A0A3Q0KDX9_SCHMA Loading...

Putative arsenite-resistance protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,196 aa.

						>A0A3Q0KDX9_SCHMA|A0A3Q0KDX9
MSAEKDVGQTNLPDSVKNTVPNHGYSLRKGDFAQRPMSIKKFLEPFDHSSLTNNEAGEKYAAYKASFARQQLEEFFERNKEYAWFREKYHPDYLTEPSSSMKLFQRRLEIFMEFYRNGYFDNLHLTSGYESEIVRLLDMVAIKLAGGTEEDFILLDKLREDRISENPNVIIEPSTFQHTENLEPNDNIVQSSDIREGPFDKEKFDASTTRNKPKPDYCDSSKVQKRKESRIKRRQNNPDEEEGEDSSLSDDESNDSGSDSINSHSGDSSSSNNSTNGSSSSSDSSDDDDNGSSNSSNSSSSTDDNDDMKHQRKVSISKSNGSDSSDGETAVKHKKKRSKLVKHKNVQESSGHSGDRHRHHDDNNNNHDNLHNKVNSNSTNHLYNDQENKNDCSKVVPDEVNTMSSTKSFNTAGSNQSNEVYVLSGLTDPPYIAGGVISDDTHHNSITNDSEKSMDSDNPTIEKSADPINEDHLKELIVTNEQTRRPIHYTSLLFFPHIPFNIFKRDLISVLSTCPHFLRLAILDPVIMPDTMSSITDDQIFGRVKNPMPKILLKRMGWASFTSQYIDDVNNKWINIDLISIKSKLIGHAVDHEASSDLIECLRLSRPILDHLKVPLEERARKTGHLFDKLLTVCPARIRSKALARRHLVIAARIIHDFDKARGLWSTREYDASDNRENDNIMSADKEGGKEEHGYLRRHGEVSSIADDGEEEGEDGGGTTTNEQKENSCKDTLSLQNNLSENDINHTSNQDRSMDVDQSVENEETMEDQNTDLDLKESSHQKTHKSSSLQDNDDKQSDFIDPGDDLIKAANILNSIKTINPFLQGLTDYLVDEGNAEEEFLLLGGMQSISFQPSSITKGTLINNSQVMNLQSSLQLQKLDITSPFYESDDSELLVVLDRLILYLRIVHSVDFYSPAFYMNEDLMPHPCRLIHIRPGLNEITKALTQIKNPEKLINSELVDHLFASQIKRLVRLITPLTENDCKSLGYRNADDVVEEFIKLNTRRKKRKADVIWVCPLSNKKFRDPIYVKKHILNKHMEKVEAAKKDNAYFFNNYLLDPARPQLPPEPRSPRRRSRSPSPSRGTARKSSHQANETSERERSNSWTKGSNNFQSQRWQQYGRNRNEGGNMGGNYGRDNINTNLPFYPRPYGRQQYSNFRIPYGGGNQRNYYNGPRTGGYNNFNRRGYPRRSYIDLDAP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	34.1	Very low	36.2	Very low	232 Å²	232	140.2 Å²	140.2	100%	1.143	79%	0.792	S	S	*	*				0	137.3	0	-66.9	170.2	71.8	0	0	106.9
2	S	35.3	Very low	35.9	Very low	116 Å²	116	141.4 Å²	141.4	81%	0.811	79%	0.794	S	S	*	*			trans	48.2	90.2	164.6	-46.9	0	0	0	0	117
3	A	37.1	Very low	35.9	Very low	79 Å²	79	139.6 Å²	139.6	65%	0.653	79%	0.792	S	S	*	*				78.3	110.4	72.6	0	0	0	0	0	112.6
4	E	38.3	Very low	35.6	Very low	157 Å²	157	141.4 Å²	141.4	73%	0.734	80%	0.798	S	S	*	*				85.1	148.7	107.1	-68.4	-179.2	142.9	0	0	112.5
5	K	39.4	Very low	35.3	Very low	140 Å²	140	138.3 Å²	138.3	61%	0.609	79%	0.789	S	S	*	*			cis	-156.6	150.1	23.5	-139.5	136.3	-160.1	152.7	0	112.2
6	D	38.4	Very low	35.4	Very low	135 Å²	135	138.4 Å²	138.4	72%	0.722	79%	0.793	S	S	*	*			trans	22.9	146.3	135.4	-46.4	-21.4	0	0	0	120
7	V	39.7	Very low	35.2	Very low	148 Å²	148	140.1 Å²	140.1	90%	0.897	79%	0.789	S	S	*	*			cis	-160	167.6	3.9	101.1	0	0	0	0	107.4
8	G	34.5	Very low	34.9	Very low	61 Å²	61	141.8 Å²	141.8	63%	0.629	80%	0.796	S	S	*	*			cis	-178.2	-126.5	10.2	0	0	0	0	0	110.9
9	Q	34.2	Very low	34.9	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.864	79%	0.79	S	S	*	*			trans	-141.3	150.1	-178.5	-69.7	172.5	-32.8	0	0	113.2
10	T	33.9	Very low	35.3	Very low	138 Å²	138	138.9 Å²	138.9	85%	0.847	79%	0.785	S	S	*	*			trans	-133.6	145.7	160	49.4	0	0	0	0	110
11	N	33.7	Very low	35.8	Very low	151 Å²	151	135.9 Å²	135.9	81%	0.807	77%	0.771	S	S	*	*			trans	-92.5	146.7	-159.5	-54.8	-67.7	0	0	0	114.4
12	L	32.2	Very low	36.5	Very low	155 Å²	155	127.7 Å²	127.7	81%	0.812	73%	0.732	S	S	*	*			trans	-75.1	141	159.3	-79.7	81	0	0	0	110.4
13	P	36	Very low	37.7	Very low	118 Å²	118	125 Å²	125	77%	0.766	71%	0.707	S	S	*	*			trans	-97.6	98.7	168.6	34.3	-29.3	0	0	0	112.1	S15	P13-S15 PolarHBondContact O-N 2.69Å
14	D	31.4	Very low	38.9	Very low	165 Å²	165	122.2 Å²	122.2	88%	0.882	69%	0.685	S	S	*	*			trans	-69.5	89.8	170.9	-86.7	-40.4	0	0	0	112
15	S	31.9	Very low	40.4	Very low	95 Å²	95	119 Å²	119	66%	0.664	67%	0.667	S	S	*	*			trans	-167.6	58.9	161.8	178.1	0	0	0	0	113.6	P13 K17	P13-S15 PolarHBondContact O-N 2.69Å; S15-K17 PolarHBondContact O-N 3.34Å
16	V	36.8	Very low	41.9	Very low	139 Å²	139	114.6 Å²	114.6	84%	0.842	65%	0.654	S	S	*	*			trans	-93.7	91.6	165.4	-174	0	0	0	0	109.7
17	K	32.3	Very low	43.3	Very low	167 Å²	167	109.1 Å²	109.1	73%	0.726	62%	0.624	S	S	*	*			trans	-64	141.5	167.1	-65.9	-178.4	179.7	-179.3	0	108.9	S15 T19	S15-K17 PolarHBondContact O-N 3.34Å; K17-T19 PolarHBondContact O-N 3.48Å
18	N	29.2	Very low	44.6	Very low	171 Å²	171	111.3 Å²	111.3	91%	0.914	62%	0.616	S	S	*	*			trans	-69.4	70.3	-177.7	-85.2	-31.9	0	0	0	113.5
19	T	34.9	Very low	45.9	Very low	113 Å²	113	116.7 Å²	116.7	69%	0.693	62%	0.623	S	S	*	*			trans	-99.1	101.1	165.9	52.6	0	0	0	0	109.1	K17 P21	K17-T19 PolarHBondContact O-N 3.48Å; T19-P21 WeakPolarHBondContact O-CD 3.41Å
20	V	42.7	Very low	47.2	Very low	112 Å²	112	110.3 Å²	110.3	68%	0.679	61%	0.606	S	S	*	*			trans	-55.9	113.4	168	178	0	0	0	0	107.5	N22	V20-N22 PolarHBondContact O-N 2.76Å
21	P	45.4	Very low	48.8	Very low	76 Å²	76	104.2 Å²	104.2	49%	0.494	57%	0.569	S	S	.	*			trans	-73.1	134.1	-169.9	-7.3	21.5	0	0	0	109.3	T19 H23	T19-P21 WeakPolarHBondContact O-CD 3.41Å; P21-H23 VanDerWaalsContact C-N 3.26Å; P21-H23 VanDerWaalsContact CB-CE1 3.49Å; P21-H23 WeakPolarHBondContact CB-CE1 3.39Å; P21-H23 PolarHBondContact O-N 3.46Å; P21-H23 PolarHBondContact O-ND1 3.35Å
22	N	50.2	Low	50.8	Low	61 Å²	61	98.2 Å²	98.2	33%	0.326	54%	0.536	S	S	.	.			trans	-87.9	65.1	-161.3	-145.5	5.3	0	0	0	111.1	V20 G24 D530	V20-N22 PolarHBondContact O-N 2.76Å; N22-G24 PolarHBondContact O-N 3.5Å; N22-G24 VanDerWaalsContact O-N 3.12Å; N22-D530 PolarHBondContact ND2-OD1 3.44Å; N22-D530 PolarHBondContact ND2-OD2 3.42Å
23	H	59.3	Low	52.9	Low	60 Å²	60	92.1 Å²	92.1	28%	0.278	51%	0.507	S	S	.	.			trans	-60.4	112.1	-175.2	-65.6	95.8	0	0	0	111.4	P21 H497 K554 L604	P21-H23 VanDerWaalsContact C-N 3.26Å; P21-H23 VanDerWaalsContact CB-CE1 3.49Å; P21-H23 WeakPolarHBondContact CB-CE1 3.39Å; P21-H23 PolarHBondContact O-N 3.46Å; P21-H23 PolarHBondContact O-ND1 3.35Å; H23-H497 HydrophobicContact CB-CB 3.93Å; H23-H497 WeakPolarHBondContact O-CB 3.44Å; H23-K554 WeakPolarHBondContact O-CD 3.38Å; H23-K554 WeakPolarHBondContact O-CE 3.44Å; H23-K554 PolarHBondContact O-NZ 2.88Å; H23-L604 HydrophobicContact CB-CD1 4.1Å; H23-L604 VanDerWaalsContact CE1-CD1 3.45Å; H23-L604 WeakPolarHBondContact CE1-CD1 3.28Å; H23-L604 VanDerWaalsContact CE1-CD2 3.43Å; H23-L604 WeakPolarHBondContact CE1-CD2 3.48Å; H23-L604 VanDerWaalsContact CG-CD1 3.43Å; H23-L604 VanDerWaalsContact ND1-CD1 3.31Å; H23-L604 WeakPolarHBondContact ND1-CD1 3.25Å; H23-L604 WeakPolarHBondContact ND1-CD2 3.34Å
24	G	61.6	Low	54.8	Low	19 Å²	19	92 Å²	92	20%	0.196	50%	0.497	C	S	.	.	S	Bend	trans	166	136.1	-173.8	0	0	0	0	0	109.7	N22 S26	N22-G24 PolarHBondContact O-N 3.5Å; N22-G24 VanDerWaalsContact O-N 3.12Å; G24-S26 PolarHBondContact O-N 2.79Å; G24-S26 VanDerWaalsContact O-N 3.08Å
25	Y	70.3	Confident	57.2	Low	89 Å²	89	90.7 Å²	90.7	35%	0.349	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	105.5	-177.6	-173.2	-89.3	0	0	0	110.1	L27 D31 R78 F500 L552 L553	Y25-L27 HydrophobicContact CD1-CD2 4.2Å; Y25-L27 HydrophobicContact CE1-CD2 4.49Å; Y25-L27 PolarHBondContact O-N 3.07Å; Y25-L27 VanDerWaalsContact O-N 3.16Å; Y25-D31 WeakPolarHBondContact CE1-OD2 3.4Å; Y25-R78 PolarHBondContact OH-NH2 3.34Å; Y25-R78 VanDerWaalsContact OH-NH2 3.09Å; Y25-F500 HydrophobicContact CG-CE2 4.23Å; Y25-L552 CarbonylContact O-C 3.44Å; Y25-L552 WeakPolarHBondContact O-CA 3.29Å; Y25-L553 PolarHBondContact N-O 2.94Å; Y25-L553 PolarHBondContact O-N 3.27Å
26	S	71.1	Confident	59.6	Low	49 Å²	49	89.1 Å²	89.1	34%	0.343	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	106.4	-179	177.6	0	0	0	0	111.2	G24 R28	G24-S26 PolarHBondContact O-N 2.79Å; G24-S26 VanDerWaalsContact O-N 3.08Å; S26-R28 PolarHBondContact O-N 3.17Å
27	L	68.7	Low	61.8	Low	20 Å²	20	85.9 Å²	85.9	11%	0.105	44%	0.443	C	S	.	.			trans	-58.3	121.3	-180	-61.9	174.2	0	0	0	111.3	Y25 D31 F32 I551 L553 P1064	Y25-L27 HydrophobicContact CD1-CD2 4.2Å; Y25-L27 HydrophobicContact CE1-CD2 4.49Å; Y25-L27 PolarHBondContact O-N 3.07Å; Y25-L27 VanDerWaalsContact O-N 3.16Å; L27-D31 WeakPolarHBondContact CA-OD2 3.5Å; L27-D31 HydrophobicContact CB-CB 4.14Å; L27-D31 HydrophobicContact CD2-CB 3.64Å; L27-D31 HydrophobicContact CG-CB 4.49Å; L27-F32 HydrophobicContact CB-CE1 4.48Å; L27-F32 HydrophobicContact CB-CE2 4.08Å; L27-F32 HydrophobicContact CB-CZ 3.83Å; L27-F32 HydrophobicContact CD1-CE1 4.13Å; L27-F32 HydrophobicContact CD1-CZ 4.26Å; L27-I551 WeakPolarHBondContact CB-O 3.25Å; L27-I551 HydrophobicContact CD1-CB 4.2Å; L27-I551 HydrophobicContact CD1-CG2 3.81Å; L27-I551 PolarHBondContact N-O 2.93Å; L27-L553 HydrophobicContact CD2-CB 4.29Å; L27-P1064 HydrophobicContact CD1-CG 4Å
28	R	66.6	Low	64.4	Low	193 Å²	193	81.3 Å²	81.3	73%	0.728	43%	0.433	S	S	*	.			trans	-89.3	174.1	171.2	-57.4	-172.8	179.3	-144.3	1	109.9	S26 G30 D31 F32	S26-R28 PolarHBondContact O-N 3.17Å; R28-G30 PolarHBondContact O-N 3.36Å; R28-D31 PolarHBondContact N-OD2 3.18Å; R28-D31 WeakPolarHBondContact O-CB 3.46Å; R28-D31 PolarHBondContact O-N 3.49Å; R28-F32 VanDerWaalsContact O-CD2 3.26Å; R28-F32 WeakPolarHBondContact O-CD2 3.46Å; R28-F32 WeakPolarHBondContact O-CE2 3.44Å
29	K	60.9	Low	67.2	Low	174 Å²	174	77 Å²	77	76%	0.757	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-59.6	-30.5	-177.1	-167.2	-179	176.9	-168.4	0	113.8	D31	K29-D31 PolarHBondContact O-N 2.96Å
30	G	62	Low	69.6	Low	51 Å²	51	78.8 Å²	78.8	53%	0.526	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-80.5	6.5	175.7	0	0	0	0	0	114.8	R28 R78	R28-G30 PolarHBondContact O-N 3.36Å; G30-R78 PolarHBondContact O-NH1 2.75Å
31	D	68.6	Low	71.8	Confident	11 Å²	11	79 Å²	79	6%	0.059	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-112.4	10.4	-176.1	-44.7	-20.7	0	0	0	111.5	Y25 L27 R28 K29 R78	Y25-D31 WeakPolarHBondContact CE1-OD2 3.4Å; L27-D31 WeakPolarHBondContact CA-OD2 3.5Å; L27-D31 HydrophobicContact CB-CB 4.14Å; L27-D31 HydrophobicContact CD2-CB 3.64Å; L27-D31 HydrophobicContact CG-CB 4.49Å; R28-D31 PolarHBondContact N-OD2 3.18Å; R28-D31 WeakPolarHBondContact O-CB 3.46Å; R28-D31 PolarHBondContact O-N 3.49Å; K29-D31 PolarHBondContact O-N 2.96Å; D31-R78 IonicContact OD1-CZ 2.64Å; D31-R78 IonicContact OD1-NH1 3.49Å; D31-R78 PolarHBondContact OD1-NH1 2.84Å; D31-R78 IonicContact OD1-NH2 3.05Å; D31-R78 PolarHBondContact OD1-NH2 3.14Å; D31-R78 IonicContact OD2-NH2 3.2Å
32	F	74	Confident	73.8	Confident	25 Å²	25	76.7 Å²	76.7	11%	0.11	38%	0.381	C	S	.	.	S	Bend	trans	-111.5	145.9	174.9	-64.8	-79.8	0	0	0	110.1	L27 R28 Q34 I551 P1064 E1066 P1067	L27-F32 HydrophobicContact CB-CE1 4.48Å; L27-F32 HydrophobicContact CB-CE2 4.08Å; L27-F32 HydrophobicContact CB-CZ 3.83Å; L27-F32 HydrophobicContact CD1-CE1 4.13Å; L27-F32 HydrophobicContact CD1-CZ 4.26Å; R28-F32 VanDerWaalsContact O-CD2 3.26Å; R28-F32 WeakPolarHBondContact O-CD2 3.46Å; R28-F32 WeakPolarHBondContact O-CE2 3.44Å; F32-Q34 PolarHBondContact O-N 3.29Å; F32-I551 HydrophobicContact CE1-CD1 4Å; F32-I551 HydrophobicContact CZ-CB 4.46Å; F32-I551 HydrophobicContact CZ-CD1 4.07Å; F32-P1064 CarbonylContact C-O 3.46Å; F32-P1064 VanDerWaalsContact CA-O 3.23Å; F32-P1064 WeakPolarHBondContact CA-O 3.42Å; F32-P1064 WeakPolarHBondContact CB-O 3.45Å; F32-P1064 HydrophobicContact CD1-CB 4.08Å; F32-P1064 HydrophobicContact CE1-CB 4.4Å; F32-E1066 HydrophobicContact CB-CB 3.9Å; F32-E1066 HydrophobicContact CG-CB 4.27Å; F32-P1067 HydrophobicContact CE1-CG 4.38Å; F32-P1067 HydrophobicContact CZ-CG 4.47Å
33	A	76.2	Confident	75.5	Confident	26 Å²	26	75.8 Å²	75.8	22%	0.215	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-55.9	126.3	177.1	0	0	0	0	0	110.2	R35 L1063 P1064	A33-R35 PolarHBondContact O-N 3.39Å; A33-L1063 HydrophobicContact CB-CB 3.84Å; A33-L1063 WeakPolarHBondContact CB-O 3.27Å; A33-P1064 PolarHBondContact N-O 2.59Å
34	Q	77.9	Confident	76.7	Confident	116 Å²	116	78.2 Å²	78.2	54%	0.542	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.2	138.2	173.6	-60	-165.6	48.6	0	0	108.1	F32 F67	F32-Q34 PolarHBondContact O-N 3.29Å; Q34-F67 HydrophobicContact CB-CE2 4.4Å; Q34-F67 HydrophobicContact CB-CZ 3.83Å; Q34-F67 WeakPolarHBondContact O-CE1 3.5Å; Q34-F67 VanDerWaalsContact O-CZ 3.28Å; Q34-F67 WeakPolarHBondContact O-CZ 3.27Å
35	R	79.9	Confident	77.7	Confident	137 Å²	137	82.4 Å²	82.4	52%	0.517	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-82.7	131.8	176.4	-60.9	-165.1	-169.3	102.8	3.8	108.7	A33 E1066	A33-R35 PolarHBondContact O-N 3.39Å; R35-E1066 IonicContact CZ-OE2 2.73Å; R35-E1066 IonicContact NH1-OE2 3.03Å; R35-E1066 PolarHBondContact NH1-OE2 3.4Å; R35-E1066 PolarHBondContact NH2-O 3.34Å; R35-E1066 IonicContact NH2-OE2 2.68Å; R35-E1066 PolarHBondContact NH2-OE2 2.71Å
36	P	83.7	Confident	78.2	Confident	62 Å²	62	81.1 Å²	81.1	40%	0.403	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-58.8	148.5	174.5	25.4	-33.7	0	0	0	109.8	S38 Y63 F67	P36-S38 PolarHBondContact O-N 3.32Å; P36-Y63 HydrophobicContact CB-CE1 4.2Å; P36-F67 HydrophobicContact CB-CD1 3.77Å; P36-F67 HydrophobicContact CB-CE1 3.84Å; P36-F67 HydrophobicContact CB-CG 4.27Å; P36-F67 HydrophobicContact CB-CZ 4.36Å; P36-F67 HydrophobicContact CG-CD1 4.45Å; P36-F67 HydrophobicContact CG-CE1 4.28Å
37	M	83.5	Confident	78.5	Confident	71 Å²	71	84.4 Å²	84.4	35%	0.35	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-55.8	136.9	176.3	-66.9	-169.7	-71.3	0	0	109.9	K41 F42 Y60 Y63	M37-K41 HydrophobicContact SD-CD 4.27Å; M37-K41 HydrophobicContact SD-CG 4.23Å; M37-F42 HydrophobicContact CE-CD2 4.34Å; M37-Y60 WeakPolarHBondContact O-CE2 3.44Å; M37-Y60 PolarHBondContact O-OH 2.92Å; M37-Y63 HydrophobicContact CB-CE1 4.01Å; M37-Y63 HydrophobicContact CE-CE1 4.44Å; M37-Y63 HydrophobicContact CE-CE2 3.8Å; M37-Y63 PolarHBondContact N-OH 2.88Å
38	S	86.9	Confident	78.4	Confident	72 Å²	72	92.2 Å²	92.2	50%	0.503	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-62	145.1	171.9	56.8	0	0	0	0	110.3	P36 K40 K41 F42	P36-S38 PolarHBondContact O-N 3.32Å; S38-K40 PolarHBondContact O-N 3.01Å; S38-K41 WeakPolarHBondContact O-CA 3.46Å; S38-K41 PolarHBondContact O-N 3.24Å; S38-F42 PolarHBondContact O-N 3.08Å
39	I	87.1	Confident	78.4	Confident	79 Å²	79	88.7 Å²	88.7	41%	0.405	46%	0.462	S	S	.	.	H	α-helix	trans	-47.1	-41.2	-179.2	-164.9	170.3	0	0	0	113.4	K41 F42 L43 Y60	I39-K41 PolarHBondContact O-N 2.73Å; I39-F42 PolarHBondContact O-N 3.1Å; I39-L43 HydrophobicContact CD1-CD1 4.35Å; I39-L43 HydrophobicContact CG1-CD1 3.83Å; I39-L43 HydrophobicContact CG1-CG 4.23Å; I39-L43 WeakPolarHBondContact O-CB 3.22Å; I39-L43 WeakPolarHBondContact O-CG 3.3Å; I39-L43 PolarHBondContact O-N 2.94Å; I39-Y60 HydrophobicContact CB-CD1 3.93Å; I39-Y60 HydrophobicContact CB-CD2 4.3Å; I39-Y60 HydrophobicContact CB-CE1 3.55Å; I39-Y60 HydrophobicContact CB-CE2 3.98Å; I39-Y60 HydrophobicContact CB-CG 4.27Å; I39-Y60 HydrophobicContact CD1-CD1 3.62Å; I39-Y60 HydrophobicContact CD1-CE1 3.98Å; I39-Y60 HydrophobicContact CD1-CG 4.13Å; I39-Y60 HydrophobicContact CG1-CD1 3.69Å; I39-Y60 HydrophobicContact CG1-CD2 4.2Å; I39-Y60 HydrophobicContact CG1-CE1 3.88Å; I39-Y60 HydrophobicContact CG1-CE2 4.39Å; I39-Y60 HydrophobicContact CG1-CG 3.84Å; I39-Y60 PolarHBondContact N-OH 3.06Å; I39-Y60 VanDerWaalsContact N-OH 3.15Å
40	K	85.7	Confident	78.9	Confident	152 Å²	152	84 Å²	84	66%	0.661	45%	0.451	S	S	*	.	H	α-helix	trans	-56.2	-53.3	174.7	-172.1	-172.4	171.2	-176.1	0	111.9	S38 F42 L43 E44	S38-K40 PolarHBondContact O-N 3.01Å; K40-F42 VanDerWaalsContact C-N 3.32Å; K40-F42 PolarHBondContact O-N 2.96Å; K40-L43 CarbonylContact O-C 3.55Å; K40-L43 PolarHBondContact O-N 3.34Å; K40-L43 VanDerWaalsContact O-N 3.12Å; K40-E44 WeakPolarHBondContact CE-OE1 3.32Å; K40-E44 WeakPolarHBondContact O-CG 3.37Å; K40-E44 PolarHBondContact O-N 3.48Å
41	K	87.6	Confident	79.5	Confident	116 Å²	116	83 Å²	83	50%	0.504	43%	0.433	S	S	.	.	H	α-helix	trans	-64.7	-32.8	178.1	-176.7	171.7	-177.5	-174.6	0	113.2	M37 S38 I39 L43	M37-K41 HydrophobicContact SD-CD 4.27Å; M37-K41 HydrophobicContact SD-CG 4.23Å; S38-K41 WeakPolarHBondContact O-CA 3.46Å; S38-K41 PolarHBondContact O-N 3.24Å; I39-K41 PolarHBondContact O-N 2.73Å; K41-L43 VanDerWaalsContact C-N 3.3Å
42	F	88.2	Confident	80.2	Confident	28 Å²	28	86.9 Å²	86.9	12%	0.123	46%	0.458	C	S	.	.	H	α-helix	trans	-67.1	-33.3	173.2	176.5	-101.5	0	0	0	112	M37 S38 I39 K40 P45 F46 K59 Y60 Y63	M37-F42 HydrophobicContact CE-CD2 4.34Å; S38-F42 PolarHBondContact O-N 3.08Å; I39-F42 PolarHBondContact O-N 3.1Å; K40-F42 VanDerWaalsContact C-N 3.32Å; K40-F42 PolarHBondContact O-N 2.96Å; F42-P45 WeakPolarHBondContact O-CD 3.13Å; F42-F46 HydrophobicContact CE1-CE2 4.17Å; F42-F46 HydrophobicContact CZ-CE2 4.14Å; F42-F46 HydrophobicContact CZ-CZ 4.36Å; F42-F46 WeakPolarHBondContact O-CD2 3.41Å; F42-F46 WeakPolarHBondContact O-CE2 3.47Å; F42-K59 HydrophobicContact CE1-CB 4.06Å; F42-K59 HydrophobicContact CZ-CB 4.22Å; F42-K59 WeakPolarHBondContact CZ-O 3.43Å; F42-Y60 HydrophobicContact CB-CD2 3.92Å; F42-Y60 HydrophobicContact CB-CE2 4.18Å; F42-Y60 AromaticContact CD1-CD2 3.72Å; F42-Y60 HydrophobicContact CD1-CD2 3.72Å; F42-Y60 HydrophobicContact CD1-CG 4.23Å; F42-Y60 HydrophobicContact CE1-CD2 4.46Å; F42-Y60 AromaticContact CG-CD2 3.83Å; F42-Y60 HydrophobicContact CG-CD2 3.83Å; F42-Y63 AromaticContact CD2-CD1 3.71Å; F42-Y63 HydrophobicContact CD2-CD1 3.71Å; F42-Y63 HydrophobicContact CD2-CD2 4.07Å; F42-Y63 HydrophobicContact CD2-CE1 4.34Å; F42-Y63 AromaticContact CD2-CG 3.56Å; F42-Y63 HydrophobicContact CD2-CG 3.56Å; F42-Y63 HydrophobicContact CE2-CD1 4.12Å; F42-Y63 AromaticContact CE2-CD2 4Å; F42-Y63 HydrophobicContact CE2-CD2 4Å; F42-Y63 AromaticContact CE2-CG 3.52Å; F42-Y63 HydrophobicContact CE2-CG 3.52Å; F42-Y63 HydrophobicContact CG-CD1 4.17Å; F42-Y63 HydrophobicContact CG-CG 4.4Å; F42-Y63 HydrophobicContact CZ-CG 4.31Å
43	L	85.6	Confident	80.7	Confident	41 Å²	41	92.8 Å²	92.8	22%	0.215	49%	0.49	C	S	.	.	H	α-helix	trans	-92	-5.6	179.1	-62.5	179.5	0	0	0	114.3	I39 K40 K41 P45 F46 L51 A56	I39-L43 HydrophobicContact CD1-CD1 4.35Å; I39-L43 HydrophobicContact CG1-CD1 3.83Å; I39-L43 HydrophobicContact CG1-CG 4.23Å; I39-L43 WeakPolarHBondContact O-CB 3.22Å; I39-L43 WeakPolarHBondContact O-CG 3.3Å; I39-L43 PolarHBondContact O-N 2.94Å; K40-L43 CarbonylContact O-C 3.55Å; K40-L43 PolarHBondContact O-N 3.34Å; K40-L43 VanDerWaalsContact O-N 3.12Å; K41-L43 VanDerWaalsContact C-N 3.3Å; L43-P45 VanDerWaalsContact C-CD 3.47Å; L43-P45 VanDerWaalsContact C-N 3.31Å; L43-F46 HydrophobicContact CD2-CD2 4.12Å; L43-F46 HydrophobicContact CD2-CG 4.47Å; L43-F46 PolarHBondContact O-N 3.27Å; L43-L51 HydrophobicContact CD2-CD2 3.57Å; L43-A56 HydrophobicContact CD1-CB 4.13Å; L43-A56 HydrophobicContact CD2-CB 4.2Å
44	E	83.8	Confident	81.2	Confident	111 Å²	111	97.3 Å²	97.3	52%	0.519	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.4	176.1	-89.3	158.9	-160.4	0	0	114.3	K40	K40-E44 WeakPolarHBondContact CE-OE1 3.32Å; K40-E44 WeakPolarHBondContact O-CG 3.37Å; K40-E44 PolarHBondContact O-N 3.48Å
45	P	84	Confident	81.6	Confident	108 Å²	108	94.7 Å²	94.7	70%	0.701	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-0.8	171.5	-13.1	30.9	0	0	0	115.7	F42 L43	F42-P45 WeakPolarHBondContact O-CD 3.13Å; L43-P45 VanDerWaalsContact C-CD 3.47Å; L43-P45 VanDerWaalsContact C-N 3.31Å
46	F	81	Confident	81.9	Confident	61 Å²	61	88.6 Å²	88.6	27%	0.268	48%	0.478	S	S	.	.	S	Bend	trans	-105.1	125.8	-178.5	-68.4	-96.7	0	0	0	110.4	F42 L43 H48 L51 K59	F42-F46 HydrophobicContact CE1-CE2 4.17Å; F42-F46 HydrophobicContact CZ-CE2 4.14Å; F42-F46 HydrophobicContact CZ-CZ 4.36Å; F42-F46 WeakPolarHBondContact O-CD2 3.41Å; F42-F46 WeakPolarHBondContact O-CE2 3.47Å; L43-F46 HydrophobicContact CD2-CD2 4.12Å; L43-F46 HydrophobicContact CD2-CG 4.47Å; L43-F46 PolarHBondContact O-N 3.27Å; F46-H48 PolarHBondContact O-N 2.68Å; F46-H48 PolarHBondContact O-ND1 3.09Å; F46-L51 HydrophobicContact CB-CD2 4.16Å; F46-L51 HydrophobicContact CD1-CD1 4.26Å; F46-L51 HydrophobicContact CD1-CD2 3.96Å; F46-L51 HydrophobicContact CG-CD2 4.07Å; F46-K59 HydrophobicContact CE1-CD 4.06Å; F46-K59 HydrophobicContact CZ-CD 4.4Å
47	D	76.5	Confident	82.1	Confident	119 Å²	119	87.3 Å²	87.3	64%	0.636	48%	0.476	S	S	*	.			trans	-60.6	134.9	177.1	-72.1	-48	0	0	0	111.2	S49 S50	D47-S49 PolarHBondContact O-N 3.32Å; D47-S50 PolarHBondContact O-N 3.05Å; D47-S50 VanDerWaalsContact O-N 3.11Å; D47-S50 PolarHBondContact O-OG 3.33Å
