2.9	109.9	H888 T889	R883-H888 WeakPolarHBondContact CA-O 3.32Å; R883-T889 HydrophobicContact CG-CG2 3.85Å
884	D	80.2	Confident	88.6	Confident	35 Å²	35	39.2 Å²	39.2	19%	0.187	20%	0.197	C	C	.	.			trans	-85.3	171.4	169.2	77.4	-0.1	0	0	0	111.5	V72 R886 G887 H888	V72-D884 HydrophobicContact CB-CB 4.21Å; V72-D884 HydrophobicContact CG2-CB 4.44Å; D884-R886 PolarHBondContact O-N 2.89Å; D884-R886 VanDerWaalsContact OD1-C 3.31Å; D884-R886 WeakPolarHBondContact OD1-CA 3.22Å; D884-R886 WeakPolarHBondContact OD1-CB 3.21Å; D884-R886 PolarHBondContact OD1-N 3.13Å; D884-G887 PolarHBondContact O-N 3.45Å; D884-G887 PolarHBondContact OD1-N 3.07Å; D884-H888 PolarHBondContact N-O 3.4Å; D884-H888 IonicContact OD1-CG 2.76Å; D884-H888 PolarHBondContact OD1-N 3.38Å; D884-H888 IonicContact OD1-ND1 3.25Å; D884-H888 IonicContact OD2-CE1 3.78Å; D884-H888 IonicContact OD2-CG 3.94Å; D884-H888 IonicContact OD2-ND1 2.89Å; D884-H888 PolarHBondContact OD2-ND1 3.27Å
885	D	79.1	Confident	88.8	Confident	165 Å²	165	39.1 Å²	39.1	88%	0.882	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.8	177.8	-65.2	-35.8	0	0	0	113.3
886	R	79.8	Confident	88.9	Confident	212 Å²	212	38.7 Å²	38.7	80%	0.8	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.6	179.7	-59.6	-179.5	-177.1	-179.4	3	112.6	D884	D884-R886 PolarHBondContact O-N 2.89Å; D884-R886 VanDerWaalsContact OD1-C 3.31Å; D884-R886 WeakPolarHBondContact OD1-CA 3.22Å; D884-R886 WeakPolarHBondContact OD1-CB 3.21Å; D884-R886 PolarHBondContact OD1-N 3.13Å
887	G	81.4	Confident	88.9	Confident	56 Å²	56	38.7 Å²	38.7	58%	0.577	19%	0.193	S	C	*	.	S	Bend	trans	90.7	4.7	179.4	0	0	0	0	0	114.7	D884	D884-G887 PolarHBondContact O-N 3.45Å; D884-G887 PolarHBondContact OD1-N 3.07Å
888	H	84.4	Confident	88.7	Confident	61 Å²	61	38.5 Å²	38.5	28%	0.282	19%	0.191	S	C	.	.			trans	-72.3	141.6	170.8	-50.1	116.9	0	0	0	110.2	V72 Y664 R883 D884	V72-H888 HydrophobicContact CG1-CB 4.26Å; Y664-H888 HydrophobicContact CD1-CB 3.92Å; Y664-H888 HydrophobicContact CE1-CB 3.8Å; Y664-H888 AromaticContact CE1-CD2 3.59Å; Y664-H888 AromaticContact CE1-CG 3.56Å; Y664-H888 HydrophobicContact CG-CB 4.32Å; Y664-H888 AromaticContact CZ-CD2 3.27Å; Y664-H888 AromaticContact CZ-CG 3.75Å; Y664-H888 AromaticContact CZ-NE2 3.88Å; Y664-H888 PolarHBondContact OH-CD2 3.17Å; Y664-H888 PolarHBondContact OH-NE2 3.13Å; R883-H888 WeakPolarHBondContact CA-O 3.32Å; D884-H888 PolarHBondContact N-O 3.4Å; D884-H888 IonicContact OD1-CG 2.76Å; D884-H888 PolarHBondContact OD1-N 3.38Å; D884-H888 IonicContact OD1-ND1 3.25Å; D884-H888 IonicContact OD2-CE1 3.78Å; D884-H888 IonicContact OD2-CG 3.94Å; D884-H888 IonicContact OD2-ND1 2.89Å; D884-H888 PolarHBondContact OD2-ND1 3.27Å
889	T	85.6	Confident	88.6	Confident	53 Å²	53	38 Å²	38	33%	0.325	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.7	-176.2	62.8	0	0	0	0	110.7	A882 R883	A882-T889 CarbonylContact O-C 3.5Å; A882-T889 VanDerWaalsContact O-CA 3.31Å; A882-T889 WeakPolarHBondContact O-CA 2.89Å; R883-T889 HydrophobicContact CG-CG2 3.85Å
890	A	88.1	Confident	88.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.1	170.6	0	0	0	0	0	110.6	V72 I666 F881 A882 A892	V72-A890 HydrophobicContact CB-CB 4.44Å; V72-A890 HydrophobicContact CG1-CB 3.75Å; V72-A890 HydrophobicContact CG2-CB 3.97Å; I666-A890 HydrophobicContact CG1-CB 4.06Å; F881-A890 CarbonylContact C-O 3.59Å; F881-A890 VanDerWaalsContact CA-O 3.31Å; F881-A890 WeakPolarHBondContact CA-O 3.02Å; A882-A890 PolarHBondContact N-O 3.21Å; A882-A890 PolarHBondContact O-N 3.01Å; A890-A892 PolarHBondContact O-N 2.86Å
891	P	88.4	Confident	88.2	Confident	17 Å²	17	37.9 Å²	37.9	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.1	175.6	21.9	-24.7	0	0	0	110.2	A522 L837 F881	A522-P891 HydrophobicContact CB-CB 4.07Å; A522-P891 HydrophobicContact CB-CG 3.25Å; L837-P891 HydrophobicContact CD2-CB 3.52Å; L837-P891 HydrophobicContact CD2-CG 4.28Å; F881-P891 HydrophobicContact CD1-CB 3.99Å; F881-P891 HydrophobicContact CE1-CB 3.82Å; F881-P891 HydrophobicContact CE1-CG 4.44Å
892	A	89.6	Confident	88	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-48.9	-175.5	0	0	0	0	0	111.6	Y65 I666 R742 H777 V880 A882 A890	Y65-A892 HydrophobicContact CD1-CB 4.21Å; Y65-A892 HydrophobicContact CD2-CB 3.97Å; Y65-A892 HydrophobicContact CE1-CB 3.9Å; Y65-A892 HydrophobicContact CE2-CB 3.62Å; Y65-A892 HydrophobicContact CG-CB 4.26Å; I666-A892 HydrophobicContact CD1-CB 3.67Å; R742-A892 PolarHBondContact NH2-O 2.9Å; H777-A892 PolarHBondContact N-O 3.08Å; V880-A892 PolarHBondContact O-N 3Å; A882-A892 HydrophobicContact CB-CB 4.34Å; A890-A892 PolarHBondContact O-N 2.86Å
893	S	92.5	Very high	88.1	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	170.6	-176.6	56.9	0	0	0	0	111.7	L61 A775 V880	L61-S893 WeakPolarHBondContact CD2-OG 3.32Å; A775-S893 CarbonylContact O-C 3.57Å; A775-S893 VanDerWaalsContact O-CA 3.27Å; A775-S893 WeakPolarHBondContact O-CA 2.94Å; A775-S893 VanDerWaalsContact O-CB 3.26Å; A775-S893 WeakPolarHBondContact O-CB 3.27Å; V880-S893 WeakPolarHBondContact CB-O 3.02Å; V880-S893 PolarHBondContact N-O 3.5Å; V880-S893 PolarHBondContact O-N 2.93Å
894	V	94.6	Very high	88.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.8	170.3	173.6	0	0	0	0	107.6	L774 A775 F832 Y833 A836 A877 R878 A879	L774-V894 CarbonylContact C-O 3.57Å; L774-V894 WeakPolarHBondContact CA-O 3.33Å; A775-V894 PolarHBondContact N-O 2.91Å; A775-V894 PolarHBondContact O-N 2.99Å; F832-V894 HydrophobicContact CD2-CG1 4.07Å; F832-V894 HydrophobicContact CE2-CB 4.49Å; F832-V894 HydrophobicContact CE2-CG1 4.03Å; Y833-V894 HydrophobicContact CD1-CG2 4.12Å; Y833-V894 HydrophobicContact CD2-CB 3.68Å; Y833-V894 HydrophobicContact CD2-CG2 3.49Å; Y833-V894 VanDerWaalsContact CD2-CG2 3.49Å; Y833-V894 HydrophobicContact CE1-CG2 4.2Å; Y833-V894 HydrophobicContact CE2-CB 3.88Å; Y833-V894 HydrophobicContact CE2-CG2 3.57Å; Y833-V894 HydrophobicContact CG-CB 4.33Å; Y833-V894 HydrophobicContact CG-CG2 3.77Å; A836-V894 HydrophobicContact CB-CG1 3.72Å; A836-V894 HydrophobicContact CB-CG2 4.06Å; A877-V894 HydrophobicContact CB-CG1 4.01Å; R878-V894 WeakPolarHBondContact O-CA 3.34Å; A879-V894 HydrophobicContact CB-CG2 4.41Å
895	V	95.2	Very high	88.6	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	152.5	175.9	-62.1	0	0	0	0	109.8	T56 A58 L61 F773 L774 A877 R878 V880	T56-V895 HydrophobicContact CG2-CB 4.32Å; T56-V895 HydrophobicContact CG2-CG2 4.16Å; A58-V895 HydrophobicContact CB-CG2 3.72Å; L61-V895 HydrophobicContact CD2-CG1 3.63Å; F773-V895 WeakPolarHBondContact O-CA 3.44Å; L774-V895 HydrophobicContact CB-CG1 4.03Å; A877-V895 CarbonylContact C-O 3.56Å; A877-V895 WeakPolarHBondContact CA-O 3.32Å; R878-V895 PolarHBondContact N-O 3.37Å; R878-V895 PolarHBondContact O-N 3.23Å; V880-V895 HydrophobicContact CG2-CG1 4.01Å; V880-V895 HydrophobicContact CG2-CG2 3.93Å
896	G	95.1	Very high	88.9	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	176.1	178.6	0	0	0	0	0	114.7	A772 F773 A876	A772-G896 WeakPolarHBondContact CA-O 3.38Å; F773-G896 VanDerWaalsContact CE1-C 3.43Å; F773-G896 VanDerWaalsContact CZ-CA 3.49Å; F773-G896 PolarHBondContact N-O 3.01Å; F773-G896 PolarHBondContact O-N 3.18Å; A876-G896 CarbonylContact O-C 3.51Å; A876-G896 WeakPolarHBondContact O-CA 3.44Å
897	I	94.2	Very high	89.4	Confident	3 Å²	3	13.6 Å²	13.6	2%	0.015	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.3	177.8	53.5	167	0	0	0	110.7	A52 A55 T56 I769 M771 A772 S875 A876	A52-I897 HydrophobicContact CB-CD1 3.95Å; A55-I897 HydrophobicContact CB-CG2 3.79Å; T56-I897 HydrophobicContact CG2-CG2 3.79Å; I769-I897 HydrophobicContact CD1-CD1 3.72Å; I769-I897 HydrophobicContact CG1-CD1 4.08Å; I769-I897 HydrophobicContact CG2-CB 4.24Å; I769-I897 HydrophobicContact CG2-CG2 4.17Å; M771-I897 CarbonylContact O-C 3.31Å; M771-I897 VanDerWaalsContact O-CA 3.23Å; M771-I897 WeakPolarHBondContact O-CA 3.27Å; M771-I897 WeakPolarHBondContact O-CB 3.37Å; A772-I897 HydrophobicContact CB-CG2 4.27Å; S875-I897 WeakPolarHBondContact CA-O 3.45Å; A876-I897 HydrophobicContact CB-CD1 4.45Å; A876-I897 HydrophobicContact CB-CG1 3.86Å; A876-I897 PolarHBondContact N-O 3.43Å; A876-I897 PolarHBondContact O-N 2.84Å
898	E	92.5	Very high	89.8	Confident	1 Å²	1	11 Å²	11	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.1	159.4	-60.1	-171.3	155.4	0	0	109.4	H770 M771 Y817 F820 V873 V874	H770-E898 WeakPolarHBondContact CE1-CB 3.41Å; H770-E898 IonicContact CE1-OE2 2.74Å; H770-E898 PolarHBondContact N-O 3.48Å; H770-E898 VanDerWaalsContact N-O 3.13Å; H770-E898 PolarHBondContact ND1-O 3.35Å; H770-E898 WeakPolarHBondContact NE2-CB 3.26Å; H770-E898 IonicContact NE2-OE2 2.65Å; H770-E898 PolarHBondContact NE2-OE2 2.83Å; M771-E898 HydrophobicContact CB-CB 4.09Å; M771-E898 HydrophobicContact CB-CG 4.45Å; M771-E898 PolarHBondContact N-O 3.48Å; M771-E898 PolarHBondContact O-N 3.01Å; M771-E898 HydrophobicContact SD-CG 4.37Å; Y817-E898 WeakPolarHBondContact CE2-OE2 3.4Å; Y817-E898 PolarHBondContact OH-OE2 2.92Å; F820-E898 HydrophobicContact CD2-CG 4.49Å; F820-E898 WeakPolarHBondContact CD2-OE1 3.47Å; V873-E898 HydrophobicContact CG1-CB 3.82Å; V873-E898 HydrophobicContact CG1-CG 4.08Å; V874-E898 WeakPolarHBondContact O-CA 3.44Å
899	M	91.6	Very high	89.9	Confident	4 Å²	4	11.2 Å²	11.2	2%	0.02	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	160.5	177.7	69.3	-179.1	-67.1	0	0	111.9	K767 G768 I769 V874 Y901 F904 M907	K767-M899 WeakPolarHBondContact O-CE 3.5Å; G768-M899 CarbonylContact O-C 3.55Å; G768-M899 WeakPolarHBondContact O-CA 3.42Å; I769-M899 HydrophobicContact CG1-CB 3.96Å; V874-M899 HydrophobicContact CB-CG 3.93Å; V874-M899 HydrophobicContact CG1-CG 4.48Å; V874-M899 PolarHBondContact N-O 2.99Å; V874-M899 PolarHBondContact O-N 2.97Å; M899-Y901 PolarHBondContact O-N 2.84Å; M899-F904 HydrophobicContact CE-CB 3.87Å; M899-F904 HydrophobicContact SD-CB 4.35Å; M899-F904 HydrophobicContact SD-CD2 4.25Å; M899-M907 HydrophobicContact CE-CE 3.78Å; M899-M907 HydrophobicContact CE-SD 4.18Å
900	L	89.3	Confident	90	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	131.1	172.2	-64.8	175.7	0	0	0	111.4	G768 L788 I791 L854 Y863 T902 S903 F904	G768-L900 PolarHBondContact O-N 3.31Å; L788-L900 HydrophobicContact CD1-CD1 4.39Å; I791-L900 HydrophobicContact CD1-CD1 3.67Å; I791-L900 HydrophobicContact CD1-CD2 3.6Å; I791-L900 HydrophobicContact CD1-CG 3.9Å; L854-L900 HydrophobicContact CB-CD2 4.12Å; L854-L900 HydrophobicContact CD1-CD2 3.71Å; Y863-L900 HydrophobicContact CD1-CD1 4.03Å; Y863-L900 HydrophobicContact CD2-CD1 4.24Å; Y863-L900 HydrophobicContact CE1-CD1 3.74Å; Y863-L900 HydrophobicContact CE2-CD1 3.96Å; Y863-L900 HydrophobicContact CG-CD1 4.28Å; L900-T902 PolarHBondContact O-N 3.19Å; L900-S903 PolarHBondContact O-N 3.3Å; L900-F904 PolarHBondContact O-N 3.32Å; L900-F904 VanDerWaalsContact O-N 3.13Å
901	Y	88.9	Confident	90	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.5	-36.4	171	-177.7	-89.1	0	0	0	112.5	V848 S871 L872 V874 M899 S903 F904 E905 V934 Y935 F946 L949	V848-Y901 HydrophobicContact CG1-CD2 4.16Å; V848-Y901 HydrophobicContact CG2-CD2 4.46Å; V848-Y901 HydrophobicContact CG2-CE2 4.43Å; S871-Y901 PolarHBondContact OG-N 3.29Å; L872-Y901 HydrophobicContact CB-CG 4.27Å; L872-Y901 VanDerWaalsContact O-CB 3.31Å; L872-Y901 WeakPolarHBondContact O-CB 3.41Å; L872-Y901 PolarHBondContact O-N 3.06Å; V874-Y901 HydrophobicContact CG2-CD2 3.67Å; V874-Y901 HydrophobicContact CG2-CG 4.3Å; M899-Y901 PolarHBondContact O-N 2.84Å; Y901-S903 VanDerWaalsContact C-N 3.34Å; Y901-S903 PolarHBondContact O-N 3.06Å; Y901-F904 WeakPolarHBondContact O-CB 3.35Å; Y901-F904 PolarHBondContact O-N 2.91Å; Y901-E905 HydrophobicContact CE1-CB 4.46Å; Y901-E905 PolarHBondContact O-N 2.92Å; Y901-V934 WeakPolarHBondContact CE2-O 3.46Å; Y901-Y935 WeakPolarHBondContact OH-CD2 3.39Å; Y901-F946 HydrophobicContact CD1-CD1 4.49Å; Y901-F946 AromaticContact CD1-CE1 3.73Å; Y901-F946 HydrophobicContact CD1-CE1 3.73Å; Y901-F946 HydrophobicContact CE1-CD1 4.46Å; Y901-F946 AromaticContact CE1-CE1 3.97Å; Y901-F946 HydrophobicContact CE1-CE1 3.97Å; Y901-F946 HydrophobicContact CG-CE1 4.5Å; Y901-L949 HydrophobicContact CD2-CD1 4.2Å; Y901-L949 HydrophobicContact CE1-CD1 4.12Å; Y901-L949 HydrophobicContact CE2-CD1 3.54Å; Y901-L949 HydrophobicContact CE2-CD2 4.19Å; Y901-L949 VanDerWaalsContact CZ-CD1 3.5Å; Y901-L949 WeakPolarHBondContact OH-CD2 3.32Å
902	T	85.6	Confident	89.9	Confident	5 Å²	5	11.8 Å²	11.8	3%	0.031	6%	0.058	C	C	.	.	H	α-helix	trans	-63.5	-37.7	178.3	50.9	0	0	0	0	112.6	A866 S871 L900 E906	A866-T902 HydrophobicContact CB-CG2 3.91Å; S871-T902 PolarHBondContact OG-N 2.71Å; L900-T902 PolarHBondContact O-N 3.19Å; T902-E906 PolarHBondContact O-N 3.35Å
903	S	88.2	Confident	89.7	Confident	4 Å²	4	18.1 Å²	18.1	3%	0.028	9%	0.087	C	C	.	.	H	α-helix	trans	-70.7	-36.4	172.9	-59.5	0	0	0	0	112.4	K767 G768 Y863 L900 Y901 E906 M907	K767-S903 WeakPolarHBondContact O-CB 3.24Å; G768-S903 WeakPolarHBondContact CA-OG 3.2Å; Y863-S903 WeakPolarHBondContact CE1-OG 3.35Å; L900-S903 PolarHBondContact O-N 3.3Å; Y901-S903 VanDerWaalsContact C-N 3.34Å; Y901-S903 PolarHBondContact O-N 3.06Å; S903-E906 PolarHBondContact O-N 2.95Å; S903-M907 WeakPolarHBondContact O-CG 3.4Å; S903-M907 PolarHBondContact O-N 3.12Å; S903-M907 VanDerWaalsContact O-N 3.11Å
904	F	90.2	Very high	89.1	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-42.1	174	179.8	-95.8	0	0	0	111.8	F44 L48 F846 V874 M899 L900 Y901 M907 M908 L926 V934 M1071	F44-F904 HydrophobicContact CE1-CE2 4.48Å; F44-F904 HydrophobicContact CE1-CZ 4.25Å; F44-F904 HydrophobicContact CZ-CD2 4.38Å; F44-F904 HydrophobicContact CZ-CE1 4.22Å; F44-F904 AromaticContact CZ-CE2 3.77Å; F44-F904 HydrophobicContact CZ-CE2 3.77Å; F44-F904 AromaticContact CZ-CZ 3.68Å; F44-F904 HydrophobicContact CZ-CZ 3.68Å; L48-F904 HydrophobicContact CD1-CE2 3.78Å; L48-F904 HydrophobicContact CD2-CD2 3.88Å; L48-F904 HydrophobicContact CD2-CE2 3.95Å; F846-F904 HydrophobicContact CD1-CE2 4.34Å; V874-F904 HydrophobicContact CG1-CD2 4.23Å; V874-F904 HydrophobicContact CG1-CE2 4.42Å; V874-F904 HydrophobicContact CG2-CB 4.17Å; V874-F904 HydrophobicContact CG2-CD1 4.39Å; V874-F904 HydrophobicContact CG2-CG 4.19Å; M899-F904 HydrophobicContact CE-CB 3.87Å; M899-F904 HydrophobicContact SD-CB 4.35Å; M899-F904 HydrophobicContact SD-CD2 4.25Å; L900-F904 PolarHBondContact O-N 3.32Å; L900-F904 VanDerWaalsContact O-N 3.13Å; Y901-F904 WeakPolarHBondContact O-CB 3.35Å; Y901-F904 PolarHBondContact O-N 2.91Å; F904-M907 PolarHBondContact O-N 3.37Å; F904-M908 PolarHBondContact O-N 2.93Å; F904-L926 HydrophobicContact CE1-CD1 3.86Å; F904-L926 HydrophobicContact CZ-CD1 3.78Å; F904-V934 HydrophobicContact CE1-CG1 4.2Å; F904-V934 HydrophobicContact CZ-CG1 4.13Å; F904-M1071 HydrophobicContact CE2-CE 4.45Å; F904-M1071 HydrophobicContact CZ-CE 4.3Å; F904-M1071 HydrophobicContact CZ-SD 4Å
905	E	86.8	Confident	88.5	Confident	14 Å²	14	28.9 Å²	28.9	7%	0.065	13%	0.132	C	C	.	.	H	α-helix	trans	-62.2	-42.9	173.5	172.3	169.5	-133.3	0	0	111.8	L865 Y901 M907 M908 Y909 Y935	L865-E905 HydrophobicContact CD1-CG 3.96Å; Y901-E905 HydrophobicContact CE1-CB 4.46Å; Y901-E905 PolarHBondContact O-N 2.92Å; E905-M907 VanDerWaalsContact C-N 3.33Å; E905-M907 PolarHBondContact O-N 3.36Å; E905-M908 PolarHBondContact O-N 3.1Å; E905-M908 VanDerWaalsContact O-N 3.15Å; E905-Y909 WeakPolarHBondContact O-CB 3.41Å; E905-Y909 PolarHBondContact O-N 3.35Å; E905-Y935 HydrophobicContact CB-CE2 4.14Å; E905-Y935 HydrophobicContact CG-CE2 3.79Å
906	E	85.9	Confident	87.8	Confident	62 Å²	62	28.9 Å²	28.9	29%	0.29	13%	0.132	S	C	.	.	H	α-helix	trans	-61.5	-40.1	177.9	-167.6	178.9	177.4	0	0	112.3	L865 T902 S903 M908 Y909 N910	L865-E906 HydrophobicContact CD1-CB 3.95Å; L865-E906 HydrophobicContact CD1-CG 4.4Å; T902-E906 PolarHBondContact O-N 3.35Å; S903-E906 PolarHBondContact O-N 2.95Å; E906-M908 VanDerWaalsContact C-N 3.34Å; E906-M908 PolarHBondContact O-N 3.23Å; E906-Y909 PolarHBondContact O-N 3.11Å; E906-N910 WeakPolarHBondContact O-CB 3.45Å; E906-N910 PolarHBondContact O-N 2.95Å; E906-N910 PolarHBondContact O-ND2 2.89Å
907	M	89.4	Confident	86.8	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.025	16%	0.156	C	C	.	.	H	α-helix	trans	-59.7	-44.3	173.6	-69.7	174.6	-173.3	0	0	111.4	F44 L48 T51 K767 M899 S903 F904 E905 N910 A911	F44-M907 HydrophobicContact CD2-CB 4.2Å; F44-M907 HydrophobicContact CE2-CB 3.88Å; L48-M907 HydrophobicContact CD2-SD 3.55Å; L48-M907 VanDerWaalsContact CD2-SD 3.55Å; L48-M907 HydrophobicContact CG-SD 4.4Å; T51-M907 HydrophobicContact CG2-CE 4.23Å; K767-M907 HydrophobicContact CB-CE 3.7Å; K767-M907 HydrophobicContact CD-CE 3.66Å; K767-M907 HydrophobicContact CG-CE 3.98Å; M899-M907 HydrophobicContact CE-CE 3.78Å; M899-M907 HydrophobicContact CE-SD 4.18Å; S903-M907 WeakPolarHBondContact O-CG 3.4Å; S903-M907 PolarHBondContact O-N 3.12Å; S903-M907 VanDerWaalsContact O-N 3.11Å; F904-M907 PolarHBondContact O-N 3.37Å; E905-M907 VanDerWaalsContact C-N 3.33Å; E905-M907 PolarHBondContact O-N 3.36Å; M907-N910 PolarHBondContact O-N 3.13Å; M907-A911 VanDerWaalsContact O-CB 3.26Å; M907-A911 WeakPolarHBondContact O-CB 3.42Å; M907-A911 PolarHBondContact O-N 2.92Å
908	M	89	Confident	85.4	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-41.1	178.5	-174.7	59.2	-159.2	0	0	111.8	F44 F904 E905 E906 N910 A911 S912 C916 L926 Y935 L1073	F44-M908 HydrophobicContact CB-SD 4.48Å; F44-M908 HydrophobicContact CD1-SD 4.04Å; F44-M908 HydrophobicContact CD2-CB 4.13Å; F44-M908 HydrophobicContact CD2-SD 3.97Å; F44-M908 HydrophobicContact CE1-SD 4.18Å; F44-M908 HydrophobicContact CE2-CB 3.67Å; F44-M908 HydrophobicContact CE2-CG 4.45Å; F44-M908 HydrophobicContact CE2-SD 4.12Å; F44-M908 HydrophobicContact CG-SD 3.91Å; F44-M908 HydrophobicContact CZ-CB 4.12Å; F44-M908 HydrophobicContact CZ-SD 4.2Å; F904-M908 PolarHBondContact O-N 2.93Å; E905-M908 PolarHBondContact O-N 3.1Å; E905-M908 VanDerWaalsContact O-N 3.15Å; E906-M908 VanDerWaalsContact C-N 3.34Å; E906-M908 PolarHBondContact O-N 3.23Å; M908-N910 VanDerWaalsContact C-N 3.35Å; M908-N910 PolarHBondContact O-N 2.78Å; M908-A911 PolarHBondContact O-N 3.46Å; M908-S912 VanDerWaalsContact O-CB 3.28Å; M908-S912 WeakPolarHBondContact O-CB 3.36Å; M908-S912 PolarHBondContact O-N 2.87Å; M908-S912 PolarHBondContact O-OG 3.06Å; M908-C916 HydrophobicContact CE-CB 4.3Å; M908-L926 HydrophobicContact SD-CD1 4.43Å; M908-L926 HydrophobicContact SD-CD2 4.46Å; M908-Y935 HydrophobicContact CG-CD1 4.06Å; M908-Y935 HydrophobicContact CG-CE1 3.68Å; M908-L1073 HydrophobicContact CE-CD1 3.52Å; M908-L1073 HydrophobicContact CE-CD2 4.2Å