48	H	67.4	Low	82.4	Confident	184 Å²	184	90.1 Å²	90.1	85%	0.852	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-7.6	-172.1	-60.8	-3.8	0	0	0	113.7	F46	F46-H48 PolarHBondContact O-N 2.68Å; F46-H48 PolarHBondContact O-ND1 3.09Å
49	S	67	Low	82.5	Confident	119 Å²	119	90.6 Å²	90.6	83%	0.832	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-17.5	176.3	48.4	0	0	0	0	114.2	D47	D47-S49 PolarHBondContact O-N 3.32Å
50	S	69.8	Low	82.6	Confident	76 Å²	76	88.4 Å²	88.4	53%	0.531	47%	0.468	S	S	.	.	S	Bend	trans	-101.3	-1.1	-169.7	72.4	0	0	0	0	114.6	D47	D47-S50 PolarHBondContact O-N 3.05Å; D47-S50 VanDerWaalsContact O-N 3.11Å; D47-S50 PolarHBondContact O-OG 3.33Å
51	L	75.8	Confident	82.8	Confident	29 Å²	29	83.5 Å²	83.5	15%	0.152	46%	0.455	C	S	.	.			trans	-134.4	114.5	-169.8	-160.1	75	0	0	0	112.3	L43 F46 E55 A56 K59	L43-L51 HydrophobicContact CD2-CD2 3.57Å; F46-L51 HydrophobicContact CB-CD2 4.16Å; F46-L51 HydrophobicContact CD1-CD1 4.26Å; F46-L51 HydrophobicContact CD1-CD2 3.96Å; F46-L51 HydrophobicContact CG-CD2 4.07Å; L51-E55 HydrophobicContact CD1-CB 4.4Å; L51-E55 HydrophobicContact CD1-CG 3.91Å; L51-E55 VanDerWaalsContact CD1-OE1 3.28Å; L51-E55 WeakPolarHBondContact CD1-OE1 3.31Å; L51-E55 WeakPolarHBondContact CD1-OE2 3.37Å; L51-A56 HydrophobicContact CD2-CB 3.57Å; L51-A56 HydrophobicContact CG-CB 3.99Å; L51-K59 HydrophobicContact CD1-CD 3.76Å; L51-K59 VanDerWaalsContact CD1-NZ 3.34Å
52	T	83.5	Confident	82.9	Confident	93 Å²	93	80.9 Å²	80.9	57%	0.571	46%	0.455	S	S	*	.			trans	-71.5	146.9	179.6	-66.6	0	0	0	0	110.9	N54 E55 A56	T52-N54 PolarHBondContact O-N 2.95Å; T52-N54 VanDerWaalsContact O-N 3.08Å; T52-E55 PolarHBondContact N-OE2 3.03Å; T52-E55 WeakPolarHBondContact O-CB 3.46Å; T52-E55 PolarHBondContact O-N 3.21Å; T52-E55 VanDerWaalsContact O-N 3.09Å; T52-A56 WeakPolarHBondContact O-CB 3.45Å; T52-A56 PolarHBondContact O-N 3.17Å
53	N	84	Confident	83	Confident	148 Å²	148	81.3 Å²	81.3	79%	0.791	46%	0.456	S	S	*	.	H	α-helix	trans	-52.8	-34.5	-178.4	-78.5	-56.1	0	0	0	114.6	G57	N53-G57 PolarHBondContact O-N 3.3Å
54	N	86	Confident	83.1	Confident	121 Å²	121	82.9 Å²	82.9	65%	0.647	46%	0.461	S	S	*	.	H	α-helix	trans	-69.7	-52.6	176.2	-68.3	-2.7	0	0	0	111.1	T52 A56 G57 E58	T52-N54 PolarHBondContact O-N 2.95Å; T52-N54 VanDerWaalsContact O-N 3.08Å; N54-A56 VanDerWaalsContact C-N 3.29Å; N54-A56 PolarHBondContact O-N 3.13Å; N54-G57 CarbonylContact O-C 3.52Å; N54-G57 VanDerWaalsContact O-CA 3.26Å; N54-G57 WeakPolarHBondContact O-CA 3.48Å; N54-G57 PolarHBondContact O-N 3.08Å; N54-E58 PolarHBondContact O-N 3.03Å
55	E	87.5	Confident	83.2	Confident	62 Å²	62	78.8 Å²	78.8	29%	0.29	45%	0.447	S	S	.	.	H	α-helix	trans	-58.5	-37.9	177.3	-167.2	-161.2	166.6	0	0	112.3	L51 T52 G57 E58 K59	L51-E55 HydrophobicContact CD1-CB 4.4Å; L51-E55 HydrophobicContact CD1-CG 3.91Å; L51-E55 VanDerWaalsContact CD1-OE1 3.28Å; L51-E55 WeakPolarHBondContact CD1-OE1 3.31Å; L51-E55 WeakPolarHBondContact CD1-OE2 3.37Å; T52-E55 PolarHBondContact N-OE2 3.03Å; T52-E55 WeakPolarHBondContact O-CB 3.46Å; T52-E55 PolarHBondContact O-N 3.21Å; T52-E55 VanDerWaalsContact O-N 3.09Å; E55-G57 VanDerWaalsContact C-N 3.32Å; E55-G57 PolarHBondContact O-N 3.09Å; E55-E58 PolarHBondContact O-N 3.44Å; E55-K59 HydrophobicContact CG-CD 4.47Å; E55-K59 WeakPolarHBondContact O-CB 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.41Å; E55-K59 PolarHBondContact O-N 3.37Å; E55-K59 VanDerWaalsContact OE1-CE 3.22Å; E55-K59 WeakPolarHBondContact OE1-CE 3.06Å; E55-K59 IonicContact OE1-NZ 2.62Å; E55-K59 PolarHBondContact OE1-NZ 3.39Å
56	A	86.2	Confident	83.3	Confident	9 Å²	9	76 Å²	76	7%	0.074	43%	0.43	C	S	.	.	H	α-helix	trans	-63.1	-37.6	171.3	0	0	0	0	0	112.2	L43 L51 T52 N54 Y60	L43-A56 HydrophobicContact CD1-CB 4.13Å; L43-A56 HydrophobicContact CD2-CB 4.2Å; L51-A56 HydrophobicContact CD2-CB 3.57Å; L51-A56 HydrophobicContact CG-CB 3.99Å; T52-A56 WeakPolarHBondContact O-CB 3.45Å; T52-A56 PolarHBondContact O-N 3.17Å; N54-A56 VanDerWaalsContact C-N 3.29Å; N54-A56 PolarHBondContact O-N 3.13Å; A56-Y60 WeakPolarHBondContact O-CB 3.44Å; A56-Y60 PolarHBondContact O-N 2.98Å; A56-Y60 VanDerWaalsContact O-N 3.13Å
57	G	88	Confident	83.7	Confident	35 Å²	35	74.4 Å²	74.4	36%	0.361	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-42.7	171.7	0	0	0	0	0	112.7	N53 N54 E55 A61	N53-G57 PolarHBondContact O-N 3.3Å; N54-G57 CarbonylContact O-C 3.52Å; N54-G57 VanDerWaalsContact O-CA 3.26Å; N54-G57 WeakPolarHBondContact O-CA 3.48Å; N54-G57 PolarHBondContact O-N 3.08Å; E55-G57 VanDerWaalsContact C-N 3.32Å; E55-G57 PolarHBondContact O-N 3.09Å; G57-A61 WeakPolarHBondContact O-CB 3.37Å; G57-A61 PolarHBondContact O-N 3.05Å
58	E	88.6	Confident	84.1	Confident	130 Å²	130	69.6 Å²	69.6	61%	0.607	40%	0.4	S	S	*	.	H	α-helix	trans	-69.7	-50.4	179.7	-72.6	165.6	-160.2	0	0	112.2	N54 E55 Y60 A61 A62	N54-E58 PolarHBondContact O-N 3.03Å; E55-E58 PolarHBondContact O-N 3.44Å; E58-Y60 PolarHBondContact O-N 3.34Å; E58-A61 WeakPolarHBondContact O-CA 3.31Å; E58-A61 WeakPolarHBondContact O-CB 3.49Å; E58-A61 PolarHBondContact O-N 2.8Å; E58-A62 WeakPolarHBondContact O-CB 3.44Å; E58-A62 PolarHBondContact O-N 2.93Å
59	K	88.6	Confident	85.1	Confident	81 Å²	81	66.3 Å²	66.3	35%	0.352	38%	0.38	S	S	.	.	H	α-helix	trans	-58.2	-38	173.9	-72.1	-179.5	-178.1	167.2	0	111.4	F42 F46 L51 E55 Y63	F42-K59 HydrophobicContact CE1-CB 4.06Å; F42-K59 HydrophobicContact CZ-CB 4.22Å; F42-K59 WeakPolarHBondContact CZ-O 3.43Å; F46-K59 HydrophobicContact CE1-CD 4.06Å; F46-K59 HydrophobicContact CZ-CD 4.4Å; L51-K59 HydrophobicContact CD1-CD 3.76Å; L51-K59 VanDerWaalsContact CD1-NZ 3.34Å; E55-K59 HydrophobicContact CG-CD 4.47Å; E55-K59 WeakPolarHBondContact O-CB 3.29Å; E55-K59 WeakPolarHBondContact O-CG 3.41Å; E55-K59 PolarHBondContact O-N 3.37Å; E55-K59 VanDerWaalsContact OE1-CE 3.22Å; E55-K59 WeakPolarHBondContact OE1-CE 3.06Å; E55-K59 IonicContact OE1-NZ 2.62Å; E55-K59 PolarHBondContact OE1-NZ 3.39Å; K59-Y63 WeakPolarHBondContact O-CB 3.46Å; K59-Y63 PolarHBondContact O-N 3.11Å
60	Y	90.7	Very high	86.2	Confident	34 Å²	34	66.6 Å²	66.6	13%	0.133	37%	0.368	C	S	.	.	H	α-helix	trans	-72.5	-31.1	174.4	-177.1	-124.9	0	0	0	113.6	M37 I39 F42 A56 E58 Y63 K64	M37-Y60 WeakPolarHBondContact O-CE2 3.44Å; M37-Y60 PolarHBondContact O-OH 2.92Å; I39-Y60 HydrophobicContact CB-CD1 3.93Å; I39-Y60 HydrophobicContact CB-CD2 4.3Å; I39-Y60 HydrophobicContact CB-CE1 3.55Å; I39-Y60 HydrophobicContact CB-CE2 3.98Å; I39-Y60 HydrophobicContact CB-CG 4.27Å; I39-Y60 HydrophobicContact CD1-CD1 3.62Å; I39-Y60 HydrophobicContact CD1-CE1 3.98Å; I39-Y60 HydrophobicContact CD1-CG 4.13Å; I39-Y60 HydrophobicContact CG1-CD1 3.69Å; I39-Y60 HydrophobicContact CG1-CD2 4.2Å; I39-Y60 HydrophobicContact CG1-CE1 3.88Å; I39-Y60 HydrophobicContact CG1-CE2 4.39Å; I39-Y60 HydrophobicContact CG1-CG 3.84Å; I39-Y60 PolarHBondContact N-OH 3.06Å; I39-Y60 VanDerWaalsContact N-OH 3.15Å; F42-Y60 HydrophobicContact CB-CD2 3.92Å; F42-Y60 HydrophobicContact CB-CE2 4.18Å; F42-Y60 AromaticContact CD1-CD2 3.72Å; F42-Y60 HydrophobicContact CD1-CD2 3.72Å; F42-Y60 HydrophobicContact CD1-CG 4.23Å; F42-Y60 HydrophobicContact CE1-CD2 4.46Å; F42-Y60 AromaticContact CG-CD2 3.83Å; F42-Y60 HydrophobicContact CG-CD2 3.83Å; A56-Y60 WeakPolarHBondContact O-CB 3.44Å; A56-Y60 PolarHBondContact O-N 2.98Å; A56-Y60 VanDerWaalsContact O-N 3.13Å; E58-Y60 PolarHBondContact O-N 3.34Å; Y60-Y63 AromaticContact CD2-CD1 3.89Å; Y60-Y63 HydrophobicContact CD2-CD1 3.89Å; Y60-Y63 HydrophobicContact CE2-CD1 4.06Å; Y60-Y63 HydrophobicContact CE2-CE1 4.34Å; Y60-K64 HydrophobicContact CD1-CD 4.43Å; Y60-K64 HydrophobicContact CE1-CD 4.23Å; Y60-K64 HydrophobicContact CE2-CG 4.38Å; Y60-K64 VanDerWaalsContact CZ-CE 3.44Å; Y60-K64 VanDerWaalsContact O-CG 3.28Å; Y60-K64 WeakPolarHBondContact O-CG 3.5Å; Y60-K64 PolarHBondContact O-N 2.69Å; Y60-K64 VanDerWaalsContact O-N 3.07Å
61	A	89.1	Confident	86.9	Confident	49 Å²	49	64.2 Å²	64.2	41%	0.405	35%	0.348	S	S	.	.	H	α-helix	trans	-68.6	-45.8	172.2	0	0	0	0	0	111.2	G57 E58 K64 A65	G57-A61 WeakPolarHBondContact O-CB 3.37Å; G57-A61 PolarHBondContact O-N 3.05Å; E58-A61 WeakPolarHBondContact O-CA 3.31Å; E58-A61 WeakPolarHBondContact O-CB 3.49Å; E58-A61 PolarHBondContact O-N 2.8Å; A61-K64 PolarHBondContact O-N 2.97Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.23Å
62	A	89.3	Confident	87.5	Confident	60 Å²	60	63.3 Å²	63.3	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-45.4	174.6	0	0	0	0	0	111.8	E58 K64 A65 S66	E58-A62 WeakPolarHBondContact O-CB 3.44Å; E58-A62 PolarHBondContact O-N 2.93Å; A62-K64 PolarHBondContact O-N 3.4Å; A62-A65 PolarHBondContact O-N 3.26Å; A62-A65 VanDerWaalsContact O-N 3.16Å; A62-S66 PolarHBondContact O-N 2.92Å; A62-S66 PolarHBondContact O-OG 3.09Å
63	Y	90.6	Very high	87.7	Confident	37 Å²	37	61.7 Å²	61.7	15%	0.145	33%	0.33	C	S	.	.	H	α-helix	trans	-56.4	-47.8	172.8	161.4	-108.5	0	0	0	112.3	P36 M37 F42 K59 Y60 A65 S66 F67	P36-Y63 HydrophobicContact CB-CE1 4.2Å; M37-Y63 HydrophobicContact CB-CE1 4.01Å; M37-Y63 HydrophobicContact CE-CE1 4.44Å; M37-Y63 HydrophobicContact CE-CE2 3.8Å; M37-Y63 PolarHBondContact N-OH 2.88Å; F42-Y63 AromaticContact CD2-CD1 3.71Å; F42-Y63 HydrophobicContact CD2-CD1 3.71Å; F42-Y63 HydrophobicContact CD2-CD2 4.07Å; F42-Y63 HydrophobicContact CD2-CE1 4.34Å; F42-Y63 AromaticContact CD2-CG 3.56Å; F42-Y63 HydrophobicContact CD2-CG 3.56Å; F42-Y63 HydrophobicContact CE2-CD1 4.12Å; F42-Y63 AromaticContact CE2-CD2 4Å; F42-Y63 HydrophobicContact CE2-CD2 4Å; F42-Y63 AromaticContact CE2-CG 3.52Å; F42-Y63 HydrophobicContact CE2-CG 3.52Å; F42-Y63 HydrophobicContact CG-CD1 4.17Å; F42-Y63 HydrophobicContact CG-CG 4.4Å; F42-Y63 HydrophobicContact CZ-CG 4.31Å; K59-Y63 WeakPolarHBondContact O-CB 3.46Å; K59-Y63 PolarHBondContact O-N 3.11Å; Y60-Y63 AromaticContact CD2-CD1 3.89Å; Y60-Y63 HydrophobicContact CD2-CD1 3.89Å; Y60-Y63 HydrophobicContact CE2-CD1 4.06Å; Y60-Y63 HydrophobicContact CE2-CE1 4.34Å; Y63-A65 VanDerWaalsContact C-N 3.3Å; Y63-A65 PolarHBondContact O-N 3.31Å; Y63-S66 PolarHBondContact O-OG 3.46Å; Y63-S66 VanDerWaalsContact O-OG 3.06Å; Y63-F67 HydrophobicContact CE2-CB 4.23Å; Y63-F67 HydrophobicContact CE2-CD2 4.4Å; Y63-F67 WeakPolarHBondContact O-CB 3.15Å; Y63-F67 PolarHBondContact O-N 3.1Å
64	K	87.6	Confident	87.9	Confident	74 Å²	74	58 Å²	58	32%	0.322	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-41.7	176.7	-72.7	165.2	163.5	169.3	0	111.1	Y60 A61 A62 F67 A68 Y1160	Y60-K64 HydrophobicContact CD1-CD 4.43Å; Y60-K64 HydrophobicContact CE1-CD 4.23Å; Y60-K64 HydrophobicContact CE2-CG 4.38Å; Y60-K64 VanDerWaalsContact CZ-CE 3.44Å; Y60-K64 VanDerWaalsContact O-CG 3.28Å; Y60-K64 WeakPolarHBondContact O-CG 3.5Å; Y60-K64 PolarHBondContact O-N 2.69Å; Y60-K64 VanDerWaalsContact O-N 3.07Å; A61-K64 PolarHBondContact O-N 2.97Å; A62-K64 PolarHBondContact O-N 3.4Å; K64-F67 WeakPolarHBondContact O-CB 3.37Å; K64-F67 PolarHBondContact O-N 3.37Å; K64-A68 WeakPolarHBondContact O-CB 3.39Å; K64-A68 PolarHBondContact O-N 2.89Å; K64-Y1160 VanDerWaalsContact CB-OH 3.26Å; K64-Y1160 WeakPolarHBondContact CB-OH 3.08Å; K64-Y1160 PolarHBondContact O-OH 3Å
65	A	85.7	Confident	88	Confident	26 Å²	26	53 Å²	53	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-44.2	-178	0	0	0	0	0	111.8	A61 A62 Y63 A68 R69 Y1160	A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 3.23Å; A62-A65 PolarHBondContact O-N 3.26Å; A62-A65 VanDerWaalsContact O-N 3.16Å; Y63-A65 VanDerWaalsContact C-N 3.3Å; Y63-A65 PolarHBondContact O-N 3.31Å; A65-A68 PolarHBondContact O-N 2.94Å; A65-R69 WeakPolarHBondContact O-CG 3.1Å; A65-R69 PolarHBondContact O-N 3.04Å; A65-Y1160 HydrophobicContact CB-CE1 3.96Å; A65-Y1160 PolarHBondContact N-OH 3.45Å
66	S	87.5	Confident	88.1	Confident	50 Å²	50	50.1 Å²	50.1	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-65.9	-38.3	172.7	58.1	0	0	0	0	112.2	A62 Y63 A68 R69 Q70	A62-S66 PolarHBondContact O-N 2.92Å; A62-S66 PolarHBondContact O-OG 3.09Å; Y63-S66 PolarHBondContact O-OG 3.46Å; Y63-S66 VanDerWaalsContact O-OG 3.06Å; S66-A68 VanDerWaalsContact C-N 3.35Å; S66-A68 PolarHBondContact O-N 2.67Å; S66-R69 PolarHBondContact O-N 2.83Å; S66-Q70 WeakPolarHBondContact O-CB 3.35Å; S66-Q70 PolarHBondContact O-N 3.22Å
67	F	88.4	Confident	88.2	Confident	27 Å²	27	53.6 Å²	53.6	12%	0.118	28%	0.281	C	S	.	.	H	α-helix	trans	-61.5	-39.9	172.4	-178.1	-91.3	0	0	0	112.5	Q34 P36 Y63 K64 Q70 Q71	Q34-F67 HydrophobicContact CB-CE2 4.4Å; Q34-F67 HydrophobicContact CB-CZ 3.83Å; Q34-F67 WeakPolarHBondContact O-CE1 3.5Å; Q34-F67 VanDerWaalsContact O-CZ 3.28Å; Q34-F67 WeakPolarHBondContact O-CZ 3.27Å; P36-F67 HydrophobicContact CB-CD1 3.77Å; P36-F67 HydrophobicContact CB-CE1 3.84Å; P36-F67 HydrophobicContact CB-CG 4.27Å; P36-F67 HydrophobicContact CB-CZ 4.36Å; P36-F67 HydrophobicContact CG-CD1 4.45Å; P36-F67 HydrophobicContact CG-CE1 4.28Å; Y63-F67 HydrophobicContact CE2-CB 4.23Å; Y63-F67 HydrophobicContact CE2-CD2 4.4Å; Y63-F67 WeakPolarHBondContact O-CB 3.15Å; Y63-F67 PolarHBondContact O-N 3.1Å; K64-F67 WeakPolarHBondContact O-CB 3.37Å; K64-F67 PolarHBondContact O-N 3.37Å; F67-Q70 PolarHBondContact O-N 2.88Å; F67-Q71 HydrophobicContact CD1-CG 4.13Å; F67-Q71 HydrophobicContact CE1-CG 3.71Å; F67-Q71 HydrophobicContact CZ-CG 4.06Å; F67-Q71 WeakPolarHBondContact O-CG 3.45Å; F67-Q71 PolarHBondContact O-N 3.4Å
68	A	85.4	Confident	88.1	Confident	18 Å²	18	56.3 Å²	56.3	15%	0.149	28%	0.281	C	S	.	.	H	α-helix	trans	-67.3	-41.5	176	0	0	0	0	0	111.9	K64 A65 S66 Q70 Q71 L72 Y1160	K64-A68 WeakPolarHBondContact O-CB 3.39Å; K64-A68 PolarHBondContact O-N 2.89Å; A65-A68 PolarHBondContact O-N 2.94Å; S66-A68 VanDerWaalsContact C-N 3.35Å; S66-A68 PolarHBondContact O-N 2.67Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 3.08Å; A68-Q71 PolarHBondContact O-N 3.01Å; A68-L72 WeakPolarHBondContact O-CG 3.34Å; A68-L72 PolarHBondContact O-N 3.07Å; A68-Y1160 HydrophobicContact CB-CE2 3.56Å
69	R	88.4	Confident	88	Confident	115 Å²	115	50.7 Å²	50.7	43%	0.434	26%	0.255	S	S	.	.	H	α-helix	trans	-58	-45.5	170.4	-70.3	-169.1	-83.3	134.2	-7.7	111.4	A65 S66 Q71 L72 E73 S984 L985	A65-R69 WeakPolarHBondContact O-CG 3.1Å; A65-R69 PolarHBondContact O-N 3.04Å; S66-R69 PolarHBondContact O-N 2.83Å; R69-Q71 PolarHBondContact O-N 2.83Å; R69-L72 PolarHBondContact O-N 3.2Å; R69-E73 WeakPolarHBondContact O-CB 3.31Å; R69-E73 PolarHBondContact O-N 3.04Å; R69-S984 WeakPolarHBondContact CD-O 3.45Å; R69-L985 WeakPolarHBondContact CG-O 3.46Å
70	Q	88.6	Confident	88.1	Confident	124 Å²	124	49.4 Å²	49.4	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-62.2	-38.8	176.8	-171.1	-179.7	12.1	0	0	113	S66 F67 A68 E73 E74	S66-Q70 WeakPolarHBondContact O-CB 3.35Å; S66-Q70 PolarHBondContact O-N 3.22Å; F67-Q70 PolarHBondContact O-N 2.88Å; A68-Q70 VanDerWaalsContact C-N 3.33Å; A68-Q70 PolarHBondContact O-N 3.08Å; Q70-E73 PolarHBondContact O-N 3.01Å; Q70-E74 VanDerWaalsContact O-CB 3.27Å; Q70-E74 WeakPolarHBondContact O-CB 3.15Å; Q70-E74 PolarHBondContact O-N 3.29Å
71	Q	86	Confident	87.9	Confident	27 Å²	27	55.8 Å²	55.8	13%	0.126	28%	0.28	C	S	.	.	H	α-helix	trans	-69	-32.3	175.4	-70.9	-65.1	-87.7	0	0	112.9	F67 A68 R69 E74 F75	F67-Q71 HydrophobicContact CD1-CG 4.13Å; F67-Q71 HydrophobicContact CE1-CG 3.71Å; F67-Q71 HydrophobicContact CZ-CG 4.06Å; F67-Q71 WeakPolarHBondContact O-CG 3.45Å; F67-Q71 PolarHBondContact O-N 3.4Å; A68-Q71 PolarHBondContact O-N 3.01Å; R69-Q71 PolarHBondContact O-N 2.83Å; Q71-E74 PolarHBondContact NE2-OE2 3.13Å; Q71-F75 WeakPolarHBondContact O-CB 3.27Å; Q71-F75 PolarHBondContact O-N 3.15Å; Q71-F75 VanDerWaalsContact O-N 3.11Å
72	L	87.1	Confident	88	Confident	10 Å²	10	56 Å²	56	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-71.7	-40.7	173.7	-68.4	172.4	0	0	0	111.3	A68 R69 F75 F76 L985 Y1054 L1055 Q1062	A68-L72 WeakPolarHBondContact O-CG 3.34Å; A68-L72 PolarHBondContact O-N 3.07Å; R69-L72 PolarHBondContact O-N 3.2Å; L72-F75 PolarHBondContact O-N 2.91Å; L72-F76 WeakPolarHBondContact O-CB 3.39Å; L72-F76 PolarHBondContact O-N 3.04Å; L72-L985 HydrophobicContact CD1-CB 4.42Å; L72-L985 HydrophobicContact CD1-CD2 4.2Å; L72-Y1054 HydrophobicContact CB-CE1 4.27Å; L72-Y1054 HydrophobicContact CD2-CE1 4.1Å; L72-Y1054 WeakPolarHBondContact CD2-OH 3.43Å; L72-L1055 HydrophobicContact CD1-CD2 3.96Å; L72-Q1062 HydrophobicContact CD2-CG 4.26Å
73	E	89.2	Confident	87.9	Confident	59 Å²	59	53.2 Å²	53.2	28%	0.276	25%	0.248	S	C	.	.	H	α-helix	trans	-61.8	-49.4	173	-169.7	67.4	-127.9	0	0	111.8	R69 Q70 F75 F76 E77 R988	R69-E73 WeakPolarHBondContact O-CB 3.31Å; R69-E73 PolarHBondContact O-N 3.04Å; Q70-E73 PolarHBondContact O-N 3.01Å; E73-F75 VanDerWaalsContact C-N 3.25Å; E73-F75 PolarHBondContact O-N 2.95Å; E73-F76 PolarHBondContact O-N 2.79Å; E73-E77 WeakPolarHBondContact O-CB 3.49Å; E73-E77 PolarHBondContact O-N 3.2Å; E73-R988 IonicContact OE1-CZ 2.67Å; E73-R988 IonicContact OE1-NH2 2.84Å; E73-R988 PolarHBondContact OE1-NH2 2.61Å; E73-R988 IonicContact OE2-CZ 3.98Å; E73-R988 IonicContact OE2-NH2 2.91Å; E73-R988 PolarHBondContact OE2-NH2 3.21Å
74	E	87.8	Confident	87.7	Confident	70 Å²	70	51.8 Å²	51.8	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-59	-36	176.6	-176.5	177.3	-161.9	0	0	111.7	Q70 Q71 R78	Q70-E74 VanDerWaalsContact O-CB 3.27Å; Q70-E74 WeakPolarHBondContact O-CB 3.15Å; Q70-E74 PolarHBondContact O-N 3.29Å; Q71-E74 PolarHBondContact NE2-OE2 3.13Å; E74-R78 WeakPolarHBondContact O-CB 3.39Å; E74-R78 PolarHBondContact O-N 2.87Å
75	F	87.1	Confident	87.9	Confident	16 Å²	16	48.3 Å²	48.3	7%	0.07	23%	0.227	C	C	.	.	H	α-helix	trans	-72.5	-43.3	174.6	-172	-89.1	0	0	0	112.7	Q71 L72 E73 N79 W84 F85 Y1054 P1061 L1063	Q71-F75 WeakPolarHBondContact O-CB 3.27Å; Q71-F75 PolarHBondContact O-N 3.15Å; Q71-F75 VanDerWaalsContact O-N 3.11Å; L72-F75 PolarHBondContact O-N 2.91Å; E73-F75 VanDerWaalsContact C-N 3.25Å; E73-F75 PolarHBondContact O-N 2.95Å; F75-N79 WeakPolarHBondContact CE2-ND2 3.17Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.14Å; F75-N79 WeakPolarHBondContact O-CB 3.05Å; F75-N79 PolarHBondContact O-N 3.15Å; F75-N79 PolarHBondContact O-ND2 2.77Å; F75-W84 HydrophobicContact CZ-CH2 4.29Å; F75-F85 HydrophobicContact CD1-CE2 4.37Å; F75-F85 HydrophobicContact CE1-CD2 4.41Å; F75-F85 AromaticContact CE1-CE2 3.91Å; F75-F85 HydrophobicContact CE1-CE2 3.91Å; F75-Y1054 AromaticContact CD1-CE2 3.95Å; F75-Y1054 HydrophobicContact CD1-CE2 3.95Å; F75-Y1054 AromaticContact CD1-CZ 3.71Å; F75-Y1054 VanDerWaalsContact CD1-OH 3.26Å; F75-Y1054 WeakPolarHBondContact CD1-OH 3.44Å; F75-Y1054 HydrophobicContact CE1-CE2 4.15Å; F75-P1061 HydrophobicContact CE1-CB 3.81Å; F75-P1061 WeakPolarHBondContact CE1-O 3.48Å; F75-P1061 HydrophobicContact CZ-CB 3.57Å; F75-L1063 HydrophobicContact CD2-CD2 3.76Å; F75-L1063 HydrophobicContact CD2-CG 3.9Å; F75-L1063 HydrophobicContact CE2-CD2 4.25Å