909	Y	86.7	Confident	84	Confident	65 Å²	65	46 Å²	46	26%	0.255	20%	0.203	S	C	.	.	H	α-helix	trans	-59.4	-45.3	175.3	175	-101.6	0	0	0	111.6	E905 E906 S912 R914 R917	E905-Y909 WeakPolarHBondContact O-CB 3.41Å; E905-Y909 PolarHBondContact O-N 3.35Å; E906-Y909 PolarHBondContact O-N 3.11Å; Y909-S912 PolarHBondContact O-OG 2.78Å; Y909-S912 VanDerWaalsContact O-OG 3.06Å; Y909-R914 HydrophobicContact CD1-CG 4.32Å; Y909-R914 HydrophobicContact CD2-CB 4.44Å; Y909-R914 HydrophobicContact CE1-CB 4.14Å; Y909-R914 HydrophobicContact CE1-CG 3.65Å; Y909-R914 HydrophobicContact CE2-CB 3.74Å; Y909-R914 HydrophobicContact CE2-CG 4.19Å; Y909-R914 VanDerWaalsContact O-CA 3.29Å; Y909-R914 WeakPolarHBondContact O-CA 3.4Å; Y909-R914 PolarHBondContact O-N 2.88Å; Y909-R917 HydrophobicContact CD2-CB 3.89Å; Y909-R917 HydrophobicContact CE2-CB 3.61Å
910	N	88.2	Confident	82.9	Confident	76 Å²	76	47.1 Å²	47.1	41%	0.406	21%	0.211	S	C	.	.	H	α-helix	trans	-69.9	-44.3	178.5	-73	-30.2	0	0	0	112.3	E906 M907 M908 S912 Q913	E906-N910 WeakPolarHBondContact O-CB 3.45Å; E906-N910 PolarHBondContact O-N 2.95Å; E906-N910 PolarHBondContact O-ND2 2.89Å; M907-N910 PolarHBondContact O-N 3.13Å; M908-N910 VanDerWaalsContact C-N 3.35Å; M908-N910 PolarHBondContact O-N 2.78Å; N910-S912 VanDerWaalsContact C-N 3.29Å; N910-S912 PolarHBondContact O-N 2.81Å; N910-Q913 PolarHBondContact O-N 2.8Å
911	A	88.7	Confident	81.9	Confident	7 Å²	7	50.3 Å²	50.3	6%	0.058	24%	0.238	C	C	.	.	H	α-helix	trans	-64.7	-32.6	179.8	0	0	0	0	0	113.1	W40 F44 M907 M908 Q913	W40-A911 VanDerWaalsContact CD1-O 3.28Å; F44-A911 HydrophobicContact CB-CB 3.63Å; F44-A911 HydrophobicContact CD2-CB 4.18Å; F44-A911 HydrophobicContact CG-CB 4.37Å; M907-A911 VanDerWaalsContact O-CB 3.26Å; M907-A911 WeakPolarHBondContact O-CB 3.42Å; M907-A911 PolarHBondContact O-N 2.92Å; M908-A911 PolarHBondContact O-N 3.46Å; A911-Q913 PolarHBondContact O-N 2.77Å
912	S	86.3	Confident	81.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	14.4	176.7	65.8	0	0	0	0	114.4	M908 Y909 N910 R914 L915 C916	M908-S912 VanDerWaalsContact O-CB 3.28Å; M908-S912 WeakPolarHBondContact O-CB 3.36Å; M908-S912 PolarHBondContact O-N 2.87Å; M908-S912 PolarHBondContact O-OG 3.06Å; Y909-S912 PolarHBondContact O-OG 2.78Å; Y909-S912 VanDerWaalsContact O-OG 3.06Å; N910-S912 VanDerWaalsContact C-N 3.29Å; N910-S912 PolarHBondContact O-N 2.81Å; S912-R914 PolarHBondContact O-N 2.84Å; S912-R914 VanDerWaalsContact O-N 3.12Å; S912-L915 WeakPolarHBondContact O-CB 3.37Å; S912-L915 PolarHBondContact O-N 2.86Å; S912-C916 WeakPolarHBondContact CB-SG 3.36Å; S912-C916 VanDerWaalsContact OG-CB 3.32Å; S912-C916 WeakPolarHBondContact OG-CB 3.42Å; S912-C916 PolarHBondContact OG-N 2.74Å; S912-C916 VanDerWaalsContact OG-N 3.14Å
913	Q	84.2	Confident	81.2	Confident	132 Å²	132	53.6 Å²	53.6	62%	0.617	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	35.3	-173.7	-58.1	178.3	-6	0	0	112.2	N910 A911 L915	N910-Q913 PolarHBondContact O-N 2.8Å; A911-Q913 PolarHBondContact O-N 2.77Å; Q913-L915 VanDerWaalsContact C-N 3.29Å; Q913-L915 PolarHBondContact O-N 2.76Å
914	R	81.3	Confident	81.2	Confident	161 Å²	161	53.4 Å²	53.4	61%	0.608	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	16.4	179.6	-48.9	179.9	176	169.5	-2	115.4	Y909 S912	Y909-R914 HydrophobicContact CD1-CG 4.32Å; Y909-R914 HydrophobicContact CD2-CB 4.44Å; Y909-R914 HydrophobicContact CE1-CB 4.14Å; Y909-R914 HydrophobicContact CE1-CG 3.65Å; Y909-R914 HydrophobicContact CE2-CB 3.74Å; Y909-R914 HydrophobicContact CE2-CG 4.19Å; Y909-R914 VanDerWaalsContact O-CA 3.29Å; Y909-R914 WeakPolarHBondContact O-CA 3.4Å; Y909-R914 PolarHBondContact O-N 2.88Å; S912-R914 PolarHBondContact O-N 2.84Å; S912-R914 VanDerWaalsContact O-N 3.12Å
915	L	81.4	Confident	81.2	Confident	67 Å²	67	53.5 Å²	53.5	35%	0.351	25%	0.251	S	S	.	.			trans	-84.7	-34.9	179.4	-73.2	160.5	0	0	0	112.9	W40 S912 Q913 R917 S920	W40-L915 HydrophobicContact CH2-CB 4.01Å; W40-L915 HydrophobicContact CH2-CD1 3.41Å; W40-L915 VanDerWaalsContact CH2-CD1 3.41Å; W40-L915 HydrophobicContact CH2-CG 4.33Å; W40-L915 HydrophobicContact CZ2-CB 4.43Å; W40-L915 HydrophobicContact CZ2-CD1 3.23Å; W40-L915 HydrophobicContact CZ2-CG 4.41Å; S912-L915 WeakPolarHBondContact O-CB 3.37Å; S912-L915 PolarHBondContact O-N 2.86Å; Q913-L915 VanDerWaalsContact C-N 3.29Å; Q913-L915 PolarHBondContact O-N 2.76Å; L915-R917 VanDerWaalsContact C-N 3.25Å; L915-R917 PolarHBondContact O-N 3.32Å; L915-S920 VanDerWaalsContact O-CB 3.26Å; L915-S920 WeakPolarHBondContact O-CB 3.48Å; L915-S920 PolarHBondContact O-OG 3.03Å
916	C	80.7	Confident	81.4	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-81.2	75.7	172.1	-60	0	0	0	0	109.3	M908 S912 C924 Y935	M908-C916 HydrophobicContact CE-CB 4.3Å; S912-C916 WeakPolarHBondContact CB-SG 3.36Å; S912-C916 VanDerWaalsContact OG-CB 3.32Å; S912-C916 WeakPolarHBondContact OG-CB 3.42Å; S912-C916 PolarHBondContact OG-N 2.74Å; S912-C916 VanDerWaalsContact OG-N 3.14Å; C916-C924 WeakPolarHBondContact CA-SG 3.44Å; C916-C924 HydrophobicContact CB-CB 3.6Å; C916-C924 WeakPolarHBondContact CB-SG 3.4Å; C916-C924 WeakPolarHBondContact SG-CB 3.36Å; C916-C924 CovalentContact SG-SG 2.03Å; C916-C924 PolarHBondContact SG-SG 3.25Å; C916-Y935 PolarHBondContact O-OH 2.71Å
917	R	73.8	Confident	81.6	Confident	130 Å²	130	50.1 Å²	50.1	49%	0.491	24%	0.236	S	C	.	.			trans	-124	153	-179.3	69.8	174.9	180	172.4	0.5	111.3	Y909 L915 R919 S920	Y909-R917 HydrophobicContact CD2-CB 3.89Å; Y909-R917 HydrophobicContact CE2-CB 3.61Å; L915-R917 VanDerWaalsContact C-N 3.25Å; L915-R917 PolarHBondContact O-N 3.32Å; R917-R919 PolarHBondContact O-N 2.57Å; R917-S920 VanDerWaalsContact O-CB 3.29Å; R917-S920 WeakPolarHBondContact O-CB 3.46Å; R917-S920 PolarHBondContact O-N 3.47Å; R917-S920 VanDerWaalsContact O-N 3.14Å
918	P	64.3	Low	81.4	Confident	50 Å²	50	50 Å²	50	33%	0.325	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	133	166.6	-27	35.7	0	0	0	110.5	S920 I938	P918-S920 VanDerWaalsContact C-N 3.32Å; P918-S920 PolarHBondContact O-N 2.89Å; P918-I938 HydrophobicContact CB-CB 4.02Å; P918-I938 HydrophobicContact CB-CD1 4.04Å; P918-I938 HydrophobicContact CB-CG1 4.14Å; P918-I938 HydrophobicContact CG-CD1 3.92Å; P918-I938 HydrophobicContact CG-CG1 4.11Å
919	R	64.7	Low	81	Confident	182 Å²	182	50.5 Å²	50.5	69%	0.687	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.8	23	179.8	-45.9	-179.8	177.9	159.6	-0.5	115.7	R917 I938 A940	R917-R919 PolarHBondContact O-N 2.57Å; R919-I938 PolarHBondContact N-O 3.05Å; R919-I938 VanDerWaalsContact N-O 3.17Å; R919-A940 HydrophobicContact CB-CB 4.49Å; R919-A940 HydrophobicContact CG-CB 4.45Å
920	S	68.3	Low	80.6	Confident	28 Å²	28	47.8 Å²	47.8	20%	0.196	23%	0.227	C	C	.	.			trans	-75.8	153.1	167.9	-167.6	0	0	0	0	111.6	L915 R917 P918 V922	L915-S920 VanDerWaalsContact O-CB 3.26Å; L915-S920 WeakPolarHBondContact O-CB 3.48Å; L915-S920 PolarHBondContact O-OG 3.03Å; R917-S920 VanDerWaalsContact O-CB 3.29Å; R917-S920 WeakPolarHBondContact O-CB 3.46Å; R917-S920 PolarHBondContact O-N 3.47Å; R917-S920 VanDerWaalsContact O-N 3.14Å; P918-S920 VanDerWaalsContact C-N 3.32Å; P918-S920 PolarHBondContact O-N 2.89Å; S920-V922 WeakPolarHBondContact CB-O 3.49Å; S920-V922 PolarHBondContact O-N 2.95Å; S920-V922 PolarHBondContact OG-N 3.49Å
921	A	67.1	Low	80.2	Confident	67 Å²	67	44.5 Å²	44.5	55%	0.554	21%	0.212	S	C	*	.	S	Bend	trans	-68.6	-22.2	167.6	0	0	0	0	0	112
922	V	77.2	Confident	80	Confident	27 Å²	27	45.1 Å²	45.1	16%	0.164	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.3	175.9	-177.9	0	0	0	0	108.9	S920 V1075	S920-V922 WeakPolarHBondContact CB-O 3.49Å; S920-V922 PolarHBondContact O-N 2.95Å; S920-V922 PolarHBondContact OG-N 3.49Å; V922-V1075 HydrophobicContact CG1-CG1 3.39Å
923	R	82.1	Confident	80	Confident	47 Å²	47	45.2 Å²	45.2	18%	0.177	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133	173.4	-69.1	-179.7	-179.3	179.3	4.4	110.1	Y925 S937 E967 V1075 Y1076	R923-Y925 HydrophobicContact CB-CE2 4.11Å; R923-S937 WeakPolarHBondContact CA-OG 3.29Å; R923-E967 IonicContact NH1-OE1 3.38Å; R923-E967 PolarHBondContact NH1-OE1 3.31Å; R923-V1075 WeakPolarHBondContact O-CA 3.39Å; R923-Y1076 HydrophobicContact CB-CD1 4.2Å; R923-Y1076 HydrophobicContact CB-CD2 4.34Å; R923-Y1076 HydrophobicContact CB-CE1 3.87Å; R923-Y1076 HydrophobicContact CB-CE2 3.99Å; R923-Y1076 HydrophobicContact CB-CG 4.44Å; R923-Y1076 VanDerWaalsContact CD-CE2 3.5Å; R923-Y1076 WeakPolarHBondContact CD-OH 3.26Å; R923-Y1076 HydrophobicContact CG-CE2 4.21Å; R923-Y1076 PolarHBondContact N-O 3.24Å; R923-Y1076 PolarHBondContact NH1-OH 2.91Å; R923-Y1076 PolarHBondContact O-N 3Å
924	C	89	Confident	80.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.3	-179.2	-55.9	0	0	0	0	110.4	C916 Y935 S937 L1074	C916-C924 WeakPolarHBondContact CA-SG 3.44Å; C916-C924 HydrophobicContact CB-CB 3.6Å; C916-C924 WeakPolarHBondContact CB-SG 3.4Å; C916-C924 WeakPolarHBondContact SG-CB 3.36Å; C916-C924 CovalentContact SG-SG 2.03Å; C916-C924 PolarHBondContact SG-SG 3.25Å; C924-Y935 HydrophobicContact CB-CE1 4.27Å; C924-S937 PolarHBondContact N-OG 2.95Å; C924-S937 PolarHBondContact O-N 2.71Å; C924-S937 PolarHBondContact O-OG 2.84Å; C924-L1074 WeakPolarHBondContact CA-O 3.46Å
925	Y	89.9	Confident	80.7	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.3	175	-66	-91.2	0	0	0	109.9	R923 V933 Y935 A936 F953 L956 L1074 Y1076	R923-Y925 HydrophobicContact CB-CE2 4.11Å; Y925-V933 HydrophobicContact CD1-CG1 4.18Å; Y925-V933 HydrophobicContact CD1-CG2 4.47Å; Y925-Y935 CarbonylContact C-O 3.53Å; Y925-Y935 VanDerWaalsContact CA-O 3.28Å; Y925-Y935 WeakPolarHBondContact CA-O 3.42Å; Y925-A936 HydrophobicContact CD1-CB 3.7Å; Y925-A936 HydrophobicContact CE1-CB 3.59Å; Y925-F953 HydrophobicContact CD1-CD2 4.15Å; Y925-F953 HydrophobicContact CD1-CE2 4Å; Y925-F953 AromaticContact CD2-CE2 3.82Å; Y925-F953 HydrophobicContact CD2-CE2 3.82Å; Y925-F953 HydrophobicContact CE1-CE2 4.23Å; Y925-F953 HydrophobicContact CE2-CE2 4.08Å; Y925-F953 HydrophobicContact CG-CD2 4.23Å; Y925-F953 AromaticContact CG-CE2 3.79Å; Y925-F953 HydrophobicContact CG-CE2 3.79Å; Y925-L956 HydrophobicContact CE1-CD1 4.07Å; Y925-L1074 PolarHBondContact N-O 3.31Å; Y925-L1074 PolarHBondContact O-N 2.87Å; Y925-Y1076 HydrophobicContact CD2-CE1 4.04Å; Y925-Y1076 AromaticContact CE2-CE1 3.61Å; Y925-Y1076 HydrophobicContact CE2-CE1 3.61Å
926	L	91.9	Very high	80.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	123.2	160.9	-59.3	176.3	0	0	0	107.9	F44 F904 M908 V934 Y935 I1066 M1071 V1072 L1073	F44-L926 HydrophobicContact CE1-CD1 3.48Å; F44-L926 VanDerWaalsContact CE1-CD1 3.48Å; F44-L926 HydrophobicContact CE1-CD2 4.41Å; F44-L926 HydrophobicContact CZ-CD1 3.72Å; F904-L926 HydrophobicContact CE1-CD1 3.86Å; F904-L926 HydrophobicContact CZ-CD1 3.78Å; M908-L926 HydrophobicContact SD-CD1 4.43Å; M908-L926 HydrophobicContact SD-CD2 4.46Å; L926-V934 HydrophobicContact CB-CB 4.28Å; L926-V934 PolarHBondContact O-N 3.19Å; L926-Y935 HydrophobicContact CD1-CD1 4.36Å; L926-Y935 HydrophobicContact CD1-CG 4.25Å; L926-Y935 HydrophobicContact CG-CD1 4.05Å; L926-Y935 HydrophobicContact CG-CG 4.29Å; L926-Y935 PolarHBondContact N-O 3.39Å; L926-Y935 PolarHBondContact O-N 3.13Å; L926-I1066 HydrophobicContact CD2-CD1 3.47Å; L926-I1066 VanDerWaalsContact CD2-CD1 3.47Å; L926-M1071 HydrophobicContact CB-SD 4.46Å; L926-M1071 HydrophobicContact CD1-SD 4.16Å; L926-V1072 WeakPolarHBondContact CA-O 3.33Å; L926-L1073 HydrophobicContact CD2-CB 3.98Å; L926-L1073 HydrophobicContact CD2-CD1 3.69Å; L926-L1073 HydrophobicContact CD2-CG 4.42Å
927	L	88.9	Confident	81	Confident	5 Å²	5	28.4 Å²	28.4	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.8	177.6	-54	-176.7	0	0	0	109.1	Y932 V933 F953 M974 M1071 V1072 L1074	L927-Y932 CarbonylContact C-O 3.5Å; L927-Y932 VanDerWaalsContact CA-O 3.31Å; L927-Y932 WeakPolarHBondContact CA-O 3.41Å; L927-V933 HydrophobicContact CD2-CB 4.48Å; L927-V933 HydrophobicContact CD2-CG2 3.89Å; L927-F953 HydrophobicContact CD1-CB 4.05Å; L927-F953 HydrophobicContact CD1-CD1 4.06Å; L927-F953 HydrophobicContact CD1-CD2 4.4Å; L927-F953 HydrophobicContact CD1-CG 3.9Å; L927-F953 HydrophobicContact CD2-CB 3.72Å; L927-F953 HydrophobicContact CD2-CD2 3.87Å; L927-F953 HydrophobicContact CD2-CG 3.9Å; L927-M974 HydrophobicContact CD1-CE 3.78Å; L927-M974 HydrophobicContact CD1-SD 4.29Å; L927-M1071 CarbonylContact O-C 3.56Å; L927-M1071 VanDerWaalsContact O-CA 3.29Å; L927-M1071 WeakPolarHBondContact O-CA 3.29Å; L927-V1072 PolarHBondContact N-O 3Å; L927-V1072 PolarHBondContact O-N 3.3Å; L927-L1074 HydrophobicContact CD1-CD2 4.48Å
928	D	86.7	Confident	80.7	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.125	C	C	.	.			trans	-71	176.8	167.9	81.7	-4.2	0	0	0	111.1	R634 R835 H930 G931 Y932 V934	R634-D928 IonicContact CZ-OD2 3.83Å; R634-D928 IonicContact NE-OD2 3.38Å; R634-D928 PolarHBondContact NE-OD2 3.44Å; R634-D928 IonicContact NH2-OD2 3.74Å; R634-D928 PolarHBondContact NH2-OD2 3.17Å; R835-D928 IonicContact NH2-OD2 2.67Å; D928-H930 PolarHBondContact O-N 2.96Å; D928-H930 WeakPolarHBondContact OD1-CA 3.4Å; D928-H930 PolarHBondContact OD1-N 3.38Å; D928-G931 PolarHBondContact O-N 3.32Å; D928-G931 PolarHBondContact OD1-N 3.5Å; D928-Y932 PolarHBondContact N-O 2.68Å; D928-Y932 PolarHBondContact OD1-N 2.97Å; D928-V934 HydrophobicContact CB-CG2 3.9Å
929	E	79.9	Confident	80.5	Confident	12 Å²	12	22.3 Å²	22.3	6%	0.056	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.6	-177.6	73.6	-77.1	-172.6	0	0	114.3	Y636 R835 F839 L1025 N1070	Y636-E929 PolarHBondContact OH-OE1 3.29Å; R835-E929 IonicContact CZ-OE1 2.69Å; R835-E929 IonicContact NE-OE1 3.93Å; R835-E929 PolarHBondContact NE-OE1 3.45Å; R835-E929 VanDerWaalsContact NH2-CD 3.26Å; R835-E929 IonicContact NH2-OE1 3.68Å; R835-E929 PolarHBondContact NH2-OE1 3.46Å; R835-E929 IonicContact NH2-OE2 2.88Å; R835-E929 PolarHBondContact NH2-OE2 3.44Å; F839-E929 HydrophobicContact CZ-CB 4.44Å; F839-E929 HydrophobicContact CZ-CG 4.26Å; E929-L1025 HydrophobicContact CB-CB 4.28Å; E929-N1070 HydrophobicContact CB-CB 4.5Å; E929-N1070 PolarHBondContact N-O 3.03Å; E929-N1070 PolarHBondContact OE2-ND2 3.05Å
930	H	78.2	Confident	79.7	Confident	7 Å²	7	17.9 Å²	17.9	3%	0.032	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	3.7	177.7	-64.4	-56.1	0	0	0	113	R634 V635 Y636 D928 Y932 F952 Y1023	R634-H930 VanDerWaalsContact CB-CD2 3.47Å; R634-H930 WeakPolarHBondContact CB-CD2 3.48Å; R634-H930 VanDerWaalsContact CG-CD2 3.47Å; R634-H930 WeakPolarHBondContact CG-CD2 3.34Å; V635-H930 PolarHBondContact O-CE1 3.05Å; V635-H930 PolarHBondContact O-NE2 3.37Å; Y636-H930 AromaticContact CE2-NE2 3.9Å; Y636-H930 AromaticContact CZ-NE2 3.66Å; D928-H930 PolarHBondContact O-N 2.96Å; D928-H930 WeakPolarHBondContact OD1-CA 3.4Å; D928-H930 PolarHBondContact OD1-N 3.38Å; H930-Y932 HydrophobicContact CB-CD2 3.92Å; H930-Y932 HydrophobicContact CB-CE2 3.95Å; H930-F952 WeakPolarHBondContact O-CE2 3.48Å; H930-Y1023 PolarHBondContact ND1-O 3.2Å
931	G	79.4	Confident	78.8	Confident	8 Å²	8	19.3 Å²	19.3	8%	0.082	14%	0.137	C	C	.	.	S	Bend	trans	86.5	15.3	176.5	0	0	0	0	0	115.1	D928 F953	D928-G931 PolarHBondContact O-N 3.32Å; D928-G931 PolarHBondContact OD1-N 3.5Å; G931-F953 WeakPolarHBondContact O-CB 3.28Å; G931-F953 PolarHBondContact O-N 3.22Å
932	Y	84	Confident	78.2	Confident	20 Å²	20	16.5 Å²	16.5	8%	0.078	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-82	142.1	171	-66.1	-87.4	0	0	0	111	R633 L927 D928 H930 V934 G950 F952 F1101	R633-Y932 WeakPolarHBondContact CA-OH 3.48Å; R633-Y932 HydrophobicContact CB-CE1 4.27Å; R633-Y932 HydrophobicContact CB-CE2 3.79Å; R633-Y932 VanDerWaalsContact CB-OH 3.32Å; R633-Y932 WeakPolarHBondContact CB-OH 3.38Å; R633-Y932 HydrophobicContact CG-CE1 4.13Å; R633-Y932 WeakPolarHBondContact CG-OH 3.31Å; R633-Y932 WeakPolarHBondContact O-CE2 3.3Å; R633-Y932 PolarHBondContact O-OH 3.39Å; L927-Y932 CarbonylContact C-O 3.5Å; L927-Y932 VanDerWaalsContact CA-O 3.31Å; L927-Y932 WeakPolarHBondContact CA-O 3.41Å; D928-Y932 PolarHBondContact N-O 2.68Å; D928-Y932 PolarHBondContact OD1-N 2.97Å; H930-Y932 HydrophobicContact CB-CD2 3.92Å; H930-Y932 HydrophobicContact CB-CE2 3.95Å; Y932-V934 PolarHBondContact O-N 3.39Å; Y932-G950 WeakPolarHBondContact CD1-O 3.27Å; Y932-F952 HydrophobicContact CD1-CB 4.28Å; Y932-F952 HydrophobicContact CE1-CB 4.07Å; Y932-F1101 WeakPolarHBondContact OH-CE2 3.47Å
933	V	87.8	Confident	77.1	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.012	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.6	-177.2	-177.8	0	0	0	0	110.5	Y925 L927 Y935 A936 Y948 L949 G950 E951 F953 L956	Y925-V933 HydrophobicContact CD1-CG1 4.18Å; Y925-V933 HydrophobicContact CD1-CG2 4.47Å; L927-V933 HydrophobicContact CD2-CB 4.48Å; L927-V933 HydrophobicContact CD2-CG2 3.89Å; V933-Y935 WeakPolarHBondContact CG1-O 3.29Å; V933-A936 HydrophobicContact CG1-CB 3.93Å; V933-Y948 WeakPolarHBondContact CB-O 3.25Å; V933-L949 HydrophobicContact CG1-CD2 4.09Å; V933-G950 PolarHBondContact O-N 3.24Å; V933-E951 PolarHBondContact N-O 2.84Å; V933-F953 HydrophobicContact CG2-CB 4.26Å; V933-F953 HydrophobicContact CG2-CD2 4.32Å; V933-L956 HydrophobicContact CG2-CD1 4.01Å; V933-L956 HydrophobicContact CG2-CD2 4.15Å
934	V	89.3	Confident	76.2	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-31.8	172	176.3	0	0	0	0	110.6	V848 Y901 F904 L926 D928 Y932 M1071	V848-V934 HydrophobicContact CG2-CB 4.21Å; V848-V934 HydrophobicContact CG2-CG1 3.64Å; V848-V934 VanDerWaalsContact CG2-O 3.31Å; V848-V934 WeakPolarHBondContact CG2-O 3.49Å; Y901-V934 WeakPolarHBondContact CE2-O 3.46Å; F904-V934 HydrophobicContact CE1-CG1 4.2Å; F904-V934 HydrophobicContact CZ-CG1 4.13Å; L926-V934 HydrophobicContact CB-CB 4.28Å; L926-V934 PolarHBondContact O-N 3.19Å; D928-V934 HydrophobicContact CB-CG2 3.9Å; Y932-V934 PolarHBondContact O-N 3.39Å; V934-M1071 HydrophobicContact CG1-SD 3.94Å
935	Y	90.3	Very high	74.8	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	143.6	176.3	168.6	-97	0	0	0	110.1	Y901 E905 M908 C916 C924 Y925 L926 V933	Y901-Y935 WeakPolarHBondContact OH-CD2 3.39Å; E905-Y935 HydrophobicContact CB-CE2 4.14Å; E905-Y935 HydrophobicContact CG-CE2 3.79Å; M908-Y935 HydrophobicContact CG-CD1 4.06Å; M908-Y935 HydrophobicContact CG-CE1 3.68Å; C916-Y935 PolarHBondContact O-OH 2.71Å; C924-Y935 HydrophobicContact CB-CE1 4.27Å; Y925-Y935 CarbonylContact C-O 3.53Å; Y925-Y935 VanDerWaalsContact CA-O 3.28Å; Y925-Y935 WeakPolarHBondContact CA-O 3.42Å; L926-Y935 HydrophobicContact CD1-CD1 4.36Å; L926-Y935 HydrophobicContact CD1-CG 4.25Å; L926-Y935 HydrophobicContact CG-CD1 4.05Å; L926-Y935 HydrophobicContact CG-CG 4.29Å; L926-Y935 PolarHBondContact N-O 3.39Å; L926-Y935 PolarHBondContact O-N 3.13Å; V933-Y935 WeakPolarHBondContact CG1-O 3.29Å
936	A	86.3	Confident	73.8	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.4	173.7	0	0	0	0	0	110.9	Y925 V933	Y925-A936 HydrophobicContact CD1-CB 3.7Å; Y925-A936 HydrophobicContact CE1-CB 3.59Å; V933-A936 HydrophobicContact CG1-CB 3.93Å
937	S	81.3	Confident	72.9	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.021	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-72.7	128.7	167	60.8	0	0	0	0	110.6	R923 C924	R923-S937 WeakPolarHBondContact CA-OG 3.29Å; C924-S937 PolarHBondContact N-OG 2.95Å; C924-S937 PolarHBondContact O-N 2.71Å; C924-S937 PolarHBondContact O-OG 2.84Å
938	I	68.5	Low	72.3	Confident	34 Å²	34	35.5 Å²	35.5	17%	0.174	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-62.9	127.1	-175.3	-46.7	-177.8	0	0	0	111.8	P918 R919 S942	P918-I938 HydrophobicContact CB-CB 4.02Å; P918-I938 HydrophobicContact CB-CD1 4.04Å; P918-I938 HydrophobicContact CB-CG1 4.14Å; P918-I938 HydrophobicContact CG-CD1 3.92Å; P918-I938 HydrophobicContact CG-CG1 4.11Å; R919-I938 PolarHBondContact N-O 3.05Å; R919-I938 VanDerWaalsContact N-O 3.17Å; I938-S942 VanDerWaalsContact CG2-O 3.31Å; I938-S942 WeakPolarHBondContact CG2-O 3.48Å; I938-S942 WeakPolarHBondContact CG2-OG 3.21Å
939	P	59.1	Low	72	Confident	18 Å²	18	35.8 Å²	35.8	12%	0.117	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-64.6	152	171.6	20.4	-23.6	0	0	0	112	G941 S942 Y948	P939-G941 PolarHBondContact O-N 3.43Å; P939-S942 WeakPolarHBondContact CD-OG 3.37Å; P939-S942 WeakPolarHBondContact CG-OG 3.24Å; P939-S942 PolarHBondContact O-OG 3.49Å; P939-Y948 HydrophobicContact CG-CE2 3.97Å; P939-Y948 WeakPolarHBondContact CG-OH 3.47Å
940	A	48.4	Very low	71.9	Confident	88 Å²	88	35.9 Å²	35.9	73%	0.727	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	101.9	178.7	0	0	0	0	0	110.6	R919	R919-A940 HydrophobicContact CB-CB 4.49Å; R919-A940 HydrophobicContact CG-CB 4.45Å
941	G	50.3	Low	72	Confident	59 Å²	59	40.4 Å²	40.4	61%	0.608	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	135.3	-20.7	175.4	0	0	0	0	0	115.5	P939	P939-G941 PolarHBondContact O-N 3.43Å
942	S	53.5	Low	71.9	Confident	8 Å²	8	41 Å²	41	6%	0.056	23%	0.229	C	C	.	.			trans	-92.8	131.5	-178.2	62.8	0	0	0	0	111.9	I938 P939 E959	I938-S942 VanDerWaalsContact CG2-O 3.31Å; I938-S942 WeakPolarHBondContact CG2-O 3.48Å; I938-S942 WeakPolarHBondContact CG2-OG 3.21Å; P939-S942 WeakPolarHBondContact CD-OG 3.37Å; P939-S942 WeakPolarHBondContact CG-OG 3.24Å; P939-S942 PolarHBondContact O-OG 3.49Å; S942-E959 VanDerWaalsContact CB-OE1 3.28Å; S942-E959 WeakPolarHBondContact CB-OE1 3.22Å
943	D	55.3	Low	71.8	Confident	153 Å²	153	40.1 Å²	40.1	82%	0.818	23%	0.225	S	C	*	.	S	Bend	trans	-84.1	-5	176.2	-85.8	-18.7	0	0	0	113.8
944	E	61.8	Low	71	Confident	131 Å²	131	40.1 Å²	40.1	61%	0.612	23%	0.226	S	C	*	.			trans	-128.6	95.7	-173.7	-63.8	-172.5	168	0	0	113.1	F946	E944-F946 PolarHBondContact O-N 3.29Å
945	S	60.7	Low	70.1	Confident	10 Å²	10	42 Å²	42	7%	0.07	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.7	-34.1	172.3	61.5	0	0	0	0	112.9	R947 Y948	S945-R947 PolarHBondContact O-N 3.01Å; S945-Y948 PolarHBondContact O-N 3.29Å
946	F	67.4	Low	69.3	Low	37 Å²	37	42.2 Å²	42.2	16%	0.162	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-67.5	-19	-173	-55.4	-60	0	0	0	113.5	L872 Y901 E944 Y948 L949	L872-F946 HydrophobicContact CD1-CB 4.23Å; L872-F946 HydrophobicContact CD1-CD1 3.34Å; L872-F946 HydrophobicContact CD1-CE1 3.97Å; L872-F946 HydrophobicContact CD1-CG 4.06Å; L872-F946 HydrophobicContact CG-CD1 3.74Å; L872-F946 HydrophobicContact CG-CE1 3.95Å; L872-F946 HydrophobicContact CG-CG 4.42Å; Y901-F946 HydrophobicContact CD1-CD1 4.49Å; Y901-F946 AromaticContact CD1-CE1 3.73Å; Y901-F946 HydrophobicContact CD1-CE1 3.73Å; Y901-F946 HydrophobicContact CE1-CD1 4.46Å; Y901-F946 AromaticContact CE1-CE1 3.97Å; Y901-F946 HydrophobicContact CE1-CE1 3.97Å; Y901-F946 HydrophobicContact CG-CE1 4.5Å; E944-F946 PolarHBondContact O-N 3.29Å; F946-Y948 PolarHBondContact O-N 3.07Å; F946-L949 HydrophobicContact CD1-CD1 3.8Å; F946-L949 PolarHBondContact O-N 2.78Å
947	R	72.8	Confident	68.3	Low	144 Å²	144	50.1 Å²	50.1	54%	0.543	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-62.1	-28.6	-179.1	-173.4	175.9	178.5	-177.1	2.3	113.4	S945	S945-R947 PolarHBondContact O-N 3.01Å
948	Y	76.6	Confident	67.5	Low	5 Å²	5	50.5 Å²	50.5	2%	0.02	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-89.1	-16.6	-178.9	-54.6	-66.8	0	0	0	113.2	V933 P939 S945 F946 E951 L956	V933-Y948 WeakPolarHBondContact CB-O 3.25Å; P939-Y948 HydrophobicContact CG-CE2 3.97Å; P939-Y948 WeakPolarHBondContact CG-OH 3.47Å; S945-Y948 PolarHBondContact O-N 3.29Å; F946-Y948 PolarHBondContact O-N 3.07Å; Y948-E951 WeakPolarHBondContact O-CB 3.4Å; Y948-E951 PolarHBondContact O-N 2.94Å; Y948-L956 HydrophobicContact CD1-CD2 4.12Å
949	L	81.6	Confident	67	Low	8 Å²	8	52.1 Å²	52.1	4%	0.042	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	139.1	-172.8	-58.3	179.3	0	0	0	110.9	V848 T850 L872 Y901 V933 F946 E951	V848-L949 HydrophobicContact CG1-CD1 4.43Å; T850-L949 HydrophobicContact CG2-CB 3.98Å; T850-L949 WeakPolarHBondContact CG2-O 3.31Å; L872-L949 HydrophobicContact CD1-CD1 3.63Å; Y901-L949 HydrophobicContact CD2-CD1 4.2Å; Y901-L949 HydrophobicContact CE1-CD1 4.12Å; Y901-L949 HydrophobicContact CE2-CD1 3.54Å; Y901-L949 HydrophobicContact CE2-CD2 4.19Å; Y901-L949 VanDerWaalsContact CZ-CD1 3.5Å; Y901-L949 WeakPolarHBondContact OH-CD2 3.32Å; V933-L949 HydrophobicContact CG1-CD2 4.09Å; F946-L949 HydrophobicContact CD1-CD1 3.8Å; F946-L949 PolarHBondContact O-N 2.78Å; L949-E951 PolarHBondContact O-N 2.66Å; L949-E951 VanDerWaalsContact O-N 3.16Å
950	G	77.7	Confident	66.6	Low	15 Å²	15	56.8 Å²	56.8	16%	0.155	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	-1	-177.4	0	0	0	0	0	114.9	R633 Y932 V933	R633-G950 PolarHBondContact NH1-O 2.75Å; Y932-G950 WeakPolarHBondContact CD1-O 3.27Å; V933-G950 PolarHBondContact O-N 3.24Å
951	E	79.7	Confident	66.6	Low	102 Å²	102	56 Å²	56	48%	0.477	30%	0.304	S	S	.	.	S	Bend	trans	-83.5	152.7	168.4	-70.1	-67.9	161.4	0	0	110.5	V933 Y948 L949 L956	V933-E951 PolarHBondContact N-O 2.84Å; Y948-E951 WeakPolarHBondContact O-CB 3.4Å; Y948-E951 PolarHBondContact O-N 2.94Å; L949-E951 PolarHBondContact O-N 2.66Å; L949-E951 VanDerWaalsContact O-N 3.16Å; E951-L956 HydrophobicContact CB-CD2 3.63Å
952	F	77.9	Confident	66.8	Low	21 Å²	21	55 Å²	55	9%	0.092	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-75.6	129.8	176.7	178.8	-108.4	0	0	0	110.3	H930 Y932 G954 A955 L956 M971 Y1023 W1099	H930-F952 WeakPolarHBondContact O-CE2 3.48Å; Y932-F952 HydrophobicContact CD1-CB 4.28Å; Y932-F952 HydrophobicContact CE1-CB 4.07Å; F952-G954 VanDerWaalsContact C-N 3.28Å; F952-G954 PolarHBondContact O-N 3.34Å; F952-A955 HydrophobicContact CB-CB 4.37Å; F952-A955 HydrophobicContact CD1-CB 4.1Å; F952-A955 PolarHBondContact O-N 3.02Å; F952-L956 PolarHBondContact O-N 3.44Å; F952-M971 HydrophobicContact CE1-CE 4.5Å; F952-M971 HydrophobicContact CE1-CG 4.39Å; F952-M971 HydrophobicContact CE2-CE 3.82Å; F952-M971 HydrophobicContact CZ-CE 3.44Å; F952-M971 VanDerWaalsContact CZ-CE 3.44Å; F952-M971 HydrophobicContact CZ-CG 4.16Å; F952-M971 HydrophobicContact CZ-SD 4.03Å; F952-Y1023 HydrophobicContact CE2-CD2 4.39Å; F952-Y1023 HydrophobicContact CE2-CE2 4.45Å; F952-Y1023 HydrophobicContact CZ-CD2 4.23Å; F952-Y1023 AromaticContact CZ-CE2 3.85Å; F952-Y1023 HydrophobicContact CZ-CE2 3.85Å; F952-W1099 HydrophobicContact CE1-CB 3.98Å; F952-W1099 HydrophobicContact CZ-CB 4.37Å
953	F	81	Confident	67.1	Low	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-55.1	-40.5	-173.5	-179.3	-107.2	0	0	0	113.4	Y925 L927 G931 V933 A955 L956 E967 L970 M971 M974 L1074	Y925-F953 HydrophobicContact CD1-CD2 4.15Å; Y925-F953 HydrophobicContact CD1-CE2 4Å; Y925-F953 AromaticContact CD2-CE2 3.82Å; Y925-F953 HydrophobicContact CD2-CE2 3.82Å; Y925-F953 HydrophobicContact CE1-CE2 4.23Å; Y925-F953 HydrophobicContact CE2-CE2 4.08Å; Y925-F953 HydrophobicContact CG-CD2 4.23Å; Y925-F953 AromaticContact CG-CE2 3.79Å; Y925-F953 HydrophobicContact CG-CE2 3.79Å; L927-F953 HydrophobicContact CD1-CB 4.05Å; L927-F953 HydrophobicContact CD1-CD1 4.06Å; L927-F953 HydrophobicContact CD1-CD2 4.4Å; L927-F953 HydrophobicContact CD1-CG 3.9Å; L927-F953 HydrophobicContact CD2-CB 3.72Å; L927-F953 HydrophobicContact CD2-CD2 3.87Å; L927-F953 HydrophobicContact CD2-CG 3.9Å; G931-F953 WeakPolarHBondContact O-CB 3.28Å; G931-F953 PolarHBondContact O-N 3.22Å; V933-F953 HydrophobicContact CG2-CB 4.26Å; V933-F953 HydrophobicContact CG2-CD2 4.32Å; F953-A955 PolarHBondContact O-N 2.83Å; F953-L956 HydrophobicContact CD2-CD1 3.67Å; F953-L956 HydrophobicContact CE2-CD1 4.18Å; F953-L956 HydrophobicContact CG-CD1 4.46Å; F953-L956 WeakPolarHBondContact O-CG 3.22Å; F953-E967 HydrophobicContact CD2-CG 4.41Å; F953-E967 HydrophobicContact CE1-CB 4.11Å; F953-E967 VanDerWaalsContact CE1-O 3.32Å; F953-E967 WeakPolarHBondContact CE1-O 2.94Å; F953-E967 HydrophobicContact CE2-CB 4.08Å; F953-E967 HydrophobicContact CE2-CG 3.67Å; F953-E967 HydrophobicContact CZ-CB 3.79Å; F953-E967 HydrophobicContact CZ-CG 3.72Å; F953-L970 HydrophobicContact CE1-CB 4.08Å; F953-L970 HydrophobicContact CZ-CB 4.45Å; F953-M971 HydrophobicContact CD1-CB 4.07Å; F953-M971 HydrophobicContact CD1-SD 4.08Å; F953-M971 HydrophobicContact CE1-CB 4.43Å; F953-M974 HydrophobicContact CD1-CE 3.81Å; F953-M974 HydrophobicContact CE1-CE 3.91Å; F953-L1074 HydrophobicContact CD1-CD2 4.34Å; F953-L1074 HydrophobicContact CE1-CD2 3.48Å; F953-L1074 VanDerWaalsContact CE1-CD2 3.48Å; F953-L1074 HydrophobicContact CE2-CD2 3.81Å; F953-L1074 HydrophobicContact CZ-CD2 3.17Å
954	G	71.9	Confident	67.7	Low	3 Å²	3	50.5 Å²	50.5	3%	0.031	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-71.7	-10.2	178.4	0	0	0	0	0	115	F952 R968	F952-G954 VanDerWaalsContact C-N 3.28Å; F952-G954 PolarHBondContact O-N 3.34Å; G954-R968 WeakPolarHBondContact O-CG 3.23Å
955	A	69.1	Low	67.9	Low	42 Å²	42	44.3 Å²	44.3	35%	0.347	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-114.4	6.9	-178	0	0	0	0	0	113.3	F952 F953 K957	F952-A955 HydrophobicContact CB-CB 4.37Å; F952-A955 HydrophobicContact CD1-CB 4.1Å; F952-A955 PolarHBondContact O-N 3.02Å; F953-A955 PolarHBondContact O-N 2.83Å; A955-K957 PolarHBondContact O-N 2.84Å
956	L	73.4	Confident	68.5	Low	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.234	C	C	.	.			trans	-58.8	127	-178	-66.5	173.8	0	0	0	111.4	Y925 V933 Y948 E951 F952 F953 V958 E967	Y925-L956 HydrophobicContact CE1-CD1 4.07Å; V933-L956 HydrophobicContact CG2-CD1 4.01Å; V933-L956 HydrophobicContact CG2-CD2 4.15Å; Y948-L956 HydrophobicContact CD1-CD2 4.12Å; E951-L956 HydrophobicContact CB-CD2 3.63Å; F952-L956 PolarHBondContact O-N 3.44Å; F953-L956 HydrophobicContact CD2-CD1 3.67Å; F953-L956 HydrophobicContact CE2-CD1 4.18Å; F953-L956 HydrophobicContact CG-CD1 4.46Å; F953-L956 WeakPolarHBondContact O-CG 3.22Å; L956-V958 PolarHBondContact O-N 3.21Å; L956-E967 HydrophobicContact CD1-CG 4.18Å
957	K	65.7	Low	69	Low	167 Å²	167	43 Å²	43	73%	0.726	23%	0.227	S	C	*	.			trans	-91.9	91.2	169.3	-62.6	-178.6	-173.4	175	0	108	A955	A955-K957 PolarHBondContact O-N 2.84Å
958	V	65.1	Low	69.1	Low	11 Å²	11	37.5 Å²	37.5	7%	0.067	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-70.3	155.2	170	-170.2	0	0	0	0	108.1	L956 V962	L956-V958 PolarHBondContact O-N 3.21Å; V958-V962 CarbonylContact C-O 3.57Å; V958-V962 WeakPolarHBondContact CA-O 3.43Å; V958-V962 HydrophobicContact CB-CB 4.28Å; V958-V962 HydrophobicContact CB-CG1 3.99Å; V958-V962 VanDerWaalsContact CB-O 3.31Å; V958-V962 WeakPolarHBondContact CB-O 3.5Å; V958-V962 HydrophobicContact CG1-CB 3.97Å; V958-V962 HydrophobicContact CG1-CG1 3.73Å
959	E	58	Low	68.9	Low	68 Å²	68	38.7 Å²	38.7	32%	0.318	21%	0.211	S	C	.	.	S	Bend	trans	-62.6	144.6	-173.8	-73.9	176.8	170.1	0	0	112.3	S942 V962	S942-E959 VanDerWaalsContact CB-OE1 3.28Å; S942-E959 WeakPolarHBondContact CB-OE1 3.22Å; E959-V962 WeakPolarHBondContact O-CA 3.19Å; E959-V962 VanDerWaalsContact O-CB 3.32Å; E959-V962 WeakPolarHBondContact O-CB 3.37Å; E959-V962 PolarHBondContact O-N 3.42Å
960	P	50.2	Low	68.8	Low	116 Å²	116	38.3 Å²	38.3	75%	0.753	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	137.3	177.4	-17.8	29.4	0	0	0	111.3
961	P	48.5	Very low	68.8	Low	73 Å²	73	38 Å²	38	47%	0.474	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.5	-1.1	12.7	34.3	-35.2	0	0	0	114.9	N963	P961-N963 PolarHBondContact O-N 3.27Å; P961-N963 VanDerWaalsContact O-N 3.15Å
962	V	55.4	Low	68.4	Low	38 Å²	38	38.3 Å²	38.3	23%	0.23	20%	0.201	C	C	.	.			trans	-80.2	94.3	-171.6	-170.7	0	0	0	0	109.6	V958 E959 G964 D1085	V958-V962 CarbonylContact C-O 3.57Å; V958-V962 WeakPolarHBondContact CA-O 3.43Å; V958-V962 HydrophobicContact CB-CB 4.28Å; V958-V962 HydrophobicContact CB-CG1 3.99Å; V958-V962 VanDerWaalsContact CB-O 3.31Å; V958-V962 WeakPolarHBondContact CB-O 3.5Å; V958-V962 HydrophobicContact CG1-CB 3.97Å; V958-V962 HydrophobicContact CG1-CG1 3.73Å; E959-V962 WeakPolarHBondContact O-CA 3.19Å; E959-V962 VanDerWaalsContact O-CB 3.32Å; E959-V962 WeakPolarHBondContact O-CB 3.37Å; E959-V962 PolarHBondContact O-N 3.42Å; V962-G964 PolarHBondContact O-N 3.14Å; V962-D1085 VanDerWaalsContact CA-OD2 3.32Å; V962-D1085 WeakPolarHBondContact CA-OD2 3.18Å; V962-D1085 HydrophobicContact CB-CB 4.26Å; V962-D1085 HydrophobicContact CG1-CB 4.05Å; V962-D1085 WeakPolarHBondContact CG1-OD2 2.98Å
963	N	59.5	Low	68.2	Low	64 Å²	64	39.2 Å²	39.2	34%	0.342	21%	0.205	S	C	.	.			trans	-80.6	13.6	-174.1	-96.3	35	0	0	0	115.2	P961 R968 D1085 K1089	P961-N963 PolarHBondContact O-N 3.27Å; P961-N963 VanDerWaalsContact O-N 3.15Å; N963-R968 PolarHBondContact O-NH2 3.29Å; N963-D1085 PolarHBondContact N-OD2 3.21Å; N963-K1089 HydrophobicContact CB-CD 4.48Å; N963-K1089 HydrophobicContact CB-CG 4.1Å; N963-K1089 WeakPolarHBondContact ND2-CE 3.46Å
964	G	68.1	Low	67.9	Low	1 Å²	1	39.9 Å²	39.9	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	75.7	29.1	179.8	0	0	0	0	0	113	V962 E967 R968 D1085	V962-G964 PolarHBondContact O-N 3.14Å; G964-E967 VanDerWaalsContact CA-OE2 3.27Å; G964-E967 WeakPolarHBondContact CA-OE2 3.49Å; G964-R968 WeakPolarHBondContact O-CG 3.27Å; G964-R968 PolarHBondContact O-N 3Å; G964-D1085 PolarHBondContact N-OD2 3.03Å
965	A	66.5	Low	67.6	Low	2 Å²	2	40.5 Å²	40.5	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-72.2	-35.6	-175	0	0	0	0	0	112.1	R968 F969 D1085 C1088	A965-R968 WeakPolarHBondContact O-CB 3.4Å; A965-F969 WeakPolarHBondContact O-CB 3.29Å; A965-F969 PolarHBondContact O-N 3.47Å; A965-D1085 PolarHBondContact N-OD2 3.29Å; A965-D1085 VanDerWaalsContact N-OD2 3.17Å; A965-C1088 HydrophobicContact CB-CB 3.86Å
966	I	72.8	Confident	67.3	Low	18 Å²	18	42.6 Å²	42.6	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-45.4	175.8	-63	172.5	0	0	0	110.7	R968 F969 L970 L1059 Y1076	I966-R968 VanDerWaalsContact C-N 3.34Å; I966-R968 PolarHBondContact O-N 2.93Å; I966-F969 WeakPolarHBondContact O-CB 3.25Å; I966-F969 PolarHBondContact O-N 3.03Å; I966-F969 VanDerWaalsContact O-N 3.16Å; I966-L970 HydrophobicContact CG2-CD1 3.93Å; I966-L970 HydrophobicContact CG2-CG 4.24Å; I966-L970 WeakPolarHBondContact O-CG 3.47Å; I966-L970 PolarHBondContact O-N 3.39Å; I966-L1059 HydrophobicContact CG2-CD1 4.1Å; I966-L1059 HydrophobicContact CG2-CD2 4.1Å; I966-Y1076 HydrophobicContact CG2-CD2 4.31Å; I966-Y1076 HydrophobicContact CG2-CE2 3.87Å
967	E	78.3	Confident	66.9	Low	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-44.1	179.1	-69.7	72.3	-164.4	0	0	111.1	R923 F953 L956 G964 F969 L970 M971 Y1076	R923-E967 IonicContact NH1-OE1 3.38Å; R923-E967 PolarHBondContact NH1-OE1 3.31Å; F953-E967 HydrophobicContact CD2-CG 4.41Å; F953-E967 HydrophobicContact CE1-CB 4.11Å; F953-E967 VanDerWaalsContact CE1-O 3.32Å; F953-E967 WeakPolarHBondContact CE1-O 2.94Å; F953-E967 HydrophobicContact CE2-CB 4.08Å; F953-E967 HydrophobicContact CE2-CG 3.67Å; F953-E967 HydrophobicContact CZ-CB 3.79Å; F953-E967 HydrophobicContact CZ-CG 3.72Å; L956-E967 HydrophobicContact CD1-CG 4.18Å; G964-E967 VanDerWaalsContact CA-OE2 3.27Å; G964-E967 WeakPolarHBondContact CA-OE2 3.49Å; E967-F969 PolarHBondContact O-N 2.78Å; E967-L970 PolarHBondContact O-N 2.87Å; E967-M971 VanDerWaalsContact O-CB 3.32Å; E967-M971 WeakPolarHBondContact O-CB 3.27Å; E967-M971 PolarHBondContact O-N 2.87Å; E967-Y1076 PolarHBondContact OE1-OH 2.91Å
968	R	73.9	Confident	66.6	Low	29 Å²	29	40 Å²	40	11%	0.109	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-46	171.9	-81	-176.2	-148.5	152.7	12.7	113	G954 N963 G964 A965 I966 R972 F1092 V1097	G954-R968 WeakPolarHBondContact O-CG 3.23Å; N963-R968 PolarHBondContact O-NH2 3.29Å; G964-R968 WeakPolarHBondContact O-CG 3.27Å; G964-R968 PolarHBondContact O-N 3Å; A965-R968 WeakPolarHBondContact O-CB 3.4Å; I966-R968 VanDerWaalsContact C-N 3.34Å; I966-R968 PolarHBondContact O-N 2.93Å; R968-R972 PolarHBondContact O-N 3.49Å; R968-F1092 HydrophobicContact CB-CB 4.46Å; R968-F1092 PolarHBondContact NH1-O 3.1Å; R968-V1097 HydrophobicContact CB-CG2 3.43Å; R968-V1097 VanDerWaalsContact CB-CG2 3.43Å; R968-V1097 HydrophobicContact CG-CB 4.37Å; R968-V1097 HydrophobicContact CG-CG2 3.57Å