76	F	90.4	Very high	88.1	Confident	1 Å²	1	50.3 Å²	50.3	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-54.8	178.2	177	-92.5	0	0	0	111.2	L72 E73 R78 N79 K80 F85 F1050 F1051 Y1054	L72-F76 WeakPolarHBondContact O-CB 3.39Å; L72-F76 PolarHBondContact O-N 3.04Å; E73-F76 PolarHBondContact O-N 2.79Å; F76-R78 PolarHBondContact O-N 3.19Å; F76-N79 PolarHBondContact O-N 3.47Å; F76-K80 HydrophobicContact CE1-CB 4.26Å; F76-K80 HydrophobicContact CE1-CD 4.14Å; F76-K80 HydrophobicContact CZ-CB 4.34Å; F76-K80 WeakPolarHBondContact O-CB 3.41Å; F76-K80 PolarHBondContact O-N 3.47Å; F76-F85 AromaticContact CD2-CE1 3.59Å; F76-F85 HydrophobicContact CD2-CE1 3.59Å; F76-F85 AromaticContact CD2-CZ 3.75Å; F76-F85 HydrophobicContact CD2-CZ 3.75Å; F76-F85 AromaticContact CE2-CE1 3.85Å; F76-F85 HydrophobicContact CE2-CE1 3.85Å; F76-F85 HydrophobicContact CE2-CZ 4.38Å; F76-F85 HydrophobicContact CG-CE1 4.47Å; F76-F1050 HydrophobicContact CE2-CB 4.43Å; F76-F1050 HydrophobicContact CE2-CD1 4.05Å; F76-F1050 AromaticContact CE2-CD2 3.9Å; F76-F1050 HydrophobicContact CE2-CD2 3.9Å; F76-F1050 HydrophobicContact CE2-CE1 4.34Å; F76-F1050 HydrophobicContact CE2-CE2 4.19Å; F76-F1050 AromaticContact CE2-CG 3.83Å; F76-F1050 HydrophobicContact CE2-CG 3.83Å; F76-F1050 HydrophobicContact CE2-CZ 4.42Å; F76-F1050 HydrophobicContact CZ-CB 4.3Å; F76-F1050 AromaticContact CZ-CD1 3.69Å; F76-F1050 HydrophobicContact CZ-CD1 3.69Å; F76-F1050 HydrophobicContact CZ-CD2 4.36Å; F76-F1050 HydrophobicContact CZ-CE1 4.12Å; F76-F1050 AromaticContact CZ-CG 3.84Å; F76-F1050 HydrophobicContact CZ-CG 3.84Å; F76-F1051 HydrophobicContact CB-CD2 4Å; F76-F1051 HydrophobicContact CB-CE2 3.98Å; F76-F1051 AromaticContact CD1-CD2 3.79Å; F76-F1051 HydrophobicContact CD1-CD2 3.79Å; F76-F1051 HydrophobicContact CD1-CE2 4.39Å; F76-F1051 AromaticContact CD2-CD2 3.7Å; F76-F1051 HydrophobicContact CD2-CD2 3.7Å; F76-F1051 HydrophobicContact CD2-CE2 4.49Å; F76-F1051 HydrophobicContact CE1-CB 4.47Å; F76-F1051 HydrophobicContact CE1-CD2 4.16Å; F76-F1051 HydrophobicContact CE2-CB 4.08Å; F76-F1051 HydrophobicContact CE2-CD2 4.09Å; F76-F1051 AromaticContact CG-CD2 3.55Å; F76-F1051 HydrophobicContact CG-CD2 3.55Å; F76-F1051 HydrophobicContact CG-CE2 4.06Å; F76-F1051 HydrophobicContact CZ-CB 4.05Å; F76-F1051 HydrophobicContact CZ-CD2 4.3Å; F76-Y1054 HydrophobicContact CB-CD1 4.32Å; F76-Y1054 HydrophobicContact CB-CE1 4.39Å; F76-Y1054 HydrophobicContact CD2-CD1 4.2Å; F76-Y1054 HydrophobicContact CD2-CG 4.34Å
77	E	88.9	Confident	88.1	Confident	83 Å²	83	49.8 Å²	49.8	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-59	-32.7	-179	-76.7	-67	107.3	0	0	112.6	E73 K80	E73-E77 WeakPolarHBondContact O-CB 3.49Å; E73-E77 PolarHBondContact O-N 3.2Å; E77-K80 WeakPolarHBondContact OE1-CD 3.44Å; E77-K80 WeakPolarHBondContact OE1-CE 3.27Å; E77-K80 IonicContact OE1-NZ 3.92Å; E77-K80 PolarHBondContact OE1-NZ 3.2Å; E77-K80 WeakPolarHBondContact OE2-CE 3.41Å; E77-K80 IonicContact OE2-NZ 3.35Å; E77-K80 PolarHBondContact OE2-NZ 2.96Å
78	R	85.9	Confident	88	Confident	91 Å²	91	51.3 Å²	51.3	34%	0.343	23%	0.228	S	C	.	.	H	α-helix	trans	-74.5	-26.1	176.1	-178.6	168.4	-179.7	163.1	1.2	114.2	Y25 G30 D31 E74 F76	Y25-R78 PolarHBondContact OH-NH2 3.34Å; Y25-R78 VanDerWaalsContact OH-NH2 3.09Å; G30-R78 PolarHBondContact O-NH1 2.75Å; D31-R78 IonicContact OD1-CZ 2.64Å; D31-R78 IonicContact OD1-NH1 3.49Å; D31-R78 PolarHBondContact OD1-NH1 2.84Å; D31-R78 IonicContact OD1-NH2 3.05Å; D31-R78 PolarHBondContact OD1-NH2 3.14Å; D31-R78 IonicContact OD2-NH2 3.2Å; E74-R78 WeakPolarHBondContact O-CB 3.39Å; E74-R78 PolarHBondContact O-N 2.87Å; F76-R78 PolarHBondContact O-N 3.19Å
79	N	86.3	Confident	88.2	Confident	12 Å²	12	50.7 Å²	50.7	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-113.1	-13.8	-172.4	-67.6	-77.4	0	0	0	114.7	F75 F76 E81 Y82 W84 F85	F75-N79 WeakPolarHBondContact CE2-ND2 3.17Å; F75-N79 WeakPolarHBondContact CZ-ND2 3.14Å; F75-N79 WeakPolarHBondContact O-CB 3.05Å; F75-N79 PolarHBondContact O-N 3.15Å; F75-N79 PolarHBondContact O-ND2 2.77Å; F76-N79 PolarHBondContact O-N 3.47Å; N79-E81 PolarHBondContact O-N 3.48Å; N79-Y82 HydrophobicContact CB-CD2 4.13Å; N79-Y82 WeakPolarHBondContact O-CB 3.25Å; N79-Y82 PolarHBondContact O-N 3.21Å; N79-Y82 WeakPolarHBondContact OD1-CD2 3.34Å; N79-W84 HydrophobicContact CB-CZ2 4.32Å; N79-F85 HydrophobicContact CB-CB 4.29Å; N79-F85 HydrophobicContact CB-CD1 4.37Å; N79-F85 HydrophobicContact CB-CD2 4Å; N79-F85 HydrophobicContact CB-CE2 4.44Å; N79-F85 HydrophobicContact CB-CG 3.96Å; N79-F85 WeakPolarHBondContact O-CB 3.46Å
80	K	89.4	Confident	88.2	Confident	55 Å²	55	45.3 Å²	45.3	24%	0.239	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.5	-176.4	66.1	177.7	175.6	-176.6	0	115.5	F76 E77 R86 F1050	F76-K80 HydrophobicContact CE1-CB 4.26Å; F76-K80 HydrophobicContact CE1-CD 4.14Å; F76-K80 HydrophobicContact CZ-CB 4.34Å; F76-K80 WeakPolarHBondContact O-CB 3.41Å; F76-K80 PolarHBondContact O-N 3.47Å; E77-K80 WeakPolarHBondContact OE1-CD 3.44Å; E77-K80 WeakPolarHBondContact OE1-CE 3.27Å; E77-K80 IonicContact OE1-NZ 3.92Å; E77-K80 PolarHBondContact OE1-NZ 3.2Å; E77-K80 WeakPolarHBondContact OE2-CE 3.41Å; E77-K80 IonicContact OE2-NZ 3.35Å; E77-K80 PolarHBondContact OE2-NZ 2.96Å; K80-R86 VanDerWaalsContact O-CG 3.24Å; K80-R86 WeakPolarHBondContact O-CG 3.48Å; K80-F1050 HydrophobicContact CB-CE1 3.8Å; K80-F1050 HydrophobicContact CB-CZ 4.06Å
81	E	88.4	Confident	88.1	Confident	167 Å²	167	41.3 Å²	41.3	78%	0.78	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.7	178.7	-59.8	-173.9	169.2	0	0	112.8	N79	N79-E81 PolarHBondContact O-N 3.48Å
82	Y	89.3	Confident	88	Confident	54 Å²	54	44.4 Å²	44.4	21%	0.212	20%	0.204	C	C	.	.	S	Bend	trans	-76.4	135.3	-178.4	-65.9	-48	0	0	0	112.4	N79 W84 F85 R86 F500 N501	N79-Y82 HydrophobicContact CB-CD2 4.13Å; N79-Y82 WeakPolarHBondContact O-CB 3.25Å; N79-Y82 PolarHBondContact O-N 3.21Å; N79-Y82 WeakPolarHBondContact OD1-CD2 3.34Å; Y82-W84 VanDerWaalsContact C-N 3.33Å; Y82-W84 VanDerWaalsContact CB-CD1 3.5Å; Y82-W84 AromaticContact CD2-NE1 3.77Å; Y82-W84 AromaticContact CG-NE1 3.91Å; Y82-W84 PolarHBondContact O-N 3.16Å; Y82-F85 PolarHBondContact O-N 3.13Å; Y82-F85 VanDerWaalsContact O-N 3.08Å; Y82-R86 PolarHBondContact O-N 3.2Å; Y82-R86 VanDerWaalsContact O-N 3.1Å; Y82-F500 HydrophobicContact CD1-CB 3.78Å; Y82-F500 HydrophobicContact CD2-CB 4.49Å; Y82-F500 HydrophobicContact CE1-CB 4.19Å; Y82-F500 HydrophobicContact CG-CB 3.97Å; Y82-N501 VanDerWaalsContact CD1-OD1 3.27Å; Y82-N501 WeakPolarHBondContact CD1-OD1 3.37Å; Y82-N501 WeakPolarHBondContact CE1-OD1 3.5Å
83	A	87.7	Confident	87.7	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-51.5	-49.3	179.2	0	0	0	0	0	112.4	F85 R86 E87 F500 N501 I502 F503	A83-F85 PolarHBondContact O-N 2.85Å; A83-F85 VanDerWaalsContact O-N 3.12Å; A83-R86 PolarHBondContact O-N 3.25Å; A83-R86 VanDerWaalsContact O-N 3.13Å; A83-E87 WeakPolarHBondContact O-CB 3.06Å; A83-E87 VanDerWaalsContact O-CG 3.24Å; A83-E87 WeakPolarHBondContact O-CG 3.45Å; A83-E87 PolarHBondContact O-N 3.47Å; A83-F500 PolarHBondContact N-O 3.45Å; A83-F500 VanDerWaalsContact N-O 3.12Å; A83-N501 WeakPolarHBondContact CB-O 3.47Å; A83-I502 VanDerWaalsContact CB-C 3.48Å; A83-I502 WeakPolarHBondContact CB-O 3.45Å; A83-F503 HydrophobicContact CB-CB 4.37Å; A83-F503 HydrophobicContact CB-CD1 3.64Å; A83-F503 HydrophobicContact CB-CD2 3.74Å; A83-F503 HydrophobicContact CB-CE1 3.74Å; A83-F503 HydrophobicContact CB-CE2 3.83Å; A83-F503 HydrophobicContact CB-CG 3.64Å; A83-F503 HydrophobicContact CB-CZ 3.83Å
84	W	87.8	Confident	86.9	Confident	8 Å²	8	47.8 Å²	47.8	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-31.6	-178.7	78.7	-90.6	0	0	0	114.1	F75 N79 Y82 K88 P525 P1061	F75-W84 HydrophobicContact CZ-CH2 4.29Å; N79-W84 HydrophobicContact CB-CZ2 4.32Å; Y82-W84 VanDerWaalsContact C-N 3.33Å; Y82-W84 VanDerWaalsContact CB-CD1 3.5Å; Y82-W84 AromaticContact CD2-NE1 3.77Å; Y82-W84 AromaticContact CG-NE1 3.91Å; Y82-W84 PolarHBondContact O-N 3.16Å; W84-K88 PolarHBondContact O-N 2.76Å; W84-P525 HydrophobicContact CD2-CG 3.67Å; W84-P525 HydrophobicContact CE3-CG 3.97Å; W84-P525 HydrophobicContact CG-CG 4.14Å; W84-P525 HydrophobicContact CH2-CG 4.24Å; W84-P525 HydrophobicContact CZ2-CG 3.98Å; W84-P525 HydrophobicContact CZ3-CG 4.24Å; W84-P1061 HydrophobicContact CH2-CB 4.16Å; W84-P1061 HydrophobicContact CH2-CG 4.06Å; W84-P1061 HydrophobicContact CZ3-CG 4.01Å
85	F	90.3	Very high	85.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-85.5	-34.3	-178.1	-170.3	-94	0	0	0	111.1	F75 F76 N79 Y82 A83 K88 Y89 F1050 Y1054	F75-F85 HydrophobicContact CD1-CE2 4.37Å; F75-F85 HydrophobicContact CE1-CD2 4.41Å; F75-F85 AromaticContact CE1-CE2 3.91Å; F75-F85 HydrophobicContact CE1-CE2 3.91Å; F76-F85 AromaticContact CD2-CE1 3.59Å; F76-F85 HydrophobicContact CD2-CE1 3.59Å; F76-F85 AromaticContact CD2-CZ 3.75Å; F76-F85 HydrophobicContact CD2-CZ 3.75Å; F76-F85 AromaticContact CE2-CE1 3.85Å; F76-F85 HydrophobicContact CE2-CE1 3.85Å; F76-F85 HydrophobicContact CE2-CZ 4.38Å; F76-F85 HydrophobicContact CG-CE1 4.47Å; N79-F85 HydrophobicContact CB-CB 4.29Å; N79-F85 HydrophobicContact CB-CD1 4.37Å; N79-F85 HydrophobicContact CB-CD2 4Å; N79-F85 HydrophobicContact CB-CE2 4.44Å; N79-F85 HydrophobicContact CB-CG 3.96Å; N79-F85 WeakPolarHBondContact O-CB 3.46Å; Y82-F85 PolarHBondContact O-N 3.13Å; Y82-F85 VanDerWaalsContact O-N 3.08Å; A83-F85 PolarHBondContact O-N 2.85Å; A83-F85 VanDerWaalsContact O-N 3.12Å; F85-K88 PolarHBondContact O-N 3.13Å; F85-Y89 HydrophobicContact CD1-CD2 4.33Å; F85-Y89 AromaticContact CD2-CD2 3.83Å; F85-Y89 HydrophobicContact CD2-CD2 3.83Å; F85-Y89 AromaticContact CD2-CE2 3.81Å; F85-Y89 HydrophobicContact CD2-CE2 3.81Å; F85-Y89 HydrophobicContact CE1-CD2 4.13Å; F85-Y89 AromaticContact CE2-CD2 3.58Å; F85-Y89 HydrophobicContact CE2-CD2 3.58Å; F85-Y89 AromaticContact CE2-CE2 3.52Å; F85-Y89 HydrophobicContact CE2-CE2 3.52Å; F85-Y89 HydrophobicContact CG-CD2 4.2Å; F85-Y89 AromaticContact CZ-CD2 3.75Å; F85-Y89 HydrophobicContact CZ-CD2 3.75Å; F85-Y89 HydrophobicContact CZ-CE2 4.11Å; F85-Y89 PolarHBondContact O-N 2.92Å; F85-F1050 AromaticContact CD1-CE2 3.63Å; F85-F1050 HydrophobicContact CD1-CE2 3.63Å; F85-F1050 AromaticContact CD1-CZ 3.65Å; F85-F1050 HydrophobicContact CD1-CZ 3.65Å; F85-F1050 HydrophobicContact CE1-CD2 4.47Å; F85-F1050 AromaticContact CE1-CE2 3.63Å; F85-F1050 HydrophobicContact CE1-CE2 3.63Å; F85-F1050 AromaticContact CE1-CZ 3.89Å; F85-F1050 HydrophobicContact CE1-CZ 3.89Å; F85-Y1054 AromaticContact CE2-CD2 3.67Å; F85-Y1054 HydrophobicContact CE2-CD2 3.67Å; F85-Y1054 AromaticContact CE2-CE2 3.9Å; F85-Y1054 HydrophobicContact CE2-CE2 3.9Å; F85-Y1054 HydrophobicContact CE2-CG 4.42Å; F85-Y1054 AromaticContact CZ-CD2 3.58Å; F85-Y1054 HydrophobicContact CZ-CD2 3.58Å; F85-Y1054 HydrophobicContact CZ-CE2 4.09Å; F85-Y1054 AromaticContact CZ-CG 3.86Å; F85-Y1054 HydrophobicContact CZ-CG 3.86Å
86	R	89.9	Confident	84.8	Confident	68 Å²	68	53.5 Å²	53.5	26%	0.257	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-47.9	169.7	-63.1	-173	76.9	176.7	7.9	110.8	K80 Y82 A83 K88 Y89 H90 Y93 F1050	K80-R86 VanDerWaalsContact O-CG 3.24Å; K80-R86 WeakPolarHBondContact O-CG 3.48Å; Y82-R86 PolarHBondContact O-N 3.2Å; Y82-R86 VanDerWaalsContact O-N 3.1Å; A83-R86 PolarHBondContact O-N 3.25Å; A83-R86 VanDerWaalsContact O-N 3.13Å; R86-K88 PolarHBondContact O-N 3.46Å; R86-K88 VanDerWaalsContact O-N 3.08Å; R86-Y89 PolarHBondContact O-N 2.96Å; R86-H90 HydrophobicContact CB-CB 4Å; R86-H90 PolarHBondContact NH2-NE2 2.74Å; R86-H90 WeakPolarHBondContact O-CB 3.21Å; R86-H90 PolarHBondContact O-N 2.85Å; R86-Y93 HydrophobicContact CB-CD2 4.32Å; R86-F1050 HydrophobicContact CG-CE1 4.41Å; R86-F1050 HydrophobicContact CG-CZ 3.86Å
87	E	87.9	Confident	83.7	Confident	39 Å²	39	57.6 Å²	57.6	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-54.7	-27.3	176.3	-71.4	175.5	143.2	0	0	113.9	A83 F503 K504 R555	A83-E87 WeakPolarHBondContact O-CB 3.06Å; A83-E87 VanDerWaalsContact O-CG 3.24Å; A83-E87 WeakPolarHBondContact O-CG 3.45Å; A83-E87 PolarHBondContact O-N 3.47Å; E87-F503 HydrophobicContact CG-CD1 3.89Å; E87-F503 VanDerWaalsContact OE1-CA 3.24Å; E87-F503 WeakPolarHBondContact OE1-CA 3.43Å; E87-F503 WeakPolarHBondContact OE1-CB 3.04Å; E87-K504 WeakPolarHBondContact OE1-CB 3.37Å; E87-K504 PolarHBondContact OE1-N 2.99Å; E87-R555 IonicContact OE2-CZ 3.9Å; E87-R555 IonicContact OE2-NH1 3.64Å; E87-R555 IonicContact OE2-NH2 3.65Å; E87-R555 PolarHBondContact OE2-NH2 3.15Å
88	K	86.3	Confident	82.8	Confident	59 Å²	59	56.2 Å²	56.2	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-95.5	-24.1	-177.5	-165.2	174.8	176.9	-165.6	0	115	W84 F85 R86 L94 D524 D1057	W84-K88 PolarHBondContact O-N 2.76Å; F85-K88 PolarHBondContact O-N 3.13Å; R86-K88 PolarHBondContact O-N 3.46Å; R86-K88 VanDerWaalsContact O-N 3.08Å; K88-L94 WeakPolarHBondContact O-CD2 3.45Å; K88-D524 IonicContact NZ-OD2 2.68Å; K88-D524 PolarHBondContact NZ-OD2 3.34Å; K88-D1057 IonicContact NZ-OD2 2.96Å; K88-D1057 PolarHBondContact NZ-OD2 2.75Å
89	Y	89.6	Confident	82.3	Confident	6 Å²	6	53.4 Å²	53.4	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-137.7	-17.8	-172.1	-54.6	-67	0	0	0	115.8	F85 R86 N1053 Y1054 D1057 P1061	F85-Y89 HydrophobicContact CD1-CD2 4.33Å; F85-Y89 AromaticContact CD2-CD2 3.83Å; F85-Y89 HydrophobicContact CD2-CD2 3.83Å; F85-Y89 AromaticContact CD2-CE2 3.81Å; F85-Y89 HydrophobicContact CD2-CE2 3.81Å; F85-Y89 HydrophobicContact CE1-CD2 4.13Å; F85-Y89 AromaticContact CE2-CD2 3.58Å; F85-Y89 HydrophobicContact CE2-CD2 3.58Å; F85-Y89 AromaticContact CE2-CE2 3.52Å; F85-Y89 HydrophobicContact CE2-CE2 3.52Å; F85-Y89 HydrophobicContact CG-CD2 4.2Å; F85-Y89 AromaticContact CZ-CD2 3.75Å; F85-Y89 HydrophobicContact CZ-CD2 3.75Å; F85-Y89 HydrophobicContact CZ-CE2 4.11Å; F85-Y89 PolarHBondContact O-N 2.92Å; R86-Y89 PolarHBondContact O-N 2.96Å; Y89-N1053 HydrophobicContact CD1-CB 4.5Å; Y89-N1053 WeakPolarHBondContact O-CB 3.31Å; Y89-N1053 PolarHBondContact O-ND2 3.33Å; Y89-Y1054 HydrophobicContact CD2-CD2 4.18Å; Y89-Y1054 HydrophobicContact CE1-CD2 4.46Å; Y89-Y1054 AromaticContact CE2-CD2 3.83Å; Y89-Y1054 HydrophobicContact CE2-CD2 3.83Å; Y89-Y1054 AromaticContact CZ-CD2 3.98Å; Y89-D1057 HydrophobicContact CE1-CB 3.73Å; Y89-D1057 VanDerWaalsContact CE1-OD2 3.31Å; Y89-D1057 WeakPolarHBondContact CE1-OD2 3.38Å; Y89-D1057 PolarHBondContact OH-OD2 3.37Å; Y89-P1061 WeakPolarHBondContact OH-CD 3.21Å
90	H	88.5	Confident	81.8	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.286	C	S	.	.			trans	-81.3	127.9	-175.6	-175.7	-71.9	0	0	0	110	R86 D92 Y93 L94 D1046 F1050	R86-H90 HydrophobicContact CB-CB 4Å; R86-H90 PolarHBondContact NH2-NE2 2.74Å; R86-H90 WeakPolarHBondContact O-CB 3.21Å; R86-H90 PolarHBondContact O-N 2.85Å; H90-D92 VanDerWaalsContact C-N 3.29Å; H90-D92 IonicContact CE1-OD2 3.22Å; H90-D92 PolarHBondContact CE1-OD2 3.24Å; H90-D92 PolarHBondContact ND1-N 3.28Å; H90-D92 PolarHBondContact O-N 3.29Å; H90-D92 VanDerWaalsContact O-N 3.12Å; H90-Y93 HydrophobicContact CB-CD2 4.16Å; H90-Y93 AromaticContact CG-CD2 3.95Å; H90-Y93 AromaticContact ND1-CD2 3.52Å; H90-Y93 AromaticContact ND1-CE2 3.97Å; H90-Y93 PolarHBondContact O-N 3.27Å; H90-L94 PolarHBondContact O-N 3Å; H90-L94 VanDerWaalsContact O-N 3.16Å; H90-D1046 IonicContact CD2-OD1 2.59Å; H90-D1046 IonicContact NE2-OD1 2.81Å; H90-D1046 PolarHBondContact NE2-OD1 3.27Å; H90-F1050 HydrophobicContact CB-CD1 4.46Å; H90-F1050 HydrophobicContact CB-CD2 3.85Å; H90-F1050 HydrophobicContact CB-CE1 4.44Å; H90-F1050 HydrophobicContact CB-CE2 3.83Å; H90-F1050 HydrophobicContact CB-CG 4.17Å; H90-F1050 HydrophobicContact CB-CZ 4.13Å; H90-F1050 AromaticContact CD2-CD1 3.75Å; H90-F1050 AromaticContact CD2-CE1 3.81Å
91	P	86.7	Confident	81.4	Confident	40 Å²	40	57.3 Å²	57.3	26%	0.26	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-53.6	-41.8	-170.6	18.9	-31.9	0	0	0	113.6	Y93 L94 K1045	P91-Y93 PolarHBondContact O-N 3.03Å; P91-Y93 VanDerWaalsContact O-N 3.14Å; P91-L94 PolarHBondContact O-N 3.2Å; P91-K1045 HydrophobicContact CG-CB 3.7Å; P91-K1045 HydrophobicContact CG-CD 4.24Å; P91-K1045 HydrophobicContact CG-CG 3.72Å
92	D	84.5	Confident	81.3	Confident	93 Å²	93	55.8 Å²	55.8	50%	0.497	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-71.6	-2.4	-179.3	-53.2	-18.6	0	0	0	115.7	H90 K1045	H90-D92 VanDerWaalsContact C-N 3.29Å; H90-D92 IonicContact CE1-OD2 3.22Å; H90-D92 PolarHBondContact CE1-OD2 3.24Å; H90-D92 PolarHBondContact ND1-N 3.28Å; H90-D92 PolarHBondContact O-N 3.29Å; H90-D92 VanDerWaalsContact O-N 3.12Å; D92-K1045 WeakPolarHBondContact OD1-CD 3.46Å; D92-K1045 VanDerWaalsContact OD1-CE 3.28Å; D92-K1045 WeakPolarHBondContact OD1-CE 3.46Å; D92-K1045 IonicContact OD1-NZ 2.7Å; D92-K1045 PolarHBondContact OD1-NZ 3.25Å; D92-K1045 IonicContact OD2-NZ 3.91Å
93	Y	79.8	Confident	81.1	Confident	66 Å²	66	54.9 Å²	54.9	26%	0.259	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-127.4	-3.2	178.6	-63.8	-96.6	0	0	0	113.2	R86 H90 P91 T95 F503	R86-Y93 HydrophobicContact CB-CD2 4.32Å; H90-Y93 HydrophobicContact CB-CD2 4.16Å; H90-Y93 AromaticContact CG-CD2 3.95Å; H90-Y93 AromaticContact ND1-CD2 3.52Å; H90-Y93 AromaticContact ND1-CE2 3.97Å; H90-Y93 PolarHBondContact O-N 3.27Å; P91-Y93 PolarHBondContact O-N 3.03Å; P91-Y93 VanDerWaalsContact O-N 3.14Å; Y93-T95 PolarHBondContact O-N 2.86Å; Y93-F503 HydrophobicContact CD1-CD1 4.14Å; Y93-F503 AromaticContact CD1-CE1 3.92Å; Y93-F503 HydrophobicContact CD1-CE1 3.92Å; Y93-F503 AromaticContact CE1-CD1 3.85Å; Y93-F503 HydrophobicContact CE1-CD1 3.85Å; Y93-F503 AromaticContact CE1-CE1 3.41Å; Y93-F503 HydrophobicContact CE1-CE1 3.41Å; Y93-F503 VanDerWaalsContact CE1-CE1 3.41Å; Y93-F503 HydrophobicContact CE1-CZ 4.17Å; Y93-F503 AromaticContact CZ-CE1 3.9Å
94	L	73.2	Confident	81.1	Confident	73 Å²	73	56.9 Å²	56.9	38%	0.382	30%	0.295	S	S	.	.	S	Bend	trans	-66.2	126.7	176.1	-78.9	176.1	0	0	0	109.6	K88 H90 P91 E96	K88-L94 WeakPolarHBondContact O-CD2 3.45Å; H90-L94 PolarHBondContact O-N 3Å; H90-L94 VanDerWaalsContact O-N 3.16Å; P91-L94 PolarHBondContact O-N 3.2Å; L94-E96 PolarHBondContact O-N 2.85Å
95	T	66.3	Low	81.2	Confident	79 Å²	79	61.5 Å²	61.5	49%	0.485	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-60.7	125.2	167.1	-54.3	0	0	0	0	109	Y93	Y93-T95 PolarHBondContact O-N 2.86Å
96	E	63.8	Low	81.2	Confident	127 Å²	127	66.4 Å²	66.4	59%	0.593	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-49.7	130.5	179.3	-78.4	-67.9	158	0	0	111.6	L94 S98 S99	L94-E96 PolarHBondContact O-N 2.85Å; E96-S98 PolarHBondContact O-N 2.74Å; E96-S98 VanDerWaalsContact O-N 3.09Å; E96-S99 WeakPolarHBondContact O-CB 3.49Å; E96-S99 PolarHBondContact O-N 3Å
97	P	67.8	Low	81.4	Confident	88 Å²	88	63.2 Å²	63.2	57%	0.571	32%	0.324	S	S	*	.	H	α-helix	trans	-61.3	-24.3	-178.2	23.9	-33.9	0	0	0	112.3	S99 S100 M101	P97-S99 VanDerWaalsContact C-N 3.3Å; P97-S99 PolarHBondContact O-N 3.42Å; P97-S100 WeakPolarHBondContact O-CB 3.43Å; P97-S100 PolarHBondContact O-N 2.75Å; P97-S100 VanDerWaalsContact O-N 3.15Å; P97-M101 WeakPolarHBondContact O-CG 3.36Å; P97-M101 PolarHBondContact O-N 3.45Å
98	S	68.9	Low	81.6	Confident	54 Å²	54	62.3 Å²	62.3	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-58.8	-37.1	173.2	62.2	0	0	0	0	112.9	E96 M101 K102	E96-S98 PolarHBondContact O-N 2.74Å; E96-S98 VanDerWaalsContact O-N 3.09Å; S98-M101 PolarHBondContact O-N 2.85Å; S98-K102 WeakPolarHBondContact O-CG 3.46Å; S98-K102 PolarHBondContact O-N 3.3Å
99	S	75.6	Confident	81.9	Confident	31 Å²	31	63.5 Å²	63.5	22%	0.217	33%	0.326	C	S	.	.	H	α-helix	trans	-68.7	-35.1	175.8	-60.2	0	0	0	0	112	E96 P97 L103	E96-S99 WeakPolarHBondContact O-CB 3.49Å; E96-S99 PolarHBondContact O-N 3Å; P97-S99 VanDerWaalsContact C-N 3.3Å; P97-S99 PolarHBondContact O-N 3.42Å; S99-L103 PolarHBondContact O-N 2.89Å
100	S	75.4	Confident	82	Confident	54 Å²	54	63.2 Å²	63.2	38%	0.378	33%	0.325	S	S	.	.	H	α-helix	trans	-69.9	-39.5	173.5	-62	0	0	0	0	111.9	P97 L103 F104	P97-S100 WeakPolarHBondContact O-CB 3.43Å; P97-S100 PolarHBondContact O-N 2.75Å; P97-S100 VanDerWaalsContact O-N 3.15Å; S100-L103 WeakPolarHBondContact O-CB 3.24Å; S100-L103 PolarHBondContact O-N 3.25Å; S100-F104 WeakPolarHBondContact O-CD2 3.23Å; S100-F104 PolarHBondContact O-N 2.99Å
101	M	81.5	Confident	82.3	Confident	95 Å²	95	63.2 Å²	63.2	47%	0.468	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-45.5	174.8	-70.1	179.9	72.1	0	0	111.7	P97 S98 L103 F104 Q105	P97-M101 WeakPolarHBondContact O-CG 3.36Å; P97-M101 PolarHBondContact O-N 3.45Å; S98-M101 PolarHBondContact O-N 2.85Å; M101-L103 VanDerWaalsContact C-N 3.28Å; M101-L103 PolarHBondContact O-N 3.1Å; M101-F104 PolarHBondContact O-N 2.86Å; M101-Q105 WeakPolarHBondContact O-CB 3.45Å; M101-Q105 PolarHBondContact O-N 2.95Å
102	K	85.6	Confident	82.5	Confident	136 Å²	136	62.8 Å²	62.8	59%	0.591	32%	0.32	S	S	*	.	H	α-helix	trans	-56	-40.3	174.6	-74.7	172.2	-179.8	-179.9	0	112.6	S98 Q105 R106	S98-K102 WeakPolarHBondContact O-CG 3.46Å; S98-K102 PolarHBondContact O-N 3.3Å; K102-Q105 PolarHBondContact O-N 2.67Å; K102-R106 WeakPolarHBondContact O-CB 3.47Å; K102-R106 PolarHBondContact O-N 2.92Å