969	F	73.7	Confident	66.1	Low	30 Å²	30	40.5 Å²	40.5	13%	0.132	21%	0.209	C	C	.	.	H	α-helix	trans	-62.9	-48	177.4	168.9	-103.6	0	0	0	111.9	A965 I966 E967 M971 R972 Q973 A1036 Q1040 L1059 F1092	A965-F969 WeakPolarHBondContact O-CB 3.29Å; A965-F969 PolarHBondContact O-N 3.47Å; I966-F969 WeakPolarHBondContact O-CB 3.25Å; I966-F969 PolarHBondContact O-N 3.03Å; I966-F969 VanDerWaalsContact O-N 3.16Å; E967-F969 PolarHBondContact O-N 2.78Å; F969-M971 PolarHBondContact O-N 3.44Å; F969-R972 WeakPolarHBondContact O-CB 3.5Å; F969-R972 PolarHBondContact O-N 3.38Å; F969-Q973 HydrophobicContact CD2-CG 4.47Å; F969-Q973 HydrophobicContact CE1-CG 4.07Å; F969-Q973 HydrophobicContact CE2-CG 4Å; F969-Q973 HydrophobicContact CZ-CG 3.77Å; F969-Q973 WeakPolarHBondContact O-CG 3.25Å; F969-Q973 PolarHBondContact O-N 3.16Å; F969-A1036 HydrophobicContact CE1-CB 4.25Å; F969-Q1040 HydrophobicContact CZ-CG 4.5Å; F969-L1059 HydrophobicContact CD1-CD2 3.95Å; F969-L1059 HydrophobicContact CE1-CD2 3.94Å; F969-F1092 HydrophobicContact CB-CD2 4.41Å; F969-F1092 HydrophobicContact CB-CE1 4.5Å; F969-F1092 HydrophobicContact CB-CE2 4.15Å; F969-F1092 HydrophobicContact CB-CZ 4.22Å; F969-F1092 HydrophobicContact CD2-CE1 4.15Å; F969-F1092 AromaticContact CD2-CE2 3.92Å; F969-F1092 HydrophobicContact CD2-CE2 3.92Å; F969-F1092 AromaticContact CD2-CZ 3.49Å; F969-F1092 HydrophobicContact CD2-CZ 3.49Å; F969-F1092 VanDerWaalsContact CD2-CZ 3.49Å; F969-F1092 HydrophobicContact CE2-CZ 4.33Å; F969-F1092 HydrophobicContact CG-CE2 4.4Å; F969-F1092 HydrophobicContact CG-CZ 4.29Å
970	L	78.8	Confident	65.7	Low	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65	-39.5	179	-69	178.5	0	0	0	111.7	F953 I966 E967 R972 Q973 M974 L1035 L1059 A1061 L1074 Y1076	F953-L970 HydrophobicContact CE1-CB 4.08Å; F953-L970 HydrophobicContact CZ-CB 4.45Å; I966-L970 HydrophobicContact CG2-CD1 3.93Å; I966-L970 HydrophobicContact CG2-CG 4.24Å; I966-L970 WeakPolarHBondContact O-CG 3.47Å; I966-L970 PolarHBondContact O-N 3.39Å; E967-L970 PolarHBondContact O-N 2.87Å; L970-R972 VanDerWaalsContact C-N 3.35Å; L970-R972 PolarHBondContact O-N 2.94Å; L970-Q973 PolarHBondContact O-N 3.25Å; L970-M974 WeakPolarHBondContact O-CG 3.35Å; L970-M974 PolarHBondContact O-N 3.11Å; L970-L1035 HydrophobicContact CD2-CB 4.2Å; L970-L1035 HydrophobicContact CD2-CD1 4.37Å; L970-L1059 HydrophobicContact CD2-CD2 4.13Å; L970-A1061 HydrophobicContact CD1-CB 4.25Å; L970-A1061 HydrophobicContact CD2-CB 3.4Å; L970-A1061 VanDerWaalsContact CD2-CB 3.4Å; L970-A1061 HydrophobicContact CG-CB 4.49Å; L970-L1074 HydrophobicContact CD1-CD2 4.33Å; L970-Y1076 HydrophobicContact CD1-CD1 3.46Å; L970-Y1076 VanDerWaalsContact CD1-CD1 3.46Å; L970-Y1076 HydrophobicContact CD1-CE1 3.86Å; L970-Y1076 HydrophobicContact CD1-CG 3.81Å
971	M	76.7	Confident	64.9	Low	9 Å²	9	47 Å²	47	4%	0.044	22%	0.216	C	C	.	.	H	α-helix	trans	-58.6	-48.3	173.5	-171	65.7	-161.2	0	0	110.6	F952 F953 E967 F969 Q973 M974 V975 Y1023	F952-M971 HydrophobicContact CE1-CE 4.5Å; F952-M971 HydrophobicContact CE1-CG 4.39Å; F952-M971 HydrophobicContact CE2-CE 3.82Å; F952-M971 HydrophobicContact CZ-CE 3.44Å; F952-M971 VanDerWaalsContact CZ-CE 3.44Å; F952-M971 HydrophobicContact CZ-CG 4.16Å; F952-M971 HydrophobicContact CZ-SD 4.03Å; F953-M971 HydrophobicContact CD1-CB 4.07Å; F953-M971 HydrophobicContact CD1-SD 4.08Å; F953-M971 HydrophobicContact CE1-CB 4.43Å; E967-M971 VanDerWaalsContact O-CB 3.32Å; E967-M971 WeakPolarHBondContact O-CB 3.27Å; E967-M971 PolarHBondContact O-N 2.87Å; F969-M971 PolarHBondContact O-N 3.44Å; M971-Q973 VanDerWaalsContact C-N 3.33Å; M971-Q973 PolarHBondContact O-N 3.45Å; M971-M974 HydrophobicContact CB-CE 4.48Å; M971-M974 PolarHBondContact O-N 2.91Å; M971-M974 HydrophobicContact SD-CE 3.68Å; M971-V975 HydrophobicContact CE-CG2 3.84Å; M971-V975 HydrophobicContact CG-CG2 4.44Å; M971-V975 WeakPolarHBondContact O-CB 3.12Å; M971-V975 WeakPolarHBondContact O-CG2 3.25Å; M971-V975 PolarHBondContact O-N 3.24Å; M971-Y1023 HydrophobicContact CE-CD2 3.88Å; M971-Y1023 HydrophobicContact CE-CE2 3.72Å; M971-Y1023 HydrophobicContact CE-CG 4.48Å
972	R	72	Confident	64.1	Low	109 Å²	109	49.8 Å²	49.8	41%	0.411	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-43.1	175.8	-175.5	175.8	177.6	171.7	0.5	112.4	R968 F969 L970 V975 D976	R968-R972 PolarHBondContact O-N 3.49Å; F969-R972 WeakPolarHBondContact O-CB 3.5Å; F969-R972 PolarHBondContact O-N 3.38Å; L970-R972 VanDerWaalsContact C-N 3.35Å; L970-R972 PolarHBondContact O-N 2.94Å; R972-V975 PolarHBondContact O-N 3.36Å; R972-D976 VanDerWaalsContact O-CG 3.32Å; R972-D976 PolarHBondContact O-N 3.29Å
973	Q	74.2	Confident	63	Low	39 Å²	39	56.1 Å²	56.1	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-38.5	176.5	-71.5	-63	-37.8	0	0	113.2	F969 L970 M971 V975 K977 L1035	F969-Q973 HydrophobicContact CD2-CG 4.47Å; F969-Q973 HydrophobicContact CE1-CG 4.07Å; F969-Q973 HydrophobicContact CE2-CG 4Å; F969-Q973 HydrophobicContact CZ-CG 3.77Å; F969-Q973 WeakPolarHBondContact O-CG 3.25Å; F969-Q973 PolarHBondContact O-N 3.16Å; L970-Q973 PolarHBondContact O-N 3.25Å; M971-Q973 VanDerWaalsContact C-N 3.33Å; M971-Q973 PolarHBondContact O-N 3.45Å; Q973-V975 VanDerWaalsContact C-N 3.34Å; Q973-K977 WeakPolarHBondContact O-CG 3.49Å; Q973-K977 PolarHBondContact O-N 3.14Å; Q973-L1035 HydrophobicContact CB-CB 4.44Å; Q973-L1035 HydrophobicContact CB-CD2 4.27Å
974	M	73.8	Confident	61.4	Low	15 Å²	15	59.3 Å²	59.3	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-46.3	172.6	-71	-173.5	-66.9	0	0	109.7	L927 F953 L970 M971 D976 K977 F978 L1035 V1063 L1074	L927-M974 HydrophobicContact CD1-CE 3.78Å; L927-M974 HydrophobicContact CD1-SD 4.29Å; F953-M974 HydrophobicContact CD1-CE 3.81Å; F953-M974 HydrophobicContact CE1-CE 3.91Å; L970-M974 WeakPolarHBondContact O-CG 3.35Å; L970-M974 PolarHBondContact O-N 3.11Å; M971-M974 HydrophobicContact CB-CE 4.48Å; M971-M974 PolarHBondContact O-N 2.91Å; M971-M974 HydrophobicContact SD-CE 3.68Å; M974-D976 PolarHBondContact O-N 3.02Å; M974-K977 PolarHBondContact O-N 3.37Å; M974-K977 VanDerWaalsContact O-N 3.13Å; M974-F978 HydrophobicContact CB-CD2 4.23Å; M974-F978 HydrophobicContact CB-CE2 4.27Å; M974-F978 HydrophobicContact CG-CE2 4.3Å; M974-F978 WeakPolarHBondContact O-CB 3.44Å; M974-F978 WeakPolarHBondContact O-CD2 3.33Å; M974-F978 WeakPolarHBondContact O-CG 3.24Å; M974-F978 PolarHBondContact O-N 2.01Å; M974-L1035 HydrophobicContact CG-CD1 3.5Å; M974-L1035 VanDerWaalsContact CG-CD1 3.5Å; M974-L1035 HydrophobicContact CG-CD2 3.97Å; M974-L1035 HydrophobicContact CG-CG 4.39Å; M974-L1035 HydrophobicContact SD-CD1 4.17Å; M974-V1063 HydrophobicContact SD-CG2 4.05Å; M974-L1074 HydrophobicContact CE-CD2 4.24Å; M974-L1074 HydrophobicContact SD-CD1 4.5Å
975	V	65.9	Low	59.6	Low	16 Å²	16	64.1 Å²	64.1	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-48.2	-176.7	167.4	0	0	0	0	112.3	M971 R972 Q973 K977 F978 V979 Y1023 W1099	M971-V975 HydrophobicContact CE-CG2 3.84Å; M971-V975 HydrophobicContact CG-CG2 4.44Å; M971-V975 WeakPolarHBondContact O-CB 3.12Å; M971-V975 WeakPolarHBondContact O-CG2 3.25Å; M971-V975 PolarHBondContact O-N 3.24Å; R972-V975 PolarHBondContact O-N 3.36Å; Q973-V975 VanDerWaalsContact C-N 3.34Å; V975-K977 PolarHBondContact O-N 3.34Å; V975-K977 VanDerWaalsContact O-N 3.13Å; V975-F978 PolarHBondContact O-N 2.91Å; V975-V979 HydrophobicContact CG1-CG2 4Å; V975-V979 WeakPolarHBondContact O-CG2 3.35Å; V975-V979 PolarHBondContact O-N 3.06Å; V975-Y1023 HydrophobicContact CB-CE1 3.91Å; V975-Y1023 HydrophobicContact CG1-CD1 4.33Å; V975-Y1023 HydrophobicContact CG1-CE1 3.4Å; V975-Y1023 HydrophobicContact CG2-CD1 4Å; V975-Y1023 HydrophobicContact CG2-CE1 3.28Å; V975-Y1023 HydrophobicContact CG2-CE2 4.2Å; V975-Y1023 WeakPolarHBondContact CG2-OH 3.42Å; V975-W1099 HydrophobicContact CG1-CZ2 4.3Å
976	D	63.7	Low	57.8	Low	85 Å²	85	73.2 Å²	73.2	46%	0.455	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-25.5	179.4	-71.6	-21.2	0	0	0	112.4	R972 M974	R972-D976 VanDerWaalsContact O-CG 3.32Å; R972-D976 PolarHBondContact O-N 3.29Å; M974-D976 PolarHBondContact O-N 3.02Å
977	K	64.2	Low	55.8	Low	99 Å²	99	79.3 Å²	79.3	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-100.3	-20.2	-178.7	-64.6	-172.1	-167.5	-172.5	0	114.5	Q973 M974 V975 L1033 M1034 L1035	Q973-K977 WeakPolarHBondContact O-CG 3.49Å; Q973-K977 PolarHBondContact O-N 3.14Å; M974-K977 PolarHBondContact O-N 3.37Å; M974-K977 VanDerWaalsContact O-N 3.13Å; V975-K977 PolarHBondContact O-N 3.34Å; V975-K977 VanDerWaalsContact O-N 3.13Å; K977-L1033 HydrophobicContact CB-CD2 4.09Å; K977-L1033 HydrophobicContact CD-CD2 3.64Å; K977-L1033 HydrophobicContact CD-CG 4.32Å; K977-M1034 PolarHBondContact NZ-O 3.44Å; K977-L1035 HydrophobicContact CD-CD2 4.41Å
978	F	59.9	Low	53.6	Low	17 Å²	17	87.9 Å²	87.9	8%	0.075	41%	0.414	C	S	.	.	H	α-helix	trans	-114	-16.9	-168.2	-73.7	-115.6	0	0	0	115.1	M974 V975 L1025 N1026 F1029 L1033 L1035 V1063	M974-F978 HydrophobicContact CB-CD2 4.23Å; M974-F978 HydrophobicContact CB-CE2 4.27Å; M974-F978 HydrophobicContact CG-CE2 4.3Å; M974-F978 WeakPolarHBondContact O-CB 3.44Å; M974-F978 WeakPolarHBondContact O-CD2 3.33Å; M974-F978 WeakPolarHBondContact O-CG 3.24Å; M974-F978 PolarHBondContact O-N 2.01Å; V975-F978 PolarHBondContact O-N 2.91Å; F978-L1025 HydrophobicContact CD1-CD1 4Å; F978-L1025 HydrophobicContact CE1-CD1 4.31Å; F978-N1026 VanDerWaalsContact O-CB 3.26Å; F978-N1026 WeakPolarHBondContact O-CB 3.47Å; F978-F1029 HydrophobicContact CD1-CB 4.16Å; F978-F1029 HydrophobicContact CD1-CD1 4.01Å; F978-F1029 HydrophobicContact CD1-CD2 4.04Å; F978-F1029 HydrophobicContact CD1-CE1 4.44Å; F978-F1029 HydrophobicContact CD1-CE2 4.48Å; F978-F1029 AromaticContact CD1-CG 3.78Å; F978-F1029 HydrophobicContact CD1-CG 3.78Å; F978-F1029 HydrophobicContact CE1-CB 4.16Å; F978-F1029 AromaticContact CE1-CD1 3.2Å; F978-F1029 HydrophobicContact CE1-CD1 3.2Å; F978-F1029 AromaticContact CE1-CD2 3.51Å; F978-F1029 HydrophobicContact CE1-CD2 3.51Å; F978-F1029 AromaticContact CE1-CE1 3.27Å; F978-F1029 HydrophobicContact CE1-CE1 3.27Å; F978-F1029 AromaticContact CE1-CE2 3.58Å; F978-F1029 HydrophobicContact CE1-CE2 3.58Å; F978-F1029 AromaticContact CE1-CG 3.31Å; F978-F1029 HydrophobicContact CE1-CG 3.31Å; F978-F1029 AromaticContact CE1-CZ 3.47Å; F978-F1029 HydrophobicContact CE1-CZ 3.47Å; F978-F1029 VanDerWaalsContact CE1-CZ 3.47Å; F978-F1029 HydrophobicContact CE2-CE2 4.2Å; F978-F1029 HydrophobicContact CE2-CZ 4.36Å; F978-F1029 AromaticContact CZ-CD1 3.96Å; F978-F1029 HydrophobicContact CZ-CD1 3.96Å; F978-F1029 AromaticContact CZ-CD2 3.82Å; F978-F1029 HydrophobicContact CZ-CD2 3.82Å; F978-F1029 AromaticContact CZ-CE1 3.56Å; F978-F1029 HydrophobicContact CZ-CE1 3.56Å; F978-F1029 AromaticContact CZ-CE2 3.41Å; F978-F1029 HydrophobicContact CZ-CE2 3.41Å; F978-F1029 VanDerWaalsContact CZ-CE2 3.41Å; F978-F1029 HydrophobicContact CZ-CG 4.06Å; F978-F1029 AromaticContact CZ-CZ 3.26Å; F978-F1029 HydrophobicContact CZ-CZ 3.26Å; F978-L1033 HydrophobicContact CD2-CD2 4.48Å; F978-L1033 HydrophobicContact CE2-CD2 3.77Å; F978-L1033 HydrophobicContact CZ-CD2 4.32Å; F978-L1035 HydrophobicContact CE2-CD2 4.41Å; F978-V1063 HydrophobicContact CE2-CG1 3.89Å; F978-V1063 HydrophobicContact CZ-CG1 3.58Å; F978-V1063 HydrophobicContact CZ-CG2 4.09Å
979	V	53.5	Low	51.7	Low	23 Å²	23	91.9 Å²	91.9	14%	0.139	44%	0.443	C	S	.	.	S	Bend	trans	-83.1	133.7	-177.8	179.7	0	0	0	0	111.6	V975 R981 V1000 Y1023	V975-V979 HydrophobicContact CG1-CG2 4Å; V975-V979 WeakPolarHBondContact O-CG2 3.35Å; V975-V979 PolarHBondContact O-N 3.06Å; V979-R981 PolarHBondContact O-N 3.18Å; V979-V1000 HydrophobicContact CG1-CG1 4.32Å; V979-Y1023 HydrophobicContact CG2-CD1 3.79Å; V979-Y1023 HydrophobicContact CG2-CE1 4.17Å
980	Y	50.4	Low	50.2	Low	112 Å²	112	101.8 Å²	101.8	44%	0.439	48%	0.48	S	S	.	.			trans	-18.6	117.5	-178.9	-89.3	-90.5	0	0	0	115.9	Y1003	Y980-Y1003 HydrophobicContact CD2-CE2 4.19Å
981	R	33.9	Very low	48.4	Very low	209 Å²	209	106.9 Å²	106.9	79%	0.789	51%	0.511	S	S	*	.			trans	-104.7	11.1	174.9	-133.3	-176.1	-168.3	-163.5	3	114.7	V979	V979-R981 PolarHBondContact O-N 3.18Å
982	D	31.7	Very low	46.5	Very low	130 Å²	130	110.1 Å²	110.1	70%	0.695	54%	0.539	S	S	*	.			trans	-108.8	75.3	-173.8	-71	-24.7	0	0	0	112.7
983	F	31	Very low	44.9	Very low	171 Å²	171	112.3 Å²	112.3	75%	0.75	56%	0.558	S	S	*	*			trans	-153.1	64.1	151.6	-110.8	-78.5	0	0	0	108.9
984	V	27.1	Very low	43.2	Very low	131 Å²	131	118.2 Å²	118.2	79%	0.794	59%	0.59	S	S	*	*			trans	-93.5	96.5	162.3	-178.9	0	0	0	0	106.9	E986	V984-E986 PolarHBondContact O-N 3.29Å
985	V	30	Very low	41.3	Very low	103 Å²	103	120.8 Å²	120.8	62%	0.624	61%	0.614	S	S	*	*			trans	-54.7	130.2	159.7	175.4	0	0	0	0	107.3	L987	V985-L987 VanDerWaalsContact C-N 3.3Å; V985-L987 PolarHBondContact O-N 3.33Å
986	E	27.6	Very low	39.7	Very low	193 Å²	193	127.1 Å²	127.1	90%	0.902	64%	0.644	S	S	*	*			trans	-49.3	90.1	173.2	-73.3	-177.3	146.7	0	0	111.1	V984	V984-E986 PolarHBondContact O-N 3.29Å
987	L	30.5	Very low	38.2	Very low	145 Å²	145	132.7 Å²	132.7	76%	0.759	66%	0.664	S	S	*	*			trans	-97.8	119.4	169.3	-83.9	157.5	0	0	0	107.2	V985	V985-L987 VanDerWaalsContact C-N 3.3Å; V985-L987 PolarHBondContact O-N 3.33Å
988	K	33.1	Very low	36.5	Very low	180 Å²	180	138.8 Å²	138.8	78%	0.783	69%	0.685	S	S	*	*			trans	-40.4	153.2	-176.9	-74.6	177.8	175.2	176.6	0	113.9	W990	K988-W990 PolarHBondContact O-N 3.25Å
989	P	34	Very low	35.2	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	10.1	-161.4	-19	32.2	0	0	0	118.1
990	W	42.9	Very low	34.3	Very low	239 Å²	239	145 Å²	145	91%	0.905	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	1	-169.7	-70.7	80.7	0	0	0	114.9	K988	K988-W990 PolarHBondContact O-N 3.25Å
991	V	39.9	Very low	33.7	Very low	106 Å²	106	142.8 Å²	142.8	64%	0.642	73%	0.729	S	S	*	*	S	Bend	trans	-106.5	4.8	179.7	-168.7	0	0	0	0	112.7	L993	V991-L993 VanDerWaalsContact C-N 3.25Å; V991-L993 PolarHBondContact O-N 2.88Å; V991-L993 VanDerWaalsContact O-N 3.11Å
992	A	36	Very low	34	Very low	77 Å²	77	134.2 Å²	134.2	64%	0.636	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-11.4	-171.8	0	0	0	0	0	115.8
993	L	38.6	Very low	34.5	Very low	155 Å²	155	130.7 Å²	130.7	81%	0.812	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-12	-174.5	-120.1	110.4	0	0	0	115.2	V991	V991-L993 VanDerWaalsContact C-N 3.25Å; V991-L993 PolarHBondContact O-N 2.88Å; V991-L993 VanDerWaalsContact O-N 3.11Å
994	L	39.9	Very low	35	Very low	163 Å²	163	124.4 Å²	124.4	85%	0.853	65%	0.654	S	S	*	*	S	Bend	trans	-107.7	-2.3	-178.7	-77.5	163.7	0	0	0	114	M996	L994-M996 PolarHBondContact O-N 3.02Å
995	A	34.1	Very low	35.9	Very low	69 Å²	69	118.5 Å²	118.5	57%	0.57	62%	0.618	S	S	*	*			trans	-91.1	12.9	-173.7	0	0	0	0	0	115	F997	A995-F997 VanDerWaalsContact C-N 3.28Å; A995-F997 PolarHBondContact O-N 3.14Å
996	M	31.5	Very low	36.5	Very low	149 Å²	149	117.8 Å²	117.8	73%	0.734	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	4.3	-174.7	-89.4	-172.2	-89.5	0	0	115.9	L994	L994-M996 PolarHBondContact O-N 3.02Å
997	F	32.2	Very low	37.5	Very low	202 Å²	202	109.2 Å²	109.2	89%	0.886	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	51.1	-178.8	-69	-75.7	0	0	0	114.5	A995	A995-F997 VanDerWaalsContact C-N 3.28Å; A995-F997 PolarHBondContact O-N 3.14Å
998	R	28	Very low	38.4	Very low	227 Å²	227	106 Å²	106	86%	0.857	55%	0.552	S	S	*	*			trans	-125.7	107.2	174.2	-73.5	-173.4	175.8	-177.6	-1.9	112.3
999	S	32.8	Very low	39.1	Very low	101 Å²	101	97.7 Å²	97.7	71%	0.706	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-71.3	133.2	168.7	56.7	0	0	0	0	109.9	S1001	S999-S1001 PolarHBondContact O-N 3.42Å
1000	V	34.6	Very low	39.8	Very low	70 Å²	70	92.8 Å²	92.8	42%	0.424	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-67.2	125	175.9	176.1	0	0	0	0	108.6	V979	V979-V1000 HydrophobicContact CG1-CG1 4.32Å
1001	S	37.3	Very low	39.8	Very low	65 Å²	65	84 Å²	84	46%	0.455	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-82.6	150	178.3	22.4	0	0	0	0	111.3	S999	S999-S1001 PolarHBondContact O-N 3.42Å
1002	P	41.1	Very low	39.8	Very low	30 Å²	30	85.8 Å²	85.8	20%	0.195	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-82.8	157.7	-175.1	32.9	-40.6	0	0	0	117.5	T1004 W1099	P1002-T1004 PolarHBondContact O-N 3.01Å; P1002-T1004 PolarHBondContact O-OG1 3Å; P1002-W1099 HydrophobicContact CB-CH2 2.74Å; P1002-W1099 HydrophobicContact CB-CZ2 3.11Å; P1002-W1099 HydrophobicContact CB-CZ3 3.71Å; P1002-W1099 HydrophobicContact CG-CH2 3.31Å; P1002-W1099 HydrophobicContact CG-CZ2 3.2Å; P1002-W1099 HydrophobicContact CG-CZ3 4.18Å
1003	Y	42.5	Very low	40.1	Very low	56 Å²	56	85.8 Å²	85.8	22%	0.22	46%	0.461	C	S	.	.			trans	-66.3	111.6	166.5	-69.4	-82.3	0	0	0	110.4	Y980 P1005 F1022	Y980-Y1003 HydrophobicContact CD2-CE2 4.19Å; Y1003-P1005 VanDerWaalsContact C-CD 3.45Å; Y1003-P1005 VanDerWaalsContact O-CD 3.3Å; Y1003-P1005 WeakPolarHBondContact O-CD 3.37Å; Y1003-F1022 PolarHBondContact O-N 3.07Å
1004	T	42.3	Very low	40.1	Very low	38 Å²	38	84.2 Å²	84.2	23%	0.233	45%	0.453	C	S	.	.			trans	-116.3	82.7	175.7	-45.2	0	0	0	0	110	P1002 S1021	P1002-T1004 PolarHBondContact O-N 3.01Å; P1002-T1004 PolarHBondContact O-OG1 3Å; T1004-S1021 WeakPolarHBondContact CG2-OG 3.43Å
1005	P	44.2	Very low	40.2	Very low	7 Å²	7	78.4 Å²	78.4	5%	0.045	43%	0.425	C	S	.	.			trans	-77.7	119.6	170.4	31.5	-34.5	0	0	0	110.7	V563 V623 Y1003 F1007 F1022	V563-P1005 HydrophobicContact CB-CB 4.21Å; V563-P1005 HydrophobicContact CG1-CB 3.79Å; V563-P1005 HydrophobicContact CG2-CB 4.31Å; V623-P1005 HydrophobicContact CG1-CG 4.36Å; Y1003-P1005 VanDerWaalsContact C-CD 3.45Å; Y1003-P1005 VanDerWaalsContact O-CD 3.3Å; Y1003-P1005 WeakPolarHBondContact O-CD 3.37Å; P1005-F1007 HydrophobicContact CB-CD2 4.26Å; P1005-F1007 HydrophobicContact CB-CE2 3.71Å; P1005-F1007 HydrophobicContact CB-CZ 4.06Å; P1005-F1007 HydrophobicContact CG-CD2 4.26Å; P1005-F1007 HydrophobicContact CG-CE2 3.55Å; P1005-F1007 HydrophobicContact CG-CZ 4.19Å; P1005-F1007 PolarHBondContact O-N 3.25Å; P1005-F1022 HydrophobicContact CG-CD2 3.32Å; P1005-F1022 HydrophobicContact CG-CE2 3.58Å; P1005-F1022 HydrophobicContact CG-CG 4.43Å
1006	T	42.7	Very low	40.6	Very low	88 Å²	88	76.8 Å²	76.8	54%	0.54	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	107	169.2	48.4	0	0	0	0	109.2	A1019	T1006-A1019 HydrophobicContact CG2-CB 3.89Å