103	L	86.4	Confident	82.9	Confident	34 Å²	34	60.9 Å²	60.9	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-45.9	176.8	-110.4	177.1	0	0	0	112.4	S99 S100 M101 R106 R107 L426 D922	S99-L103 PolarHBondContact O-N 2.89Å; S100-L103 WeakPolarHBondContact O-CB 3.24Å; S100-L103 PolarHBondContact O-N 3.25Å; M101-L103 VanDerWaalsContact C-N 3.28Å; M101-L103 PolarHBondContact O-N 3.1Å; L103-R106 PolarHBondContact O-N 2.98Å; L103-R107 PolarHBondContact O-N 2.94Å; L103-L426 HydrophobicContact CD1-CD1 3.84Å; L103-L426 HydrophobicContact CD1-CD2 3.8Å; L103-L426 HydrophobicContact CD2-CD1 4.06Å; L103-L426 HydrophobicContact CG-CD1 3.96Å; L103-L426 HydrophobicContact CG-CD2 4.06Å; L103-D922 HydrophobicContact CD1-CB 4.03Å; L103-D922 HydrophobicContact CD2-CB 3.76Å
104	F	88	Confident	83.5	Confident	44 Å²	44	57.7 Å²	57.7	19%	0.193	30%	0.296	C	S	.	.	H	α-helix	trans	-73.2	-32.3	178.9	-57.5	-43.1	0	0	0	112.7	S100 M101 R107 L108 R662 L664	S100-F104 WeakPolarHBondContact O-CD2 3.23Å; S100-F104 PolarHBondContact O-N 2.99Å; M101-F104 PolarHBondContact O-N 2.86Å; F104-R107 PolarHBondContact O-N 3.11Å; F104-L108 WeakPolarHBondContact O-CB 3.49Å; F104-L108 PolarHBondContact O-N 3.43Å; F104-R662 HydrophobicContact CD2-CB 4.37Å; F104-R662 HydrophobicContact CD2-CG 4.1Å; F104-R662 HydrophobicContact CE2-CG 4.26Å; F104-L664 HydrophobicContact CB-CD1 4.28Å; F104-L664 HydrophobicContact CB-CD2 3.85Å; F104-L664 HydrophobicContact CB-CG 4.46Å
105	Q	89.7	Confident	84.3	Confident	105 Å²	105	58.5 Å²	58.5	49%	0.491	29%	0.294	S	S	.	.	H	α-helix	trans	-61.4	-46.1	169.9	-175.9	173.4	1.4	0	0	110.8	M101 K102 R107 L108 E109	M101-Q105 WeakPolarHBondContact O-CB 3.45Å; M101-Q105 PolarHBondContact O-N 2.95Å; K102-Q105 PolarHBondContact O-N 2.67Å; Q105-R107 PolarHBondContact O-N 3.06Å; Q105-L108 CarbonylContact O-C 3.38Å; Q105-L108 WeakPolarHBondContact O-CA 3.21Å; Q105-L108 WeakPolarHBondContact O-CB 3.44Å; Q105-L108 PolarHBondContact O-N 3.05Å; Q105-E109 WeakPolarHBondContact O-CG 3.22Å; Q105-E109 PolarHBondContact O-N 3.01Å
106	R	90.5	Very high	85.5	Confident	102 Å²	102	64.4 Å²	64.4	39%	0.385	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-37.9	176.1	-176.1	56.7	-174	156.9	8.4	113	K102 L103 L108 E109 I110	K102-R106 WeakPolarHBondContact O-CB 3.47Å; K102-R106 PolarHBondContact O-N 2.92Å; L103-R106 PolarHBondContact O-N 2.98Å; R106-L108 VanDerWaalsContact C-N 3.33Å; R106-E109 WeakPolarHBondContact CD-OE2 3.45Å; R106-E109 IonicContact CZ-OE2 3.72Å; R106-E109 IonicContact NE-OE2 3.26Å; R106-E109 IonicContact NH1-OE2 3.1Å; R106-E109 PolarHBondContact NH1-OE2 3.35Å; R106-E109 PolarHBondContact O-N 3.17Å; R106-I110 HydrophobicContact CG-CD1 4.23Å; R106-I110 WeakPolarHBondContact O-CG1 3.36Å; R106-I110 PolarHBondContact O-N 3.08Å; R106-I110 VanDerWaalsContact O-N 3.14Å
107	R	93.2	Very high	86.7	Confident	1 Å²	1	62.6 Å²	62.6	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-36.8	171.2	-76.8	175	165.6	-110.7	5	112.6	L103 F104 Q105 F111 L144 I906 S909 E921 D922	L103-R107 PolarHBondContact O-N 2.94Å; F104-R107 PolarHBondContact O-N 3.11Å; Q105-R107 PolarHBondContact O-N 3.06Å; R107-F111 WeakPolarHBondContact O-CB 3.48Å; R107-F111 PolarHBondContact O-N 2.73Å; R107-L144 HydrophobicContact CG-CD2 3.8Å; R107-I906 WeakPolarHBondContact CD-O 3.48Å; R107-I906 PolarHBondContact NH1-O 3.41Å; R107-S909 VanDerWaalsContact CZ-OG 3.32Å; R107-S909 PolarHBondContact NH1-OG 2.93Å; R107-S909 PolarHBondContact NH2-OG 2.54Å; R107-E921 IonicContact CZ-OE2 3.89Å; R107-E921 IonicContact NH1-OE2 3.82Å; R107-E921 PolarHBondContact NH1-OE2 3.41Å; R107-E921 VanDerWaalsContact NH1-OE2 3.08Å; R107-E921 IonicContact NH2-OE2 2.92Å; R107-E921 PolarHBondContact NH2-OE2 3.14Å; R107-D922 IonicContact CZ-OD1 3.1Å; R107-D922 IonicContact CZ-OD2 2.73Å; R107-D922 VanDerWaalsContact NE-CG 3.33Å; R107-D922 IonicContact NE-OD1 3.23Å; R107-D922 PolarHBondContact NE-OD1 3.4Å; R107-D922 IonicContact NE-OD2 2.68Å; R107-D922 PolarHBondContact NE-OD2 3.2Å; R107-D922 VanDerWaalsContact NE-OD2 3.08Å; R107-D922 VanDerWaalsContact NH2-CG 3.28Å; R107-D922 IonicContact NH2-OD1 3.83Å; R107-D922 PolarHBondContact NH2-OD1 3.13Å; R107-D922 IonicContact NH2-OD2 3.91Å; R107-D922 PolarHBondContact NH2-OD2 3.37Å
108	L	92.5	Very high	87.7	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.105	29%	0.288	C	S	.	.	H	α-helix	trans	-69.9	-40.8	176.5	-178.9	59.8	0	0	0	112.1	F104 Q105 R106 F111 M112 L664 W665 Y903 V907	F104-L108 WeakPolarHBondContact O-CB 3.49Å; F104-L108 PolarHBondContact O-N 3.43Å; Q105-L108 CarbonylContact O-C 3.38Å; Q105-L108 WeakPolarHBondContact O-CA 3.21Å; Q105-L108 WeakPolarHBondContact O-CB 3.44Å; Q105-L108 PolarHBondContact O-N 3.05Å; R106-L108 VanDerWaalsContact C-N 3.33Å; L108-F111 PolarHBondContact O-N 3.36Å; L108-M112 HydrophobicContact CD1-CE 4.15Å; L108-M112 HydrophobicContact CD1-CG 4.42Å; L108-M112 WeakPolarHBondContact O-CB 3.46Å; L108-M112 VanDerWaalsContact O-CG 3.29Å; L108-M112 WeakPolarHBondContact O-CG 3.49Å; L108-M112 PolarHBondContact O-N 3.04Å; L108-L664 HydrophobicContact CD2-CB 4.31Å; L108-L664 HydrophobicContact CD2-CD2 4.39Å; L108-W665 HydrophobicContact CD1-CZ2 4.2Å; L108-W665 HydrophobicContact CD2-CZ2 4.19Å; L108-Y903 HydrophobicContact CD1-CE2 3.6Å; L108-V907 HydrophobicContact CB-CG1 4.2Å; L108-V907 HydrophobicContact CD1-CG1 4.45Å; L108-V907 HydrophobicContact CD1-CG2 4.19Å
109	E	92.7	Very high	88.5	Confident	84 Å²	84	59.3 Å²	59.3	39%	0.393	28%	0.279	S	S	.	.	H	α-helix	trans	-55.5	-51.6	171.7	-72.1	163.5	-157.3	0	0	111.3	Q105 R106 F111 M112 E113	Q105-E109 WeakPolarHBondContact O-CG 3.22Å; Q105-E109 PolarHBondContact O-N 3.01Å; R106-E109 WeakPolarHBondContact CD-OE2 3.45Å; R106-E109 IonicContact CZ-OE2 3.72Å; R106-E109 IonicContact NE-OE2 3.26Å; R106-E109 IonicContact NH1-OE2 3.1Å; R106-E109 PolarHBondContact NH1-OE2 3.35Å; R106-E109 PolarHBondContact O-N 3.17Å; E109-F111 VanDerWaalsContact C-N 3.33Å; E109-F111 PolarHBondContact O-N 3.16Å; E109-M112 PolarHBondContact O-N 3.31Å; E109-M112 VanDerWaalsContact O-N 3.12Å; E109-E113 PolarHBondContact O-N 3Å
110	I	92.4	Very high	89.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-39.1	179.5	-67.3	164.6	0	0	0	110.8	R106 M112 E113 F114 K143 L144	R106-I110 HydrophobicContact CG-CD1 4.23Å; R106-I110 WeakPolarHBondContact O-CG1 3.36Å; R106-I110 PolarHBondContact O-N 3.08Å; R106-I110 VanDerWaalsContact O-N 3.14Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 3.4Å; I110-E113 PolarHBondContact O-N 3.24Å; I110-F114 HydrophobicContact CG2-CD2 3.96Å; I110-F114 HydrophobicContact CG2-CE2 3.82Å; I110-F114 WeakPolarHBondContact O-CD2 3.32Å; I110-F114 PolarHBondContact O-N 3.47Å; I110-K143 HydrophobicContact CD1-CB 4.29Å; I110-K143 HydrophobicContact CG1-CB 4.37Å; I110-K143 HydrophobicContact CG2-CB 4.19Å; I110-L144 HydrophobicContact CD1-CD2 3.6Å; I110-L144 HydrophobicContact CD1-CG 3.89Å
111	F	93.6	Very high	89.3	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-40.5	173.4	-173.9	-89.1	0	0	0	112.2	R107 L108 E109 F114 Y115 F120 F822 L902 Y903 I906 V907	R107-F111 WeakPolarHBondContact O-CB 3.48Å; R107-F111 PolarHBondContact O-N 2.73Å; L108-F111 PolarHBondContact O-N 3.36Å; E109-F111 VanDerWaalsContact C-N 3.33Å; E109-F111 PolarHBondContact O-N 3.16Å; F111-F114 PolarHBondContact O-N 2.91Å; F111-Y115 WeakPolarHBondContact O-CB 3.38Å; F111-Y115 PolarHBondContact O-N 2.87Å; F111-F120 HydrophobicContact CD2-CE2 4.03Å; F111-F120 AromaticContact CD2-CZ 3.68Å; F111-F120 HydrophobicContact CD2-CZ 3.68Å; F111-F120 HydrophobicContact CE1-CE2 4.23Å; F111-F120 HydrophobicContact CE2-CE1 4.32Å; F111-F120 AromaticContact CE2-CE2 3.66Å; F111-F120 HydrophobicContact CE2-CE2 3.66Å; F111-F120 AromaticContact CE2-CZ 3.5Å; F111-F120 HydrophobicContact CE2-CZ 3.5Å; F111-F120 HydrophobicContact CG-CE2 4.47Å; F111-F120 HydrophobicContact CG-CZ 4.43Å; F111-F120 HydrophobicContact CZ-CD2 4.47Å; F111-F120 AromaticContact CZ-CE2 3.78Å; F111-F120 HydrophobicContact CZ-CE2 3.78Å; F111-F120 HydrophobicContact CZ-CZ 4.12Å; F111-F822 HydrophobicContact CD1-CE2 4.06Å; F111-F822 HydrophobicContact CD1-CZ 4.31Å; F111-F822 HydrophobicContact CE1-CD2 4.29Å; F111-F822 HydrophobicContact CE1-CE1 4.4Å; F111-F822 AromaticContact CE1-CE2 3.59Å; F111-F822 HydrophobicContact CE1-CE2 3.59Å; F111-F822 AromaticContact CE1-CZ 3.67Å; F111-F822 HydrophobicContact CE1-CZ 3.67Å; F111-L902 HydrophobicContact CE2-CB 4.14Å; F111-Y903 AromaticContact CD1-CD2 3.76Å; F111-Y903 HydrophobicContact CD1-CD2 3.76Å; F111-Y903 HydrophobicContact CD1-CE2 4.3Å; F111-Y903 AromaticContact CE1-CD2 3.65Å; F111-Y903 HydrophobicContact CE1-CD2 3.65Å; F111-Y903 HydrophobicContact CG-CD2 4.27Å; F111-Y903 HydrophobicContact CZ-CD2 4.04Å; F111-Y903 HydrophobicContact CZ-CG 4.5Å; F111-I906 HydrophobicContact CB-CG2 4.2Å; F111-I906 HydrophobicContact CD2-CB 4Å; F111-I906 HydrophobicContact CD2-CD1 3.9Å; F111-I906 HydrophobicContact CD2-CG2 4.09Å; F111-I906 HydrophobicContact CE2-CD1 4.19Å; F111-V907 HydrophobicContact CB-CG2 3.75Å; F111-V907 HydrophobicContact CD2-CG2 4.34Å; F111-V907 HydrophobicContact CG-CG2 3.97Å
112	M	92.3	Very high	89.1	Confident	32 Å²	32	60 Å²	60	16%	0.158	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-36.2	178.3	-71.6	-68.3	-174	0	0	113.1	L108 E109 I110 Y115 R116 W665 P821 F822	L108-M112 HydrophobicContact CD1-CE 4.15Å; L108-M112 HydrophobicContact CD1-CG 4.42Å; L108-M112 WeakPolarHBondContact O-CB 3.46Å; L108-M112 VanDerWaalsContact O-CG 3.29Å; L108-M112 WeakPolarHBondContact O-CG 3.49Å; L108-M112 PolarHBondContact O-N 3.04Å; E109-M112 PolarHBondContact O-N 3.31Å; E109-M112 VanDerWaalsContact O-N 3.12Å; I110-M112 VanDerWaalsContact C-N 3.32Å; I110-M112 PolarHBondContact O-N 3.4Å; M112-Y115 PolarHBondContact O-N 2.85Å; M112-R116 WeakPolarHBondContact O-CB 3.36Å; M112-R116 WeakPolarHBondContact O-CD 3.46Å; M112-R116 WeakPolarHBondContact O-CG 3.23Å; M112-R116 PolarHBondContact O-N 2.96Å; M112-W665 HydrophobicContact CE-CH2 3.49Å; M112-W665 VanDerWaalsContact CE-CH2 3.49Å; M112-W665 HydrophobicContact CE-CZ2 3.55Å; M112-P821 HydrophobicContact CE-CG 4.37Å; M112-F822 HydrophobicContact CE-CE2 3.57Å; M112-F822 HydrophobicContact CE-CZ 4.1Å; M112-F822 HydrophobicContact SD-CE2 4.02Å; M112-F822 HydrophobicContact SD-CZ 3.98Å
113	E	91.8	Very high	89.1	Confident	52 Å²	52	54.3 Å²	54.3	24%	0.243	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-51.5	169.4	-176.4	-174.2	166.7	0	0	109.9	E109 I110 Y115 R116 N117 K143	E109-E113 PolarHBondContact O-N 3Å; I110-E113 PolarHBondContact O-N 3.24Å; E113-Y115 VanDerWaalsContact C-N 3.31Å; E113-Y115 PolarHBondContact O-N 2.93Å; E113-R116 PolarHBondContact O-N 2.93Å; E113-N117 PolarHBondContact O-N 3.03Å; E113-N117 PolarHBondContact O-OD1 3.28Å; E113-K143 WeakPolarHBondContact OE1-CD 3.49Å; E113-K143 WeakPolarHBondContact OE1-CE 3.35Å; E113-K143 IonicContact OE1-NZ 2.66Å; E113-K143 PolarHBondContact OE1-NZ 3.39Å
114	F	91.8	Very high	89.1	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.3	-31.6	-178.7	-82.5	-123.2	0	0	0	113.3	I110 F111 G118 Y119 F120 L136 M139 V140 K143 F152	I110-F114 HydrophobicContact CG2-CD2 3.96Å; I110-F114 HydrophobicContact CG2-CE2 3.82Å; I110-F114 WeakPolarHBondContact O-CD2 3.32Å; I110-F114 PolarHBondContact O-N 3.47Å; F111-F114 PolarHBondContact O-N 2.91Å; F114-G118 PolarHBondContact O-N 2.95Å; F114-Y119 HydrophobicContact CB-CD2 3.97Å; F114-Y119 AromaticContact CD1-CD2 3.66Å; F114-Y119 HydrophobicContact CD1-CD2 3.66Å; F114-Y119 HydrophobicContact CD1-CE2 4.23Å; F114-Y119 HydrophobicContact CD1-CG 4.24Å; F114-Y119 HydrophobicContact CD2-CD2 4.5Å; F114-Y119 HydrophobicContact CD2-CE2 4.44Å; F114-Y119 HydrophobicContact CE1-CD2 4.29Å; F114-Y119 AromaticContact CG-CD2 3.79Å; F114-Y119 HydrophobicContact CG-CD2 3.79Å; F114-Y119 HydrophobicContact CG-CE2 4.17Å; F114-Y119 PolarHBondContact O-N 3.47Å; F114-F120 HydrophobicContact CB-CE1 4.28Å; F114-F120 HydrophobicContact CB-CE2 3.85Å; F114-F120 HydrophobicContact CB-CZ 3.61Å; F114-L136 HydrophobicContact CD1-CD1 3.82Å; F114-L136 HydrophobicContact CE1-CD1 4.14Å; F114-M139 HydrophobicContact CE1-CB 3.77Å; F114-M139 HydrophobicContact CZ-CB 3.89Å; F114-V140 HydrophobicContact CD1-CG2 4.01Å; F114-V140 HydrophobicContact CE1-CG2 3.67Å; F114-V140 HydrophobicContact CZ-CG2 3.94Å; F114-K143 HydrophobicContact CE2-CB 4.38Å; F114-K143 HydrophobicContact CE2-CD 4.4Å; F114-K143 HydrophobicContact CE2-CG 3.95Å; F114-K143 HydrophobicContact CZ-CG 4.23Å; F114-F152 HydrophobicContact CE2-CZ 4.39Å; F114-F152 AromaticContact CZ-CZ 3.8Å; F114-F152 HydrophobicContact CZ-CZ 3.8Å
115	Y	90.8	Very high	89.2	Confident	89 Å²	89	53 Å²	53	35%	0.349	25%	0.246	S	C	.	.	H	α-helix	trans	-68.9	-42.5	174.1	-176.4	-99.3	0	0	0	112.2	F111 M112 E113 N117 G118 F120 F822	F111-Y115 WeakPolarHBondContact O-CB 3.38Å; F111-Y115 PolarHBondContact O-N 2.87Å; M112-Y115 PolarHBondContact O-N 2.85Å; E113-Y115 VanDerWaalsContact C-N 3.31Å; E113-Y115 PolarHBondContact O-N 2.93Å; Y115-N117 VanDerWaalsContact C-N 3.35Å; Y115-G118 PolarHBondContact O-N 3.16Å; Y115-F120 HydrophobicContact CD2-CD2 4.11Å; Y115-F822 HydrophobicContact CD1-CE1 4.18Å; Y115-F822 HydrophobicContact CD1-CZ 4.16Å; Y115-F822 AromaticContact CD2-CE1 3.79Å; Y115-F822 HydrophobicContact CD2-CE1 3.79Å; Y115-F822 HydrophobicContact CD2-CZ 4.13Å; Y115-F822 HydrophobicContact CE1-CE1 4.03Å; Y115-F822 HydrophobicContact CE1-CZ 4.41Å; Y115-F822 AromaticContact CE2-CE1 3.64Å; Y115-F822 HydrophobicContact CE2-CE1 3.64Å; Y115-F822 HydrophobicContact CE2-CZ 4.4Å; Y115-F822 HydrophobicContact CG-CE1 4.07Å; Y115-F822 HydrophobicContact CG-CZ 4.01Å; Y115-F822 AromaticContact CZ-CE1 3.77Å
116	R	91.2	Very high	89.2	Confident	204 Å²	204	49.4 Å²	49.4	77%	0.77	23%	0.232	S	C	*	.	H	α-helix	trans	-67.8	-34.1	178.6	-72.3	166.7	-177.9	179.5	0.6	112.8	M112 E113 G118	M112-R116 WeakPolarHBondContact O-CB 3.36Å; M112-R116 WeakPolarHBondContact O-CD 3.46Å; M112-R116 WeakPolarHBondContact O-CG 3.23Å; M112-R116 PolarHBondContact O-N 2.96Å; E113-R116 PolarHBondContact O-N 2.93Å; R116-G118 VanDerWaalsContact C-N 3.3Å
117	N	90.3	Very high	88.9	Confident	89 Å²	89	45.6 Å²	45.6	48%	0.476	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1	178.2	-67.9	16.9	0	0	0	113.5	E113 Y115 Y119	E113-N117 PolarHBondContact O-N 3.03Å; E113-N117 PolarHBondContact O-OD1 3.28Å; Y115-N117 VanDerWaalsContact C-N 3.35Å; N117-Y119 HydrophobicContact CB-CD2 3.72Å; N117-Y119 HydrophobicContact CB-CE2 3.27Å; N117-Y119 PolarHBondContact ND2-OH 3.19Å; N117-Y119 VanDerWaalsContact ND2-OH 3.17Å; N117-Y119 PolarHBondContact O-N 3.2Å
118	G	87.8	Confident	88.6	Confident	26 Å²	26	48.4 Å²	48.4	27%	0.268	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	8.8	174.3	0	0	0	0	0	116.7	F114 Y115 R116 F120 D121	F114-G118 PolarHBondContact O-N 2.95Å; Y115-G118 PolarHBondContact O-N 3.16Å; R116-G118 VanDerWaalsContact C-N 3.3Å; G118-F120 PolarHBondContact O-N 2.87Å; G118-D121 WeakPolarHBondContact O-CB 3.3Å; G118-D121 PolarHBondContact O-N 2.9Å
119	Y	86.8	Confident	88.4	Confident	47 Å²	47	51.9 Å²	51.9	18%	0.184	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-9.1	-178.3	-47.1	-84.2	0	0	0	114.3	F114 N117 M139 E149	F114-Y119 HydrophobicContact CB-CD2 3.97Å; F114-Y119 AromaticContact CD1-CD2 3.66Å; F114-Y119 HydrophobicContact CD1-CD2 3.66Å; F114-Y119 HydrophobicContact CD1-CE2 4.23Å; F114-Y119 HydrophobicContact CD1-CG 4.24Å; F114-Y119 HydrophobicContact CD2-CD2 4.5Å; F114-Y119 HydrophobicContact CD2-CE2 4.44Å; F114-Y119 HydrophobicContact CE1-CD2 4.29Å; F114-Y119 AromaticContact CG-CD2 3.79Å; F114-Y119 HydrophobicContact CG-CD2 3.79Å; F114-Y119 HydrophobicContact CG-CE2 4.17Å; F114-Y119 PolarHBondContact O-N 3.47Å; N117-Y119 HydrophobicContact CB-CD2 3.72Å; N117-Y119 HydrophobicContact CB-CE2 3.27Å; N117-Y119 PolarHBondContact ND2-OH 3.19Å; N117-Y119 VanDerWaalsContact ND2-OH 3.17Å; N117-Y119 PolarHBondContact O-N 3.2Å; Y119-M139 HydrophobicContact CD1-CE 3.79Å; Y119-M139 HydrophobicContact CE1-CE 3.67Å; Y119-M139 HydrophobicContact CG-CE 4.45Å; Y119-E149 PolarHBondContact OH-OE1 3.41Å
120	F	87.2	Confident	88.2	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.026	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-9.6	172.3	-56.6	-48.6	0	0	0	113.3	F111 F114 Y115 G118 L123 L136 L902 I906	F111-F120 HydrophobicContact CD2-CE2 4.03Å; F111-F120 AromaticContact CD2-CZ 3.68Å; F111-F120 HydrophobicContact CD2-CZ 3.68Å; F111-F120 HydrophobicContact CE1-CE2 4.23Å; F111-F120 HydrophobicContact CE2-CE1 4.32Å; F111-F120 AromaticContact CE2-CE2 3.66Å; F111-F120 HydrophobicContact CE2-CE2 3.66Å; F111-F120 AromaticContact CE2-CZ 3.5Å; F111-F120 HydrophobicContact CE2-CZ 3.5Å; F111-F120 HydrophobicContact CG-CE2 4.47Å; F111-F120 HydrophobicContact CG-CZ 4.43Å; F111-F120 HydrophobicContact CZ-CD2 4.47Å; F111-F120 AromaticContact CZ-CE2 3.78Å; F111-F120 HydrophobicContact CZ-CE2 3.78Å; F111-F120 HydrophobicContact CZ-CZ 4.12Å; F114-F120 HydrophobicContact CB-CE1 4.28Å; F114-F120 HydrophobicContact CB-CE2 3.85Å; F114-F120 HydrophobicContact CB-CZ 3.61Å; Y115-F120 HydrophobicContact CD2-CD2 4.11Å; G118-F120 PolarHBondContact O-N 2.87Å; F120-L123 PolarHBondContact O-N 2.91Å; F120-L136 HydrophobicContact CD1-CD1 4.08Å; F120-L136 HydrophobicContact CD1-CD2 3.86Å; F120-L136 HydrophobicContact CE1-CD1 3.96Å; F120-L136 HydrophobicContact CE1-CD2 3.93Å; F120-L136 HydrophobicContact CE1-CG 4.38Å; F120-L902 HydrophobicContact CD1-CD1 3.81Å; F120-L902 HydrophobicContact CE1-CD1 4.34Å; F120-L902 HydrophobicContact CG-CD1 4.38Å; F120-I906 HydrophobicContact CE1-CD1 3.91Å; F120-I906 HydrophobicContact CZ-CD1 4.01Å
121	D	79.7	Confident	88.1	Confident	67 Å²	67	50.9 Å²	50.9	36%	0.358	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	141.2	-177	-62.6	-31.9	0	0	0	111	G118 L123 R899	G118-D121 WeakPolarHBondContact O-CB 3.3Å; G118-D121 PolarHBondContact O-N 2.9Å; D121-L123 PolarHBondContact O-N 3.39Å; D121-R899 IonicContact OD1-CZ 3.19Å; D121-R899 IonicContact OD1-NE 2.69Å; D121-R899 IonicContact OD1-NH2 3.25Å; D121-R899 PolarHBondContact OD1-NH2 3.26Å
122	N	77.3	Confident	87.9	Confident	121 Å²	121	53.1 Å²	53.1	65%	0.647	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	2.2	-166.6	-44	-74.5	0	0	0	115.5	F176	N122-F176 HydrophobicContact CB-CZ 4.29Å
123	L	86	Confident	87.8	Confident	17 Å²	17	51.7 Å²	51.7	9%	0.089	27%	0.266	C	S	.	.			trans	-90.8	117	177.5	-172	126.4	0	0	0	111.6	F120 D121 L125 E132 I133 L136 L902	F120-L123 PolarHBondContact O-N 2.91Å; D121-L123 PolarHBondContact O-N 3.39Å; L123-L125 HydrophobicContact CD2-CD2 4.15Å; L123-E132 HydrophobicContact CD1-CB 4.05Å; L123-I133 HydrophobicContact CD1-CG1 4.21Å; L123-I133 HydrophobicContact CD2-CG1 4.23Å; L123-I133 HydrophobicContact CG-CG1 4.27Å; L123-L136 HydrophobicContact CD1-CB 4.37Å; L123-L136 HydrophobicContact CD1-CD2 3.95Å; L123-L136 HydrophobicContact CD2-CD2 3.91Å; L123-L902 HydrophobicContact CD2-CD1 3.82Å; L123-L902 HydrophobicContact CD2-CD2 4.46Å
124	H	86.7	Confident	87.8	Confident	49 Å²	49	49.4 Å²	49.4	23%	0.227	26%	0.256	C	S	.	.			trans	-113	133.8	177.2	-61	-53.5	0	0	0	111.7	T126 Y129 D898	H124-T126 PolarHBondContact O-N 3.23Å; H124-Y129 HydrophobicContact CB-CD2 4.03Å; H124-Y129 HydrophobicContact CB-CE2 3.96Å; H124-Y129 AromaticContact CD2-CZ 3.99Å; H124-D898 WeakPolarHBondContact CA-OD2 3.4Å