1007	F	48.9	Very low	41.2	Very low	13 Å²	13	71.1 Å²	71.1	6%	0.057	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	128.9	171.2	-68.7	-77.1	0	0	0	109.5	V563 V623 A625 L632 V635 P1005 D1009 K1018 F1022	V563-F1007 HydrophobicContact CG2-CD1 4.28Å; V563-F1007 HydrophobicContact CG2-CE1 4.05Å; V623-F1007 HydrophobicContact CG1-CZ 4.05Å; A625-F1007 HydrophobicContact CB-CE1 4.35Å; A625-F1007 HydrophobicContact CB-CZ 4.33Å; L632-F1007 HydrophobicContact CD1-CB 3.52Å; L632-F1007 HydrophobicContact CD1-CG 4.13Å; L632-F1007 HydrophobicContact CD2-CG 4.43Å; V635-F1007 HydrophobicContact CG1-CE2 3.89Å; V635-F1007 HydrophobicContact CG1-CZ 4.01Å; P1005-F1007 HydrophobicContact CB-CD2 4.26Å; P1005-F1007 HydrophobicContact CB-CE2 3.71Å; P1005-F1007 HydrophobicContact CB-CZ 4.06Å; P1005-F1007 HydrophobicContact CG-CD2 4.26Å; P1005-F1007 HydrophobicContact CG-CE2 3.55Å; P1005-F1007 HydrophobicContact CG-CZ 4.19Å; P1005-F1007 PolarHBondContact O-N 3.25Å; F1007-D1009 PolarHBondContact O-N 3.15Å; F1007-K1018 CarbonylContact O-C 3.54Å; F1007-F1022 AromaticContact CD2-CE2 3.61Å; F1007-F1022 HydrophobicContact CD2-CE2 3.61Å; F1007-F1022 AromaticContact CD2-CZ 3.84Å; F1007-F1022 HydrophobicContact CD2-CZ 3.84Å; F1007-F1022 HydrophobicContact CE2-CD2 4.21Å; F1007-F1022 AromaticContact CE2-CE2 3.35Å; F1007-F1022 HydrophobicContact CE2-CE2 3.35Å; F1007-F1022 AromaticContact CE2-CZ 3.67Å; F1007-F1022 HydrophobicContact CE2-CZ 3.67Å
1008	R	49.8	Very low	41.9	Very low	78 Å²	78	63 Å²	63	29%	0.294	35%	0.346	S	S	.	.			trans	-79	106.4	170.5	-73	-165.4	167.6	148.5	5.1	109.6	E560 D1017	E560-R1008 IonicContact OE1-CZ 2.76Å; E560-R1008 IonicContact OE1-NH1 3.86Å; E560-R1008 PolarHBondContact OE1-NH1 2.98Å; E560-R1008 WeakPolarHBondContact OE2-CD 3.35Å; E560-R1008 IonicContact OE2-CZ 3.73Å; E560-R1008 IonicContact OE2-NE 2.94Å; E560-R1008 IonicContact OE2-NH1 3.57Å; E560-R1008 PolarHBondContact OE2-NH1 3.06Å; R1008-D1017 WeakPolarHBondContact CD-OD1 3.24Å; R1008-D1017 WeakPolarHBondContact CG-OD1 3.22Å; R1008-D1017 IonicContact CZ-OD2 3.99Å; R1008-D1017 IonicContact NE-OD1 2.74Å; R1008-D1017 PolarHBondContact NE-OD1 3.34Å; R1008-D1017 IonicContact NE-OD2 3.42Å; R1008-D1017 PolarHBondContact NE-OD2 2.95Å; R1008-D1017 VanDerWaalsContact NE-OD2 3.11Å; R1008-D1017 IonicContact NH2-OD2 3.74Å
1009	D	49	Very low	42.9	Very low	5 Å²	5	53.1 Å²	53.1	3%	0.027	31%	0.313	C	S	.	.			trans	-113.8	109.4	168.7	-174.3	22.5	0	0	0	109.8	K550 L632 F1007 Q1011 C1016 K1018	K550-D1009 IonicContact NZ-OD1 2.69Å; K550-D1009 PolarHBondContact NZ-OD1 3.35Å; L632-D1009 HydrophobicContact CD1-CB 3.84Å; F1007-D1009 PolarHBondContact O-N 3.15Å; D1009-Q1011 PolarHBondContact O-N 3.41Å; D1009-C1016 VanDerWaalsContact O-O 3.07Å; D1009-K1018 HydrophobicContact CB-CB 4.47Å; D1009-K1018 HydrophobicContact CB-CD 4.25Å; D1009-K1018 IonicContact OD2-NZ 3.78Å
1010	I	48.1	Very low	43.8	Very low	11 Å²	11	48.4 Å²	48.4	6%	0.056	28%	0.28	C	S	.	.			trans	-85.1	106.4	179.9	-56.6	144	0	0	0	107.3	K550 P551 M556	K550-I1010 HydrophobicContact CB-CB 4.07Å; K550-I1010 HydrophobicContact CB-CG2 3.93Å; K550-I1010 HydrophobicContact CD-CB 4.15Å; K550-I1010 WeakPolarHBondContact CD-O 3.18Å; K550-I1010 WeakPolarHBondContact CE-O 3.21Å; K550-I1010 HydrophobicContact CG-CB 4.37Å; K550-I1010 HydrophobicContact CG-CG2 4.43Å; K550-I1010 WeakPolarHBondContact CG-O 3.25Å; K550-I1010 PolarHBondContact NZ-O 2.62Å; P551-I1010 HydrophobicContact CB-CG2 4.15Å; P551-I1010 HydrophobicContact CG-CG2 4.06Å; P551-I1010 WeakPolarHBondContact O-CD1 3.37Å; M556-I1010 HydrophobicContact CE-CD1 3.83Å; M556-I1010 HydrophobicContact SD-CD1 4.16Å
1011	Q	42.2	Very low	44.6	Very low	53 Å²	53	46.5 Å²	46.5	25%	0.248	27%	0.27	C	S	.	.			trans	-119.8	147.1	173.3	-88.4	-169.9	-24.3	0	0	111.6	D1009	D1009-Q1011 PolarHBondContact O-N 3.41Å
1012	E	41	Very low	45.5	Very low	144 Å²	144	44 Å²	44	67%	0.673	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	81.9	171.7	-64.1	-170.8	178.1	0	0	117.9	L1014	E1012-L1014 PolarHBondContact O-N 3.14Å
1013	G	41.5	Very low	46.3	Very low	77 Å²	77	43.6 Å²	43.6	79%	0.794	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	-7.9	156.4	0	0	0	0	0	117.6
1014	L	38.1	Very low	47.2	Very low	123 Å²	123	42.3 Å²	42.3	64%	0.644	24%	0.242	S	C	*	.	S	Bend	trans	-140.5	125.1	179.6	-76.1	160.6	0	0	0	107.5	E1012 C1016	E1012-L1014 PolarHBondContact O-N 3.14Å; L1014-C1016 PolarHBondContact O-N 3.05Å
1015	P	41.9	Very low	48.1	Very low	41 Å²	41	42 Å²	42	27%	0.266	24%	0.239	S	C	.	.			trans	-71.7	102.5	177.6	28.6	-31.9	0	0	0	109
1016	C	42.5	Very low	49	Very low	34 Å²	34	44.2 Å²	44.2	23%	0.23	25%	0.251	C	S	.	.			trans	-113.1	127	166.5	-61.6	0	0	0	0	109	D1009 L1014 L1103	D1009-C1016 VanDerWaalsContact O-O 3.07Å; L1014-C1016 PolarHBondContact O-N 3.05Å; C1016-L1103 HydrophobicContact CB-CD2 3.58Å
1017	D	45.1	Very low	49.9	Very low	31 Å²	31	45.1 Å²	45.1	17%	0.166	25%	0.252	C	S	.	.			trans	-74.1	133.1	174.4	-75.3	-15.4	0	0	0	109.5	R1008 A1107	R1008-D1017 WeakPolarHBondContact CD-OD1 3.24Å; R1008-D1017 WeakPolarHBondContact CG-OD1 3.22Å; R1008-D1017 IonicContact CZ-OD2 3.99Å; R1008-D1017 IonicContact NE-OD1 2.74Å; R1008-D1017 PolarHBondContact NE-OD1 3.34Å; R1008-D1017 IonicContact NE-OD2 3.42Å; R1008-D1017 PolarHBondContact NE-OD2 2.95Å; R1008-D1017 VanDerWaalsContact NE-OD2 3.11Å; R1008-D1017 IonicContact NH2-OD2 3.74Å; D1017-A1107 HydrophobicContact CB-CB 3.36Å
1018	K	47.2	Very low	50.7	Low	31 Å²	31	50.8 Å²	50.8	14%	0.135	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	102.6	175.9	-73.4	-170.5	-173.5	168.5	0	111.3	F1007 D1009 S1020 L1103	F1007-K1018 CarbonylContact O-C 3.54Å; D1009-K1018 HydrophobicContact CB-CB 4.47Å; D1009-K1018 HydrophobicContact CB-CD 4.25Å; D1009-K1018 IonicContact OD2-NZ 3.78Å; K1018-S1020 PolarHBondContact O-N 3.42Å; K1018-L1103 HydrophobicContact CG-CD2 4.5Å; K1018-L1103 HydrophobicContact CG-CG 4.21Å
1019	A	48.7	Very low	51.5	Low	20 Å²	20	48.5 Å²	48.5	17%	0.165	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.1	166.6	0	0	0	0	0	109.4	T1006 V1104	T1006-A1019 HydrophobicContact CG2-CB 3.89Å; A1019-V1104 HydrophobicContact CB-CG2 3.66Å
1020	S	50.8	Low	52.5	Low	2 Å²	2	56.9 Å²	56.9	1%	0.014	31%	0.306	C	S	.	.			trans	-127.5	129.8	179.1	-59.4	0	0	0	0	109.3	K1018 F1022 F1101	K1018-S1020 PolarHBondContact O-N 3.42Å; S1020-F1022 WeakPolarHBondContact O-CD2 3.36Å; S1020-F1022 VanDerWaalsContact O-CE2 3.31Å; S1020-F1022 WeakPolarHBondContact O-CE2 3.48Å; S1020-F1101 WeakPolarHBondContact OG-CD1 3.48Å
1021	S	52.5	Low	53.4	Low	30 Å²	30	57.8 Å²	57.8	21%	0.21	32%	0.318	C	S	.	.			trans	-103.6	132.7	177.8	-51.3	0	0	0	0	108.3	T1004	T1004-S1021 WeakPolarHBondContact CG2-OG 3.43Å
1022	F	56.1	Low	54.8	Low	13 Å²	13	57.9 Å²	57.9	6%	0.057	32%	0.324	C	S	.	.			trans	-126.4	160.4	-172.4	-60	-95.9	0	0	0	112.4	L632 V635 Y1003 P1005 F1007 S1020	L632-F1022 HydrophobicContact CB-CZ 4.5Å; L632-F1022 WeakPolarHBondContact O-CE1 3.47Å; L632-F1022 VanDerWaalsContact O-CZ 3.24Å; L632-F1022 WeakPolarHBondContact O-CZ 3.32Å; V635-F1022 HydrophobicContact CB-CD1 4.17Å; V635-F1022 HydrophobicContact CB-CE1 4.45Å; V635-F1022 HydrophobicContact CB-CG 4.37Å; V635-F1022 HydrophobicContact CG1-CD1 3.62Å; V635-F1022 HydrophobicContact CG1-CD2 4.22Å; V635-F1022 HydrophobicContact CG1-CE1 3.44Å; V635-F1022 VanDerWaalsContact CG1-CE1 3.44Å; V635-F1022 HydrophobicContact CG1-CE2 4.1Å; V635-F1022 HydrophobicContact CG1-CG 3.99Å; V635-F1022 HydrophobicContact CG1-CZ 3.69Å; V635-F1022 HydrophobicContact CG2-CB 3.43Å; V635-F1022 VanDerWaalsContact CG2-CB 3.43Å; V635-F1022 HydrophobicContact CG2-CD1 3.48Å; V635-F1022 VanDerWaalsContact CG2-CD1 3.48Å; V635-F1022 HydrophobicContact CG2-CD2 4.16Å; V635-F1022 HydrophobicContact CG2-CE1 4.21Å; V635-F1022 HydrophobicContact CG2-CG 3.42Å; V635-F1022 VanDerWaalsContact CG2-CG 3.42Å; Y1003-F1022 PolarHBondContact O-N 3.07Å; P1005-F1022 HydrophobicContact CG-CD2 3.32Å; P1005-F1022 HydrophobicContact CG-CE2 3.58Å; P1005-F1022 HydrophobicContact CG-CG 4.43Å; F1007-F1022 AromaticContact CD2-CE2 3.61Å; F1007-F1022 HydrophobicContact CD2-CE2 3.61Å; F1007-F1022 AromaticContact CD2-CZ 3.84Å; F1007-F1022 HydrophobicContact CD2-CZ 3.84Å; F1007-F1022 HydrophobicContact CE2-CD2 4.21Å; F1007-F1022 AromaticContact CE2-CE2 3.35Å; F1007-F1022 HydrophobicContact CE2-CE2 3.35Å; F1007-F1022 AromaticContact CE2-CZ 3.67Å; F1007-F1022 HydrophobicContact CE2-CZ 3.67Å; S1020-F1022 WeakPolarHBondContact O-CD2 3.36Å; S1020-F1022 VanDerWaalsContact O-CE2 3.31Å; S1020-F1022 WeakPolarHBondContact O-CE2 3.48Å
1023	Y	57.8	Low	56.6	Low	20 Å²	20	53.6 Å²	53.6	8%	0.078	31%	0.305	C	S	.	.			trans	-124.6	141.1	172	-60.4	-78.5	0	0	0	110.9	H930 F952 M971 V975 V979 W1099	H930-Y1023 PolarHBondContact ND1-O 3.2Å; F952-Y1023 HydrophobicContact CE2-CD2 4.39Å; F952-Y1023 HydrophobicContact CE2-CE2 4.45Å; F952-Y1023 HydrophobicContact CZ-CD2 4.23Å; F952-Y1023 AromaticContact CZ-CE2 3.85Å; F952-Y1023 HydrophobicContact CZ-CE2 3.85Å; M971-Y1023 HydrophobicContact CE-CD2 3.88Å; M971-Y1023 HydrophobicContact CE-CE2 3.72Å; M971-Y1023 HydrophobicContact CE-CG 4.48Å; V975-Y1023 HydrophobicContact CB-CE1 3.91Å; V975-Y1023 HydrophobicContact CG1-CD1 4.33Å; V975-Y1023 HydrophobicContact CG1-CE1 3.4Å; V975-Y1023 HydrophobicContact CG2-CD1 4Å; V975-Y1023 HydrophobicContact CG2-CE1 3.28Å; V975-Y1023 HydrophobicContact CG2-CE2 4.2Å; V975-Y1023 WeakPolarHBondContact CG2-OH 3.42Å; V979-Y1023 HydrophobicContact CG2-CD1 3.79Å; V979-Y1023 HydrophobicContact CG2-CE1 4.17Å; Y1023-W1099 AromaticContact CD1-CH2 3.69Å; Y1023-W1099 HydrophobicContact CD1-CH2 3.69Å; Y1023-W1099 HydrophobicContact CD1-CZ2 4.4Å; Y1023-W1099 HydrophobicContact CD1-CZ3 4.11Å; Y1023-W1099 HydrophobicContact CD2-CE3 4.25Å; Y1023-W1099 HydrophobicContact CD2-CH2 4.36Å; Y1023-W1099 HydrophobicContact CD2-CZ3 4.02Å; Y1023-W1099 HydrophobicContact CE1-CD2 4.22Å; Y1023-W1099 AromaticContact CE1-CE2 3.9Å; Y1023-W1099 HydrophobicContact CE1-CE3 4.13Å; Y1023-W1099 AromaticContact CE1-CH2 2.87Å; Y1023-W1099 HydrophobicContact CE1-CH2 2.87Å; Y1023-W1099 AromaticContact CE1-CZ2 3.23Å; Y1023-W1099 HydrophobicContact CE1-CZ2 3.23Å; Y1023-W1099 AromaticContact CE1-CZ3 3.51Å; Y1023-W1099 HydrophobicContact CE1-CZ3 3.51Å; Y1023-W1099 HydrophobicContact CE2-CB 4.28Å; Y1023-W1099 AromaticContact CE2-CD2 3.61Å; Y1023-W1099 HydrophobicContact CE2-CD2 3.61Å; Y1023-W1099 AromaticContact CE2-CE3 3.35Å; Y1023-W1099 HydrophobicContact CE2-CE3 3.35Å; Y1023-W1099 AromaticContact CE2-CG 3.95Å; Y1023-W1099 HydrophobicContact CE2-CG 3.95Å; Y1023-W1099 AromaticContact CE2-CH2 3.7Å; Y1023-W1099 HydrophobicContact CE2-CH2 3.7Å; Y1023-W1099 HydrophobicContact CE2-CZ2 4.17Å; Y1023-W1099 AromaticContact CE2-CZ3 3.42Å; Y1023-W1099 HydrophobicContact CE2-CZ3 3.42Å; Y1023-W1099 VanDerWaalsContact CE2-CZ3 3.42Å; Y1023-W1099 HydrophobicContact CG-CH2 4.4Å; Y1023-W1099 HydrophobicContact CG-CZ3 4.38Å; Y1023-W1099 AromaticContact CZ-CD2 3.3Å; Y1023-W1099 AromaticContact CZ-CE2 3.3Å; Y1023-W1099 AromaticContact CZ-CE3 3.37Å; Y1023-W1099 AromaticContact CZ-CG 3.81Å; Y1023-W1099 AromaticContact CZ-CH2 2.97Å; Y1023-W1099 AromaticContact CZ-CZ2 3.16Å; Y1023-W1099 AromaticContact CZ-CZ3 3.23Å; Y1023-W1099 AromaticContact CZ-NE1 3.89Å; Y1023-W1099 WeakPolarHBondContact OH-CH2 3.26Å; Y1023-W1099 WeakPolarHBondContact OH-CZ2 3.49Å; Y1023-W1099 PolarHBondContact OH-NE1 2.9Å
1024	L	60.3	Low	58.2	Low	29 Å²	29	53.2 Å²	53.2	15%	0.152	28%	0.283	C	S	.	.			trans	-110.4	120.5	168.7	-61.7	171.8	0	0	0	106.5	V635 T637 N1026	V635-L1024 HydrophobicContact CG2-CD2 4.39Å; V635-L1024 WeakPolarHBondContact O-CD2 3.31Å; T637-L1024 HydrophobicContact CG2-CD1 3.57Å; L1024-N1026 PolarHBondContact O-N 3.27Å
1025	L	62.3	Low	59.9	Low	33 Å²	33	47.5 Å²	47.5	17%	0.173	25%	0.254	C	S	.	.			trans	-59.4	128.8	171.9	-172.1	74.3	0	0	0	109	E929 F978 N1027 V1072	E929-L1025 HydrophobicContact CB-CB 4.28Å; F978-L1025 HydrophobicContact CD1-CD1 4Å; F978-L1025 HydrophobicContact CE1-CD1 4.31Å; L1025-N1027 PolarHBondContact O-N 3.18Å; L1025-V1072 HydrophobicContact CD1-CG2 3.78Å; L1025-V1072 HydrophobicContact CD2-CG2 3.89Å
1026	N	63.2	Low	61.2	Low	53 Å²	53	45.7 Å²	45.7	28%	0.283	24%	0.242	S	C	.	.			trans	-65.8	119.6	170.1	-178.8	-3.5	0	0	0	109.7	F978 L1024 D1028 F1029	F978-N1026 VanDerWaalsContact O-CB 3.26Å; F978-N1026 WeakPolarHBondContact O-CB 3.47Å; L1024-N1026 PolarHBondContact O-N 3.27Å; N1026-D1028 PolarHBondContact O-N 3.34Å; N1026-D1028 WeakPolarHBondContact OD1-CB 3.21Å; N1026-D1028 PolarHBondContact OD1-N 3.47Å; N1026-F1029 WeakPolarHBondContact O-CB 3.35Å; N1026-F1029 PolarHBondContact O-N 2.97Å
1027	N	61.6	Low	62.5	Low	107 Å²	107	49.6 Å²	49.6	57%	0.572	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-19	-178.7	-81.1	-28.4	0	0	0	114.6	L1025 F1029 R1065	L1025-N1027 PolarHBondContact O-N 3.18Å; N1027-F1029 VanDerWaalsContact C-N 3.27Å; N1027-F1029 PolarHBondContact O-N 2.95Å; N1027-R1065 PolarHBondContact OD1-NH1 2.69Å; N1027-R1065 PolarHBondContact OD1-NH2 3.18Å
1028	D	64.5	Low	63.4	Low	132 Å²	132	49 Å²	49	71%	0.706	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.1	176.7	-63.9	-32.8	0	0	0	112.9	N1026 R1030	N1026-D1028 PolarHBondContact O-N 3.34Å; N1026-D1028 WeakPolarHBondContact OD1-CB 3.21Å; N1026-D1028 PolarHBondContact OD1-N 3.47Å; D1028-R1030 PolarHBondContact O-N 2.86Å
1029	F	68	Low	63.7	Low	29 Å²	29	53.8 Å²	53.8	13%	0.127	28%	0.279	C	S	.	.			trans	-71.7	122.8	178.9	176.4	-95.2	0	0	0	111.7	F978 N1026 N1027 G1031 L1033 V1063 R1065	F978-F1029 HydrophobicContact CD1-CB 4.16Å; F978-F1029 HydrophobicContact CD1-CD1 4.01Å; F978-F1029 HydrophobicContact CD1-CD2 4.04Å; F978-F1029 HydrophobicContact CD1-CE1 4.44Å; F978-F1029 HydrophobicContact CD1-CE2 4.48Å; F978-F1029 AromaticContact CD1-CG 3.78Å; F978-F1029 HydrophobicContact CD1-CG 3.78Å; F978-F1029 HydrophobicContact CE1-CB 4.16Å; F978-F1029 AromaticContact CE1-CD1 3.2Å; F978-F1029 HydrophobicContact CE1-CD1 3.2Å; F978-F1029 AromaticContact CE1-CD2 3.51Å; F978-F1029 HydrophobicContact CE1-CD2 3.51Å; F978-F1029 AromaticContact CE1-CE1 3.27Å; F978-F1029 HydrophobicContact CE1-CE1 3.27Å; F978-F1029 AromaticContact CE1-CE2 3.58Å; F978-F1029 HydrophobicContact CE1-CE2 3.58Å; F978-F1029 AromaticContact CE1-CG 3.31Å; F978-F1029 HydrophobicContact CE1-CG 3.31Å; F978-F1029 AromaticContact CE1-CZ 3.47Å; F978-F1029 HydrophobicContact CE1-CZ 3.47Å; F978-F1029 VanDerWaalsContact CE1-CZ 3.47Å; F978-F1029 HydrophobicContact CE2-CE2 4.2Å; F978-F1029 HydrophobicContact CE2-CZ 4.36Å; F978-F1029 AromaticContact CZ-CD1 3.96Å; F978-F1029 HydrophobicContact CZ-CD1 3.96Å; F978-F1029 AromaticContact CZ-CD2 3.82Å; F978-F1029 HydrophobicContact CZ-CD2 3.82Å; F978-F1029 AromaticContact CZ-CE1 3.56Å; F978-F1029 HydrophobicContact CZ-CE1 3.56Å; F978-F1029 AromaticContact CZ-CE2 3.41Å; F978-F1029 HydrophobicContact CZ-CE2 3.41Å; F978-F1029 VanDerWaalsContact CZ-CE2 3.41Å; F978-F1029 HydrophobicContact CZ-CG 4.06Å; F978-F1029 AromaticContact CZ-CZ 3.26Å; F978-F1029 HydrophobicContact CZ-CZ 3.26Å; N1026-F1029 WeakPolarHBondContact O-CB 3.35Å; N1026-F1029 PolarHBondContact O-N 2.97Å; N1027-F1029 VanDerWaalsContact C-N 3.27Å; N1027-F1029 PolarHBondContact O-N 2.95Å; F1029-G1031 VanDerWaalsContact CZ-CA 3.4Å; F1029-L1033 HydrophobicContact CE2-CB 3.79Å; F1029-L1033 HydrophobicContact CE2-CD2 4.04Å; F1029-L1033 HydrophobicContact CZ-CB 4.07Å; F1029-V1063 HydrophobicContact CZ-CG1 4.2Å; F1029-R1065 HydrophobicContact CD1-CB 3.89Å; F1029-R1065 HydrophobicContact CE1-CB 4.01Å; F1029-R1065 WeakPolarHBondContact O-CD 3.32Å
1030	R	68.7	Low	64.1	Low	181 Å²	181	56.3 Å²	56.3	68%	0.683	29%	0.287	S	S	*	.			trans	-113.9	-19.1	175.5	-61.7	-171.9	-178	-169.4	0.5	114.5	D1028 T1064 R1065	D1028-R1030 PolarHBondContact O-N 2.86Å; R1030-T1064 PolarHBondContact O-OG1 3.23Å; R1030-R1065 PolarHBondContact O-N 3.41Å
1031	G	67.7	Low	64.2	Low	30 Å²	30	61.1 Å²	61.1	31%	0.309	31%	0.311	S	S	.	.			trans	65.9	-174.6	-173.6	0	0	0	0	0	114.1	F1029	F1029-G1031 VanDerWaalsContact CZ-CA 3.4Å
1032	P	72.3	Confident	64.1	Low	55 Å²	55	61.1 Å²	61.1	36%	0.357	31%	0.311	S	S	.	.			cis	-75.7	139.6	-8.4	32.6	-35.8	0	0	0	111.6	D38 V1063	D38-P1032 HydrophobicContact CB-CB 4.3Å; D38-P1032 HydrophobicContact CB-CG 3.93Å; P1032-V1063 CarbonylContact C-O 3.03Å; P1032-V1063 WeakPolarHBondContact CA-O 3.49Å
1033	L	76.9	Confident	63.5	Low	55 Å²	55	62.1 Å²	62.1	29%	0.288	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.7	177.2	-176.1	69.6	0	0	0	109.6	K977 F978 F1029 Y1062 V1063	K977-L1033 HydrophobicContact CB-CD2 4.09Å; K977-L1033 HydrophobicContact CD-CD2 3.64Å; K977-L1033 HydrophobicContact CD-CG 4.32Å; F978-L1033 HydrophobicContact CD2-CD2 4.48Å; F978-L1033 HydrophobicContact CE2-CD2 3.77Å; F978-L1033 HydrophobicContact CZ-CD2 4.32Å; F1029-L1033 HydrophobicContact CE2-CB 3.79Å; F1029-L1033 HydrophobicContact CE2-CD2 4.04Å; F1029-L1033 HydrophobicContact CZ-CB 4.07Å; L1033-Y1062 WeakPolarHBondContact O-CA 2.94Å; L1033-V1063 HydrophobicContact CB-CG1 3.93Å; L1033-V1063 PolarHBondContact N-O 2.95Å; L1033-V1063 PolarHBondContact O-N 2.9Å
1034	M	76.6	Confident	62.7	Low	68 Å²	68	63.9 Å²	63.9	34%	0.335	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.6	174.3	-173.3	159.6	37	0	0	109.2	K977 Q1037 Y1062	K977-M1034 PolarHBondContact NZ-O 3.44Å; M1034-Q1037 VanDerWaalsContact CE-OE1 3.29Å; M1034-Q1037 HydrophobicContact CG-CB 4.3Å; M1034-Q1037 HydrophobicContact SD-CB 3.68Å; M1034-Q1037 HydrophobicContact SD-CG 3.83Å; M1034-Y1062 HydrophobicContact CB-CD1 4.02Å; M1034-Y1062 HydrophobicContact CB-CE1 3.97Å; M1034-Y1062 HydrophobicContact CG-CD1 4.15Å; M1034-Y1062 HydrophobicContact CG-CE1 3.77Å; M1034-Y1062 HydrophobicContact SD-CE1 3.62Å
1035	L	74.1	Confident	61.6	Low	4 Å²	4	68 Å²	68	2%	0.021	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-38.6	177.9	-65.3	-179.5	0	0	0	111.5	L970 Q973 M974 K977 F978 A1061 V1063 L1074	L970-L1035 HydrophobicContact CD2-CB 4.2Å; L970-L1035 HydrophobicContact CD2-CD1 4.37Å; Q973-L1035 HydrophobicContact CB-CB 4.44Å; Q973-L1035 HydrophobicContact CB-CD2 4.27Å; M974-L1035 HydrophobicContact CG-CD1 3.5Å; M974-L1035 VanDerWaalsContact CG-CD1 3.5Å; M974-L1035 HydrophobicContact CG-CD2 3.97Å; M974-L1035 HydrophobicContact CG-CG 4.39Å; M974-L1035 HydrophobicContact SD-CD1 4.17Å; K977-L1035 HydrophobicContact CD-CD2 4.41Å; F978-L1035 HydrophobicContact CE2-CD2 4.41Å; L1035-A1061 HydrophobicContact CB-CB 4.07Å; L1035-A1061 PolarHBondContact N-O 2.85Å; L1035-V1063 HydrophobicContact CD1-CB 3.88Å; L1035-V1063 HydrophobicContact CD1-CG1 3.88Å; L1035-V1063 HydrophobicContact CD2-CG1 3.69Å; L1035-V1063 HydrophobicContact CG-CB 4.12Å; L1035-V1063 HydrophobicContact CG-CG1 3.65Å; L1035-L1074 HydrophobicContact CD1-CD1 3.52Å
1036	A	69.2	Low	60.4	Low	3 Å²	3	72.7 Å²	72.7	3%	0.025	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	142.9	-178.7	0	0	0	0	0	111.2	F969 Q1040 L1059 A1061	F969-A1036 HydrophobicContact CE1-CB 4.25Å; A1036-Q1040 VanDerWaalsContact CB-OE1 3.22Å; A1036-L1059 CarbonylContact C-O 3.49Å; A1036-L1059 HydrophobicContact CB-CB 4.42Å; A1036-L1059 HydrophobicContact CB-CD2 4Å; A1036-L1059 HydrophobicContact CB-CG 4.05Å; A1036-A1061 HydrophobicContact CB-CB 3.96Å; A1036-A1061 PolarHBondContact N-O 3.25Å; A1036-A1061 PolarHBondContact O-N 3.03Å
1037	Q	69.7	Low	59	Low	116 Å²	116	75.7 Å²	75.7	54%	0.542	42%	0.415	S	S	.	.			trans	-143.9	122.1	176.4	-169.1	-178.5	2.2	0	0	111	M1034 L1059	M1034-Q1037 VanDerWaalsContact CE-OE1 3.29Å; M1034-Q1037 HydrophobicContact CG-CB 4.3Å; M1034-Q1037 HydrophobicContact SD-CB 3.68Å; M1034-Q1037 HydrophobicContact SD-CG 3.83Å; Q1037-L1059 PolarHBondContact N-O 3.3Å
1038	G	63.2	Low	57.7	Low	18 Å²	18	73.8 Å²	73.8	19%	0.186	42%	0.42	C	S	.	.	S	Bend	trans	77	-153	169.8	0	0	0	0	0	114.4	Q1040 N1058 L1059 H1060	G1038-Q1040 PolarHBondContact O-N 3.11Å; G1038-N1058 WeakPolarHBondContact O-CA 3.33Å; G1038-L1059 PolarHBondContact N-O 3.05Å; G1038-L1059 PolarHBondContact O-N 3.19Å; G1038-L1059 VanDerWaalsContact O-N 3.16Å; G1038-H1060 PolarHBondContact N-CE1 3.12Å
1039	K	54.5	Low	56.1	Low	132 Å²	132	75.1 Å²	75.1	57%	0.574	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	91.6	-177.6	-71.8	-173.2	165.3	-170.7	0	110.7	Y1056 C1057 N1058	K1039-Y1056 HydrophobicContact CB-CD1 3.91Å; K1039-Y1056 HydrophobicContact CB-CG 4.41Å; K1039-Y1056 HydrophobicContact CD-CD1 3.73Å; K1039-Y1056 HydrophobicContact CD-CD2 4.38Å; K1039-Y1056 HydrophobicContact CD-CE1 4.42Å; K1039-Y1056 HydrophobicContact CD-CG 3.69Å; K1039-Y1056 HydrophobicContact CG-CD1 4.23Å; K1039-Y1056 HydrophobicContact CG-CG 4.27Å; K1039-C1057 WeakPolarHBondContact CA-O 3.41Å; K1039-N1058 WeakPolarHBondContact CG-OD1 3.38Å; K1039-N1058 PolarHBondContact N-OD1 2.82Å
1040	Q	55.9	Low	54.5	Low	72 Å²	72	79 Å²	79	34%	0.336	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.9	178.2	-142.5	168	-0.5	0	0	109.8	F969 A1036 G1038 C1057	F969-Q1040 HydrophobicContact CZ-CG 4.5Å; A1036-Q1040 VanDerWaalsContact CB-OE1 3.22Å; G1038-Q1040 PolarHBondContact O-N 3.11Å; Q1040-C1057 PolarHBondContact N-O 2.91Å; Q1040-C1057 VanDerWaalsContact N-O 3.16Å
1041	M	52.8	Low	53	Low	103 Å²	103	80 Å²	80	51%	0.507	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	133.2	-164.3	-70.5	172.8	75.3	0	0	113.8	V1054	M1041-V1054 HydrophobicContact CE-CG1 3.74Å; M1041-V1054 HydrophobicContact CE-CG2 4.33Å; M1041-V1054 HydrophobicContact CG-CG1 4.43Å
1042	C	49.6	Very low	51.6	Low	31 Å²	31	82.5 Å²	82.5	21%	0.209	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	105.3	141.7	-66.4	0	0	0	0	105.6	C1088	C1042-C1088 HydrophobicContact CB-CB 4.19Å; C1042-C1088 WeakPolarHBondContact CB-SG 2.83Å; C1042-C1088 WeakPolarHBondContact SG-CB 3.33Å; C1042-C1088 CovalentContact SG-SG 2.06Å; C1042-C1088 PolarHBondContact SG-SG 3.2Å
1043	S	44.3	Very low	50.1	Low	34 Å²	34	87.3 Å²	87.3	24%	0.238	50%	0.503	C	S	.	.			trans	-107.5	121.7	-179.8	71.5	0	0	0	0	111.6	Y1091	S1043-Y1091 WeakPolarHBondContact O-CE2 2.91Å
1044	S	40.4	Very low	48.6	Very low	57 Å²	57	87.4 Å²	87.4	40%	0.399	51%	0.506	S	S	.	.			trans	-76.7	121.2	168.1	60.5	0	0	0	0	110.1
1045	S	37	Very low	47.2	Very low	116 Å²	116	86.9 Å²	86.9	81%	0.811	50%	0.504	S	S	*	.			trans	-105.7	93.4	158.5	66.2	0	0	0	0	108.4
1046	I	38.9	Very low	46.3	Very low	131 Å²	131	91.9 Å²	91.9	67%	0.672	52%	0.523	S	S	*	.			trans	-103.7	119.9	162.9	-63.2	177.3	0	0	0	106.7
1047	S	34	Very low	45.9	Very low	116 Å²	116	92.7 Å²	92.7	81%	0.811	53%	0.528	S	S	*	.			trans	-62.9	129	171.2	50	0	0	0	0	110.9
1048	G	32.8	Very low	45.7	Very low	67 Å²	67	90 Å²	90	69%	0.691	52%	0.518	S	S	*	.	S	Bend	trans	117.2	98.4	169.3	0	0	0	0	0	112.9
1049	D	31.2	Very low	46.2	Very low	160 Å²	160	89.5 Å²	89.5	86%	0.856	51%	0.511	S	S	*	.	S	Bend	trans	43.1	119.1	160.5	-63.6	-23.8	0	0	0	120.2
1050	S	35.3	Very low	47.3	Very low	110 Å²	110	85.1 Å²	85.1	77%	0.769	49%	0.492	S	S	*	.	S	Bend	trans	85.2	103.9	162.8	70.8	0	0	0	0	119
1051	F	37.4	Very low	48.6	Very low	203 Å²	203	81.7 Å²	81.7	89%	0.89	48%	0.476	S	S	*	.			trans	52.8	93.1	162.4	-58.2	-79.5	0	0	0	119.2	Q1053	F1051-Q1053 PolarHBondContact O-N 3.34Å
1052	A	37.2	Very low	50.3	Low	82 Å²	82	77 Å²	77	68%	0.678	45%	0.453	S	S	*	.			trans	-70.5	115.8	164.2	0	0	0	0	0	111.4	V1054	A1052-V1054 PolarHBondContact O-N 2.91Å
1053	Q	40.4	Very low	52.1	Low	155 Å²	155	75.5 Å²	75.5	72%	0.724	44%	0.443	S	S	*	.			trans	-82.8	107.2	168.1	-86.5	-176.4	-17	0	0	110	F1051	F1051-Q1053 PolarHBondContact O-N 3.34Å
1054	V	46	Very low	54.1	Low	57 Å²	57	73.9 Å²	73.9	35%	0.345	43%	0.432	S	S	.	.			trans	-84.6	111.6	167.5	179.7	0	0	0	0	108.2	M1041 A1052 Y1056	M1041-V1054 HydrophobicContact CE-CG1 3.74Å; M1041-V1054 HydrophobicContact CE-CG2 4.33Å; M1041-V1054 HydrophobicContact CG-CG1 4.43Å; A1052-V1054 PolarHBondContact O-N 2.91Å; V1054-Y1056 HydrophobicContact CG1-CD1 4.41Å; V1054-Y1056 HydrophobicContact CG1-CE1 3.95Å; V1054-Y1056 HydrophobicContact CG1-CE2 4.43Å
1055	I	48.4	Very low	56.3	Low	58 Å²	58	72 Å²	72	30%	0.297	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	130.2	175.3	-57.2	-178.6	0	0	0	108.8	L1087	I1055-L1087 HydrophobicContact CD1-CD1 3.71Å; I1055-L1087 HydrophobicContact CD1-CD2 3.75Å; I1055-L1087 HydrophobicContact CD1-CG 4.33Å
1056	Y	53.4	Low	58.8	Low	108 Å²	108	66.5 Å²	66.5	42%	0.424	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.7	-177.5	-61	-77.3	0	0	0	110.1	K1039 V1054	K1039-Y1056 HydrophobicContact CB-CD1 3.91Å; K1039-Y1056 HydrophobicContact CB-CG 4.41Å; K1039-Y1056 HydrophobicContact CD-CD1 3.73Å; K1039-Y1056 HydrophobicContact CD-CD2 4.38Å; K1039-Y1056 HydrophobicContact CD-CE1 4.42Å; K1039-Y1056 HydrophobicContact CD-CG 3.69Å; K1039-Y1056 HydrophobicContact CG-CD1 4.23Å; K1039-Y1056 HydrophobicContact CG-CG 4.27Å; V1054-Y1056 HydrophobicContact CG1-CD1 4.41Å; V1054-Y1056 HydrophobicContact CG1-CE1 3.95Å; V1054-Y1056 HydrophobicContact CG1-CE2 4.43Å
1057	C	60.8	Low	61.1	Low	20 Å²	20	65.1 Å²	65.1	14%	0.135	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127	167.8	172.7	0	0	0	0	109.2	K1039 Q1040 L1059 C1083	K1039-C1057 WeakPolarHBondContact CA-O 3.41Å; Q1040-C1057 PolarHBondContact N-O 2.91Å; Q1040-C1057 VanDerWaalsContact N-O 3.16Å; C1057-L1059 PolarHBondContact O-N 3.33Å; C1057-C1083 HydrophobicContact CB-CB 3.98Å; C1057-C1083 WeakPolarHBondContact CB-SG 3.17Å; C1057-C1083 WeakPolarHBondContact SG-CB 3.3Å; C1057-C1083 CovalentContact SG-SG 2.02Å; C1057-C1083 PolarHBondContact SG-SG 3.04Å
1058	N	66	Low	63.7	Low	59 Å²	59	66.1 Å²	66.1	32%	0.316	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	95.4	171.4	-86.6	-18.8	0	0	0	108.9	G1038 K1039	G1038-N1058 WeakPolarHBondContact O-CA 3.33Å; K1039-N1058 WeakPolarHBondContact CG-OD1 3.38Å; K1039-N1058 PolarHBondContact N-OD1 2.82Å
1059	L	73.1	Confident	66.4	Low	9 Å²	9	62.9 Å²	62.9	5%	0.047	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.1	177.8	-175	66.5	0	0	0	110	I966 F969 L970 A1036 Q1037 G1038 C1057 Y1076	I966-L1059 HydrophobicContact CG2-CD1 4.1Å; I966-L1059 HydrophobicContact CG2-CD2 4.1Å; F969-L1059 HydrophobicContact CD1-CD2 3.95Å; F969-L1059 HydrophobicContact CE1-CD2 3.94Å; L970-L1059 HydrophobicContact CD2-CD2 4.13Å; A1036-L1059 CarbonylContact C-O 3.49Å; A1036-L1059 HydrophobicContact CB-CB 4.42Å; A1036-L1059 HydrophobicContact CB-CD2 4Å; A1036-L1059 HydrophobicContact CB-CG 4.05Å; Q1037-L1059 PolarHBondContact N-O 3.3Å; G1038-L1059 PolarHBondContact N-O 3.05Å; G1038-L1059 PolarHBondContact O-N 3.19Å; G1038-L1059 VanDerWaalsContact O-N 3.16Å; C1057-L1059 PolarHBondContact O-N 3.33Å; L1059-Y1076 HydrophobicContact CD1-CD2 3.81Å; L1059-Y1076 HydrophobicContact CD1-CG 4.43Å
1060	H	77.7	Confident	69.2	Low	39 Å²	39	55.3 Å²	55.3	18%	0.181	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.3	171.5	-68.7	-82.3	0	0	0	108.5	G1038 Y1062 Y1076 S1077	G1038-H1060 PolarHBondContact N-CE1 3.12Å; H1060-Y1062 HydrophobicContact CB-CE2 4.34Å; H1060-Y1076 CarbonylContact O-C 3.57Å; H1060-Y1076 WeakPolarHBondContact O-CA 3.45Å; H1060-Y1076 WeakPolarHBondContact O-CB 3.46Å; H1060-S1077 PolarHBondContact N-O 3.18Å; H1060-S1077 VanDerWaalsContact N-O 3.15Å; H1060-S1077 PolarHBondContact O-N 2.81Å
1061	A	84.2	Confident	71.8	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.1	-177.6	0	0	0	0	0	111.5	L970 L1035 A1036 V1075	L970-A1061 HydrophobicContact CD1-CB 4.25Å; L970-A1061 HydrophobicContact CD2-CB 3.4Å; L970-A1061 VanDerWaalsContact CD2-CB 3.4Å; L970-A1061 HydrophobicContact CG-CB 4.49Å; L1035-A1061 HydrophobicContact CB-CB 4.07Å; L1035-A1061 PolarHBondContact N-O 2.85Å; A1036-A1061 HydrophobicContact CB-CB 3.96Å; A1036-A1061 PolarHBondContact N-O 3.25Å; A1036-A1061 PolarHBondContact O-N 3.03Å; A1061-V1075 CarbonylContact C-O 3.58Å; A1061-V1075 WeakPolarHBondContact CA-O 3.44Å
1062	Y	87.5	Confident	74.3	Confident	5 Å²	5	40.6 Å²	40.6	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.2	-179.6	-58.5	-88.8	0	0	0	109.7	G30 I33 L1033 M1034 H1060 V1075	G30-Y1062 PolarHBondContact O-OH 2.64Å; I33-Y1062 HydrophobicContact CB-CE2 4.09Å; I33-Y1062 HydrophobicContact CG2-CD2 3.99Å; I33-Y1062 HydrophobicContact CG2-CE2 3.84Å; L1033-Y1062 WeakPolarHBondContact O-CA 2.94Å; M1034-Y1062 HydrophobicContact CB-CD1 4.02Å; M1034-Y1062 HydrophobicContact CB-CE1 3.97Å; M1034-Y1062 HydrophobicContact CG-CD1 4.15Å; M1034-Y1062 HydrophobicContact CG-CE1 3.77Å; M1034-Y1062 HydrophobicContact SD-CE1 3.62Å; H1060-Y1062 HydrophobicContact CB-CE2 4.34Å; Y1062-V1075 PolarHBondContact N-O 2.82Å; Y1062-V1075 PolarHBondContact O-N 3.44Å
1063	V	87.3	Confident	76.8	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	137	177.8	65.4	0	0	0	0	110	M974 F978 F1029 P1032 L1033 L1035 V1072 L1073 L1074	M974-V1063 HydrophobicContact SD-CG2 4.05Å; F978-V1063 HydrophobicContact CE2-CG1 3.89Å; F978-V1063 HydrophobicContact CZ-CG1 3.58Å; F978-V1063 HydrophobicContact CZ-CG2 4.09Å; F1029-V1063 HydrophobicContact CZ-CG1 4.2Å; P1032-V1063 CarbonylContact C-O 3.03Å; P1032-V1063 WeakPolarHBondContact CA-O 3.49Å; L1033-V1063 HydrophobicContact CB-CG1 3.93Å; L1033-V1063 PolarHBondContact N-O 2.95Å; L1033-V1063 PolarHBondContact O-N 2.9Å; L1035-V1063 HydrophobicContact CD1-CB 3.88Å; L1035-V1063 HydrophobicContact CD1-CG1 3.88Å; L1035-V1063 HydrophobicContact CD2-CG1 3.69Å; L1035-V1063 HydrophobicContact CG-CB 4.12Å; L1035-V1063 HydrophobicContact CG-CG1 3.65Å; V1063-V1072 HydrophobicContact CG2-CG1 3.21Å; V1063-L1073 CarbonylContact C-O 3.53Å; V1063-L1073 VanDerWaalsContact CA-O 3.3Å; V1063-L1073 WeakPolarHBondContact CA-O 3.09Å; V1063-L1074 HydrophobicContact CB-CD1 4.2Å
1064	T	88.2	Confident	79.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.3	177.2	-167.7	0	0	0	0	111.2	V37 A41 R1030 L1073	V37-T1064 HydrophobicContact CG1-CG2 3.9Å; A41-T1064 HydrophobicContact CB-CG2 3.4Å; R1030-T1064 PolarHBondContact O-OG1 3.23Å; T1064-L1073 HydrophobicContact CG2-CB 4Å; T1064-L1073 HydrophobicContact CG2-CD2 4.23Å; T1064-L1073 HydrophobicContact CG2-CG 4.44Å; T1064-L1073 PolarHBondContact N-O 3.47Å; T1064-L1073 PolarHBondContact O-N 3.3Å
1065	R	86.5	Confident	81.2	Confident	17 Å²	17	26.8 Å²	26.8	6%	0.064	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.7	176.7	-178.8	176.9	176	150	-5.1	108.7	E843 N1027 F1029 R1030 Q1067	E843-R1065 IonicContact OE1-NH2 2.98Å; E843-R1065 IonicContact OE2-NH2 3.46Å; E843-R1065 PolarHBondContact OE2-NH2 3.35Å; N1027-R1065 PolarHBondContact OD1-NH1 2.69Å; N1027-R1065 PolarHBondContact OD1-NH2 3.18Å; F1029-R1065 HydrophobicContact CD1-CB 3.89Å; F1029-R1065 HydrophobicContact CE1-CB 4.01Å; F1029-R1065 WeakPolarHBondContact O-CD 3.32Å; R1030-R1065 PolarHBondContact O-N 3.41Å; R1065-Q1067 PolarHBondContact O-N 3.46Å
1066	I	89.7	Confident	82.9	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.107	C	C	.	.			trans	-81.1	112.8	174.4	-63	163	0	0	0	107.8	A41 F44 G45 L926 T1069 M1071 L1073	A41-I1066 HydrophobicContact CB-CG1 4.03Å; F44-I1066 HydrophobicContact CD1-CD1 3.84Å; F44-I1066 HydrophobicContact CE1-CD1 4.12Å; G45-I1066 VanDerWaalsContact CA-CG2 3.43Å; L926-I1066 HydrophobicContact CD2-CD1 3.47Å; L926-I1066 VanDerWaalsContact CD2-CD1 3.47Å; I1066-T1069 WeakPolarHBondContact CB-OG1 3.22Å; I1066-T1069 HydrophobicContact CG2-CG2 3.82Å; I1066-T1069 WeakPolarHBondContact CG2-OG1 3.48Å; I1066-T1069 PolarHBondContact O-N 3.18Å; I1066-T1069 PolarHBondContact O-OG1 3.39Å; I1066-M1071 HydrophobicContact CD1-CB 4.01Å; I1066-M1071 PolarHBondContact N-O 3.47Å; I1066-L1073 HydrophobicContact CD1-CB 4.1Å; I1066-L1073 HydrophobicContact CG1-CB 4.17Å
1067	Q	87.2	Confident	84.1	Confident	103 Å²	103	19.9 Å²	19.9	48%	0.481	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	144.4	-178.9	-64.8	-173.4	-13.2	0	0	111.8	R1065 T1069	R1065-Q1067 PolarHBondContact O-N 3.46Å; Q1067-T1069 PolarHBondContact O-N 3.4Å
1068	R	87.6	Confident	84.3	Confident	136 Å²	136	20.5 Å²	20.5	51%	0.513	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	18.1	-178.6	-51.5	-175.1	174.1	-177.3	-4	114.8	Y49 E843 F844	Y49-R1068 VanDerWaalsContact CD1-NH1 3.31Å; Y49-R1068 HydrophobicContact CD2-CB 3.59Å; Y49-R1068 HydrophobicContact CD2-CG 4.19Å; Y49-R1068 HydrophobicContact CE2-CB 4.12Å; Y49-R1068 HydrophobicContact CE2-CG 4.42Å; Y49-R1068 HydrophobicContact CG-CB 4.24Å; E843-R1068 WeakPolarHBondContact CA-O 3.48Å; E843-R1068 PolarHBondContact OE1-N 3.22Å; F844-R1068 PolarHBondContact N-O 3.23Å
1069	T	90.4	Very high	83.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-138.1	162.4	175.1	77.7	0	0	0	0	110.3	F844 F846 I1066 Q1067 M1071	F844-T1069 WeakPolarHBondContact O-CA 3.45Å; F846-T1069 HydrophobicContact CD2-CG2 4.14Å; F846-T1069 HydrophobicContact CE2-CG2 3.7Å; I1066-T1069 WeakPolarHBondContact CB-OG1 3.22Å; I1066-T1069 HydrophobicContact CG2-CG2 3.82Å; I1066-T1069 WeakPolarHBondContact CG2-OG1 3.48Å; I1066-T1069 PolarHBondContact O-N 3.18Å; I1066-T1069 PolarHBondContact O-OG1 3.39Å; Q1067-T1069 PolarHBondContact O-N 3.4Å; T1069-M1071 HydrophobicContact CG2-CE 4.11Å; T1069-M1071 PolarHBondContact O-N 2.7Å; T1069-M1071 PolarHBondContact OG1-N 2.89Å
1070	N	88.4	Confident	82.9	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-77	-1.2	169.7	65.4	-45.2	0	0	0	113.9	F839 F844 F846 E929	F839-N1070 HydrophobicContact CE1-CB 3.91Å; F839-N1070 HydrophobicContact CE2-CB 4.27Å; F839-N1070 HydrophobicContact CZ-CB 3.61Å; F844-N1070 PolarHBondContact O-N 3.13Å; F844-N1070 PolarHBondContact O-OD1 3.24Å; F846-N1070 PolarHBondContact N-OD1 3.23Å; F846-N1070 PolarHBondContact O-ND2 3.18Å; F846-N1070 VanDerWaalsContact O-ND2 3.08Å; E929-N1070 HydrophobicContact CB-CB 4.5Å; E929-N1070 PolarHBondContact N-O 3.03Å; E929-N1070 PolarHBondContact OE2-ND2 3.05Å
1071	M	90.5	Very high	81.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.			trans	-93.5	148.9	-167.4	-62.4	-177.9	-70.7	0	0	113.9	F44 L48 F846 F904 L926 L927 V934 I1066 T1069	F44-M1071 HydrophobicContact CE1-CE 4.08Å; L48-M1071 HydrophobicContact CD1-CE 3.77Å; F846-M1071 HydrophobicContact CB-CE 4.18Å; F846-M1071 HydrophobicContact CB-CG 4.38Å; F846-M1071 HydrophobicContact CB-SD 3.97Å; F846-M1071 HydrophobicContact CD2-CE 3.76Å; F846-M1071 HydrophobicContact CE2-CE 4.28Å; F846-M1071 HydrophobicContact CG-CE 3.93Å; F846-M1071 HydrophobicContact CG-SD 4.37Å; F904-M1071 HydrophobicContact CE2-CE 4.45Å; F904-M1071 HydrophobicContact CZ-CE 4.3Å; F904-M1071 HydrophobicContact CZ-SD 4Å; L926-M1071 HydrophobicContact CB-SD 4.46Å; L926-M1071 HydrophobicContact CD1-SD 4.16Å; L927-M1071 CarbonylContact O-C 3.56Å; L927-M1071 VanDerWaalsContact O-CA 3.29Å; L927-M1071 WeakPolarHBondContact O-CA 3.29Å; V934-M1071 HydrophobicContact CG1-SD 3.94Å; I1066-M1071 HydrophobicContact CD1-CB 4.01Å; I1066-M1071 PolarHBondContact N-O 3.47Å; T1069-M1071 HydrophobicContact CG2-CE 4.11Å; T1069-M1071 PolarHBondContact O-N 2.7Å; T1069-M1071 PolarHBondContact OG1-N 2.89Å
1072	V	89.1	Confident	79.9	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.03	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.7	172.9	179.4	0	0	0	0	109.2	L926 L927 L1025 V1063	L926-V1072 WeakPolarHBondContact CA-O 3.33Å; L927-V1072 PolarHBondContact N-O 3Å; L927-V1072 PolarHBondContact O-N 3.3Å; L1025-V1072 HydrophobicContact CD1-CG2 3.78Å; L1025-V1072 HydrophobicContact CD2-CG2 3.89Å; V1063-V1072 HydrophobicContact CG2-CG1 3.21Å
1073	L	91.4	Very high	78.4	Confident	1 Å²	1	39 Å²	39	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.4	174.5	174.3	62.4	0	0	0	109.6	V37 A41 M908 L926 V1063 T1064 I1066 V1075	V37-L1073 HydrophobicContact CG1-CD2 4.06Å; A41-L1073 HydrophobicContact CB-CD2 4.04Å; M908-L1073 HydrophobicContact CE-CD1 3.52Å; M908-L1073 HydrophobicContact CE-CD2 4.2Å; L926-L1073 HydrophobicContact CD2-CB 3.98Å; L926-L1073 HydrophobicContact CD2-CD1 3.69Å; L926-L1073 HydrophobicContact CD2-CG 4.42Å; V1063-L1073 CarbonylContact C-O 3.53Å; V1063-L1073 VanDerWaalsContact CA-O 3.3Å; V1063-L1073 WeakPolarHBondContact CA-O 3.09Å; T1064-L1073 HydrophobicContact CG2-CB 4Å; T1064-L1073 HydrophobicContact CG2-CD2 4.23Å; T1064-L1073 HydrophobicContact CG2-CG 4.44Å; T1064-L1073 PolarHBondContact N-O 3.47Å; T1064-L1073 PolarHBondContact O-N 3.3Å; I1066-L1073 HydrophobicContact CD1-CB 4.1Å; I1066-L1073 HydrophobicContact CG1-CB 4.17Å; L1073-V1075 HydrophobicContact CD1-CG2 3.83Å; L1073-V1075 HydrophobicContact CD2-CG2 4.17Å; L1073-V1075 HydrophobicContact CG-CG2 3.85Å