125	L	90	Very high	87.8	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-77.5	55.4	179.1	-58.6	-179.5	0	0	0	113	L123 I133 D898 I901 L902 I931 R934	L123-L125 HydrophobicContact CD2-CD2 4.15Å; L125-I133 HydrophobicContact CD2-CD1 3.97Å; L125-I133 HydrophobicContact CD2-CG1 4.19Å; L125-D898 WeakPolarHBondContact CB-OD1 3.29Å; L125-D898 HydrophobicContact CD1-CB 4.1Å; L125-D898 HydrophobicContact CG-CB 3.98Å; L125-D898 PolarHBondContact N-OD2 3.42Å; L125-I901 HydrophobicContact CD1-CB 3.73Å; L125-I901 HydrophobicContact CD1-CD1 4.49Å; L125-I901 HydrophobicContact CD1-CG2 3.47Å; L125-I901 VanDerWaalsContact CD1-CG2 3.47Å; L125-L902 HydrophobicContact CD1-CG 4.42Å; L125-L902 HydrophobicContact CD2-CD2 4.18Å; L125-L902 HydrophobicContact CD2-CG 4.44Å; L125-I931 HydrophobicContact CD2-CD1 4.25Å; L125-R934 WeakPolarHBondContact O-CB 3.21Å; L125-R934 PolarHBondContact O-N 2.96Å
126	T	88.1	Confident	87.8	Confident	30 Å²	30	49 Å²	49	18%	0.184	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-132.5	141.6	-174.7	-55.1	0	0	0	0	110.4	H124 G128 Y129 R934	H124-T126 PolarHBondContact O-N 3.23Å; T126-G128 PolarHBondContact O-N 2.81Å; T126-Y129 PolarHBondContact O-N 2.85Å; T126-Y129 VanDerWaalsContact O-N 3.12Å; T126-R934 CarbonylContact C-O 3.56Å; T126-R934 WeakPolarHBondContact CA-O 3.44Å; T126-R934 PolarHBondContact OG1-NE 3.03Å; T126-R934 PolarHBondContact OG1-NH2 2.82Å
127	S	86	Confident	87.8	Confident	22 Å²	22	39.3 Å²	39.3	15%	0.154	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	125	175.7	-171.8	0	0	0	0	110.7	E130 K622 R934	S127-E130 WeakPolarHBondContact CA-OE1 3.41Å; S127-E130 VanDerWaalsContact CB-OE1 3.31Å; S127-E130 WeakPolarHBondContact CB-OE1 3.46Å; S127-E130 PolarHBondContact OG-OE1 2.54Å; S127-K622 PolarHBondContact OG-NZ 3.07Å; S127-R934 PolarHBondContact N-O 2.85Å
128	G	85.3	Confident	87.8	Confident	60 Å²	60	35.4 Å²	35.4	62%	0.619	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	130.8	-38.6	-155.9	0	0	0	0	0	111.2	T126 E130	T126-G128 PolarHBondContact O-N 2.81Å; G128-E130 PolarHBondContact N-OE2 2.64Å
129	Y	87.9	Confident	88	Confident	93 Å²	93	34.3 Å²	34.3	37%	0.365	19%	0.185	S	C	.	.			trans	-110.1	21.9	-175.1	-60.2	-85.2	0	0	0	114.1	H124 T126 S131 E132 I133	H124-Y129 HydrophobicContact CB-CD2 4.03Å; H124-Y129 HydrophobicContact CB-CE2 3.96Å; H124-Y129 AromaticContact CD2-CZ 3.99Å; T126-Y129 PolarHBondContact O-N 2.85Å; T126-Y129 VanDerWaalsContact O-N 3.12Å; Y129-S131 PolarHBondContact O-N 2.7Å; Y129-E132 VanDerWaalsContact C-OE2 3.28Å; Y129-E132 VanDerWaalsContact CA-OE2 3.24Å; Y129-E132 WeakPolarHBondContact CA-OE2 3.29Å; Y129-E132 PolarHBondContact O-N 2.82Å; Y129-I133 WeakPolarHBondContact O-CB 3.43Å; Y129-I133 WeakPolarHBondContact O-CD1 3.15Å; Y129-I133 WeakPolarHBondContact O-CG1 3.47Å; Y129-I133 PolarHBondContact O-N 2.83Å; Y129-I133 VanDerWaalsContact O-N 3.07Å
130	E	89.8	Confident	88.2	Confident	21 Å²	21	32.1 Å²	32.1	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-55.8	-33.9	-179.2	-74.2	88.7	158.7	0	0	112.9	S127 G128 V134 L616 A620 K622 I933	S127-E130 WeakPolarHBondContact CA-OE1 3.41Å; S127-E130 VanDerWaalsContact CB-OE1 3.31Å; S127-E130 WeakPolarHBondContact CB-OE1 3.46Å; S127-E130 PolarHBondContact OG-OE1 2.54Å; G128-E130 PolarHBondContact N-OE2 2.64Å; E130-V134 WeakPolarHBondContact O-CB 3.32Å; E130-V134 VanDerWaalsContact O-CG2 3.22Å; E130-V134 WeakPolarHBondContact O-CG2 3.05Å; E130-V134 PolarHBondContact O-N 2.94Å; E130-V134 VanDerWaalsContact O-N 3.11Å; E130-L616 HydrophobicContact CB-CB 4.41Å; E130-A620 HydrophobicContact CB-CB 4.07Å; E130-A620 HydrophobicContact CG-CB 3.82Å; E130-K622 IonicContact OE1-NZ 3.93Å; E130-I933 HydrophobicContact CG-CD1 3.8Å
131	S	88.8	Confident	88.4	Confident	43 Å²	43	32 Å²	32	30%	0.301	18%	0.176	S	C	.	.	H	α-helix	trans	-69.5	-40.2	-178.1	-69.4	0	0	0	0	113.1	Y129 R135 R159	Y129-S131 PolarHBondContact O-N 2.7Å; S131-R135 WeakPolarHBondContact O-CB 3.29Å; S131-R135 PolarHBondContact O-N 2.72Å; S131-R135 VanDerWaalsContact O-N 3.09Å; S131-R159 PolarHBondContact O-NH2 3.08Å
132	E	89.7	Confident	88.8	Confident	48 Å²	48	28.8 Å²	28.8	22%	0.224	16%	0.159	C	C	.	.	H	α-helix	trans	-79	-42.9	-176	-62.8	60	-129.1	0	0	109.6	L123 Y129 V134 R135 L136	L123-E132 HydrophobicContact CD1-CB 4.05Å; Y129-E132 VanDerWaalsContact C-OE2 3.28Å; Y129-E132 VanDerWaalsContact CA-OE2 3.24Å; Y129-E132 WeakPolarHBondContact CA-OE2 3.29Å; Y129-E132 PolarHBondContact O-N 2.82Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 3.48Å; E132-R135 PolarHBondContact O-N 2.74Å; E132-L136 WeakPolarHBondContact O-CB 3.29Å; E132-L136 PolarHBondContact O-N 3.42Å
133	I	91.6	Very high	89.5	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-42.1	174.5	-65.2	167.2	0	0	0	110.6	L123 L125 Y129 L137 A620 I931 I933	L123-I133 HydrophobicContact CD1-CG1 4.21Å; L123-I133 HydrophobicContact CD2-CG1 4.23Å; L123-I133 HydrophobicContact CG-CG1 4.27Å; L125-I133 HydrophobicContact CD2-CD1 3.97Å; L125-I133 HydrophobicContact CD2-CG1 4.19Å; Y129-I133 WeakPolarHBondContact O-CB 3.43Å; Y129-I133 WeakPolarHBondContact O-CD1 3.15Å; Y129-I133 WeakPolarHBondContact O-CG1 3.47Å; Y129-I133 PolarHBondContact O-N 2.83Å; Y129-I133 VanDerWaalsContact O-N 3.07Å; I133-L137 HydrophobicContact CG2-CD1 4.03Å; I133-L137 WeakPolarHBondContact O-CD1 3.21Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.29Å; I133-L137 PolarHBondContact O-N 3.12Å; I133-L137 VanDerWaalsContact O-N 3.13Å; I133-A620 HydrophobicContact CG2-CB 4.5Å; I133-I931 HydrophobicContact CG2-CG2 3.71Å; I133-I933 HydrophobicContact CD1-CG2 3.91Å
134	V	90.8	Very high	89.6	Confident	5 Å²	5	24 Å²	24	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-67.6	-43.1	176	168.7	0	0	0	0	111.6	E130 E132 L136 L137 D138 L616 R619 A620	E130-V134 WeakPolarHBondContact O-CB 3.32Å; E130-V134 VanDerWaalsContact O-CG2 3.22Å; E130-V134 WeakPolarHBondContact O-CG2 3.05Å; E130-V134 PolarHBondContact O-N 2.94Å; E130-V134 VanDerWaalsContact O-N 3.11Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 3.48Å; V134-L136 PolarHBondContact O-N 2.83Å; V134-L137 PolarHBondContact O-N 3.33Å; V134-D138 PolarHBondContact O-N 2.77Å; V134-L616 HydrophobicContact CB-CD2 4Å; V134-L616 HydrophobicContact CG1-CD2 3.75Å; V134-L616 HydrophobicContact CG2-CD2 4.1Å; V134-R619 HydrophobicContact CG2-CB 3.79Å; V134-A620 HydrophobicContact CG2-CB 4.25Å
135	R	91.1	Very high	89.5	Confident	74 Å²	74	22.9 Å²	22.9	28%	0.279	13%	0.132	S	C	.	.	H	α-helix	trans	-55.6	-49.6	174.6	-174.2	-166.2	-179.6	-127.1	1.5	111.2	S131 E132 L137 D138 M139 L155 D156	S131-R135 WeakPolarHBondContact O-CB 3.29Å; S131-R135 PolarHBondContact O-N 2.72Å; S131-R135 VanDerWaalsContact O-N 3.09Å; E132-R135 PolarHBondContact O-N 2.74Å; R135-L137 PolarHBondContact O-N 3.25Å; R135-D138 PolarHBondContact O-N 3.25Å; R135-D138 VanDerWaalsContact O-N 3.17Å; R135-M139 HydrophobicContact CG-CG 4.49Å; R135-M139 HydrophobicContact CG-SD 3.94Å; R135-M139 VanDerWaalsContact O-CG 3.3Å; R135-M139 WeakPolarHBondContact O-CG 3.27Å; R135-M139 PolarHBondContact O-N 2.84Å; R135-L155 HydrophobicContact CG-CD2 4.44Å; R135-D156 IonicContact CZ-OD1 3.08Å; R135-D156 IonicContact CZ-OD2 2.72Å; R135-D156 VanDerWaalsContact NE-CG 3.35Å; R135-D156 IonicContact NE-OD1 3.16Å; R135-D156 PolarHBondContact NE-OD1 3.48Å; R135-D156 IonicContact NE-OD2 3.32Å; R135-D156 PolarHBondContact NE-OD2 2.9Å; R135-D156 IonicContact NH2-OD2 3.59Å; R135-D156 PolarHBondContact NH2-OD2 3.21Å
136	L	92.1	Very high	89.2	Confident	6 Å²	6	24.9 Å²	24.9	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-45.7	178.6	-179.7	71.8	0	0	0	112	F114 F120 L123 E132 V134 D138 M139 V140 L902	F114-L136 HydrophobicContact CD1-CD1 3.82Å; F114-L136 HydrophobicContact CE1-CD1 4.14Å; F120-L136 HydrophobicContact CD1-CD1 4.08Å; F120-L136 HydrophobicContact CD1-CD2 3.86Å; F120-L136 HydrophobicContact CE1-CD1 3.96Å; F120-L136 HydrophobicContact CE1-CD2 3.93Å; F120-L136 HydrophobicContact CE1-CG 4.38Å; L123-L136 HydrophobicContact CD1-CB 4.37Å; L123-L136 HydrophobicContact CD1-CD2 3.95Å; L123-L136 HydrophobicContact CD2-CD2 3.91Å; E132-L136 WeakPolarHBondContact O-CB 3.29Å; E132-L136 PolarHBondContact O-N 3.42Å; V134-L136 PolarHBondContact O-N 2.83Å; L136-D138 VanDerWaalsContact C-N 3.32Å; L136-D138 PolarHBondContact O-N 2.95Å; L136-M139 PolarHBondContact O-N 2.85Å; L136-V140 WeakPolarHBondContact O-CG2 3.43Å; L136-V140 PolarHBondContact O-N 3.48Å; L136-L902 HydrophobicContact CD2-CD2 3.96Å
137	L	91.3	Very high	89	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-68.3	-31.1	179.3	-66.8	166.7	0	0	0	112.5	I133 V134 R135 A141 R905 C928 I931	I133-L137 HydrophobicContact CG2-CD1 4.03Å; I133-L137 WeakPolarHBondContact O-CD1 3.21Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.29Å; I133-L137 PolarHBondContact O-N 3.12Å; I133-L137 VanDerWaalsContact O-N 3.13Å; V134-L137 PolarHBondContact O-N 3.33Å; R135-L137 PolarHBondContact O-N 3.25Å; L137-A141 WeakPolarHBondContact O-CB 3.47Å; L137-A141 PolarHBondContact O-N 2.66Å; L137-R905 HydrophobicContact CD2-CG 4.44Å; L137-C928 HydrophobicContact CB-CB 4.28Å; L137-C928 HydrophobicContact CD2-CB 3.9Å; L137-I931 HydrophobicContact CD1-CB 4.11Å; L137-I931 HydrophobicContact CD1-CG2 3.71Å
138	D	90.4	Very high	89	Confident	6 Å²	6	26.2 Å²	26.2	3%	0.032	16%	0.161	C	C	.	.	H	α-helix	trans	-74.9	-38.1	174.6	-69.1	-14.9	0	0	0	111.9	V134 R135 L136 A141 I142 L155 R619 H926	V134-D138 PolarHBondContact O-N 2.77Å; R135-D138 PolarHBondContact O-N 3.25Å; R135-D138 VanDerWaalsContact O-N 3.17Å; L136-D138 VanDerWaalsContact C-N 3.32Å; L136-D138 PolarHBondContact O-N 2.95Å; D138-A141 WeakPolarHBondContact O-CB 3.24Å; D138-A141 PolarHBondContact O-N 3.31Å; D138-I142 WeakPolarHBondContact O-CG1 3.48Å; D138-I142 PolarHBondContact O-N 2.62Å; D138-L155 HydrophobicContact CB-CD1 4.19Å; D138-L155 HydrophobicContact CB-CD2 3.73Å; D138-R619 IonicContact OD1-CZ 3.96Å; D138-R619 IonicContact OD1-NH1 3.4Å; D138-R619 PolarHBondContact OD1-NH1 2.95Å; D138-R619 IonicContact OD1-NH2 3.86Å; D138-R619 PolarHBondContact OD1-NH2 3.12Å; D138-R619 IonicContact OD2-CZ 2.92Å; D138-R619 IonicContact OD2-NH1 2.87Å; D138-R619 PolarHBondContact OD2-NH1 3.05Å; D138-R619 IonicContact OD2-NH2 2.98Å; D138-H926 IonicContact OD1-CE1 2.78Å; D138-H926 PolarHBondContact OD1-CE1 3.11Å; D138-H926 IonicContact OD1-NE2 3.58Å; D138-H926 PolarHBondContact OD1-NE2 3.28Å
139	M	90.4	Very high	88.9	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-43.3	170.5	-68.5	167.5	74	0	0	111.5	F114 Y119 R135 L136 A141 I142 K143 F152 L155	F114-M139 HydrophobicContact CE1-CB 3.77Å; F114-M139 HydrophobicContact CZ-CB 3.89Å; Y119-M139 HydrophobicContact CD1-CE 3.79Å; Y119-M139 HydrophobicContact CE1-CE 3.67Å; Y119-M139 HydrophobicContact CG-CE 4.45Å; R135-M139 HydrophobicContact CG-CG 4.49Å; R135-M139 HydrophobicContact CG-SD 3.94Å; R135-M139 VanDerWaalsContact O-CG 3.3Å; R135-M139 WeakPolarHBondContact O-CG 3.27Å; R135-M139 PolarHBondContact O-N 2.84Å; L136-M139 PolarHBondContact O-N 2.85Å; M139-A141 VanDerWaalsContact C-N 3.34Å; M139-A141 PolarHBondContact O-N 3.04Å; M139-I142 WeakPolarHBondContact O-CB 3.48Å; M139-I142 PolarHBondContact O-N 2.85Å; M139-K143 PolarHBondContact O-N 3.45Å; M139-K143 VanDerWaalsContact O-N 3.08Å; M139-F152 HydrophobicContact CB-CD1 4.04Å; M139-F152 HydrophobicContact CB-CE1 3.59Å; M139-F152 HydrophobicContact CB-CZ 3.81Å; M139-F152 HydrophobicContact CE-CD1 4.47Å; M139-F152 HydrophobicContact CE-CD2 3.5Å; M139-F152 VanDerWaalsContact CE-CD2 3.5Å; M139-F152 HydrophobicContact CE-CE1 4.49Å; M139-F152 HydrophobicContact CE-CE2 3.51Å; M139-F152 HydrophobicContact CE-CG 3.97Å; M139-F152 HydrophobicContact CE-CZ 4Å; M139-F152 HydrophobicContact CG-CD1 3.81Å; M139-F152 HydrophobicContact CG-CE1 3.91Å; M139-F152 HydrophobicContact CG-CG 4.1Å; M139-F152 HydrophobicContact CG-CZ 4.25Å; M139-F152 WeakPolarHBondContact O-CE1 3.46Å; M139-L155 HydrophobicContact CG-CD2 3.87Å
140	V	91.8	Very high	88.7	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-41	172.7	168.6	0	0	0	0	111.1	F114 L136 I142 K143 L144 I906	F114-V140 HydrophobicContact CD1-CG2 4.01Å; F114-V140 HydrophobicContact CE1-CG2 3.67Å; F114-V140 HydrophobicContact CZ-CG2 3.94Å; L136-V140 WeakPolarHBondContact O-CG2 3.43Å; L136-V140 PolarHBondContact O-N 3.48Å; V140-I142 VanDerWaalsContact C-N 3.32Å; V140-I142 PolarHBondContact O-N 2.89Å; V140-K143 PolarHBondContact O-N 3.07Å; V140-L144 HydrophobicContact CG1-CD1 3.84Å; V140-L144 HydrophobicContact CG1-CG 4.39Å; V140-L144 WeakPolarHBondContact O-CB 3.46Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.36Å; V140-L144 PolarHBondContact O-N 3.4Å; V140-I906 HydrophobicContact CG1-CG1 4.47Å; V140-I906 HydrophobicContact CG1-CG2 4.01Å; V140-I906 HydrophobicContact CG2-CD1 4.11Å; V140-I906 HydrophobicContact CG2-CG1 4.5Å
141	A	90.6	Very high	88.5	Confident	2 Å²	2	28 Å²	28	2%	0.017	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-32.3	176	0	0	0	0	0	113.2	L137 D138 M139 A145 H488 P927	L137-A141 WeakPolarHBondContact O-CB 3.47Å; L137-A141 PolarHBondContact O-N 2.66Å; D138-A141 WeakPolarHBondContact O-CB 3.24Å; D138-A141 PolarHBondContact O-N 3.31Å; M139-A141 VanDerWaalsContact C-N 3.34Å; M139-A141 PolarHBondContact O-N 3.04Å; A141-A145 WeakPolarHBondContact O-CB 2.98Å; A141-A145 PolarHBondContact O-N 3.09Å; A141-H488 HydrophobicContact CB-CB 4.05Å; A141-P927 HydrophobicContact CB-CG 4.04Å
142	I	89.6	Confident	88.4	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.5	-52.9	172.6	-72.3	166.2	0	0	0	110.9	D138 M139 V140 L144 A145 G146 G147 D151 F152 L155 P486 H488	D138-I142 WeakPolarHBondContact O-CG1 3.48Å; D138-I142 PolarHBondContact O-N 2.62Å; M139-I142 WeakPolarHBondContact O-CB 3.48Å; M139-I142 PolarHBondContact O-N 2.85Å; V140-I142 VanDerWaalsContact C-N 3.32Å; V140-I142 PolarHBondContact O-N 2.89Å; I142-L144 VanDerWaalsContact C-N 3.3Å; I142-L144 PolarHBondContact O-N 2.85Å; I142-A145 CarbonylContact O-C 3.58Å; I142-A145 WeakPolarHBondContact O-CA 3.48Å; I142-A145 WeakPolarHBondContact O-CB 3.34Å; I142-A145 PolarHBondContact O-N 3.22Å; I142-G146 PolarHBondContact O-N 3.42Å; I142-G147 PolarHBondContact O-N 3.19Å; I142-D151 HydrophobicContact CD1-CB 4.28Å; I142-D151 HydrophobicContact CG2-CB 3.6Å; I142-F152 HydrophobicContact CB-CD1 4.34Å; I142-F152 HydrophobicContact CB-CE1 3.99Å; I142-F152 HydrophobicContact CD1-CD1 3.91Å; I142-F152 HydrophobicContact CD1-CE1 4.35Å; I142-F152 HydrophobicContact CG2-CD1 4.04Å; I142-F152 HydrophobicContact CG2-CE1 3.82Å; I142-L155 HydrophobicContact CD1-CB 4.16Å; I142-L155 HydrophobicContact CD1-CD2 4.07Å; I142-P486 HydrophobicContact CD1-CB 4.16Å; I142-H488 WeakPolarHBondContact CD1-ND1 3.28Å; I142-H488 HydrophobicContact CG1-CB 4.11Å; I142-H488 WeakPolarHBondContact CG1-ND1 3.41Å
143	K	90.8	Very high	88.2	Confident	21 Å²	21	29.2 Å²	29.2	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-69.5	-26.8	-178.2	-62.7	-111.2	-174.2	171.7	0	112.6	I110 E113 F114 M139 V140 A145 G146 E149 F152	I110-K143 HydrophobicContact CD1-CB 4.29Å; I110-K143 HydrophobicContact CG1-CB 4.37Å; I110-K143 HydrophobicContact CG2-CB 4.19Å; E113-K143 WeakPolarHBondContact OE1-CD 3.49Å; E113-K143 WeakPolarHBondContact OE1-CE 3.35Å; E113-K143 IonicContact OE1-NZ 2.66Å; E113-K143 PolarHBondContact OE1-NZ 3.39Å; F114-K143 HydrophobicContact CE2-CB 4.38Å; F114-K143 HydrophobicContact CE2-CD 4.4Å; F114-K143 HydrophobicContact CE2-CG 3.95Å; F114-K143 HydrophobicContact CZ-CG 4.23Å; M139-K143 PolarHBondContact O-N 3.45Å; M139-K143 VanDerWaalsContact O-N 3.08Å; V140-K143 PolarHBondContact O-N 3.07Å; K143-A145 VanDerWaalsContact C-N 3.29Å; K143-G146 PolarHBondContact O-N 2.8Å; K143-E149 WeakPolarHBondContact CE-OE2 3.36Å; K143-E149 IonicContact NZ-OE2 3.4Å; K143-E149 PolarHBondContact NZ-OE2 3.41Å; K143-F152 HydrophobicContact CD-CZ 4.03Å; K143-F152 VanDerWaalsContact CE-CE2 3.5Å; K143-F152 HydrophobicContact CG-CE1 3.94Å; K143-F152 HydrophobicContact CG-CZ 3.61Å
144	L	88.4	Confident	87.9	Confident	17 Å²	17	31 Å²	31	9%	0.089	17%	0.169	C	C	.	.	H	α-helix	trans	-68.3	-25.3	167.4	-76.4	169.9	0	0	0	113.2	R107 I110 V140 I142 P927	R107-L144 HydrophobicContact CG-CD2 3.8Å; I110-L144 HydrophobicContact CD1-CD2 3.6Å; I110-L144 HydrophobicContact CD1-CG 3.89Å; V140-L144 HydrophobicContact CG1-CD1 3.84Å; V140-L144 HydrophobicContact CG1-CG 4.39Å; V140-L144 WeakPolarHBondContact O-CB 3.46Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.36Å; V140-L144 PolarHBondContact O-N 3.4Å; I142-L144 VanDerWaalsContact C-N 3.3Å; I142-L144 PolarHBondContact O-N 2.85Å; L144-P927 HydrophobicContact CD1-CB 4.1Å; L144-P927 HydrophobicContact CD1-CG 4.15Å
145	A	85.5	Confident	87.5	Confident	26 Å²	26	30.8 Å²	30.8	22%	0.215	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	5.2	173	0	0	0	0	0	113.4	A141 I142 K143 I487	A141-A145 WeakPolarHBondContact O-CB 2.98Å; A141-A145 PolarHBondContact O-N 3.09Å; I142-A145 CarbonylContact O-C 3.58Å; I142-A145 WeakPolarHBondContact O-CA 3.48Å; I142-A145 WeakPolarHBondContact O-CB 3.34Å; I142-A145 PolarHBondContact O-N 3.22Å; K143-A145 VanDerWaalsContact C-N 3.29Å; A145-I487 HydrophobicContact CB-CG2 3.88Å
146	G	83.9	Confident	87.3	Confident	42 Å²	42	28.5 Å²	28.5	43%	0.433	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	10.8	-179.9	0	0	0	0	0	115.5	I142 K143	I142-G146 PolarHBondContact O-N 3.42Å; K143-G146 PolarHBondContact O-N 2.8Å
147	G	83.2	Confident	86.9	Confident	8 Å²	8	32 Å²	32	8%	0.082	18%	0.176	C	C	.	.			trans	-74	158.4	-179.7	0	0	0	0	0	114.8	I142 D151	I142-G147 PolarHBondContact O-N 3.19Å; G147-D151 WeakPolarHBondContact CA-OD2 3.26Å
148	T	86.7	Confident	86.2	Confident	71 Å²	71	33.7 Å²	33.7	44%	0.436	19%	0.185	S	C	.	.			trans	-97.6	179	-175.2	65.5	0	0	0	0	111.9	E150 D151	T148-E150 PolarHBondContact O-N 3.45Å; T148-E150 PolarHBondContact OG1-N 2.88Å; T148-D151 PolarHBondContact N-OD2 3.28Å; T148-D151 WeakPolarHBondContact O-CB 3.2Å; T148-D151 PolarHBondContact O-N 2.9Å
149	E	83.1	Confident	85.5	Confident	80 Å²	80	36.6 Å²	36.6	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-27.5	174.4	-146.1	69.2	-165.3	0	0	112.2	Y119 K143 D151 F152 I153	Y119-E149 PolarHBondContact OH-OE1 3.41Å; K143-E149 WeakPolarHBondContact CE-OE2 3.36Å; K143-E149 IonicContact NZ-OE2 3.4Å; K143-E149 PolarHBondContact NZ-OE2 3.41Å; E149-D151 VanDerWaalsContact C-N 3.26Å; E149-D151 PolarHBondContact O-N 3.17Å; E149-F152 VanDerWaalsContact CD-CE2 3.47Å; E149-F152 HydrophobicContact CG-CD2 4.08Å; E149-F152 VanDerWaalsContact O-CB 3.29Å; E149-F152 WeakPolarHBondContact O-CB 3.13Å; E149-F152 PolarHBondContact O-N 2.99Å; E149-F152 WeakPolarHBondContact OE1-CD2 3.38Å; E149-F152 VanDerWaalsContact OE1-CE2 3.31Å; E149-F152 WeakPolarHBondContact OE1-CE2 3.48Å; E149-F152 WeakPolarHBondContact OE2-CE2 3.47Å; E149-I153 PolarHBondContact O-N 3.07Å
150	E	83.1	Confident	84.8	Confident	130 Å²	130	42.7 Å²	42.7	61%	0.607	22%	0.224	S	C	*	.	H	α-helix	trans	-61.1	-35.2	175.3	-56.8	174.7	-179.4	0	0	112.1	T148 F152 I153 L154	T148-E150 PolarHBondContact O-N 3.45Å; T148-E150 PolarHBondContact OG1-N 2.88Å; E150-F152 PolarHBondContact O-N 3.27Å; E150-I153 PolarHBondContact O-N 3.21Å; E150-L154 PolarHBondContact O-N 3.35Å; E150-L154 VanDerWaalsContact O-N 3.08Å
151	D	85.4	Confident	83.6	Confident	3 Å²	3	46.8 Å²	46.8	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-20.7	177.8	-65.5	-47.6	0	0	0	112.3	I142 G147 T148 E149 L155 R484 I487	I142-D151 HydrophobicContact CD1-CB 4.28Å; I142-D151 HydrophobicContact CG2-CB 3.6Å; G147-D151 WeakPolarHBondContact CA-OD2 3.26Å; T148-D151 PolarHBondContact N-OD2 3.28Å; T148-D151 WeakPolarHBondContact O-CB 3.2Å; T148-D151 PolarHBondContact O-N 2.9Å; E149-D151 VanDerWaalsContact C-N 3.26Å; E149-D151 PolarHBondContact O-N 3.17Å; D151-L155 WeakPolarHBondContact O-CB 3.27Å; D151-L155 PolarHBondContact O-N 3.04Å; D151-R484 IonicContact OD1-CZ 3.72Å; D151-R484 VanDerWaalsContact OD1-CZ 3.25Å; D151-R484 IonicContact OD1-NH1 2.82Å; D151-R484 PolarHBondContact OD1-NH1 3.13Å; D151-R484 VanDerWaalsContact OD1-NH1 3.08Å; D151-R484 IonicContact OD1-NH2 3.23Å; D151-R484 PolarHBondContact OD1-NH2 3.35Å; D151-I487 WeakPolarHBondContact OD2-CD1 3.46Å
152	F	86.6	Confident	82.5	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-74	-42.9	171.1	-58.6	-16.8	0	0	0	111.3	F114 M139 I142 K143 E149 E150 L154 L155 D156	F114-F152 HydrophobicContact CE2-CZ 4.39Å; F114-F152 AromaticContact CZ-CZ 3.8Å; F114-F152 HydrophobicContact CZ-CZ 3.8Å; M139-F152 HydrophobicContact CB-CD1 4.04Å; M139-F152 HydrophobicContact CB-CE1 3.59Å; M139-F152 HydrophobicContact CB-CZ 3.81Å; M139-F152 HydrophobicContact CE-CD1 4.47Å; M139-F152 HydrophobicContact CE-CD2 3.5Å; M139-F152 VanDerWaalsContact CE-CD2 3.5Å; M139-F152 HydrophobicContact CE-CE1 4.49Å; M139-F152 HydrophobicContact CE-CE2 3.51Å; M139-F152 HydrophobicContact CE-CG 3.97Å; M139-F152 HydrophobicContact CE-CZ 4Å; M139-F152 HydrophobicContact CG-CD1 3.81Å; M139-F152 HydrophobicContact CG-CE1 3.91Å; M139-F152 HydrophobicContact CG-CG 4.1Å; M139-F152 HydrophobicContact CG-CZ 4.25Å; M139-F152 WeakPolarHBondContact O-CE1 3.46Å; I142-F152 HydrophobicContact CB-CD1 4.34Å; I142-F152 HydrophobicContact CB-CE1 3.99Å; I142-F152 HydrophobicContact CD1-CD1 3.91Å; I142-F152 HydrophobicContact CD1-CE1 4.35Å; I142-F152 HydrophobicContact CG2-CD1 4.04Å; I142-F152 HydrophobicContact CG2-CE1 3.82Å; K143-F152 HydrophobicContact CD-CZ 4.03Å; K143-F152 VanDerWaalsContact CE-CE2 3.5Å; K143-F152 HydrophobicContact CG-CE1 3.94Å; K143-F152 HydrophobicContact CG-CZ 3.61Å; E149-F152 VanDerWaalsContact CD-CE2 3.47Å; E149-F152 HydrophobicContact CG-CD2 4.08Å; E149-F152 VanDerWaalsContact O-CB 3.29Å; E149-F152 WeakPolarHBondContact O-CB 3.13Å; E149-F152 PolarHBondContact O-N 2.99Å; E149-F152 WeakPolarHBondContact OE1-CD2 3.38Å; E149-F152 VanDerWaalsContact OE1-CE2 3.31Å; E149-F152 WeakPolarHBondContact OE1-CE2 3.48Å; E149-F152 WeakPolarHBondContact OE2-CE2 3.47Å; E150-F152 PolarHBondContact O-N 3.27Å; F152-L154 PolarHBondContact O-N 3.44Å; F152-L155 WeakPolarHBondContact O-CA 3.41Å; F152-L155 WeakPolarHBondContact O-CB 3.35Å; F152-L155 PolarHBondContact O-N 3.25Å; F152-D156 PolarHBondContact O-N 3.16Å
153	I	85.7	Confident	81.2	Confident	109 Å²	109	56.8 Å²	56.8	56%	0.559	29%	0.291	S	S	*	.	H	α-helix	trans	-59.7	-39.9	174.8	-57	174	0	0	0	109.8	E149 E150 D156 K157	E149-I153 PolarHBondContact O-N 3.07Å; E150-I153 PolarHBondContact O-N 3.21Å; I153-D156 PolarHBondContact O-N 3.49Å; I153-K157 WeakPolarHBondContact O-CG 3.41Å; I153-K157 PolarHBondContact O-N 2.83Å
154	L	84.1	Confident	79.7	Confident	37 Å²	37	60 Å²	60	19%	0.194	32%	0.316	C	S	.	.	H	α-helix	trans	-68.4	-33.9	173.4	-67.6	173	0	0	0	113.6	E150 F152 K157 L158 R484 P486	E150-L154 PolarHBondContact O-N 3.35Å; E150-L154 VanDerWaalsContact O-N 3.08Å; F152-L154 PolarHBondContact O-N 3.44Å; L154-K157 HydrophobicContact CD2-CD 4.5Å; L154-L158 WeakPolarHBondContact O-CG 3.45Å; L154-L158 PolarHBondContact O-N 2.87Å; L154-L158 VanDerWaalsContact O-N 3.1Å; L154-R484 HydrophobicContact CD1-CG 4.21Å; L154-P486 HydrophobicContact CB-CG 4Å
155	L	83.8	Confident	78.1	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-63.7	-43.3	173	164.1	62.9	0	0	0	111	R135 D138 M139 I142 D151 F152 L158 R159 P486	R135-L155 HydrophobicContact CG-CD2 4.44Å; D138-L155 HydrophobicContact CB-CD1 4.19Å; D138-L155 HydrophobicContact CB-CD2 3.73Å; M139-L155 HydrophobicContact CG-CD2 3.87Å; I142-L155 HydrophobicContact CD1-CB 4.16Å; I142-L155 HydrophobicContact CD1-CD2 4.07Å; D151-L155 WeakPolarHBondContact O-CB 3.27Å; D151-L155 PolarHBondContact O-N 3.04Å; F152-L155 WeakPolarHBondContact O-CA 3.41Å; F152-L155 WeakPolarHBondContact O-CB 3.35Å; F152-L155 PolarHBondContact O-N 3.25Å; L155-L158 PolarHBondContact O-N 3.18Å; L155-R159 HydrophobicContact CD1-CG 4.2Å; L155-R159 VanDerWaalsContact O-CG 3.27Å; L155-R159 WeakPolarHBondContact O-CG 3.38Å; L155-R159 PolarHBondContact O-N 3.26Å; L155-R159 VanDerWaalsContact O-N 3.09Å; L155-P486 HydrophobicContact CB-CG 4.12Å
156	D	86.4	Confident	76.1	Confident	25 Å²	25	70.3 Å²	70.3	13%	0.134	36%	0.363	C	S	.	.	H	α-helix	trans	-73.1	-41.4	179.7	-71.5	-45.8	0	0	0	112.7	R135 F152 I153 L158 R159 E160	R135-D156 IonicContact CZ-OD1 3.08Å; R135-D156 IonicContact CZ-OD2 2.72Å; R135-D156 VanDerWaalsContact NE-CG 3.35Å; R135-D156 IonicContact NE-OD1 3.16Å; R135-D156 PolarHBondContact NE-OD1 3.48Å; R135-D156 IonicContact NE-OD2 3.32Å; R135-D156 PolarHBondContact NE-OD2 2.9Å; R135-D156 IonicContact NH2-OD2 3.59Å; R135-D156 PolarHBondContact NH2-OD2 3.21Å; F152-D156 PolarHBondContact O-N 3.16Å; I153-D156 PolarHBondContact O-N 3.49Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 PolarHBondContact O-N 3.25Å; D156-R159 WeakPolarHBondContact O-CA 3.31Å; D156-R159 WeakPolarHBondContact O-CB 3.43Å; D156-R159 PolarHBondContact O-N 2.98Å; D156-R159 IonicContact OD1-CZ 3.5Å; D156-R159 IonicContact OD1-NH1 2.73Å; D156-R159 PolarHBondContact OD1-NH1 2.95Å; D156-E160 WeakPolarHBondContact O-CG 3.16Å; D156-E160 PolarHBondContact O-N 3.01Å
157	K	83.6	Confident	73.9	Confident	79 Å²	79	73.6 Å²	73.6	34%	0.343	38%	0.377	S	S	.	.	H	α-helix	trans	-49.6	-50.3	167.9	-79	-176.1	172.3	-177.7	0	111.2	I153 L154 R159 E160 D161 E481	I153-K157 WeakPolarHBondContact O-CG 3.41Å; I153-K157 PolarHBondContact O-N 2.83Å; L154-K157 HydrophobicContact CD2-CD 4.5Å; K157-R159 VanDerWaalsContact C-N 3.26Å; K157-R159 PolarHBondContact O-N 3.08Å; K157-E160 PolarHBondContact O-N 3.03Å; K157-D161 PolarHBondContact O-N 3.07Å; K157-E481 IonicContact NZ-OE1 2.76Å; K157-E481 IonicContact NZ-OE2 3.87Å; K157-E481 PolarHBondContact NZ-OE2 2.81Å
158	L	77	Confident	71.8	Confident	37 Å²	37	80.6 Å²	80.6	19%	0.194	41%	0.412	C	S	.	.	H	α-helix	trans	-68.2	-17.5	177.6	-74	-164	0	0	0	115	L154 L155 D156 R162 R485 P486 Y489	L154-L158 WeakPolarHBondContact O-CG 3.45Å; L154-L158 PolarHBondContact O-N 2.87Å; L154-L158 VanDerWaalsContact O-N 3.1Å; L155-L158 PolarHBondContact O-N 3.18Å; D156-L158 VanDerWaalsContact C-N 3.31Å; D156-L158 PolarHBondContact O-N 3.25Å; L158-R162 WeakPolarHBondContact O-CD 3.41Å; L158-R162 VanDerWaalsContact O-CG 3.31Å; L158-R162 WeakPolarHBondContact O-CG 3.46Å; L158-R485 HydrophobicContact CD1-CG 4.41Å; L158-P486 HydrophobicContact CD1-CG 4.13Å; L158-Y489 HydrophobicContact CD1-CE2 4.47Å
159	R	76.3	Confident	69.6	Low	67 Å²	67	82.5 Å²	82.5	25%	0.253	42%	0.424	S	S	.	.	H	α-helix	trans	-81.8	-40.4	172.8	-72.7	165.7	76.9	-112.9	-2.3	110.2	S131 L155 D156 K157 R162 I163	S131-R159 PolarHBondContact O-NH2 3.08Å; L155-R159 HydrophobicContact CD1-CG 4.2Å; L155-R159 VanDerWaalsContact O-CG 3.27Å; L155-R159 WeakPolarHBondContact O-CG 3.38Å; L155-R159 PolarHBondContact O-N 3.26Å; L155-R159 VanDerWaalsContact O-N 3.09Å; D156-R159 WeakPolarHBondContact O-CA 3.31Å; D156-R159 WeakPolarHBondContact O-CB 3.43Å; D156-R159 PolarHBondContact O-N 2.98Å; D156-R159 IonicContact OD1-CZ 3.5Å; D156-R159 IonicContact OD1-NH1 2.73Å; D156-R159 PolarHBondContact OD1-NH1 2.95Å; K157-R159 VanDerWaalsContact C-N 3.26Å; K157-R159 PolarHBondContact O-N 3.08Å; R159-R162 PolarHBondContact O-N 3.08Å; R159-I163 WeakPolarHBondContact O-CG1 3.38Å; R159-I163 PolarHBondContact O-N 3.33Å
160	E	74.4	Confident	67.2	Low	133 Å²	133	86.9 Å²	86.9	62%	0.621	45%	0.448	S	S	*	.	H	α-helix	trans	-62.9	-47.4	173.9	-67.8	173.2	175.5	0	0	111.8	D156 K157 R162 I163 S164	D156-E160 WeakPolarHBondContact O-CG 3.16Å; D156-E160 PolarHBondContact O-N 3.01Å; K157-E160 PolarHBondContact O-N 3.03Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 3.02Å; E160-I163 WeakPolarHBondContact O-CB 3.4Å; E160-I163 PolarHBondContact O-N 2.91Å; E160-S164 PolarHBondContact O-N 3.08Å
161	D	68.3	Low	65.2	Low	87 Å²	87	87.2 Å²	87.2	47%	0.465	45%	0.452	S	S	.	.	H	α-helix	trans	-51	-48.7	175.7	-73.5	-28.5	0	0	0	111.8	K157 I163 S164 E165	K157-D161 PolarHBondContact O-N 3.07Å; D161-I163 VanDerWaalsContact C-N 3.28Å; D161-I163 PolarHBondContact O-N 3.35Å; D161-S164 WeakPolarHBondContact O-CB 3.47Å; D161-S164 PolarHBondContact O-N 3.35Å; D161-S164 VanDerWaalsContact O-N 3.09Å; D161-S164 PolarHBondContact O-OG 2.69Å; D161-E165 PolarHBondContact O-N 3.36Å
162	R	66.5	Low	62.7	Low	86 Å²	86	95.4 Å²	95.4	33%	0.325	49%	0.491	S	S	.	.	H	α-helix	trans	-65.9	-26.9	-179.4	-72.7	176.9	-176.6	-162	7.5	114	L158 R159 E160 N166 Y489	L158-R162 WeakPolarHBondContact O-CD 3.41Å; L158-R162 VanDerWaalsContact O-CG 3.31Å; L158-R162 WeakPolarHBondContact O-CG 3.46Å; R159-R162 PolarHBondContact O-N 3.08Å; E160-R162 VanDerWaalsContact C-N 3.3Å; E160-R162 PolarHBondContact O-N 3.02Å; R162-N166 PolarHBondContact O-ND2 2.71Å; R162-Y489 PolarHBondContact NH2-OH 3.44Å
163	I	63	Low	60.2	Low	126 Å²	126	100.5 Å²	100.5	65%	0.646	52%	0.524	S	S	*	.	H	α-helix	trans	-73.5	-41.2	173.5	-65.8	163.7	0	0	0	109	R159 E160 D161 E165 N166	R159-I163 WeakPolarHBondContact O-CG1 3.38Å; R159-I163 PolarHBondContact O-N 3.33Å; E160-I163 WeakPolarHBondContact O-CB 3.4Å; E160-I163 PolarHBondContact O-N 2.91Å; D161-I163 VanDerWaalsContact C-N 3.28Å; D161-I163 PolarHBondContact O-N 3.35Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 3.48Å; I163-N166 PolarHBondContact O-N 3.23Å
164	S	58.5	Low	57.7	Low	88 Å²	88	99.7 Å²	99.7	62%	0.615	53%	0.528	S	S	*	.	H	α-helix	trans	-61.2	-35.6	178.4	84.4	0	0	0	0	113.5	E160 D161 N166	E160-S164 PolarHBondContact O-N 3.08Å; D161-S164 WeakPolarHBondContact O-CB 3.47Å; D161-S164 PolarHBondContact O-N 3.35Å; D161-S164 VanDerWaalsContact O-N 3.09Å; D161-S164 PolarHBondContact O-OG 2.69Å; S164-N166 PolarHBondContact O-N 3.13Å; S164-N166 VanDerWaalsContact O-N 3.17Å
165	E	54.5	Low	55.1	Low	152 Å²	152	103 Å²	103	71%	0.71	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-14.1	175.8	-69.3	-172.5	151.5	0	0	113.8	D161 I163 P167	D161-E165 PolarHBondContact O-N 3.36Å; I163-E165 VanDerWaalsContact C-N 3.32Å; I163-E165 PolarHBondContact O-N 3.48Å; E165-P167 VanDerWaalsContact C-CD 3.48Å; E165-P167 WeakPolarHBondContact O-CD 3.4Å
166	N	44.8	Very low	52.3	Low	107 Å²	107	109.9 Å²	109.9	57%	0.572	58%	0.58	S	S	*	*			trans	-126.8	62.6	-169.7	-69	-82.5	0	0	0	114	R162 I163 S164 N168	R162-N166 PolarHBondContact O-ND2 2.71Å; I163-N166 PolarHBondContact O-N 3.23Å; S164-N166 PolarHBondContact O-N 3.13Å; S164-N166 VanDerWaalsContact O-N 3.17Å; N166-N168 PolarHBondContact O-N 3.14Å
167	P	37.9	Very low	49.6	Very low	112 Å²	112	115.7 Å²	115.7	73%	0.727	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	31	-170.2	33	-39.7	0	0	0	115.8	E165	E165-P167 VanDerWaalsContact C-CD 3.48Å; E165-P167 WeakPolarHBondContact O-CD 3.4Å
168	N	37.5	Very low	47	Very low	155 Å²	155	119.3 Å²	119.3	83%	0.829	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	12.5	-175.3	-77.7	-70.3	0	0	0	114.6	N166	N166-N168 PolarHBondContact O-N 3.14Å
169	V	40.4	Very low	44.8	Very low	111 Å²	111	123.3 Å²	123.3	67%	0.673	65%	0.651	S	S	*	*			trans	-127.8	104.5	175.5	179.7	0	0	0	0	109.7	I171	V169-I171 HydrophobicContact CG1-CD1 3.7Å; V169-I171 HydrophobicContact CG1-CG1 3.87Å; V169-I171 PolarHBondContact O-N 3.23Å
170	I	32.7	Very low	42.6	Very low	171 Å²	171	127 Å²	127	88%	0.877	67%	0.671	S	S	*	*			trans	-80.5	107	171.6	-57.7	173.5	0	0	0	108
171	I	42.6	Very low	40.5	Very low	137 Å²	137	127.8 Å²	127.8	70%	0.703	68%	0.679	S	S	*	*			trans	-130.1	130.8	164.3	-68.5	170	0	0	0	106	V169	V169-I171 HydrophobicContact CG1-CD1 3.7Å; V169-I171 HydrophobicContact CG1-CG1 3.87Å; V169-I171 PolarHBondContact O-N 3.23Å
172	E	32.2	Very low	39	Very low	176 Å²	176	132.2 Å²	132.2	82%	0.822	70%	0.702	S	S	*	*			trans	-71	132	177.5	-64.1	175	152.9	0	0	109.4	S174	E172-S174 PolarHBondContact O-N 2.94Å
173	P	34.3	Very low	37.5	Very low	113 Å²	113	135.4 Å²	135.4	73%	0.734	72%	0.721	S	S	*	*			trans	-71.1	122.6	180	28.3	-33.3	0	0	0	110.5	T175	P173-T175 PolarHBondContact O-N 3.14Å
174	S	33.2	Very low	36	Very low	93 Å²	93	133 Å²	133	65%	0.65	71%	0.713	S	S	*	*			trans	-72.3	94.9	167.4	49.8	0	0	0	0	109.4	E172 F176	E172-S174 PolarHBondContact O-N 2.94Å; S174-F176 PolarHBondContact O-N 3.26Å
175	T	29.6	Very low	35	Very low	106 Å²	106	136.4 Å²	136.4	65%	0.65	72%	0.724	S	S	*	*			trans	-57.1	101.5	-175.4	-55.5	0	0	0	0	113	P173 Q177	P173-T175 PolarHBondContact O-N 3.14Å; T175-Q177 HydrophobicContact CG2-CG 3.76Å; T175-Q177 PolarHBondContact O-N 3.41Å
176	F	25.4	Very low	33.9	Very low	146 Å²	146	136.2 Å²	136.2	64%	0.64	73%	0.728	S	S	*	*			trans	-82.3	99.7	159.5	-108.9	-92.1	0	0	0	108.5	N122 S174	N122-F176 HydrophobicContact CB-CZ 4.29Å; S174-F176 PolarHBondContact O-N 3.26Å
177	Q	29.5	Very low	33.7	Very low	148 Å²	148	137.8 Å²	137.8	69%	0.692	74%	0.737	S	S	*	*			trans	-89.1	118.3	168.5	-92.4	167.9	-2.2	0	0	109.7	T175 T179	T175-Q177 HydrophobicContact CG2-CG 3.76Å; T175-Q177 PolarHBondContact O-N 3.41Å; Q177-T179 HydrophobicContact CB-CG2 4.08Å; Q177-T179 PolarHBondContact O-N 2.86Å; Q177-T179 VanDerWaalsContact O-N 3.17Å
178	H	28.8	Very low	33.6	Very low	154 Å²	154	139 Å²	139	71%	0.713	74%	0.736	S	S	*	*			trans	-66.9	104.3	155.9	-109.2	-103.3	0	0	0	107.4
179	T	30.6	Very low	33.5	Very low	121 Å²	121	136.9 Å²	136.9	74%	0.742	73%	0.728	S	S	*	*			trans	-97.7	80.3	173.5	55.3	0	0	0	0	109.9	Q177	Q177-T179 HydrophobicContact CB-CG2 4.08Å; Q177-T179 PolarHBondContact O-N 2.86Å; Q177-T179 VanDerWaalsContact O-N 3.17Å
180	E	29.6	Very low	33.2	Very low	144 Å²	144	139.4 Å²	139.4	67%	0.673	73%	0.733	S	S	*	*			trans	-86.8	132.1	160.6	-66.6	-175.6	-173.3	0	0	109.3
181	N	30	Very low	33.1	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	73%	0.729	S	S	*	*			trans	69.5	103.9	171.1	-40.9	-72.3	0	0	0	117.1
182	L	38.4	Very low	32.8	Very low	180 Å²	180	135.9 Å²	135.9	94%	0.942	74%	0.735	S	S	*	*			trans	-163	136.3	140.3	-106.2	166	0	0	0	108.9
183	E	34.7	Very low	32.8	Very low	154 Å²	154	134.6 Å²	134.6	72%	0.72	73%	0.734	S	S	*	*			trans	-77.4	153.4	-163.4	-64.1	176.4	150	0	0	114.6
184	P	31.8	Very low	32.8	Very low	76 Å²	76	136.1 Å²	136.1	49%	0.494	73%	0.734	S	S	.	*			trans	-75	161.5	176.7	32.6	-35.8	0	0	0	112.8	E399	P184-E399 WeakPolarHBondContact CD-OE1 3.46Å; P184-E399 VanDerWaalsContact CG-OE2 3.25Å; P184-E399 WeakPolarHBondContact CG-OE2 3.38Å
185	N	36.9	Very low	32.9	Very low	158 Å²	158	143 Å²	143	85%	0.845	75%	0.746	S	S	*	*			trans	-145.2	104.3	164.8	-105.8	-97.4	0	0	0	109.4
186	D	31.2	Very low	33	Very low	149 Å²	149	147.3 Å²	147.3	80%	0.797	76%	0.759	S	S	*	*			trans	-62.5	144.1	172.8	-88.2	-47.9	0	0	0	112.2
187	N	39.8	Very low	33.4	Very low	140 Å²	140	143.7 Å²	143.7	75%	0.749	76%	0.763	S	S	*	*			trans	-164.5	87.1	142.7	-105.2	-69.1	0	0	0	113.2
188	I	36.2	Very low	33.8	Very low	138 Å²	138	142.2 Å²	142.2	71%	0.708	77%	0.766	S	S	*	*				69.1	111.3	118.4	-72.9	177.8	0	0	0	119.3
189	V	35.1	Very low	33.8	Very low	110 Å²	110	144 Å²	144	67%	0.667	77%	0.772	S	S	*	*			trans	109.2	95.4	135	164.2	0	0	0	0	122
190	Q	34.5	Very low	34.2	Very low	164 Å²	164	146 Å²	146	77%	0.766	78%	0.778	S	S	*	*				59.7	108	124.9	-58.2	172	-15.1	0	0	122.4
191	S	31.1	Very low	34.4	Very low	113 Å²	113	147.5 Å²	147.5	79%	0.79	78%	0.783	S	S	*	*				34.4	124.3	110	-41.9	0	0	0	0	121.2
192	S	36.2	Very low	34.9	Very low	121 Å²	121	149.9 Å²	149.9	85%	0.846	79%	0.789	S	S	*	*				-179.4	158.8	110.8	36.2	0	0	0	0	113.1
193	D	32.4	Very low	34.7	Very low	149 Å²	149	150.2 Å²	150.2	80%	0.797	78%	0.783	S	S	*	*			trans	-76.6	170.6	-174.7	-41.6	-99.7	0	0	0	114
194	I	33.5	Very low	34.7	Very low	144 Å²	144	152.3 Å²	152.3	74%	0.738	79%	0.79	S	S	*	*				160.6	123.5	124.5	-83.6	161.8	0	0	0	114.1
195	R	36.6	Very low	35	Very low	238 Å²	238	155 Å²	155	90%	0.898	80%	0.8	S	S	*	*			trans	76.7	137.4	151.5	-84.7	169.6	-178.5	148.3	1.4	124
196	E	31.3	Very low	35	Very low	197 Å²	197	151.5 Å²	151.5	92%	0.921	79%	0.793	S	S	*	*			trans	-81.6	167.6	161.9	-45.8	164.4	111.2	0	0	112.6
197	G	32.4	Very low	35.2	Very low	70 Å²	70	149.8 Å²	149.8	72%	0.722	79%	0.793	S	S	*	*			trans	-178.8	139.7	164	0	0	0	0	0	112.9
198	P	37.9	Very low	35.1	Very low	117 Å²	117	150 Å²	150	76%	0.76	80%	0.8	S	S	*	*			trans	-111.7	163.9	-154	8.4	15.7	0	0	0	116.5
199	F	28.9	Very low	35.1	Very low	192 Å²	192	149.2 Å²	149.2	84%	0.842	80%	0.801	S	S	*	*			trans	20.9	132.2	153.8	-71.4	-82	0	0	0	121
200	D	38.9	Very low	35.3	Very low	163 Å²	163	154.9 Å²	154.9	87%	0.872	81%	0.811	S	S	*	*				-152.2	172.1	121	-131.6	-29.3	0	0	0	114.1
201	K	35.1	Very low	35.5	Very low	175 Å²	175	154.4 Å²	154.4	76%	0.761	81%	0.813	S	S	*	*			trans	-114	147.3	-177.5	-59.2	158.3	-175.2	153.2	0	111.2
202	E	39.3	Very low	35.6	Very low	199 Å²	199	158.6 Å²	158.6	93%	0.93	82%	0.817	S	S	*	*				-174.5	-178.9	123.6	-106.6	-179.8	-168.5	0	0	114
203	K	35.8	Very low	36	Very low	187 Å²	187	158.9 Å²	158.9	81%	0.813	82%	0.816	S	S	*	*			trans	-104.7	152.6	-171.3	-52.2	169	-178.7	172.1	0	112.2
204	F	34.4	Very low	36.3	Very low	199 Å²	199	161 Å²	161	87%	0.873	82%	0.818	S	S	*	*				-155.5	171.7	124.5	-137.7	-103.2	0	0	0	112.8
205	D	37	Very low	36.6	Very low	131 Å²	131	160 Å²	160	70%	0.701	82%	0.822	S	S	*	*			trans	-104.6	173.3	-156.8	-69.8	-65.8	0	0	0	116.8
206	A	36.7	Very low	36.7	Very low	86 Å²	86	156.9 Å²	156.9	71%	0.711	82%	0.823	S	S	*	*			trans	87.8	90.8	146.2	0	0	0	0	0	121.2
207	S	35.9	Very low	36.8	Very low	112 Å²	112	157 Å²	157	78%	0.783	82%	0.816	S	S	*	*				63.8	116.8	127.1	64	0	0	0	0	122.1
208	T	36.9	Very low	36.8	Very low	146 Å²	146	159.8 Å²	159.8	90%	0.896	82%	0.823	S	S	*	*				-152.6	147.5	120.6	-78.4	0	0	0	0	109.3
209	T	37	Very low	36.5	Very low	121 Å²	121	158.8 Å²	158.8	74%	0.742	81%	0.811	S	S	*	*			trans	-99.4	139	-166.8	55.4	0	0	0	0	114.5
210	R	39.1	Very low	37	Very low	229 Å²	229	155.4 Å²	155.4	86%	0.864	81%	0.812	S	S	*	*			trans	-171.9	138.4	132.3	-104.2	156.3	-172.6	-175.5	2.6	114.1
211	N	38.4	Very low	36.7	Very low	154 Å²	154	151 Å²	151	82%	0.824	79%	0.794	S	S	*	*			trans	57.9	122.8	151.4	-55.7	-3	0	0	0	120.9
212	K	34.1	Very low	36.8	Very low	200 Å²	200	152 Å²	152	87%	0.87	80%	0.798	S	S	*	*			trans	-132.9	137.5	161.6	-99.3	-169.8	175.3	-175.2	0	109.5
213	P	44.6	Very low	36.6	Very low	127 Å²	127	149.5 Å²	149.5	83%	0.825	80%	0.796	S	S	*	*			trans	-72.6	168.8	159.6	-11.4	28.3	0	0	0	111.6
214	K	38.4	Very low	36.7	Very low	194 Å²	194	148.7 Å²	148.7	84%	0.843	80%	0.795	S	S	*	*			trans	-118.2	155.2	168.9	-69.5	179.6	179.9	177.2	0	109.4
215	P	39.3	Very low	36.8	Very low	124 Å²	124	148 Å²	148	81%	0.805	79%	0.792	S	S	*	*			trans	-74.4	146.3	166	32.7	-34.1	0	0	0	110.8
216	D	38.4	Very low	36.8	Very low	172 Å²	172	152.8 Å²	152.8	92%	0.92	80%	0.8	S	S	*	*			trans	-84.8	163.9	178.1	-84.1	-45.7	0	0	0	113.5
217	Y	35.2	Very low	36.8	Very low	198 Å²	198	156.8 Å²	156.8	78%	0.776	80%	0.801	S	S	*	*			trans	-146.8	133.8	-168.2	177.9	-95.1	0	0	0	110.7	D219	Y217-D219 HydrophobicContact CE1-CB 3.7Å
218	C	31.3	Very low	36.6	Very low	129 Å²	129	158.7 Å²	158.7	87%	0.872	80%	0.798	S	S	*	*			trans	-133.6	75.3	176.8	56.3	0	0	0	0	113.5
219	D	32.8	Very low	36.3	Very low	96 Å²	96	157 Å²	157	51%	0.513	79%	0.792	S	S	.	*			trans	-86.1	145.4	146.8	179.4	25.5	0	0	0	109	Y217 S221	Y217-D219 HydrophobicContact CE1-CB 3.7Å; D219-S221 PolarHBondContact OD1-N 3.49Å
220	S	37.8	Very low	36.4	Very low	122 Å²	122	163 Å²	163	85%	0.853	80%	0.801	S	S	*	*			trans	-154.8	70.4	172.3	-81.2	0	0	0	0	110.9
221	S	33.9	Very low	36.2	Very low	71 Å²	71	159.9 Å²	159.9	50%	0.497	80%	0.8	S	S	.	*			trans	-81.9	138.4	169.9	62.1	0	0	0	0	112.8	D219	D219-S221 PolarHBondContact OD1-N 3.49Å
222	K	35.6	Very low	36.2	Very low	196 Å²	196	160.8 Å²	160.8	85%	0.852	80%	0.797	S	S	*	*			trans	78.8	121.3	173.6	-45	147.2	-171.9	159	0	116.7
223	V	35.5	Very low	36.3	Very low	146 Å²	146	161.8 Å²	161.8	89%	0.885	80%	0.795	S	S	*	*				-155.5	149.2	114.9	141.3	0	0	0	0	108.4
224	Q	38.6	Very low	35.8	Very low	170 Å²	170	165.5 Å²	165.5	79%	0.794	79%	0.792	S	S	*	*			trans	-107.3	136.8	176.4	-58.4	168	-23.8	0	0	110.4
225	K	37.4	Very low	35.9	Very low	184 Å²	184	163.9 Å²	163.9	80%	0.8	79%	0.788	S	S	*	*				157.8	150.4	129.6	-89.7	161	-178.3	170.7	0	114.3
226	R	36.1	Very low	35.8	Very low	231 Å²	231	165 Å²	165	87%	0.872	79%	0.787	S	S	*	*			trans	63.3	111.7	161.1	-68.7	166.7	169	169.7	-6.4	115.6
227	K	36.1	Very low	35.6	Very low	170 Å²	170	164.1 Å²	164.1	74%	0.739	78%	0.782	S	S	*	*				73.7	107.2	65.2	-82.3	-169.4	156.1	-78	0	115
228	E	32.8	Very low	36.1	Very low	153 Å²	153	159.8 Å²	159.8	72%	0.715	78%	0.778	S	S	*	*			trans	29.2	111.3	130.1	-55.9	158.8	115.7	0	0	117.8