1074	L	89.7	Confident	76.8	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.9	171.3	175.2	67.3	0	0	0	109.3	C924 Y925 L927 F953 L970 M974 L1035 V1063	C924-L1074 WeakPolarHBondContact CA-O 3.46Å; Y925-L1074 PolarHBondContact N-O 3.31Å; Y925-L1074 PolarHBondContact O-N 2.87Å; L927-L1074 HydrophobicContact CD1-CD2 4.48Å; F953-L1074 HydrophobicContact CD1-CD2 4.34Å; F953-L1074 HydrophobicContact CE1-CD2 3.48Å; F953-L1074 VanDerWaalsContact CE1-CD2 3.48Å; F953-L1074 HydrophobicContact CE2-CD2 3.81Å; F953-L1074 HydrophobicContact CZ-CD2 3.17Å; L970-L1074 HydrophobicContact CD1-CD2 4.33Å; M974-L1074 HydrophobicContact CE-CD2 4.24Å; M974-L1074 HydrophobicContact SD-CD1 4.5Å; L1035-L1074 HydrophobicContact CD1-CD1 3.52Å; V1063-L1074 HydrophobicContact CB-CD1 4.2Å
1075	V	88.7	Confident	75.2	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.5	177.5	-177.8	0	0	0	0	108.7	V37 W40 V922 R923 A1061 Y1062 L1073	V37-V1075 HydrophobicContact CG1-CB 4.46Å; V37-V1075 HydrophobicContact CG1-CG2 4.01Å; V37-V1075 HydrophobicContact CG2-CB 4.09Å; V37-V1075 HydrophobicContact CG2-CG1 4.27Å; V37-V1075 HydrophobicContact CG2-CG2 4.15Å; W40-V1075 HydrophobicContact CZ3-CG1 4.3Å; W40-V1075 HydrophobicContact CZ3-CG2 4.49Å; V922-V1075 HydrophobicContact CG1-CG1 3.39Å; R923-V1075 WeakPolarHBondContact O-CA 3.39Å; A1061-V1075 CarbonylContact C-O 3.58Å; A1061-V1075 WeakPolarHBondContact CA-O 3.44Å; Y1062-V1075 PolarHBondContact N-O 2.82Å; Y1062-V1075 PolarHBondContact O-N 3.44Å; L1073-V1075 HydrophobicContact CD1-CG2 3.83Å; L1073-V1075 HydrophobicContact CD2-CG2 4.17Å; L1073-V1075 HydrophobicContact CG-CG2 3.85Å
1076	Y	84.4	Confident	73.6	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152.4	171.4	73.3	-95.4	0	0	0	112.9	R923 Y925 I966 E967 L970 L1059 H1060	R923-Y1076 HydrophobicContact CB-CD1 4.2Å; R923-Y1076 HydrophobicContact CB-CD2 4.34Å; R923-Y1076 HydrophobicContact CB-CE1 3.87Å; R923-Y1076 HydrophobicContact CB-CE2 3.99Å; R923-Y1076 HydrophobicContact CB-CG 4.44Å; R923-Y1076 VanDerWaalsContact CD-CE2 3.5Å; R923-Y1076 WeakPolarHBondContact CD-OH 3.26Å; R923-Y1076 HydrophobicContact CG-CE2 4.21Å; R923-Y1076 PolarHBondContact N-O 3.24Å; R923-Y1076 PolarHBondContact NH1-OH 2.91Å; R923-Y1076 PolarHBondContact O-N 3Å; Y925-Y1076 HydrophobicContact CD2-CE1 4.04Å; Y925-Y1076 AromaticContact CE2-CE1 3.61Å; Y925-Y1076 HydrophobicContact CE2-CE1 3.61Å; I966-Y1076 HydrophobicContact CG2-CD2 4.31Å; I966-Y1076 HydrophobicContact CG2-CE2 3.87Å; E967-Y1076 PolarHBondContact OE1-OH 2.91Å; L970-Y1076 HydrophobicContact CD1-CD1 3.46Å; L970-Y1076 VanDerWaalsContact CD1-CD1 3.46Å; L970-Y1076 HydrophobicContact CD1-CE1 3.86Å; L970-Y1076 HydrophobicContact CD1-CG 3.81Å; L1059-Y1076 HydrophobicContact CD1-CD2 3.81Å; L1059-Y1076 HydrophobicContact CD1-CG 4.43Å; H1060-Y1076 CarbonylContact O-C 3.57Å; H1060-Y1076 WeakPolarHBondContact O-CA 3.45Å; H1060-Y1076 WeakPolarHBondContact O-CB 3.46Å
1077	S	77	Confident	71.8	Confident	17 Å²	17	51.2 Å²	51.2	12%	0.119	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.7	176.5	-168.7	0	0	0	0	109.4	H1060	H1060-S1077 PolarHBondContact N-O 3.18Å; H1060-S1077 VanDerWaalsContact N-O 3.15Å; H1060-S1077 PolarHBondContact O-N 2.81Å
1078	S	66.6	Low	70.2	Confident	34 Å²	34	47.4 Å²	47.4	24%	0.238	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.9	171.5	59.1	0	0	0	0	109	G1080	S1078-G1080 PolarHBondContact O-N 3.29Å
1079	D	57.2	Low	68.5	Low	109 Å²	109	43.9 Å²	43.9	58%	0.583	24%	0.243	S	C	*	.			trans	-85.6	106.4	175.9	-79.7	-13.4	0	0	0	110.1
1080	G	51.3	Low	66.5	Low	52 Å²	52	50.9 Å²	50.9	54%	0.536	28%	0.276	S	S	.	.	S	Bend	trans	108.9	153.4	165.2	0	0	0	0	0	116.2	S1078 Q1082	S1078-G1080 PolarHBondContact O-N 3.29Å; G1080-Q1082 PolarHBondContact O-N 3Å
1081	N	48.5	Very low	64.7	Low	176 Å²	176	56.8 Å²	56.8	94%	0.941	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	15.3	179.3	-66.3	-0.3	0	0	0	115
1082	Q	51.7	Low	62.9	Low	134 Å²	134	57.4 Å²	57.4	63%	0.626	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-5.8	-171.7	-74.8	-167.5	-16.7	0	0	115.2	G1080 D1084	G1080-Q1082 PolarHBondContact O-N 3Å; Q1082-D1084 PolarHBondContact O-N 2.88Å
1083	C	54.9	Low	61.1	Low	29 Å²	29	59.6 Å²	59.6	20%	0.196	32%	0.317	C	S	.	.			trans	-84.4	68	168.5	-55.5	0	0	0	0	108.6	C1057 D1085	C1057-C1083 HydrophobicContact CB-CB 3.98Å; C1057-C1083 WeakPolarHBondContact CB-SG 3.17Å; C1057-C1083 WeakPolarHBondContact SG-CB 3.3Å; C1057-C1083 CovalentContact SG-SG 2.02Å; C1057-C1083 PolarHBondContact SG-SG 3.04Å; C1083-D1085 PolarHBondContact O-N 3.1Å
1084	D	53.3	Low	59.1	Low	70 Å²	70	62.4 Å²	62.4	37%	0.374	34%	0.341	S	S	.	.			trans	-74.7	109.3	175.6	-165.3	-9.9	0	0	0	108.9	Q1082 E1086 L1087	Q1082-D1084 PolarHBondContact O-N 2.88Å; D1084-E1086 PolarHBondContact O-N 3.11Å; D1084-E1086 WeakPolarHBondContact OD1-CB 3.47Å; D1084-E1086 PolarHBondContact OD1-N 3.17Å; D1084-L1087 HydrophobicContact CB-CD1 4.12Å; D1084-L1087 PolarHBondContact O-N 2.92Å; D1084-L1087 VanDerWaalsContact O-N 3.11Å
1085	D	55	Low	57.1	Low	4 Å²	4	70.5 Å²	70.5	2%	0.021	38%	0.378	C	S	.	.	H	α-helix	trans	-55.7	-23.8	179.3	-118.2	29	0	0	0	111.7	V962 N963 G964 A965 C1083 L1087 C1088 K1089	V962-D1085 VanDerWaalsContact CA-OD2 3.32Å; V962-D1085 WeakPolarHBondContact CA-OD2 3.18Å; V962-D1085 HydrophobicContact CB-CB 4.26Å; V962-D1085 HydrophobicContact CG1-CB 4.05Å; V962-D1085 WeakPolarHBondContact CG1-OD2 2.98Å; N963-D1085 PolarHBondContact N-OD2 3.21Å; G964-D1085 PolarHBondContact N-OD2 3.03Å; A965-D1085 PolarHBondContact N-OD2 3.29Å; A965-D1085 VanDerWaalsContact N-OD2 3.17Å; C1083-D1085 PolarHBondContact O-N 3.1Å; D1085-L1087 VanDerWaalsContact C-N 3.34Å; D1085-L1087 PolarHBondContact O-N 3.48Å; D1085-C1088 PolarHBondContact O-N 3.49Å; D1085-K1089 PolarHBondContact O-N 3.49Å; D1085-K1089 VanDerWaalsContact O-N 3.11Å
1086	E	53	Low	55.2	Low	108 Å²	108	71.6 Å²	71.6	51%	0.505	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-33.5	179	-160.4	163.7	-125.9	0	0	113.3	D1084 K1089	D1084-E1086 PolarHBondContact O-N 3.11Å; D1084-E1086 WeakPolarHBondContact OD1-CB 3.47Å; D1084-E1086 PolarHBondContact OD1-N 3.17Å; E1086-K1089 HydrophobicContact CG-CD 4.15Å; E1086-K1089 WeakPolarHBondContact O-CB 3.25Å; E1086-K1089 IonicContact OE1-NZ 3.18Å; E1086-K1089 PolarHBondContact OE1-NZ 2.97Å
1087	L	51.1	Low	53.6	Low	91 Å²	91	71.7 Å²	71.7	48%	0.476	39%	0.387	S	S	.	.	H	α-helix	trans	-79	-30.4	176.6	-86	120.7	0	0	0	113	I1055 D1084 D1085 K1089	I1055-L1087 HydrophobicContact CD1-CD1 3.71Å; I1055-L1087 HydrophobicContact CD1-CD2 3.75Å; I1055-L1087 HydrophobicContact CD1-CG 4.33Å; D1084-L1087 HydrophobicContact CB-CD1 4.12Å; D1084-L1087 PolarHBondContact O-N 2.92Å; D1084-L1087 VanDerWaalsContact O-N 3.11Å; D1085-L1087 VanDerWaalsContact C-N 3.34Å; D1085-L1087 PolarHBondContact O-N 3.48Å; L1087-K1089 VanDerWaalsContact C-N 3.31Å
1088	C	54.1	Low	52.1	Low	23 Å²	23	74.5 Å²	74.5	16%	0.155	41%	0.405	C	S	.	.	H	α-helix	trans	-79.1	-12.5	174.5	-67.3	0	0	0	0	113	A965 C1042 D1085 Q1090 Y1091 F1092	A965-C1088 HydrophobicContact CB-CB 3.86Å; C1042-C1088 HydrophobicContact CB-CB 4.19Å; C1042-C1088 WeakPolarHBondContact CB-SG 2.83Å; C1042-C1088 WeakPolarHBondContact SG-CB 3.33Å; C1042-C1088 CovalentContact SG-SG 2.06Å; C1042-C1088 PolarHBondContact SG-SG 3.2Å; D1085-C1088 PolarHBondContact O-N 3.49Å; C1088-Q1090 PolarHBondContact O-N 2.96Å; C1088-Y1091 PolarHBondContact O-N 3.47Å; C1088-Y1091 VanDerWaalsContact O-N 3.07Å; C1088-F1092 PolarHBondContact O-N 3Å
1089	K	52.2	Low	51.3	Low	62 Å²	62	73.8 Å²	73.8	27%	0.27	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.4	173	-82.3	173.3	-178.5	164.9	0	113.2	N963 D1085 E1086 L1087 Y1091 F1092 S1093	N963-K1089 HydrophobicContact CB-CD 4.48Å; N963-K1089 HydrophobicContact CB-CG 4.1Å; N963-K1089 WeakPolarHBondContact ND2-CE 3.46Å; D1085-K1089 PolarHBondContact O-N 3.49Å; D1085-K1089 VanDerWaalsContact O-N 3.11Å; E1086-K1089 HydrophobicContact CG-CD 4.15Å; E1086-K1089 WeakPolarHBondContact O-CB 3.25Å; E1086-K1089 IonicContact OE1-NZ 3.18Å; E1086-K1089 PolarHBondContact OE1-NZ 2.97Å; L1087-K1089 VanDerWaalsContact C-N 3.31Å; K1089-Y1091 VanDerWaalsContact C-N 3.34Å; K1089-F1092 CarbonylContact O-C 3.58Å; K1089-S1093 PolarHBondContact O-N 3.44Å
1090	Q	48.1	Very low	50.5	Low	148 Å²	148	69.5 Å²	69.5	69%	0.692	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-29.7	-179.8	-73.2	-172.6	-2.1	0	0	112.6	C1088	C1088-Q1090 PolarHBondContact O-N 2.96Å
1091	Y	51.2	Low	50.1	Low	123 Å²	123	71.2 Å²	71.2	48%	0.482	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-34.6	-179.3	-133.3	-96.4	0	0	0	112.1	S1043 C1088 K1089	S1043-Y1091 WeakPolarHBondContact O-CE2 2.91Å; C1088-Y1091 PolarHBondContact O-N 3.47Å; C1088-Y1091 VanDerWaalsContact O-N 3.07Å; K1089-Y1091 VanDerWaalsContact C-N 3.34Å
1092	F	53.6	Low	49.7	Very low	14 Å²	14	67.3 Å²	67.3	6%	0.061	35%	0.348	C	S	.	.	S	Bend	trans	-122.2	65.8	-179	-59.1	-74.9	0	0	0	112.4	R968 F969 C1088 K1089 S1096	R968-F1092 HydrophobicContact CB-CB 4.46Å; R968-F1092 PolarHBondContact NH1-O 3.1Å; F969-F1092 HydrophobicContact CB-CD2 4.41Å; F969-F1092 HydrophobicContact CB-CE1 4.5Å; F969-F1092 HydrophobicContact CB-CE2 4.15Å; F969-F1092 HydrophobicContact CB-CZ 4.22Å; F969-F1092 HydrophobicContact CD2-CE1 4.15Å; F969-F1092 AromaticContact CD2-CE2 3.92Å; F969-F1092 HydrophobicContact CD2-CE2 3.92Å; F969-F1092 AromaticContact CD2-CZ 3.49Å; F969-F1092 HydrophobicContact CD2-CZ 3.49Å; F969-F1092 VanDerWaalsContact CD2-CZ 3.49Å; F969-F1092 HydrophobicContact CE2-CZ 4.33Å; F969-F1092 HydrophobicContact CG-CE2 4.4Å; F969-F1092 HydrophobicContact CG-CZ 4.29Å; C1088-F1092 PolarHBondContact O-N 3Å; K1089-F1092 CarbonylContact O-C 3.58Å; F1092-S1096 WeakPolarHBondContact CA-OG 3.06Å
1093	S	50.6	Low	49	Very low	50 Å²	50	64.8 Å²	64.8	35%	0.35	34%	0.338	S	S	.	.			trans	-62.2	163.1	172.9	77.6	0	0	0	0	110.8	K1089 H1095 S1096	K1089-S1093 PolarHBondContact O-N 3.44Å; S1093-H1095 PolarHBondContact O-N 2.9Å; S1093-H1095 PolarHBondContact OG-N 3.45Å; S1093-S1096 PolarHBondContact N-OG 3.45Å; S1093-S1096 WeakPolarHBondContact O-CB 3.34Å; S1093-S1096 PolarHBondContact O-N 3.3Å; S1093-S1096 PolarHBondContact O-OG 2.95Å; S1093-S1096 PolarHBondContact OG-N 3.38Å
1094	A	49.3	Very low	48.3	Very low	61 Å²	61	65.8 Å²	65.8	50%	0.504	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-13.9	174.2	0	0	0	0	0	113.2
1095	H	48.5	Very low	47.5	Very low	169 Å²	169	71 Å²	71	78%	0.782	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-11.8	177.3	-55.6	74.6	0	0	0	113.4	S1093 V1097	S1093-H1095 PolarHBondContact O-N 2.9Å; S1093-H1095 PolarHBondContact OG-N 3.45Å; H1095-V1097 VanDerWaalsContact C-N 3.33Å
1096	S	48.2	Very low	46.6	Very low	27 Å²	27	75.5 Å²	75.5	19%	0.189	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-17.9	-177.7	70.6	0	0	0	0	113.8	F1092 S1093 P1098	F1092-S1096 WeakPolarHBondContact CA-OG 3.06Å; S1093-S1096 PolarHBondContact N-OG 3.45Å; S1093-S1096 WeakPolarHBondContact O-CB 3.34Å; S1093-S1096 PolarHBondContact O-N 3.3Å; S1093-S1096 PolarHBondContact O-OG 2.95Å; S1093-S1096 PolarHBondContact OG-N 3.38Å; S1096-P1098 WeakPolarHBondContact O-CD 3.37Å
1097	V	50.1	Low	45.8	Very low	4 Å²	4	71.5 Å²	71.5	2%	0.024	37%	0.368	C	S	.	.	S	Bend	trans	-102.5	108.2	171.6	179.7	0	0	0	0	103.1	R968 H1095 W1099	R968-V1097 HydrophobicContact CB-CG2 3.43Å; R968-V1097 VanDerWaalsContact CB-CG2 3.43Å; R968-V1097 HydrophobicContact CG-CB 4.37Å; R968-V1097 HydrophobicContact CG-CG2 3.57Å; H1095-V1097 VanDerWaalsContact C-N 3.33Å; V1097-W1099 HydrophobicContact CG1-CB 3.87Å; V1097-W1099 VanDerWaalsContact CG1-CD1 3.47Å; V1097-W1099 HydrophobicContact CG1-CG 4.03Å; V1097-W1099 PolarHBondContact O-N 3.13Å
1098	P	46.7	Very low	45.1	Very low	77 Å²	77	68.9 Å²	68.9	50%	0.5	36%	0.357	S	S	.	.			trans	-58.9	23.4	-178.4	-15.7	15.9	0	0	0	116.8	S1096	S1096-P1098 WeakPolarHBondContact O-CD 3.37Å
1099	W	49.1	Very low	44.1	Very low	18 Å²	18	70.7 Å²	70.7	7%	0.068	37%	0.365	C	S	.	.			trans	-142.7	123.9	-148.4	-46.9	105.3	0	0	0	114.4	F952 V975 P1002 Y1023 V1097	F952-W1099 HydrophobicContact CE1-CB 3.98Å; F952-W1099 HydrophobicContact CZ-CB 4.37Å; V975-W1099 HydrophobicContact CG1-CZ2 4.3Å; P1002-W1099 HydrophobicContact CB-CH2 2.74Å; P1002-W1099 HydrophobicContact CB-CZ2 3.11Å; P1002-W1099 HydrophobicContact CB-CZ3 3.71Å; P1002-W1099 HydrophobicContact CG-CH2 3.31Å; P1002-W1099 HydrophobicContact CG-CZ2 3.2Å; P1002-W1099 HydrophobicContact CG-CZ3 4.18Å; Y1023-W1099 AromaticContact CD1-CH2 3.69Å; Y1023-W1099 HydrophobicContact CD1-CH2 3.69Å; Y1023-W1099 HydrophobicContact CD1-CZ2 4.4Å; Y1023-W1099 HydrophobicContact CD1-CZ3 4.11Å; Y1023-W1099 HydrophobicContact CD2-CE3 4.25Å; Y1023-W1099 HydrophobicContact CD2-CH2 4.36Å; Y1023-W1099 HydrophobicContact CD2-CZ3 4.02Å; Y1023-W1099 HydrophobicContact CE1-CD2 4.22Å; Y1023-W1099 AromaticContact CE1-CE2 3.9Å; Y1023-W1099 HydrophobicContact CE1-CE3 4.13Å; Y1023-W1099 AromaticContact CE1-CH2 2.87Å; Y1023-W1099 HydrophobicContact CE1-CH2 2.87Å; Y1023-W1099 AromaticContact CE1-CZ2 3.23Å; Y1023-W1099 HydrophobicContact CE1-CZ2 3.23Å; Y1023-W1099 AromaticContact CE1-CZ3 3.51Å; Y1023-W1099 HydrophobicContact CE1-CZ3 3.51Å; Y1023-W1099 HydrophobicContact CE2-CB 4.28Å; Y1023-W1099 AromaticContact CE2-CD2 3.61Å; Y1023-W1099 HydrophobicContact CE2-CD2 3.61Å; Y1023-W1099 AromaticContact CE2-CE3 3.35Å; Y1023-W1099 HydrophobicContact CE2-CE3 3.35Å; Y1023-W1099 AromaticContact CE2-CG 3.95Å; Y1023-W1099 HydrophobicContact CE2-CG 3.95Å; Y1023-W1099 AromaticContact CE2-CH2 3.7Å; Y1023-W1099 HydrophobicContact CE2-CH2 3.7Å; Y1023-W1099 HydrophobicContact CE2-CZ2 4.17Å; Y1023-W1099 AromaticContact CE2-CZ3 3.42Å; Y1023-W1099 HydrophobicContact CE2-CZ3 3.42Å; Y1023-W1099 VanDerWaalsContact CE2-CZ3 3.42Å; Y1023-W1099 HydrophobicContact CG-CH2 4.4Å; Y1023-W1099 HydrophobicContact CG-CZ3 4.38Å; Y1023-W1099 AromaticContact CZ-CD2 3.3Å; Y1023-W1099 AromaticContact CZ-CE2 3.3Å; Y1023-W1099 AromaticContact CZ-CE3 3.37Å; Y1023-W1099 AromaticContact CZ-CG 3.81Å; Y1023-W1099 AromaticContact CZ-CH2 2.97Å; Y1023-W1099 AromaticContact CZ-CZ2 3.16Å; Y1023-W1099 AromaticContact CZ-CZ3 3.23Å; Y1023-W1099 AromaticContact CZ-NE1 3.89Å; Y1023-W1099 WeakPolarHBondContact OH-CH2 3.26Å; Y1023-W1099 WeakPolarHBondContact OH-CZ2 3.49Å; Y1023-W1099 PolarHBondContact OH-NE1 2.9Å; V1097-W1099 HydrophobicContact CG1-CB 3.87Å; V1097-W1099 VanDerWaalsContact CG1-CD1 3.47Å; V1097-W1099 HydrophobicContact CG1-CG 4.03Å; V1097-W1099 PolarHBondContact O-N 3.13Å
1100	G	40.7	Very low	43.4	Very low	19 Å²	19	77 Å²	77	20%	0.196	39%	0.393	C	S	.	.	S	Bend	trans	154.7	164.3	179.4	0	0	0	0	0	108.5	H1102	G1100-H1102 PolarHBondContact O-CD2 3.42Å; G1100-H1102 PolarHBondContact O-N 2.79Å
1101	F	41.6	Very low	42.8	Very low	89 Å²	89	72.7 Å²	72.7	39%	0.39	38%	0.376	S	S	.	.			trans	-64.5	104.4	163	-68.7	-84.5	0	0	0	107.6	L632 R633 Y932 S1020	L632-F1101 HydrophobicContact CB-CE1 4.08Å; L632-F1101 WeakPolarHBondContact O-CE1 3.33Å; L632-F1101 WeakPolarHBondContact O-CZ 3.5Å; R633-F1101 HydrophobicContact CB-CZ 4.35Å; R633-F1101 HydrophobicContact CG-CE2 3.87Å; R633-F1101 HydrophobicContact CG-CZ 3.72Å; Y932-F1101 WeakPolarHBondContact OH-CE2 3.47Å; S1020-F1101 WeakPolarHBondContact OG-CD1 3.48Å
1102	H	40.2	Very low	42	Very low	94 Å²	94	68.9 Å²	68.9	44%	0.435	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.2	165.5	-66.8	-68.9	0	0	0	106.7	G1100 V1104	G1100-H1102 PolarHBondContact O-CD2 3.42Å; G1100-H1102 PolarHBondContact O-N 2.79Å; H1102-V1104 HydrophobicContact CB-CG2 4.37Å; H1102-V1104 PolarHBondContact O-N 3.07Å
1103	L	38.1	Very low	40.9	Very low	80 Å²	80	73.2 Å²	73.2	42%	0.419	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	102	153.7	-109.8	145.4	0	0	0	105.4	C1016 K1018 Y1105	C1016-L1103 HydrophobicContact CB-CD2 3.58Å; K1018-L1103 HydrophobicContact CG-CD2 4.5Å; K1018-L1103 HydrophobicContact CG-CG 4.21Å; L1103-Y1105 PolarHBondContact O-N 3.37Å; L1103-Y1105 VanDerWaalsContact O-N 3.16Å
1104	V	38.7	Very low	40.2	Very low	50 Å²	50	76.9 Å²	76.9	30%	0.303	41%	0.407	S	S	.	.			trans	-82.8	97.9	173.1	-174.5	0	0	0	0	104.2	A1019 H1102 N1106 A1107	A1019-V1104 HydrophobicContact CB-CG2 3.66Å; H1102-V1104 HydrophobicContact CB-CG2 4.37Å; H1102-V1104 PolarHBondContact O-N 3.07Å; V1104-N1106 PolarHBondContact O-N 2.98Å; V1104-A1107 HydrophobicContact CB-CB 3.48Å; V1104-A1107 VanDerWaalsContact CB-CB 3.48Å; V1104-A1107 VanDerWaalsContact CG1-CA 3.46Å; V1104-A1107 HydrophobicContact CG1-CB 3.75Å; V1104-A1107 HydrophobicContact CG2-CB 4.25Å; V1104-A1107 PolarHBondContact O-N 2.99Å
1105	Y	36.7	Very low	39.7	Very low	181 Å²	181	78.3 Å²	78.3	71%	0.71	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	115.6	162.2	-63.4	-76.4	0	0	0	106	L1103	L1103-Y1105 PolarHBondContact O-N 3.37Å; L1103-Y1105 VanDerWaalsContact O-N 3.16Å
1106	N	36.5	Very low	39.4	Very low	97 Å²	97	74.6 Å²	74.6	52%	0.519	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	50.6	-165.4	-53.8	-13.2	0	0	0	116.8	V1104 S1108 D1109	V1104-N1106 PolarHBondContact O-N 2.98Å; N1106-S1108 PolarHBondContact O-N 3.4Å; N1106-D1109 HydrophobicContact CB-CB 4.04Å; N1106-D1109 VanDerWaalsContact CB-OD1 3.32Å; N1106-D1109 WeakPolarHBondContact CB-OD1 3.38Å; N1106-D1109 WeakPolarHBondContact CB-OD2 3.08Å; N1106-D1109 PolarHBondContact ND2-OD2 2.92Å; N1106-D1109 WeakPolarHBondContact O-CB 3.4Å; N1106-D1109 PolarHBondContact O-N 3.41Å
1107	A	35.6	Very low	39.4	Very low	24 Å²	24	75.7 Å²	75.7	20%	0.198	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-60.8	-15.3	165.6	0	0	0	0	0	113	D1017 V1104 D1109	D1017-A1107 HydrophobicContact CB-CB 3.36Å; V1104-A1107 HydrophobicContact CB-CB 3.48Å; V1104-A1107 VanDerWaalsContact CB-CB 3.48Å; V1104-A1107 VanDerWaalsContact CG1-CA 3.46Å; V1104-A1107 HydrophobicContact CG1-CB 3.75Å; V1104-A1107 HydrophobicContact CG2-CB 4.25Å; V1104-A1107 PolarHBondContact O-N 2.99Å; A1107-D1109 PolarHBondContact O-N 3.11Å
1108	S	37.8	Very low	39.2	Very low	37 Å²	37	80.4 Å²	80.4	26%	0.259	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-54.1	-24.3	162.2	45.5	0	0	0	0	113.7	N1106 K1110 V1111 I1112	N1106-S1108 PolarHBondContact O-N 3.4Å; S1108-K1110 PolarHBondContact O-N 3.33Å; S1108-V1111 CarbonylContact O-C 3.55Å; S1108-V1111 PolarHBondContact O-N 3.49Å; S1108-V1111 VanDerWaalsContact O-N 3.14Å; S1108-I1112 WeakPolarHBondContact O-CB 2.94Å; S1108-I1112 WeakPolarHBondContact O-CG1 2.99Å; S1108-I1112 PolarHBondContact O-N 3.07Å