229	S	30.3	Very low	36.6	Very low	111 Å²	111	160.2 Å²	160.2	78%	0.776	77%	0.772	S	S	*	*				164.3	135.1	115	49	0	0	0	0	112.7
230	R	38.1	Very low	37.1	Very low	247 Å²	247	164.2 Å²	164.2	93%	0.932	79%	0.788	S	S	*	*				179	103.6	128.3	-100.9	169.6	179.7	-170	-1.6	112.7
231	I	36.2	Very low	37.3	Very low	162 Å²	162	167.8 Å²	167.8	83%	0.831	79%	0.791	S	S	*	*			trans	-81.1	124.5	145.4	-60.9	168	0	0	0	106.5
232	K	37.7	Very low	37.6	Very low	174 Å²	174	174 Å²	174	76%	0.757	81%	0.812	S	S	*	*			trans	160.2	130.7	144.1	-93.8	162	-176.5	175	0	112
233	R	35.6	Very low	38	Very low	221 Å²	221	168.1 Å²	168.1	83%	0.834	81%	0.807	S	S	*	*			trans	54.3	145.8	131.7	-67.1	179.2	176.5	-177.2	-3.2	119
234	R	34.9	Very low	38.2	Very low	204 Å²	204	170.3 Å²	170.3	77%	0.77	81%	0.808	S	S	*	*			cis	174.2	165.6	-10.5	-159.2	-176.9	-171.9	-166.1	0.9	104.5
235	Q	40.1	Very low	38.2	Very low	161 Å²	161	169.4 Å²	169.4	75%	0.752	81%	0.808	S	S	*	*			trans	72	138	168.2	-52.8	159.7	-86.5	0	0	113.4
236	N	36.7	Very low	38.4	Very low	147 Å²	147	166 Å²	166	79%	0.786	81%	0.807	S	S	*	*			cis	-132.2	165.3	23.8	-68.2	-52.8	0	0	0	114.5
237	N	35.7	Very low	38.5	Very low	153 Å²	153	159.6 Å²	159.6	82%	0.818	80%	0.798	S	S	*	*			trans	-94.2	-169.7	164.2	-72.7	34.3	0	0	0	109.1
238	P	44.7	Very low	38.8	Very low	107 Å²	107	159.4 Å²	159.4	70%	0.695	80%	0.804	S	S	*	*			cis	-119	-158.5	-3.3	17.5	12.1	0	0	0	111.7
239	D	42.8	Very low	39.3	Very low	139 Å²	139	156.6 Å²	156.6	74%	0.743	80%	0.802	S	S	*	*			cis	-151.2	177.4	44.2	-63.4	-50.5	0	0	0	115.3
240	E	41.9	Very low	40	Very low	180 Å²	180	158.4 Å²	158.4	84%	0.841	80%	0.803	S	S	*	*			trans	-47.4	168.4	-171.5	-71.8	141.9	-165.4	0	0	117.6
241	E	43.2	Very low	40.5	Very low	196 Å²	196	154.5 Å²	154.5	92%	0.916	80%	0.8	S	S	*	*			cis	-128	-164	24.9	-59.9	176.3	87.4	0	0	114.3
242	E	39	Very low	40.7	Very low	203 Å²	203	154 Å²	154	95%	0.949	79%	0.794	S	S	*	*			trans	-139.3	168.4	-167.9	-46.9	-172.8	102.9	0	0	115.4
243	G	44.7	Very low	41.3	Very low	72 Å²	72	151.1 Å²	151.1	74%	0.742	80%	0.796	S	S	*	*			trans	119.3	159.6	171.6	0	0	0	0	0	117.3
244	E	38.8	Very low	41.5	Very low	192 Å²	192	146.9 Å²	146.9	90%	0.897	79%	0.79	S	S	*	*				-169.5	170.3	-71.5	-99.3	-169.1	157.4	0	0	109.2
245	D	38.9	Very low	41.9	Very low	150 Å²	150	144.9 Å²	144.9	80%	0.802	80%	0.795	S	S	*	*			trans	76.8	127.5	165.8	-83.7	-18.6	0	0	0	125.6
246	S	41.3	Very low	41.8	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	80%	0.796	S	S	*	*			trans	70.6	155.9	147.4	75	0	0	0	0	121.6
247	S	38.1	Very low	42.1	Very low	98 Å²	98	139.4 Å²	139.4	69%	0.685	80%	0.799	S	S	*	*			cis	-174	141	-29.3	57.7	0	0	0	0	113.1
248	L	42.5	Very low	42.2	Very low	165 Å²	165	137.6 Å²	137.6	86%	0.864	80%	0.798	S	S	*	*			trans	65	163	162.6	-56.4	167.7	0	0	0	116.6
249	S	44.9	Very low	42	Very low	95 Å²	95	140.5 Å²	140.5	66%	0.664	81%	0.808	S	S	*	*			cis	-149	141.2	8.3	54.5	0	0	0	0	114.1
250	D	43.9	Very low	41.7	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	81%	0.805	S	S	*	*			trans	45.5	124.9	133	-41.8	-27.9	0	0	0	123.7
251	D	48.1	Very low	41.7	Very low	164 Å²	164	138.6 Å²	138.6	88%	0.877	81%	0.809	S	S	*	*				-164.5	153.8	106.3	-149.1	-16.4	0	0	0	111.5
252	E	41.9	Very low	41.1	Very low	151 Å²	151	136.8 Å²	136.8	71%	0.706	81%	0.806	S	S	*	*			trans	-151.8	134.3	-165.4	-100.3	-101.3	158.6	0	0	115.7	N254	E252-N254 PolarHBondContact OE2-ND2 2.96Å
253	S	48.9	Very low	41.1	Very low	114 Å²	114	132.4 Å²	132.4	80%	0.797	80%	0.798	S	S	*	*			trans	-178.5	122	147	29.8	0	0	0	0	110.3
254	N	40.8	Very low	40.8	Very low	133 Å²	133	137.6 Å²	137.6	71%	0.711	80%	0.802	S	S	*	*			cis	78.5	94.8	49.4	-69.1	-53.1	0	0	0	115.6	E252	E252-N254 PolarHBondContact OE2-ND2 2.96Å
255	D	42.3	Very low	40.9	Very low	162 Å²	162	134 Å²	134	87%	0.866	80%	0.799	S	S	*	*				-154.4	148.9	111.8	-170.1	20.1	0	0	0	110.3
256	S	39.3	Very low	40.9	Very low	111 Å²	111	130.3 Å²	130.3	78%	0.776	80%	0.795	S	S	*	*			trans	-160.1	129	174.1	64.2	0	0	0	0	111.7
257	G	43	Very low	40.6	Very low	82 Å²	82	132.4 Å²	132.4	85%	0.845	80%	0.798	S	S	*	*			trans	-146.2	99.2	-179.3	0	0	0	0	0	112.5
258	S	38.2	Very low	40.6	Very low	114 Å²	114	133 Å²	133	80%	0.797	80%	0.802	S	S	*	*			trans	-100.5	140.2	166.9	60.5	0	0	0	0	110.2
259	D	39.1	Very low	40.4	Very low	168 Å²	168	129.9 Å²	129.9	90%	0.898	79%	0.794	S	S	*	*			trans	-154.6	159.1	149.1	-128	-28	0	0	0	113.1
260	S	36.5	Very low	40.1	Very low	100 Å²	100	130.8 Å²	130.8	70%	0.699	80%	0.801	S	S	*	*			trans	-144.5	136	-169.3	67.1	0	0	0	0	113.5
261	I	41.5	Very low	39.8	Very low	179 Å²	179	128.1 Å²	128.1	92%	0.918	79%	0.794	S	S	*	*			trans	-154.2	149.2	162.8	22	173.3	0	0	0	113.6
262	N	32.1	Very low	39.4	Very low	159 Å²	159	127.3 Å²	127.3	85%	0.85	79%	0.789	S	S	*	*			trans	-94.8	144.2	173	-77.2	-46.1	0	0	0	112
263	S	37.8	Very low	39.3	Very low	111 Å²	111	127 Å²	127	78%	0.776	79%	0.792	S	S	*	*			trans	175.5	117.9	141.2	46.6	0	0	0	0	109.3
264	H	40	Very low	38.7	Very low	180 Å²	180	126.6 Å²	126.6	83%	0.833	79%	0.789	S	S	*	*				91	110.4	68	-92.8	-56.7	0	0	0	115.8
265	S	40	Very low	38.6	Very low	118 Å²	118	126 Å²	126	83%	0.825	79%	0.791	S	S	*	*			trans	67.2	123.9	141	59	0	0	0	0	123.2
266	G	38.8	Very low	38.4	Very low	71 Å²	71	125.6 Å²	125.6	73%	0.732	79%	0.789	S	S	*	*			trans	94.8	156.2	143.9	0	0	0	0	0	117.1
267	D	35.7	Very low	38.3	Very low	157 Å²	157	124.3 Å²	124.3	84%	0.84	79%	0.793	S	S	*	*			cis	-172.9	151	-25	-133.1	-29.6	0	0	0	108.1
268	S	38.3	Very low	38.1	Very low	110 Å²	110	126 Å²	126	77%	0.769	79%	0.791	S	S	*	*			trans	63.3	158.9	171.8	-58	0	0	0	0	117.5
269	S	37.2	Very low	38	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	79%	0.786	S	S	*	*			cis	-170.2	161.2	-23.8	58.1	0	0	0	0	109.8
270	S	38.1	Very low	37.9	Very low	115 Å²	115	122.1 Å²	122.1	80%	0.804	78%	0.778	S	S	*	*			trans	72.4	148.1	164.2	-57.2	0	0	0	0	117.4
271	S	38.8	Very low	37.9	Very low	93 Å²	93	122.7 Å²	122.7	65%	0.65	78%	0.782	S	S	*	*			cis	-170.9	143.4	-10	48.8	0	0	0	0	114.9
272	N	39.2	Very low	37.8	Very low	146 Å²	146	119.6 Å²	119.6	78%	0.781	78%	0.776	S	S	*	*			trans	79.1	148.8	143.1	-62.6	-7.3	0	0	0	124.2
273	N	39	Very low	38.1	Very low	145 Å²	145	119.5 Å²	119.5	78%	0.775	78%	0.776	S	S	*	*			trans	76.2	112.1	167	-56.7	-17.1	0	0	0	116.7
274	S	37.5	Very low	38.3	Very low	105 Å²	105	119.4 Å²	119.4	73%	0.734	78%	0.775	S	S	*	*			cis	77.9	138.8	47.5	-52.5	0	0	0	0	112.7
275	T	39.1	Very low	38.4	Very low	122 Å²	122	115.3 Å²	115.3	75%	0.748	77%	0.766	S	S	*	*			cis	-148.6	167.6	20.3	49.2	0	0	0	0	110.9
276	N	37.8	Very low	38.5	Very low	153 Å²	153	117 Å²	117	82%	0.818	77%	0.766	S	S	*	*			cis	-170.6	169.1	-15.9	-92.5	-2.6	0	0	0	107.8
277	G	36.3	Very low	39	Very low	84 Å²	84	122 Å²	122	87%	0.866	78%	0.776	S	S	*	*			trans	171.8	80	171.9	0	0	0	0	0	116.4
278	S	38.2	Very low	39.5	Very low	116 Å²	116	122.1 Å²	122.1	81%	0.811	78%	0.777	S	S	*	*			trans	-86	173.3	177.9	54.7	0	0	0	0	112.6
279	S	37	Very low	39.8	Very low	97 Å²	97	123.4 Å²	123.4	68%	0.678	78%	0.775	S	S	*	*			cis	-160.2	143.1	21.4	37.9	0	0	0	0	108.7
280	S	36.8	Very low	40	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	78%	0.78	S	S	*	*				61	141.6	58.6	75.5	0	0	0	0	115.5
281	S	37	Very low	39.9	Very low	112 Å²	112	123.5 Å²	123.5	78%	0.783	78%	0.775	S	S	*	*			cis	171	114.6	-35.5	46.6	0	0	0	0	109.2
282	S	39.9	Very low	39.9	Very low	114 Å²	114	125.2 Å²	125.2	80%	0.797	79%	0.787	S	S	*	*			trans	-175.3	139	179.2	49.7	0	0	0	0	109.7
283	D	38	Very low	40	Very low	158 Å²	158	123.4 Å²	123.4	85%	0.845	79%	0.785	S	S	*	*			cis	78.8	145.5	2.5	-132.8	-33.5	0	0	0	118.5
284	S	41.6	Very low	40	Very low	108 Å²	108	123.6 Å²	123.6	76%	0.755	79%	0.786	S	S	*	*			trans	60.2	150.1	-167.8	69	0	0	0	0	116.9
285	S	42.6	Very low	40	Very low	94 Å²	94	123.6 Å²	123.6	66%	0.657	79%	0.787	S	S	*	*			cis	-168.1	153.7	-25.6	48.9	0	0	0	0	109.1
286	D	41.3	Very low	40.1	Very low	154 Å²	154	123 Å²	123	82%	0.824	79%	0.787	S	S	*	*			trans	50.4	120.9	157	-46.4	-24.9	0	0	0	120.9
287	D	50.4	Low	40.1	Very low	175 Å²	175	122.7 Å²	122.7	94%	0.936	79%	0.786	S	S	*	*			trans	-156.9	128.3	145.5	-110.8	-26.5	0	0	0	108.1
288	D	45.8	Very low	40.2	Very low	161 Å²	161	123.1 Å²	123.1	86%	0.861	78%	0.776	S	S	*	*			trans	-122.5	177.5	-171	-117.4	-38.1	0	0	0	111.3
289	D	44.5	Very low	40	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	77%	0.77	S	S	*	*			trans	74.5	130.4	165.5	-84.6	-27.6	0	0	0	121.8
290	N	40.5	Very low	40	Very low	149 Å²	149	122.5 Å²	122.5	80%	0.797	77%	0.771	S	S	*	*			trans	36.9	142.7	137.5	-52.3	-52.7	0	0	0	122.4
291	G	37.1	Very low	40	Very low	68 Å²	68	122.1 Å²	122.1	70%	0.701	77%	0.768	S	S	*	*			cis	155.6	155.9	0.4	0	0	0	0	0	112.7
292	S	38	Very low	40.2	Very low	128 Å²	128	122.5 Å²	122.5	90%	0.895	77%	0.766	S	S	*	*			trans	30.6	115.3	163.9	-63.4	0	0	0	0	121.5
293	S	41.4	Very low	40.1	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	76%	0.764	S	S	*	*				-169.4	121.3	119.4	62	0	0	0	0	114.8
294	N	39	Very low	40.5	Very low	149 Å²	149	122.7 Å²	122.7	80%	0.797	76%	0.758	S	S	*	*				35.5	121.7	126	-59.2	3.2	0	0	0	119.4
295	S	37.3	Very low	40.5	Very low	106 Å²	106	124 Å²	124	74%	0.741	76%	0.757	S	S	*	*			cis	93.4	101.2	43.3	75.4	0	0	0	0	115.3
296	S	41.7	Very low	40.5	Very low	109 Å²	109	127.2 Å²	127.2	76%	0.762	77%	0.767	S	S	*	*			trans	170.2	147.2	160	55.6	0	0	0	0	109.3
297	N	38	Very low	40.4	Very low	147 Å²	147	127 Å²	127	79%	0.786	77%	0.765	S	S	*	*			cis	-162.7	166.5	-13.7	-118.6	5.5	0	0	0	111.3
298	S	37.5	Very low	40	Very low	93 Å²	93	127 Å²	127	65%	0.65	76%	0.762	S	S	*	*			trans	-9	154.1	146.6	58.3	0	0	0	0	119.3
299	S	35.2	Very low	39.5	Very low	98 Å²	98	128 Å²	128	69%	0.685	76%	0.759	S	S	*	*			cis	178.6	-168.9	0.7	47.8	0	0	0	0	109.7
300	S	36.6	Very low	39.2	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	77%	0.765	S	S	*	*			trans	65.9	136.9	163.9	41.7	0	0	0	0	117.3
301	S	36	Very low	38.9	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	76%	0.764	S	S	*	*			cis	128.4	160	1	62.3	0	0	0	0	109.6
302	T	41.5	Very low	38.9	Very low	121 Å²	121	139.8 Å²	139.8	74%	0.742	78%	0.775	S	S	*	*			trans	69.1	149.3	-175.8	73.1	0	0	0	0	115.5
303	D	39.4	Very low	38.7	Very low	139 Å²	139	143.5 Å²	143.5	74%	0.743	78%	0.775	S	S	*	*			cis	-167.1	-167.4	-35.6	-96.1	-36.3	0	0	0	106.7
304	D	45.1	Very low	38.5	Very low	136 Å²	136	145 Å²	145	73%	0.727	78%	0.78	S	S	*	*			trans	73.5	87.9	161.3	-62.9	-41	0	0	0	120.5
305	N	41.6	Very low	38.1	Very low	137 Å²	137	143.1 Å²	143.1	73%	0.733	78%	0.778	S	S	*	*				59.5	159.7	105.3	-63.6	-46	0	0	0	123.4
306	D	42	Very low	38.1	Very low	161 Å²	161	146.3 Å²	146.3	86%	0.861	79%	0.785	S	S	*	*			trans	87.1	131.3	158	-66.7	-12.8	0	0	0	122.2
307	D	40.3	Very low	37.8	Very low	149 Å²	149	146 Å²	146	80%	0.797	78%	0.783	S	S	*	*			trans	-59.9	152.6	176.8	-88.7	-66.6	0	0	0	115.3
308	M	42.2	Very low	37.8	Very low	174 Å²	174	148.8 Å²	148.8	86%	0.857	79%	0.788	S	S	*	*				-177.4	141.4	110.3	-99.4	-69.8	170	0	0	114
309	K	33.9	Very low	37.9	Very low	184 Å²	184	148.3 Å²	148.3	80%	0.8	79%	0.785	S	S	*	*			trans	-62.4	137.1	160.8	-74.3	166.9	176.6	161.1	0	109.5
310	H	38.8	Very low	38	Very low	183 Å²	183	151.3 Å²	151.3	85%	0.847	79%	0.793	S	S	*	*				-169	155.8	120.3	-101.1	-63.1	0	0	0	114.6
311	Q	34.6	Very low	38	Very low	167 Å²	167	149.8 Å²	149.8	78%	0.78	79%	0.793	S	S	*	*			trans	-67.5	144.7	-175.2	-51.4	160.3	8.9	0	0	113.1
312	R	37.5	Very low	38.3	Very low	249 Å²	249	150.1 Å²	150.1	94%	0.94	80%	0.796	S	S	*	*				-169.6	149	124.7	-103.2	151.7	-169.4	-162.7	2.8	114
313	K	33	Very low	38.2	Very low	206 Å²	206	152 Å²	152	90%	0.896	80%	0.802	S	S	*	*			trans	-87.3	129.4	175.6	-59.9	164.1	-178.6	164.1	0	110.1
314	V	36.8	Very low	38.2	Very low	140 Å²	140	150.9 Å²	150.9	85%	0.848	80%	0.804	S	S	*	*			trans	-138.3	137.7	148.6	-176.7	0	0	0	0	108.2
315	S	32.4	Very low	38.1	Very low	110 Å²	110	148.8 Å²	148.8	77%	0.769	80%	0.8	S	S	*	*			trans	-125	131.9	177.3	61.3	0	0	0	0	110.4
316	I	37	Very low	38	Very low	172 Å²	172	149.7 Å²	149.7	88%	0.882	81%	0.805	S	S	*	*			trans	-144.2	155.8	161.4	-101.2	148.2	0	0	0	108.3
317	S	35.6	Very low	37.9	Very low	103 Å²	103	145.6 Å²	145.6	72%	0.72	80%	0.801	S	S	*	*			trans	-145.1	145.1	-168.3	57	0	0	0	0	111
318	K	37.2	Very low	38	Very low	205 Å²	205	147.8 Å²	147.8	89%	0.891	81%	0.807	S	S	*	*			trans	155.1	156.2	167.3	-91.9	160	-175.8	-176.8	0	109
319	S	38.5	Very low	37.8	Very low	83 Å²	83	146 Å²	146	58%	0.58	81%	0.805	S	S	*	*			cis	-173	164.6	-3	42.4	0	0	0	0	112.6
320	N	38	Very low	38.1	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	80%	0.801	S	S	*	*			trans	73	150.6	164.6	-44.3	-30.8	0	0	0	115
321	G	37.6	Very low	38.3	Very low	69 Å²	69	139 Å²	139	71%	0.711	80%	0.8	S	S	*	*			cis	-148.4	-149.5	-3.5	0	0	0	0	0	109.8
322	S	41.4	Very low	38.4	Very low	103 Å²	103	139.9 Å²	139.9	72%	0.72	80%	0.801	S	S	*	*			cis	-178.6	128.6	-18.7	39.8	0	0	0	0	110.7
323	D	38.4	Very low	38.7	Very low	161 Å²	161	137.6 Å²	137.6	86%	0.861	80%	0.8	S	S	*	*			trans	63.5	150	154.4	-54.6	-44.1	0	0	0	121.5
324	S	40.7	Very low	38.8	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	80%	0.799	S	S	*	*			cis	-138.2	-102.8	13.8	52.8	0	0	0	0	116.2
325	S	43	Very low	39	Very low	93 Å²	93	140.7 Å²	140.7	65%	0.65	80%	0.803	S	S	*	*			trans	-145.1	-165.5	-160.4	49.2	0	0	0	0	111.6
326	D	39.9	Very low	39.4	Very low	155 Å²	155	144.7 Å²	144.7	83%	0.829	81%	0.806	S	S	*	*			cis	-140.9	169.6	25.9	-65.4	-42.2	0	0	0	111.6
327	G	38.8	Very low	39.5	Very low	76 Å²	76	147.7 Å²	147.7	78%	0.784	81%	0.806	S	S	*	*			cis	145.7	91.3	-10.9	0	0	0	0	0	115.1
328	E	42	Very low	39.8	Very low	194 Å²	194	148 Å²	148	91%	0.907	81%	0.809	S	S	*	*			trans	-145.8	151.5	167.1	-155.2	168.6	-143.5	0	0	112.9
329	T	38.8	Very low	39.9	Very low	136 Å²	136	148 Å²	148	83%	0.834	81%	0.809	S	S	*	*			trans	-149.3	165.7	-168.6	75.3	0	0	0	0	111.5
330	A	39.5	Very low	39.8	Very low	85 Å²	85	151.8 Å²	151.8	70%	0.702	82%	0.822	S	S	*	*			cis	-130.6	-115.4	13.1	0	0	0	0	0	113.4
331	V	43.7	Very low	40	Very low	137 Å²	137	150.2 Å²	150.2	83%	0.83	82%	0.817	S	S	*	*			cis	-130.7	162.8	4.7	176.3	0	0	0	0	109.1
332	K	36.5	Very low	39.9	Very low	185 Å²	185	155.5 Å²	155.5	80%	0.804	82%	0.821	S	S	*	*			trans	-117.7	134.8	-174.6	-61.1	163.6	-176.8	159.5	0	112.3
333	H	43.4	Very low	39.8	Very low	200 Å²	200	159.2 Å²	159.2	93%	0.926	83%	0.826	S	S	*	*			trans	-146.7	160.1	146.6	-99.7	-73.9	0	0	0	111.8
334	K	36.4	Very low	39.8	Very low	201 Å²	201	160.6 Å²	160.6	87%	0.874	83%	0.825	S	S	*	*			trans	-155	105.6	-149.5	-170.7	-179.2	-171.7	176.9	0	114.7
335	K	41.2	Very low	39.4	Very low	210 Å²	210	162.2 Å²	162.2	91%	0.913	83%	0.825	S	S	*	*			trans	-165.3	131.1	164.2	-99	167.4	-177.7	175.7	0	107.5
336	K	39.2	Very low	39.2	Very low	194 Å²	194	163.3 Å²	163.3	84%	0.843	83%	0.827	S	S	*	*			cis	109.9	121.9	7.4	-161.3	-177.1	-173.5	-176.6	0	113.5
337	R	40.5	Very low	38.9	Very low	235 Å²	235	163.2 Å²	163.2	89%	0.887	82%	0.822	S	S	*	*			trans	81.8	146.2	-176.9	-47.3	171.7	79.4	161.3	4	113
338	S	41.5	Very low	38.5	Very low	111 Å²	111	167.2 Å²	167.2	78%	0.776	82%	0.82	S	S	*	*			cis	-141.9	171.6	7.8	-53	0	0	0	0	112.7
339	K	39.5	Very low	38.1	Very low	204 Å²	204	162.8 Å²	162.8	89%	0.887	81%	0.811	S	S	*	*			trans	-92	149.6	177.6	-47.3	167.2	-179.5	176	0	112.3
340	L	36	Very low	38	Very low	163 Å²	163	162.2 Å²	162.2	85%	0.853	81%	0.812	S	S	*	*			trans	-162.1	135	131.5	-152.1	60.3	0	0	0	113.9
341	V	41.6	Very low	37.8	Very low	128 Å²	128	161.4 Å²	161.4	78%	0.776	81%	0.812	S	S	*	*			trans	36	146.9	154	179.9	0	0	0	0	122.8
342	K	36.1	Very low	37.6	Very low	181 Å²	181	163.9 Å²	163.9	79%	0.787	81%	0.814	S	S	*	*			trans	-68.7	159.3	179.7	-50.1	165.8	-180	173.5	0	113.6
343	H	39.5	Very low	37.7	Very low	180 Å²	180	160 Å²	160	83%	0.833	81%	0.81	S	S	*	*				-161.3	-162.6	110.2	-107.9	-81.6	0	0	0	111.1
344	K	37.5	Very low	37.5	Very low	191 Å²	191	153.3 Å²	153.3	83%	0.83	80%	0.795	S	S	*	*			trans	-102.7	139.7	-153.9	-82.7	-174.9	175.3	-177.4	0	116.2
345	N	33.7	Very low	37.7	Very low	148 Å²	148	149.8 Å²	149.8	79%	0.791	79%	0.786	S	S	*	*			trans	49.4	144	137.1	-96.4	39.5	0	0	0	125
346	V	37.1	Very low	37.6	Very low	116 Å²	116	148.5 Å²	148.5	70%	0.703	78%	0.775	S	S	*	*			trans	84.1	149.7	150.6	171.7	0	0	0	0	117.6
347	Q	34.2	Very low	37.7	Very low	152 Å²	152	146 Å²	146	71%	0.71	77%	0.766	S	S	*	*			trans	-22.1	161.8	177.9	-77.1	143.1	-102.7	0	0	119.2
348	E	30.2	Very low	37.6	Very low	161 Å²	161	143.4 Å²	143.4	75%	0.752	76%	0.756	S	S	*	*			cis	-149.7	-160.6	30.7	-149.7	123.1	-109.9	0	0	114.8
349	S	34.3	Very low	37.6	Very low	101 Å²	101	144.7 Å²	144.7	71%	0.706	75%	0.75	S	S	*	*			trans	-100.5	177.3	-171.9	61.3	0	0	0	0	114.2
350	S	36.7	Very low	37.7	Very low	124 Å²	124	141.2 Å²	141.2	87%	0.867	74%	0.737	S	S	*	*			trans	133.2	164.2	138.3	73	0	0	0	0	116.7
351	G	34.7	Very low	38	Very low	67 Å²	67	139.2 Å²	139.2	69%	0.691	73%	0.727	S	S	*	*			trans	135.9	131.9	174.1	0	0	0	0	0	111.4
352	H	40.4	Very low	38.1	Very low	190 Å²	190	138.9 Å²	138.9	88%	0.88	72%	0.721	S	S	*	*			cis	-160.9	169.6	-9.3	-140.7	44.3	0	0	0	106.4
353	S	39.1	Very low	38.3	Very low	102 Å²	102	136 Å²	136	71%	0.713	71%	0.714	S	S	*	*			cis	-164.5	144.1	24.6	50.5	0	0	0	0	113.6
354	G	38.2	Very low	38.3	Very low	61 Å²	61	133.1 Å²	133.1	63%	0.629	71%	0.705	S	S	*	*			trans	84.5	-177.8	164.7	0	0	0	0	0	116.5
355	D	40.9	Very low	38.4	Very low	126 Å²	126	129.2 Å²	129.2	67%	0.674	69%	0.693	S	S	*	*			cis	179.7	152.3	-22	-103.4	-30.3	0	0	0	109.6
356	R	39.1	Very low	38.6	Very low	184 Å²	184	128.5 Å²	128.5	69%	0.694	69%	0.689	S	S	*	*			cis	-165.1	118.2	-12.2	-166	179.4	-64.9	164.6	5.5	112.9
357	H	41.4	Very low	38.7	Very low	141 Å²	141	130.1 Å²	130.1	65%	0.653	69%	0.689	S	S	*	*			trans	69.3	148.5	153.2	-72.8	-11.7	0	0	0	119.9
358	R	38.7	Very low	39	Very low	180 Å²	180	129.8 Å²	129.8	68%	0.679	69%	0.692	S	S	*	*			cis	-166.8	145.5	3.6	-116.6	172.9	-163.5	-164.2	4.4	114.1
359	H	41.1	Very low	39.1	Very low	139 Å²	139	129.4 Å²	129.4	64%	0.644	70%	0.695	S	S	*	*			trans	53.6	152.5	142.1	-65.5	-40.5	0	0	0	122
360	H	42.5	Very low	39.3	Very low	131 Å²	131	132.8 Å²	132.8	61%	0.606	70%	0.704	S	S	*	*			cis	-164.3	151.8	-5.1	-114.9	-54.2	0	0	0	110
361	D	41.7	Very low	39.2	Very low	121 Å²	121	135.1 Å²	135.1	65%	0.647	70%	0.701	S	S	*	*			trans	60.5	149.1	139.4	-55.9	-7.5	0	0	0	121.2
362	D	42.6	Very low	39.2	Very low	121 Å²	121	139.6 Å²	139.6	65%	0.647	71%	0.709	S	S	*	*			cis	-165.8	159.7	-7.9	-129.2	3.3	0	0	0	112.8
363	N	40.8	Very low	38.9	Very low	120 Å²	120	140 Å²	140	64%	0.642	71%	0.708	S	S	*	*			trans	38.3	144.9	138.4	-70.8	-42.3	0	0	0	121.6
364	N	40	Very low	38.7	Very low	120 Å²	120	141.6 Å²	141.6	64%	0.642	71%	0.714	S	S	*	*			cis	-178.2	163.6	30.1	-132.6	-23.8	0	0	0	114.6
365	N	38.4	Very low	38.4	Very low	109 Å²	109	146.1 Å²	146.1	58%	0.583	72%	0.723	S	S	*	*			trans	65.7	120	143.7	-67.8	-33.2	0	0	0	125
366	N	37.9	Very low	38.1	Very low	133 Å²	133	145 Å²	145	71%	0.711	73%	0.725	S	S	*	*				62.5	148.8	115.5	-52	-15.3	0	0	0	121
367	H	39.8	Very low	37.8	Very low	150 Å²	150	144 Å²	144	69%	0.694	73%	0.733	S	S	*	*			cis	-160.3	-173.2	4	-145.9	-112.3	0	0	0	112.5
368	D	39.7	Very low	37.4	Very low	144 Å²	144	143 Å²	143	77%	0.77	74%	0.743	S	S	*	*			trans	92	127.4	152.4	-64.9	-31.6	0	0	0	121.5
369	N	33.5	Very low	37.1	Very low	153 Å²	153	139.9 Å²	139.9	82%	0.818	74%	0.744	S	S	*	*			trans	-96.2	160.3	177.2	-65.2	-66	0	0	0	111.6
370	L	38.4	Very low	36.9	Very low	172 Å²	172	140 Å²	140	90%	0.901	75%	0.749	S	S	*	*			trans	-161.2	131.5	136.3	-113.1	158.6	0	0	0	112.5
371	H	34.3	Very low	36.5	Very low	173 Å²	173	140.9 Å²	140.9	80%	0.801	75%	0.753	S	S	*	*			trans	-70.1	150.3	170.5	-70.3	-82	0	0	0	111.7
372	N	34.7	Very low	36.2	Very low	161 Å²	161	141.3 Å²	141.3	86%	0.861	76%	0.755	S	S	*	*				-160.8	161.6	117.3	-109.1	-51.2	0	0	0	113.9
373	K	33.4	Very low	35.9	Very low	199 Å²	199	145 Å²	145	87%	0.865	76%	0.761	S	S	*	*			trans	-125.8	113.2	-168.3	176	-177.6	-179.1	176.5	0	110
374	V	35.6	Very low	35.5	Very low	136 Å²	136	144.8 Å²	144.8	82%	0.824	76%	0.76	S	S	*	*			trans	-135.4	144.8	174.5	-176.1	0	0	0	0	109.6