1109	D	33.6	Very low	39.3	Very low	60 Å²	60	78.1 Å²	78.1	32%	0.321	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-79.4	-10.4	-169.8	-70.4	4.4	0	0	0	115	N1106 A1107 V1111	N1106-D1109 HydrophobicContact CB-CB 4.04Å; N1106-D1109 VanDerWaalsContact CB-OD1 3.32Å; N1106-D1109 WeakPolarHBondContact CB-OD1 3.38Å; N1106-D1109 WeakPolarHBondContact CB-OD2 3.08Å; N1106-D1109 PolarHBondContact ND2-OD2 2.92Å; N1106-D1109 WeakPolarHBondContact O-CB 3.4Å; N1106-D1109 PolarHBondContact O-N 3.41Å; A1107-D1109 PolarHBondContact O-N 3.11Å; D1109-V1111 PolarHBondContact O-N 3.35Å
1110	K	35.8	Very low	39.3	Very low	195 Å²	195	80.7 Å²	80.7	85%	0.848	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-71.4	-7.3	165.9	-73.3	-166	177.1	-175.1	0	112.8	S1108	S1108-K1110 PolarHBondContact O-N 3.33Å
1111	V	36.7	Very low	40.1	Very low	57 Å²	57	84.2 Å²	84.2	35%	0.345	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-14	169.7	-177.2	0	0	0	0	112.4	S1108 D1109 N1116 M1118	S1108-V1111 CarbonylContact O-C 3.55Å; S1108-V1111 PolarHBondContact O-N 3.49Å; S1108-V1111 VanDerWaalsContact O-N 3.14Å; D1109-V1111 PolarHBondContact O-N 3.35Å; V1111-N1116 VanDerWaalsContact O-O 3.05Å; V1111-M1118 HydrophobicContact CG1-CB 3.43Å; V1111-M1118 VanDerWaalsContact CG1-CB 3.43Å; V1111-M1118 HydrophobicContact CG1-CG 4.31Å; V1111-M1118 HydrophobicContact CG1-SD 4.13Å
1112	I	32.9	Very low	41.3	Very low	44 Å²	44	83.5 Å²	83.5	23%	0.226	45%	0.446	C	S	.	.			trans	-131.5	71.8	-175.3	-50	-171	0	0	0	110.8	S1108	S1108-I1112 WeakPolarHBondContact O-CB 2.94Å; S1108-I1112 WeakPolarHBondContact O-CG1 2.99Å; S1108-I1112 PolarHBondContact O-N 3.07Å
1113	H	31.9	Very low	42.8	Very low	105 Å²	105	83.5 Å²	83.5	49%	0.486	44%	0.443	S	S	.	.			trans	-69.4	141.1	146	-132.2	-84.9	0	0	0	106.3	S1115 N1116	H1113-S1115 WeakPolarHBondContact CB-OG 3.3Å; H1113-S1115 PolarHBondContact ND1-OG 3.16Å; H1113-S1115 PolarHBondContact O-N 2.63Å; H1113-N1116 HydrophobicContact CB-CB 4.06Å; H1113-N1116 CarbonylContact O-C 3.59Å; H1113-N1116 WeakPolarHBondContact O-CA 3.29Å; H1113-N1116 PolarHBondContact O-N 3.14Å
1114	P	36.1	Very low	44.6	Very low	126 Å²	126	80.7 Å²	80.7	82%	0.818	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.8	173.5	14.7	-25.7	0	0	0	113.4
1115	S	39	Very low	46.3	Very low	91 Å²	91	82.6 Å²	82.6	64%	0.636	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-22.4	169.4	47.6	0	0	0	0	115.2	H1113	H1113-S1115 WeakPolarHBondContact CB-OG 3.3Å; H1113-S1115 PolarHBondContact ND1-OG 3.16Å; H1113-S1115 PolarHBondContact O-N 2.63Å
1116	N	42	Very low	48	Very low	92 Å²	92	75.8 Å²	75.8	49%	0.492	41%	0.408	S	S	.	.			trans	-109.3	79.3	-179.6	-74.7	-5.3	0	0	0	109.6	V1111 H1113 M1118	V1111-N1116 VanDerWaalsContact O-O 3.05Å; H1113-N1116 HydrophobicContact CB-CB 4.06Å; H1113-N1116 CarbonylContact O-C 3.59Å; H1113-N1116 WeakPolarHBondContact O-CA 3.29Å; H1113-N1116 PolarHBondContact O-N 3.14Å; N1116-M1118 PolarHBondContact O-N 3.33Å
1117	C	47.7	Very low	49.5	Very low	49 Å²	49	73 Å²	73	33%	0.331	40%	0.395	S	S	.	.			trans	-76	72.7	175.8	-162.7	0	0	0	0	111.4	C328 L1119	C328-C1117 HydrophobicContact CB-CB 2.95Å; C328-C1117 WeakPolarHBondContact CB-SG 3.43Å; C328-C1117 WeakPolarHBondContact SG-CB 3.2Å; C328-C1117 CovalentContact SG-SG 2Å; C328-C1117 PolarHBondContact SG-SG 3.06Å; C1117-L1119 PolarHBondContact O-N 2.93Å; C1117-L1119 WeakPolarHBondContact SG-CD1 3.41Å
1118	M	45.1	Very low	50.6	Low	104 Å²	104	76.2 Å²	76.2	51%	0.512	42%	0.416	S	S	.	.			trans	-77.3	79.4	170	-73.6	-167.2	-178.9	0	0	108.9	V1111 N1116 T1120	V1111-M1118 HydrophobicContact CG1-CB 3.43Å; V1111-M1118 VanDerWaalsContact CG1-CB 3.43Å; V1111-M1118 HydrophobicContact CG1-CG 4.31Å; V1111-M1118 HydrophobicContact CG1-SD 4.13Å; N1116-M1118 PolarHBondContact O-N 3.33Å; M1118-T1120 VanDerWaalsContact C-N 3.35Å; M1118-T1120 PolarHBondContact O-N 3.18Å
1119	L	48.9	Very low	51.8	Low	29 Å²	29	75.7 Å²	75.7	15%	0.152	41%	0.411	C	S	.	.			trans	-69.6	93.8	166	-80.4	148.4	0	0	0	108.5	C328 F329 C1117 S1121	C328-L1119 HydrophobicContact CB-CD1 4.3Å; C328-L1119 WeakPolarHBondContact O-CD1 3.4Å; F329-L1119 HydrophobicContact CD1-CD1 3.53Å; F329-L1119 HydrophobicContact CD1-CD2 4.35Å; F329-L1119 HydrophobicContact CD1-CG 4.49Å; F329-L1119 HydrophobicContact CE1-CD1 3.56Å; F329-L1119 HydrophobicContact CE1-CD2 3.63Å; F329-L1119 HydrophobicContact CE1-CG 4.05Å; F329-L1119 HydrophobicContact CZ-CD2 4.31Å; C1117-L1119 PolarHBondContact O-N 2.93Å; C1117-L1119 WeakPolarHBondContact SG-CD1 3.41Å; L1119-S1121 PolarHBondContact O-N 2.98Å; L1119-S1121 VanDerWaalsContact O-N 3.14Å
1120	T	49	Very low	53.4	Low	71 Å²	71	75.7 Å²	75.7	44%	0.436	42%	0.415	S	S	.	.			trans	-77.8	90.8	166.4	58.4	0	0	0	0	107.7	M1118 R1122	M1118-T1120 VanDerWaalsContact C-N 3.35Å; M1118-T1120 PolarHBondContact O-N 3.18Å; T1120-R1122 PolarHBondContact O-N 3.38Å
1121	S	57.5	Low	54.6	Low	93 Å²	93	67 Å²	67	65%	0.65	38%	0.377	S	S	*	.			trans	-72.4	108.9	162.3	55.6	0	0	0	0	107.1	L1119	L1119-S1121 PolarHBondContact O-N 2.98Å; L1119-S1121 VanDerWaalsContact O-N 3.14Å
1122	R	68.1	Low	55.7	Low	74 Å²	74	66.9 Å²	66.9	28%	0.279	38%	0.376	S	S	.	.			trans	-80.7	151.6	171.8	-59	-174	-179.8	134.2	-0.8	109.2	D557 E560 R602 T1120	D557-R1122 IonicContact OD1-NH1 3.85Å; D557-R1122 VanDerWaalsContact OD2-CD 3.23Å; D557-R1122 WeakPolarHBondContact OD2-CD 3.43Å; D557-R1122 IonicContact OD2-CZ 2.78Å; D557-R1122 IonicContact OD2-NE 3.88Å; D557-R1122 IonicContact OD2-NH1 3.34Å; D557-R1122 PolarHBondContact OD2-NH1 3.21Å; E560-R1122 IonicContact OE1-CZ 2.93Å; E560-R1122 IonicContact OE1-NH1 3.03Å; E560-R1122 PolarHBondContact OE1-NH1 3.38Å; E560-R1122 IonicContact OE1-NH2 3.84Å; E560-R1122 PolarHBondContact OE1-NH2 3.44Å; R602-R1122 VanDerWaalsContact CZ-CB 3.43Å; T1120-R1122 PolarHBondContact O-N 3.38Å
1123	Y	71.4	Confident	56.7	Low	94 Å²	94	65.6 Å²	65.6	37%	0.369	37%	0.371	S	S	.	.			trans	-61.9	147.5	178.3	179	-94.3	0	0	0	111.9	D598 R602 R603 D607	D598-Y1123 WeakPolarHBondContact OD2-CB 3.35Å; D598-Y1123 PolarHBondContact OD2-N 3.11Å; R602-Y1123 PolarHBondContact NH1-O 3.36Å; R603-Y1123 HydrophobicContact CB-CD1 4.17Å; R603-Y1123 HydrophobicContact CG-CD1 3.98Å; R603-Y1123 HydrophobicContact CG-CG 4.12Å; D607-Y1123 VanDerWaalsContact OD1-CE1 3.27Å; D607-Y1123 WeakPolarHBondContact OD1-CE1 3.4Å; D607-Y1123 PolarHBondContact OD1-OH 2.87Å
1124	R	74.6	Confident	57.5	Low	22 Å²	22	67.5 Å²	67.5	8%	0.083	38%	0.38	C	S	.	.			trans	-146.3	158.6	175.6	65.6	170.8	-158.8	136.4	9.8	110.2	N310 N532 S1126	N310-R1124 PolarHBondContact O-NH1 2.99Å; N310-R1124 VanDerWaalsContact O-NH1 3.16Å; N532-R1124 WeakPolarHBondContact OD1-CD 3.28Å; R1124-S1126 PolarHBondContact NH2-OG 3.39Å
1125	R	75.9	Confident	58.1	Low	90 Å²	90	65.3 Å²	65.3	34%	0.34	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-96.2	120.2	168.8	177.6	173.9	172.5	-165.9	-5.3	109.6	N531 A606 D607	N531-R1125 HydrophobicContact CB-CB 4.18Å; N531-R1125 WeakPolarHBondContact CB-O 3.49Å; N531-R1125 PolarHBondContact ND2-O 3.39Å; N531-R1125 PolarHBondContact O-N 3.04Å; A606-R1125 WeakPolarHBondContact O-CB 3.34Å; D607-R1125 PolarHBondContact O-NH1 2.61Å
1126	S	71.4	Confident	58.5	Low	38 Å²	38	61.9 Å²	61.9	27%	0.266	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-64.8	144.8	172.5	-66	0	0	0	0	110.8	R1124 S1128	R1124-S1126 PolarHBondContact NH2-OG 3.39Å; S1126-S1128 PolarHBondContact O-N 3.13Å
1127	P	69.3	Low	58.6	Low	38 Å²	38	60.9 Å²	60.9	25%	0.247	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-52.4	132.5	169.8	-25.1	34.2	0	0	0	110.7	L651 V1129	L651-P1127 HydrophobicContact CD1-CB 4.16Å; L651-P1127 HydrophobicContact CD1-CG 4.28Å; P1127-V1129 PolarHBondContact O-N 3.48Å
1128	S	58.2	Low	58.3	Low	92 Å²	92	66.8 Å²	66.8	64%	0.643	36%	0.355	S	S	*	.	S	Bend	trans	-71.3	-13.3	-173.2	49.7	0	0	0	0	114.4	S1126	S1126-S1128 PolarHBondContact O-N 3.13Å
1129	V	62.3	Low	58.1	Low	26 Å²	26	65.3 Å²	65.3	16%	0.158	35%	0.35	C	S	.	.			trans	-104.5	115	-172.1	-168.1	0	0	0	0	109	E469 P1127 Y1131	E469-V1129 HydrophobicContact CB-CG1 4.32Å; E469-V1129 HydrophobicContact CB-CG2 4.13Å; E469-V1129 HydrophobicContact CG-CG2 4.42Å; E469-V1129 WeakPolarHBondContact OE2-CG2 3.32Å; P1127-V1129 PolarHBondContact O-N 3.48Å; V1129-Y1131 HydrophobicContact CG1-CD2 4.25Å; V1129-Y1131 HydrophobicContact CG1-CE1 3.85Å; V1129-Y1131 HydrophobicContact CG1-CE2 3.56Å; V1129-Y1131 WeakPolarHBondContact CG1-OH 3.38Å
1130	C	66.8	Low	58	Low	59 Å²	59	67.9 Å²	67.9	40%	0.399	36%	0.361	S	S	.	.			trans	-135.4	112.9	174	173.3	0	0	0	0	109	C382 T1132	C382-C1130 WeakPolarHBondContact CA-SG 3.48Å; C382-C1130 HydrophobicContact CB-CB 3.62Å; C382-C1130 WeakPolarHBondContact CB-SG 3.37Å; C382-C1130 VanDerWaalsContact SG-C 3.55Å; C382-C1130 WeakPolarHBondContact SG-CA 3.25Å; C382-C1130 WeakPolarHBondContact SG-CB 3.27Å; C382-C1130 CovalentContact SG-SG 2.01Å; C382-C1130 PolarHBondContact SG-SG 3.32Å; C1130-T1132 WeakPolarHBondContact SG-CG2 3.01Å
1131	Y	62.1	Low	57.6	Low	13 Å²	13	73.6 Å²	73.6	5%	0.051	38%	0.375	C	S	.	.			trans	-95.6	102.3	174.3	-56.1	-59.1	0	0	0	108.9	H274 H383 V462 E469 V1129	H274-Y1131 AromaticContact CD2-CD2 3.85Å; H274-Y1131 AromaticContact CE1-CE2 3.88Å; H274-Y1131 AromaticContact NE2-CD2 3.22Å; H274-Y1131 WeakPolarHBondContact NE2-CD2 3.5Å; H274-Y1131 AromaticContact NE2-CE2 3.43Å; H274-Y1131 WeakPolarHBondContact NE2-CE2 3.35Å; H383-Y1131 PolarHBondContact NE2-O 2.74Å; V462-Y1131 HydrophobicContact CG1-CD2 4.44Å; V462-Y1131 HydrophobicContact CG2-CD2 4.47Å; E469-Y1131 PolarHBondContact N-OH 2.9Å; V1129-Y1131 HydrophobicContact CG1-CD2 4.25Å; V1129-Y1131 HydrophobicContact CG1-CE1 3.85Å; V1129-Y1131 HydrophobicContact CG1-CE2 3.56Å; V1129-Y1131 WeakPolarHBondContact CG1-OH 3.38Å
1132	T	59.5	Low	57	Low	54 Å²	54	74 Å²	74	33%	0.331	37%	0.368	S	S	.	.			trans	-89.6	163.9	-178.9	60.8	0	0	0	0	111.9	C1130 E1134 D1135	C1130-T1132 WeakPolarHBondContact SG-CG2 3.01Å; T1132-E1134 PolarHBondContact O-N 2.98Å; T1132-D1135 PolarHBondContact O-N 2.84Å
1133	V	53.5	Low	55.8	Low	17 Å²	17	76.2 Å²	76.2	10%	0.103	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-61.8	-14.2	-178.3	-178	0	0	0	0	113.2	P461 D1135 D1136	P461-V1133 HydrophobicContact CG-CG2 4.5Å; V1133-D1135 PolarHBondContact O-N 2.99Å; V1133-D1135 VanDerWaalsContact O-N 3.16Å; V1133-D1136 PolarHBondContact O-N 2.86Å; V1133-D1136 VanDerWaalsContact O-N 3.07Å
1134	E	49.7	Very low	54.3	Low	146 Å²	146	80 Å²	80	68%	0.682	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-62.2	-20.8	177.7	-74.2	-179.2	173.1	0	0	113	T1132	T1132-E1134 PolarHBondContact O-N 2.98Å
1135	D	48.5	Very low	52.6	Low	79 Å²	79	83.9 Å²	83.9	42%	0.422	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-80.9	-24.6	174	-66.6	-45.8	0	0	0	114.2	R465 T1132 V1133 V1137	R465-D1135 IonicContact CZ-OD2 3.14Å; R465-D1135 IonicContact NE-OD2 3.84Å; R465-D1135 PolarHBondContact NE-OD2 3.48Å; R465-D1135 VanDerWaalsContact NE-OD2 3.11Å; R465-D1135 IonicContact NH2-OD1 3.14Å; R465-D1135 PolarHBondContact NH2-OD1 3.2Å; R465-D1135 VanDerWaalsContact NH2-OD1 3.14Å; R465-D1135 IonicContact NH2-OD2 2.63Å; R465-D1135 PolarHBondContact NH2-OD2 2.86Å; T1132-D1135 PolarHBondContact O-N 2.84Å; V1133-D1135 PolarHBondContact O-N 2.99Å; V1133-D1135 VanDerWaalsContact O-N 3.16Å; D1135-V1137 PolarHBondContact O-N 3.21Å
1136	D	47.1	Very low	50.9	Low	20 Å²	20	84.2 Å²	84.2	11%	0.107	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.8	-175.5	-95.1	-26	0	0	0	113.2	V1133 Q1138 N1139 E1140	V1133-D1136 PolarHBondContact O-N 2.86Å; V1133-D1136 VanDerWaalsContact O-N 3.07Å; D1136-Q1138 PolarHBondContact O-N 3.28Å; D1136-Q1138 VanDerWaalsContact O-N 3.15Å; D1136-N1139 PolarHBondContact O-N 3.23Å; D1136-N1139 VanDerWaalsContact O-N 3.17Å; D1136-E1140 PolarHBondContact O-N 3.17Å
1137	V	45.1	Very low	49.7	Very low	71 Å²	71	85.9 Å²	85.9	43%	0.43	44%	0.441	S	S	.	.	H	α-helix	trans	-67.4	-19.6	-169.7	-177.5	0	0	0	0	113	D1135	D1135-V1137 PolarHBondContact O-N 3.21Å
1138	Q	41.4	Very low	48.4	Very low	172 Å²	172	90.1 Å²	90.1	80%	0.804	46%	0.458	S	S	*	.	H	α-helix	trans	-79.9	-32.1	174.5	-75.4	-157.2	-15.8	0	0	114	D1136	D1136-Q1138 PolarHBondContact O-N 3.28Å; D1136-Q1138 VanDerWaalsContact O-N 3.15Å
1139	N	40.5	Very low	47.6	Very low	73 Å²	73	91.9 Å²	91.9	39%	0.39	46%	0.459	S	S	.	.	H	α-helix	trans	-89.5	-37.2	-176.5	-90.4	3.9	0	0	0	113.3	D1136 R1141 I1142 H1143	D1136-N1139 PolarHBondContact O-N 3.23Å; D1136-N1139 VanDerWaalsContact O-N 3.17Å; N1139-R1141 VanDerWaalsContact C-N 3.29Å; N1139-R1141 PolarHBondContact O-N 3.23Å; N1139-I1142 PolarHBondContact O-N 3.34Å; N1139-H1143 PolarHBondContact O-N 3.41Å
1140	E	45.4	Very low	46.5	Very low	83 Å²	83	95.2 Å²	95.2	39%	0.388	48%	0.479	S	S	.	.	H	α-helix	trans	-68.1	-26.9	179.2	-79.6	-165.3	156.2	0	0	113.1	R435 D1136 I1142 H1143 W1144	R435-E1140 IonicContact CZ-OE2 3.9Å; R435-E1140 IonicContact NH1-OE2 3.93Å; R435-E1140 IonicContact NH2-OE2 4Å; D1136-E1140 PolarHBondContact O-N 3.17Å; E1140-I1142 PolarHBondContact O-N 3.15Å; E1140-H1143 PolarHBondContact O-N 3.48Å; E1140-W1144 WeakPolarHBondContact O-CB 3.3Å; E1140-W1144 PolarHBondContact O-N 3.33Å
1141	R	41.6	Very low	44.8	Very low	192 Å²	192	97 Å²	97	73%	0.725	49%	0.491	S	S	*	.	H	α-helix	trans	-59.8	-34.8	175.3	-116.4	-179.8	-174.8	-172.7	2.5	112	N1139 L1145	N1139-R1141 VanDerWaalsContact C-N 3.29Å; N1139-R1141 PolarHBondContact O-N 3.23Å; R1141-L1145 VanDerWaalsContact O-CB 3.31Å; R1141-L1145 WeakPolarHBondContact O-CB 3.45Å; R1141-L1145 WeakPolarHBondContact O-CD1 3.38Å; R1141-L1145 WeakPolarHBondContact O-CG 3.24Å; R1141-L1145 PolarHBondContact O-N 3.48Å; R1141-L1145 VanDerWaalsContact O-N 3.15Å
1142	I	45.4	Very low	43.2	Very low	100 Å²	100	104 Å²	104	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-74.8	-41.2	178.4	-61.9	173.9	0	0	0	110.1	N1139 E1140 L1145 L1146	N1139-I1142 PolarHBondContact O-N 3.34Å; E1140-I1142 PolarHBondContact O-N 3.15Å; I1142-L1145 PolarHBondContact O-N 2.87Å; I1142-L1146 HydrophobicContact CG2-CD1 3.87Å; I1142-L1146 HydrophobicContact CG2-CG 4.49Å; I1142-L1146 WeakPolarHBondContact O-CB 3.4Å; I1142-L1146 VanDerWaalsContact O-CG 3.24Å; I1142-L1146 WeakPolarHBondContact O-CG 3.48Å; I1142-L1146 PolarHBondContact O-N 3.22Å
1143	H	43.1	Very low	42	Very low	121 Å²	121	113.3 Å²	113.3	56%	0.56	57%	0.572	S	S	*	*	H	α-helix	trans	-69.6	-36.2	178.3	-110.1	-73.7	0	0	0	113.7	N1139 E1140 L1146 A1147	N1139-H1143 PolarHBondContact O-N 3.41Å; E1140-H1143 PolarHBondContact O-N 3.48Å; H1143-L1146 PolarHBondContact O-N 3.03Å; H1143-A1147 VanDerWaalsContact O-CB 3.3Å; H1143-A1147 WeakPolarHBondContact O-CB 3.33Å; H1143-A1147 PolarHBondContact O-N 2.91Å
1144	W	39.8	Very low	41.4	Very low	174 Å²	174	118.2 Å²	118.2	66%	0.659	60%	0.595	S	S	*	*	H	α-helix	trans	-71.2	-38.1	174.4	-128.6	90.2	0	0	0	111.9	E1140 A1147 Q1148	E1140-W1144 WeakPolarHBondContact O-CB 3.3Å; E1140-W1144 PolarHBondContact O-N 3.33Å; W1144-A1147 PolarHBondContact O-N 3.46Å; W1144-Q1148 VanDerWaalsContact CE3-CD 3.47Å; W1144-Q1148 HydrophobicContact CE3-CG 3.71Å; W1144-Q1148 HydrophobicContact CZ3-CG 3.74Å; W1144-Q1148 WeakPolarHBondContact O-CB 3.45Å; W1144-Q1148 WeakPolarHBondContact O-CG 3.31Å; W1144-Q1148 PolarHBondContact O-N 3.15Å
1145	L	37.3	Very low	41	Very low	104 Å²	104	116.7 Å²	116.7	55%	0.545	59%	0.59	S	S	.	*	H	α-helix	trans	-63.3	-39.5	170.9	-89.1	157.2	0	0	0	111.7	R1141 I1142 L1149	R1141-L1145 VanDerWaalsContact O-CB 3.31Å; R1141-L1145 WeakPolarHBondContact O-CB 3.45Å; R1141-L1145 WeakPolarHBondContact O-CD1 3.38Å; R1141-L1145 WeakPolarHBondContact O-CG 3.24Å; R1141-L1145 PolarHBondContact O-N 3.48Å; R1141-L1145 VanDerWaalsContact O-N 3.15Å; I1142-L1145 PolarHBondContact O-N 2.87Å; L1145-L1149 WeakPolarHBondContact O-CB 3.38Å; L1145-L1149 VanDerWaalsContact O-CD1 3.27Å; L1145-L1149 WeakPolarHBondContact O-CD1 3.49Å; L1145-L1149 WeakPolarHBondContact O-CG 3.27Å; L1145-L1149 PolarHBondContact O-N 3.28Å
1146	L	41.4	Very low	40.6	Very low	96 Å²	96	118.8 Å²	118.8	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-71.6	-37.6	176.7	-73.7	167.7	0	0	0	112.8	I1142 H1143 Q1148 L1149	I1142-L1146 HydrophobicContact CG2-CD1 3.87Å; I1142-L1146 HydrophobicContact CG2-CG 4.49Å; I1142-L1146 WeakPolarHBondContact O-CB 3.4Å; I1142-L1146 VanDerWaalsContact O-CG 3.24Å; I1142-L1146 WeakPolarHBondContact O-CG 3.48Å; I1142-L1146 PolarHBondContact O-N 3.22Å; H1143-L1146 PolarHBondContact O-N 3.03Å; L1146-Q1148 VanDerWaalsContact C-N 3.34Å; L1146-L1149 PolarHBondContact O-N 3.43Å
1147	A	45.4	Very low	40.2	Very low	73 Å²	73	124.6 Å²	124.6	60%	0.603	63%	0.629	S	S	*	*	H	α-helix	trans	-71.2	-26.7	176.5	0	0	0	0	0	113.1	H1143 W1144	H1143-A1147 VanDerWaalsContact O-CB 3.3Å; H1143-A1147 WeakPolarHBondContact O-CB 3.33Å; H1143-A1147 PolarHBondContact O-N 2.91Å; W1144-A1147 PolarHBondContact O-N 3.46Å
1148	Q	42.9	Very low	39.9	Very low	128 Å²	128	127.9 Å²	127.9	60%	0.598	64%	0.641	S	S	*	*	H	α-helix	trans	-81	-13.4	171.1	-73.5	-162.9	-53.2	0	0	114	W1144 L1146	W1144-Q1148 VanDerWaalsContact CE3-CD 3.47Å; W1144-Q1148 HydrophobicContact CE3-CG 3.71Å; W1144-Q1148 HydrophobicContact CZ3-CG 3.74Å; W1144-Q1148 WeakPolarHBondContact O-CB 3.45Å; W1144-Q1148 WeakPolarHBondContact O-CG 3.31Å; W1144-Q1148 PolarHBondContact O-N 3.15Å; L1146-Q1148 VanDerWaalsContact C-N 3.34Å
1149	L	40.5	Very low	39.8	Very low	128 Å²	128	125 Å²	125	67%	0.67	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	1.9	179	-76	167	0	0	0	113.7	L1145 L1146 P1151	L1145-L1149 WeakPolarHBondContact O-CB 3.38Å; L1145-L1149 VanDerWaalsContact O-CD1 3.27Å; L1145-L1149 WeakPolarHBondContact O-CD1 3.49Å; L1145-L1149 WeakPolarHBondContact O-CG 3.27Å; L1145-L1149 PolarHBondContact O-N 3.28Å; L1146-L1149 PolarHBondContact O-N 3.43Å; L1149-P1151 WeakPolarHBondContact O-CD 3.15Å
1150	V	39	Very low	39.7	Very low	96 Å²	96	128.7 Å²	128.7	58%	0.582	65%	0.647	S	S	*	*			trans	-117	76.5	172	-170.1	0	0	0	0	111
1151	P	30.8	Very low	39.3	Very low	98 Å²	98	132.2 Å²	132.2	64%	0.636	67%	0.667	S	S	*	*			trans	-86.1	135	149.5	32.4	-23.1	0	0	0	108.6	L1149	L1149-P1151 WeakPolarHBondContact O-CD 3.15Å
1152	D	30	Very low	39.1	Very low	160 Å²	160	127.3 Å²	127.3	86%	0.856	66%	0.663	S	S	*	*			trans	84.5	77	177.8	-52.1	-28.6	0	0	0	117.4
1153	M	33.2	Very low	38.5	Very low	249 Å²	249	129.7 Å²	129.7	100%	1.227	68%	0.676	S	S	*	*			trans	-147.8	0	141.8	-103.2	-168.1	-64.4	0	0	110.8

Retrieved 1,153 of 1,153 residues in 2672.1 ms (Link to these results)

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