375	N	32.5	Very low	35.3	Very low	156 Å²	156	144.6 Å²	144.6	83%	0.834	76%	0.759	S	S	*	*			trans	-128.2	127.3	-177.2	-177.3	30.4	0	0	0	108.9
376	S	34	Very low	35.2	Very low	102 Å²	102	146.6 Å²	146.6	71%	0.713	77%	0.765	S	S	*	*			trans	-163.2	121.6	179.9	55.3	0	0	0	0	113.7
377	N	31.8	Very low	34.9	Very low	162 Å²	162	146.8 Å²	146.8	87%	0.866	76%	0.762	S	S	*	*			trans	-70.7	151	160.8	-63.1	-22.2	0	0	0	110.2
378	S	34.1	Very low	34.6	Very low	122 Å²	122	144.7 Å²	144.7	85%	0.853	76%	0.755	S	S	*	*			trans	-161.1	147.8	150	-144.1	0	0	0	0	112.5
379	T	32.3	Very low	34.3	Very low	114 Å²	114	146.2 Å²	146.2	70%	0.699	76%	0.755	S	S	*	*			trans	-93.2	170.6	-178.4	52.4	0	0	0	0	113.1
380	N	36.5	Very low	34.3	Very low	141 Å²	141	145.2 Å²	145.2	75%	0.754	75%	0.75	S	S	*	*			trans	153.6	157.5	132.1	-76.9	-11.9	0	0	0	112.5
381	H	34.7	Very low	34.2	Very low	149 Å²	149	143.5 Å²	143.5	69%	0.69	74%	0.742	S	S	*	*			cis	-173.1	178.2	-34.8	-148.8	-77.7	0	0	0	108.2
382	L	36	Very low	33.9	Very low	131 Å²	131	140.8 Å²	140.8	69%	0.686	74%	0.741	S	S	*	*			trans	89.3	137.6	172.9	-72.8	57.9	0	0	0	115.1
383	Y	35.7	Very low	33.7	Very low	197 Å²	197	137.9 Å²	137.9	77%	0.773	73%	0.733	S	S	*	*			cis	-138.7	164.3	-3.6	-124.8	-68.1	0	0	0	111.3
384	N	31.4	Very low	33.5	Very low	116 Å²	116	137.4 Å²	137.4	62%	0.62	73%	0.731	S	S	*	*			trans	-79.5	-174.8	-176.1	-50.9	-3.9	0	0	0	112.3
385	D	37.1	Very low	33.4	Very low	116 Å²	116	136.7 Å²	136.7	62%	0.62	73%	0.727	S	S	*	*			cis	-150.7	148.5	31.4	-81.3	-58.9	0	0	0	115.6
386	Q	34.9	Very low	33.4	Very low	152 Å²	152	135.7 Å²	135.7	71%	0.71	73%	0.726	S	S	*	*			trans	22.9	145.7	130.7	-61	-174.9	-71	0	0	120.5
387	E	32.9	Very low	33.6	Very low	137 Å²	137	135.4 Å²	135.4	64%	0.64	72%	0.721	S	S	*	*			cis	-169.7	175.5	0.6	-127.8	176.8	-137.4	0	0	113.6
388	N	33.2	Very low	33.7	Very low	105 Å²	105	134.2 Å²	134.2	56%	0.561	72%	0.715	S	S	*	*			trans	71.1	101.4	151.5	-69.2	-43.4	0	0	0	122.7
389	K	33.4	Very low	33.8	Very low	176 Å²	176	134 Å²	134	77%	0.765	70%	0.701	S	S	*	*				50.3	110.4	105.9	-72.5	178.5	-174.1	159.3	0	119.9
390	N	33.9	Very low	33.9	Very low	133 Å²	133	132.7 Å²	132.7	71%	0.711	69%	0.692	S	S	*	*				167.7	156.6	98.3	-98.7	7.6	0	0	0	114.9
391	D	36.2	Very low	33.7	Very low	136 Å²	136	132.6 Å²	132.6	73%	0.727	69%	0.692	S	S	*	*			trans	49.9	98.6	146.7	-55.8	-37.4	0	0	0	122.8
392	C	27.6	Very low	33.5	Very low	115 Å²	115	130.5 Å²	130.5	78%	0.777	69%	0.69	S	S	*	*				62.4	113.4	111.8	-153.4	0	0	0	0	122
393	S	30.3	Very low	33.4	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	70%	0.697	S	S	*	*			trans	93.8	137.1	139.6	82.3	0	0	0	0	122
394	K	30.5	Very low	33.2	Very low	190 Å²	190	127.7 Å²	127.7	83%	0.826	69%	0.693	S	S	*	*			trans	77.5	123.9	146.8	-79.4	-178.6	176.4	-177.4	0	121.8
395	V	32.4	Very low	33.3	Very low	121 Å²	121	126.9 Å²	126.9	73%	0.733	70%	0.696	S	S	*	*			trans	84.3	99.6	131.4	174.2	0	0	0	0	118.5
396	V	33.2	Very low	33.1	Very low	135 Å²	135	127.1 Å²	127.1	82%	0.818	70%	0.702	S	S	*	*				67.5	146.4	119.6	166.2	0	0	0	0	117.8
397	P	38.5	Very low	33.1	Very low	95 Å²	95	129.3 Å²	129.3	62%	0.617	71%	0.709	S	S	*	*				-122.9	-146.5	-126.1	38.4	-21.9	0	0	0	115
398	D	34	Very low	33	Very low	138 Å²	138	127.3 Å²	127.3	74%	0.738	71%	0.71	S	S	*	*			trans	73.5	150.4	166.5	-45.9	-35.6	0	0	0	115.9
399	E	34.4	Very low	32.8	Very low	117 Å²	117	132.2 Å²	132.2	55%	0.547	73%	0.727	S	S	.	*			cis	-154.4	-179.5	-5.7	-138.5	-176.7	-160.9	0	0	111.8	P184	P184-E399 WeakPolarHBondContact CD-OE1 3.46Å; P184-E399 VanDerWaalsContact CG-OE2 3.25Å; P184-E399 WeakPolarHBondContact CG-OE2 3.38Å
400	V	34.8	Very low	32.6	Very low	87 Å²	87	130.6 Å²	130.6	53%	0.527	73%	0.727	S	S	.	*			trans	6.8	135	167	-71.7	0	0	0	0	120.9
401	N	32	Very low	32.5	Very low	138 Å²	138	131.1 Å²	131.1	74%	0.738	74%	0.735	S	S	*	*				-167.7	154.5	78.3	-105.2	-72.6	0	0	0	118.4
402	T	32	Very low	32.2	Very low	106 Å²	106	129.4 Å²	129.4	65%	0.65	74%	0.74	S	S	*	*			trans	-23	142.5	167	62	0	0	0	0	121.3
403	M	33	Very low	32.2	Very low	171 Å²	171	127.6 Å²	127.6	84%	0.842	74%	0.741	S	S	*	*				169.2	150.5	99.4	-89.6	-148.2	172.5	0	0	116.8
404	S	32.4	Very low	32.2	Very low	97 Å²	97	127.9 Å²	127.9	68%	0.678	74%	0.742	S	S	*	*			trans	71.7	94.5	147.4	-63	0	0	0	0	123.5
405	S	31.9	Very low	32.1	Very low	99 Å²	99	126.9 Å²	126.9	69%	0.692	75%	0.746	S	S	*	*				51.3	127.5	122.7	70.5	0	0	0	0	121.1
406	T	33.1	Very low	31.9	Very low	122 Å²	122	129.7 Å²	129.7	75%	0.748	75%	0.752	S	S	*	*				174.4	164.5	80.5	36.6	0	0	0	0	112.8
407	K	36.2	Very low	31.7	Very low	198 Å²	198	128.1 Å²	128.1	86%	0.861	75%	0.746	S	S	*	*			trans	70.5	98.9	156.1	-76.4	171.8	-179.7	175.8	0	119.8
408	S	29.2	Very low	31.1	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	76%	0.756	S	S	*	*			trans	-54.5	155.5	153.2	54.1	0	0	0	0	115
409	F	30.9	Very low	30.7	Very low	208 Å²	208	132.4 Å²	132.4	91%	0.912	76%	0.758	S	S	*	*			trans	-128.2	120.1	141.1	-107.9	-85.4	0	0	0	109.3
410	N	28.1	Very low	30.3	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	77%	0.766	S	S	*	*			trans	-98.8	135.3	172.7	-72.4	-5.1	0	0	0	109.2
411	T	32.8	Very low	29.9	Very low	144 Å²	144	137.6 Å²	137.6	88%	0.883	78%	0.778	S	S	*	*			trans	-141	133.9	152.9	-62.1	0	0	0	0	106.7
412	A	29	Very low	29.7	Very low	101 Å²	101	135 Å²	135	84%	0.835	77%	0.766	S	S	*	*			trans	-107.1	163.8	-164.6	0	0	0	0	0	112.8
413	G	26.9	Very low	29.6	Very low	77 Å²	77	133.9 Å²	133.9	79%	0.794	76%	0.756	S	S	*	*			trans	114.9	91.8	149.8	0	0	0	0	0	116.9
414	S	31.1	Very low	29.4	Very low	105 Å²	105	129.1 Å²	129.1	73%	0.734	74%	0.74	S	S	*	*				-162.3	145.3	129.5	43.1	0	0	0	0	109.6
415	N	27.5	Very low	29.2	Very low	170 Å²	170	127.9 Å²	127.9	91%	0.909	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-79.1	127.5	177.6	-60.1	-26.6	0	0	0	108.9
416	Q	29.9	Very low	29.3	Very low	180 Å²	180	125.9 Å²	125.9	84%	0.841	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-102.9	118.3	163.9	-67.4	-174.2	4.7	0	0	108.4
417	S	27.7	Very low	29.3	Very low	101 Å²	101	123.1 Å²	123.1	71%	0.706	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-68	156.9	172	44	0	0	0	0	111.1	E419	S417-E419 VanDerWaalsContact C-N 3.28Å; S417-E419 PolarHBondContact O-N 2.52Å
418	N	25.3	Very low	29	Very low	152 Å²	152	119.5 Å²	119.5	81%	0.813	70%	0.696	S	S	*	*			trans	-65.8	80.6	176.5	-66.3	-30	0	0	0	112	V420	N418-V420 VanDerWaalsContact C-N 3.27Å; N418-V420 PolarHBondContact O-N 2.86Å
419	E	25.9	Very low	29	Very low	171 Å²	171	120.5 Å²	120.5	80%	0.799	70%	0.701	S	S	*	*			trans	-69.3	89.1	163.5	-71.6	-160.7	145.8	0	0	109.2	S417 Y421	S417-E419 VanDerWaalsContact C-N 3.28Å; S417-E419 PolarHBondContact O-N 2.52Å; E419-Y421 PolarHBondContact O-N 3.1Å
420	V	27	Very low	29.1	Very low	116 Å²	116	116.1 Å²	116.1	70%	0.703	69%	0.693	S	S	*	*			trans	-54.3	121.2	163.9	175.5	0	0	0	0	107.4	N418 V422	N418-V420 VanDerWaalsContact C-N 3.27Å; N418-V420 PolarHBondContact O-N 2.86Å; V420-V422 HydrophobicContact CG1-CG2 4.37Å; V420-V422 PolarHBondContact O-N 3.22Å
421	Y	25.6	Very low	29.2	Very low	197 Å²	197	119.5 Å²	119.5	77%	0.773	70%	0.697	S	S	*	*			trans	-68.2	75.2	174.5	-110.1	-97.4	0	0	0	110.3	E419 L423	E419-Y421 PolarHBondContact O-N 3.1Å; Y421-L423 PolarHBondContact O-N 3.49Å
422	V	27.7	Very low	29	Very low	83 Å²	83	119.8 Å²	119.8	50%	0.503	69%	0.692	S	S	.	*			trans	-58.5	137.6	168.3	-177.9	0	0	0	0	107.6	V420 S424	V420-V422 HydrophobicContact CG1-CG2 4.37Å; V420-V422 PolarHBondContact O-N 3.22Å; V422-S424 WeakPolarHBondContact CB-OG 3.2Å; V422-S424 WeakPolarHBondContact CG1-OG 3.48Å; V422-S424 PolarHBondContact O-N 2.85Å
423	L	31.3	Very low	29.1	Very low	84 Å²	84	118.8 Å²	118.8	44%	0.44	68%	0.683	S	S	.	*			trans	-75.8	44.1	-179	-130.6	70.9	0	0	0	112.3	Y421 G425 L426	Y421-L423 PolarHBondContact O-N 3.49Å; L423-G425 PolarHBondContact O-N 2.8Å; L423-L426 HydrophobicContact CD2-CD1 4.22Å; L423-L426 PolarHBondContact O-N 3.23Å; L423-L426 VanDerWaalsContact O-N 3.1Å
424	S	27.9	Very low	29	Very low	71 Å²	71	119 Å²	119	50%	0.497	69%	0.686	S	S	.	*	G	3₁₀ helix	trans	-61.3	-8.3	-173.5	-54.4	0	0	0	0	114.5	V422 L426 T427	V422-S424 WeakPolarHBondContact CB-OG 3.2Å; V422-S424 WeakPolarHBondContact CG1-OG 3.48Å; V422-S424 PolarHBondContact O-N 2.85Å; S424-L426 PolarHBondContact O-N 2.94Å; S424-T427 PolarHBondContact O-OG1 3.18Å
425	G	28.7	Very low	28.9	Very low	70 Å²	70	117.5 Å²	117.5	72%	0.722	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-72	-2.4	169.3	0	0	0	0	0	114.9	L423	L423-G425 PolarHBondContact O-N 2.8Å
426	L	34.5	Very low	28.9	Very low	57 Å²	57	116.2 Å²	116.2	30%	0.298	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-121.1	11.4	179	-68	174.5	0	0	0	114.3	L103 L423 S424	L103-L426 HydrophobicContact CD1-CD1 3.84Å; L103-L426 HydrophobicContact CD1-CD2 3.8Å; L103-L426 HydrophobicContact CD2-CD1 4.06Å; L103-L426 HydrophobicContact CG-CD1 3.96Å; L103-L426 HydrophobicContact CG-CD2 4.06Å; L423-L426 HydrophobicContact CD2-CD1 4.22Å; L423-L426 PolarHBondContact O-N 3.23Å; L423-L426 VanDerWaalsContact O-N 3.1Å; S424-L426 PolarHBondContact O-N 2.94Å
427	T	31.4	Very low	29	Very low	65 Å²	65	115.4 Å²	115.4	40%	0.399	68%	0.684	S	S	.	*	S	Bend	trans	-115	123.8	165.5	46.8	0	0	0	0	108.1	S424	S424-T427 PolarHBondContact O-OG1 3.18Å
428	D	29.9	Very low	29.3	Very low	121 Å²	121	115.7 Å²	115.7	65%	0.647	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-58.4	132.2	-174.4	-49	-69	0	0	0	111
429	P	30.8	Very low	29.7	Very low	115 Å²	115	115.5 Å²	115.5	75%	0.747	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-62.8	136.3	173.2	27.3	-33.6	0	0	0	108.9	Y431	P429-Y431 PolarHBondContact O-N 3.14Å; P429-Y431 VanDerWaalsContact O-N 3.11Å
430	P	32.7	Very low	30.3	Very low	116 Å²	116	115.3 Å²	115.3	75%	0.753	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.3	118.1	-175.5	25.2	-33.5	0	0	0	110.4	I432	P430-I432 PolarHBondContact O-N 3.25Å
431	Y	29.9	Very low	30.8	Very low	213 Å²	213	114.9 Å²	114.9	84%	0.835	69%	0.688	S	S	*	*			trans	-64.3	101.3	174.5	-178.3	-91.8	0	0	0	109.7	P429 A433	P429-Y431 PolarHBondContact O-N 3.14Å; P429-Y431 VanDerWaalsContact O-N 3.11Å; Y431-A433 HydrophobicContact CD1-CB 4.5Å; Y431-A433 HydrophobicContact CE1-CB 4.4Å; Y431-A433 PolarHBondContact O-N 3.25Å
432	I	29.3	Very low	31.4	Very low	151 Å²	151	114.4 Å²	114.4	77%	0.774	69%	0.692	S	S	*	*			trans	-71	97.2	175.4	-60.3	179.9	0	0	0	108.1	P430 G434	P430-I432 PolarHBondContact O-N 3.25Å; I432-G434 PolarHBondContact O-N 2.99Å
433	A	29.8	Very low	31.6	Very low	79 Å²	79	118.2 Å²	118.2	65%	0.653	70%	0.704	S	S	*	*			trans	-65.3	122	165.6	0	0	0	0	0	108.8	Y431 G435	Y431-A433 HydrophobicContact CD1-CB 4.5Å; Y431-A433 HydrophobicContact CE1-CB 4.4Å; Y431-A433 PolarHBondContact O-N 3.25Å; A433-G435 PolarHBondContact O-N 3.01Å
434	G	25.3	Very low	31.7	Very low	83 Å²	83	121.3 Å²	121.3	86%	0.856	72%	0.721	S	S	*	*			trans	-61.2	129.1	-168.1	0	0	0	0	0	114.5	I432	I432-G434 PolarHBondContact O-N 2.99Å
435	G	28.4	Very low	31.6	Very low	73 Å²	73	123.2 Å²	123.2	75%	0.753	73%	0.734	S	S	*	*			trans	-133	119.7	169.6	0	0	0	0	0	109.7	A433	A433-G435 PolarHBondContact O-N 3.01Å
436	V	28.5	Very low	31.9	Very low	142 Å²	142	127 Å²	127	86%	0.861	74%	0.736	S	S	*	*			trans	-72.3	134.2	-175.4	176.8	0	0	0	0	111.4
437	I	31.7	Very low	31.6	Very low	164 Å²	164	129.7 Å²	129.7	84%	0.841	76%	0.755	S	S	*	*			trans	-163.4	151	139.9	-98.1	146.9	0	0	0	108.6
438	S	34.8	Very low	31.9	Very low	107 Å²	107	133 Å²	133	75%	0.748	77%	0.771	S	S	*	*			trans	-75	153.6	-162.5	50.3	0	0	0	0	116.7
439	D	33.1	Very low	32	Very low	148 Å²	148	134.2 Å²	134.2	79%	0.791	78%	0.777	S	S	*	*			trans	-60.8	158.8	157.4	-60.9	-73.3	0	0	0	112.6
440	D	38.2	Very low	32.4	Very low	167 Å²	167	134.8 Å²	134.8	89%	0.893	78%	0.784	S	S	*	*				-158.2	146.6	125.1	-111.9	-31.2	0	0	0	110.2
441	T	38.3	Very low	32.6	Very low	107 Å²	107	136.5 Å²	136.5	66%	0.656	78%	0.782	S	S	*	*			trans	-102.1	168.7	-174.3	51.2	0	0	0	0	112.5
442	H	37	Very low	32.9	Very low	186 Å²	186	133.8 Å²	133.8	86%	0.861	77%	0.774	S	S	*	*				-170.6	144	122.5	-99.1	-61.4	0	0	0	113.2
443	H	32.3	Very low	33.3	Very low	164 Å²	164	132 Å²	132	76%	0.759	78%	0.775	S	S	*	*			trans	-76.9	165.5	170.3	-67	-96.8	0	0	0	111.9
444	N	32.8	Very low	33.8	Very low	149 Å²	149	135.5 Å²	135.5	80%	0.797	78%	0.78	S	S	*	*				-163.8	131	110.9	-99.5	-29.8	0	0	0	114.2
445	S	27	Very low	34.4	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	77%	0.772	S	S	*	*			trans	-96.8	125.5	163.6	53.5	0	0	0	0	109.2
446	I	33.8	Very low	35.1	Very low	149 Å²	149	139.3 Å²	139.3	76%	0.764	77%	0.772	S	S	*	*			trans	-132.1	128.8	171.6	-69.1	-177.8	0	0	0	108.8
447	T	29.3	Very low	35.6	Very low	114 Å²	114	140.2 Å²	140.2	70%	0.699	77%	0.772	S	S	*	*			trans	-75.5	163.4	172.3	51.1	0	0	0	0	111
448	N	36.4	Very low	35.6	Very low	136 Å²	136	138.9 Å²	138.9	73%	0.727	77%	0.766	S	S	*	*				171.5	131.9	121.3	-81	-7.7	0	0	0	112.2
449	D	33.4	Very low	35.8	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	77%	0.767	S	S	*	*			trans	-21	141.6	159.7	-35.7	-47.2	0	0	0	118.2
450	S	38.9	Very low	35.6	Very low	127 Å²	127	138.1 Å²	138.1	89%	0.888	77%	0.765	S	S	*	*				179.6	149.8	119.6	-79.7	0	0	0	0	114.1
451	E	35.7	Very low	35.5	Very low	152 Å²	152	138 Å²	138	71%	0.71	76%	0.762	S	S	*	*			trans	-82.5	163.6	-163.6	-44.6	174.1	107	0	0	118
452	K	36.2	Very low	35.3	Very low	157 Å²	157	139.4 Å²	139.4	68%	0.683	76%	0.762	S	S	*	*			trans	85.2	130.2	137	-82.1	156.4	-166.9	156.3	0	123.6
453	S	39.4	Very low	35.1	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	76%	0.756	S	S	*	*			trans	80.1	149.5	142.3	81.4	0	0	0	0	118.3
454	M	39.8	Very low	35.2	Very low	153 Å²	153	136.8 Å²	136.8	75%	0.754	76%	0.761	S	S	*	*			cis	-134	148.8	6.5	-69.1	-177.6	80.4	0	0	113.6
455	D	38.4	Very low	35.1	Very low	130 Å²	130	133.7 Å²	133.7	70%	0.695	76%	0.756	S	S	*	*			trans	23.5	137.9	136.6	-42	-31.4	0	0	0	122.7
456	S	42.2	Very low	35.7	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	76%	0.755	S	S	*	*				-175.2	109.8	113.4	-99.7	0	0	0	0	114.3
457	D	39.1	Very low	35.8	Very low	161 Å²	161	133.6 Å²	133.6	86%	0.861	76%	0.755	S	S	*	*			trans	52.4	137.8	140.5	-53.3	-33.9	0	0	0	124.5
458	N	31.3	Very low	36.4	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	76%	0.759	S	S	*	*			trans	-144.6	136.3	177.4	171.5	36.6	0	0	0	110.1
459	P	38.4	Very low	36.5	Very low	117 Å²	117	134.3 Å²	134.3	76%	0.76	75%	0.753	S	S	*	*			trans	-114.3	118.2	170.1	35.3	-23.7	0	0	0	113.8
460	T	28.8	Very low	37.1	Very low	122 Å²	122	133.7 Å²	133.7	75%	0.748	75%	0.745	S	S	*	*			trans	-77.2	129.2	176.4	-46.4	0	0	0	0	112.4
461	I	36.9	Very low	37.3	Very low	164 Å²	164	132.3 Å²	132.3	84%	0.841	73%	0.728	S	S	*	*			trans	-130.1	140.7	162.8	-62.3	-175.5	0	0	0	111.4
462	E	33.7	Very low	37.7	Very low	137 Å²	137	130.1 Å²	130.1	64%	0.64	72%	0.717	S	S	*	*			trans	-78.7	149.7	-160.5	-49.8	-173.3	90.5	0	0	117.4
463	K	33.3	Very low	37.9	Very low	173 Å²	173	128.4 Å²	128.4	75%	0.752	72%	0.715	S	S	*	*			trans	45.2	111.5	132.9	-58.8	163.8	-170.9	154.7	0	119.8
464	S	35	Very low	38	Very low	122 Å²	122	127.8 Å²	127.8	85%	0.853	70%	0.698	S	S	*	*				-171.8	159.1	124.5	22	0	0	0	0	112.2
465	A	31.1	Very low	38	Very low	84 Å²	84	126 Å²	126	69%	0.694	69%	0.688	S	S	*	*			trans	24.4	130.4	147.1	0	0	0	0	0	119.3
466	D	38.6	Very low	38	Very low	140 Å²	140	125.4 Å²	125.4	75%	0.749	68%	0.684	S	S	*	*			cis	-158.4	168.1	21.1	-89.4	-37.3	0	0	0	111.3	I468	D466-I468 PolarHBondContact O-N 3.03Å
467	P	36.9	Very low	37.7	Very low	117 Å²	117	125.6 Å²	125.6	76%	0.76	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-73.6	121.2	175.6	30.2	-34.4	0	0	0	112.3
468	I	41.4	Very low	37.9	Very low	155 Å²	155	122.7 Å²	122.7	80%	0.795	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-80.9	128.7	173.1	-58.5	175.8	0	0	0	109.1	D466	D466-I468 PolarHBondContact O-N 3.03Å
469	N	37.7	Very low	38.1	Very low	110 Å²	110	120.4 Å²	120.4	59%	0.588	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-58.3	138.4	-176.4	-66.4	-29.2	0	0	0	112.7	D471 H472	N469-D471 PolarHBondContact O-N 2.78Å; N469-D471 VanDerWaalsContact O-N 3.1Å; N469-H472 PolarHBondContact O-N 3.1Å
470	E	45.6	Very low	38.1	Very low	132 Å²	132	121.7 Å²	121.7	62%	0.617	66%	0.655	S	S	*	*	H	α-helix	trans	-57.1	-25.4	173.8	-66.5	-170	167.4	0	0	113.4	H472 L473 K474	E470-H472 VanDerWaalsContact C-N 3.3Å; E470-H472 PolarHBondContact O-N 3.16Å; E470-L473 WeakPolarHBondContact O-CB 3.49Å; E470-L473 PolarHBondContact O-N 3.07Å; E470-K474 PolarHBondContact O-N 3.42Å; E470-K474 VanDerWaalsContact O-N 3.08Å; E470-K474 WeakPolarHBondContact OE2-CE 3.25Å; E470-K474 IonicContact OE2-NZ 3.48Å; E470-K474 PolarHBondContact OE2-NZ 2.76Å
471	D	44.9	Very low	38.8	Very low	98 Å²	98	121.6 Å²	121.6	52%	0.524	65%	0.646	S	S	.	*	H	α-helix	trans	-67.3	-30.5	-171.1	-55.5	-37.7	0	0	0	112.5	N469 K474 E475	N469-D471 PolarHBondContact O-N 2.78Å; N469-D471 VanDerWaalsContact O-N 3.1Å; D471-K474 WeakPolarHBondContact O-CB 3.29Å; D471-K474 PolarHBondContact O-N 3.12Å; D471-K474 IonicContact OD1-NZ 2.72Å; D471-K474 PolarHBondContact OD1-NZ 3.07Å; D471-E475 PolarHBondContact O-N 3.42Å
472	H	42.1	Very low	39.2	Very low	106 Å²	106	121 Å²	121	49%	0.491	64%	0.64	S	S	.	*	H	α-helix	trans	-73.1	-27.3	172.4	-73.5	-40.2	0	0	0	113.2	N469 E470 K474 E475 L476	N469-H472 PolarHBondContact O-N 3.1Å; E470-H472 VanDerWaalsContact C-N 3.3Å; E470-H472 PolarHBondContact O-N 3.16Å; H472-K474 VanDerWaalsContact C-N 3.33Å; H472-E475 IonicContact CE1-OE2 3.43Å; H472-E475 PolarHBondContact CE1-OE2 3.22Å; H472-E475 IonicContact CG-OE2 3.45Å; H472-E475 IonicContact ND1-OE2 3.24Å; H472-E475 PolarHBondContact ND1-OE2 3.26Å; H472-L476 WeakPolarHBondContact O-CB 3.49Å; H472-L476 VanDerWaalsContact O-CG 3.28Å; H472-L476 WeakPolarHBondContact O-CG 3.5Å; H472-L476 PolarHBondContact O-N 2.78Å
473	L	41.9	Very low	40.5	Very low	121 Å²	121	118.6 Å²	118.6	63%	0.634	64%	0.635	S	S	*	*	H	α-helix	trans	-70.5	-34.3	169.4	-77.2	168.1	0	0	0	110.9	E470 I477	E470-L473 WeakPolarHBondContact O-CB 3.49Å; E470-L473 PolarHBondContact O-N 3.07Å; L473-I477 WeakPolarHBondContact O-CD1 3.37Å; L473-I477 VanDerWaalsContact O-CG1 3.27Å; L473-I477 WeakPolarHBondContact O-CG1 3.43Å; L473-I477 PolarHBondContact O-N 3.22Å; L473-I477 VanDerWaalsContact O-N 3.13Å
474	K	41.5	Very low	42.3	Very low	98 Å²	98	113.4 Å²	113.4	43%	0.426	61%	0.61	S	S	.	*	H	α-helix	trans	-67.9	-42.8	173.5	-64.4	163.7	-164.2	156.7	0	111.1	E470 D471 H472 I477 V478	E470-K474 PolarHBondContact O-N 3.42Å; E470-K474 VanDerWaalsContact O-N 3.08Å; E470-K474 WeakPolarHBondContact OE2-CE 3.25Å; E470-K474 IonicContact OE2-NZ 3.48Å; E470-K474 PolarHBondContact OE2-NZ 2.76Å; D471-K474 WeakPolarHBondContact O-CB 3.29Å; D471-K474 PolarHBondContact O-N 3.12Å; D471-K474 IonicContact OD1-NZ 2.72Å; D471-K474 PolarHBondContact OD1-NZ 3.07Å; H472-K474 VanDerWaalsContact C-N 3.33Å; K474-I477 PolarHBondContact O-N 2.74Å; K474-V478 WeakPolarHBondContact O-CB 3.4Å; K474-V478 VanDerWaalsContact O-CG2 3.25Å; K474-V478 WeakPolarHBondContact O-CG2 3.47Å; K474-V478 PolarHBondContact O-N 2.68Å
475	E	38.4	Very low	44.2	Very low	116 Å²	116	111.9 Å²	111.9	54%	0.542	59%	0.586	S	S	.	*	H	α-helix	trans	-60.6	-42.9	172.4	-78.9	-176.3	129.3	0	0	113.2	D471 H472 I477 V478 T479	D471-E475 PolarHBondContact O-N 3.42Å; H472-E475 IonicContact CE1-OE2 3.43Å; H472-E475 PolarHBondContact CE1-OE2 3.22Å; H472-E475 IonicContact CG-OE2 3.45Å; H472-E475 IonicContact ND1-OE2 3.24Å; H472-E475 PolarHBondContact ND1-OE2 3.26Å; E475-I477 VanDerWaalsContact C-N 3.28Å; E475-I477 PolarHBondContact O-N 3.01Å; E475-V478 PolarHBondContact O-N 2.88Å; E475-T479 WeakPolarHBondContact O-CB 3.38Å; E475-T479 WeakPolarHBondContact O-CG2 3.4Å; E475-T479 PolarHBondContact O-N 2.84Å; E475-T479 PolarHBondContact O-OG1 3.02Å
476	L	38.3	Very low	46.4	Very low	118 Å²	118	107.9 Å²	107.9	62%	0.618	55%	0.553	S	S	*	*	H	α-helix	trans	-69.3	-23.8	179.3	-74.7	168.2	0	0	0	113.5	H472 T479	H472-L476 WeakPolarHBondContact O-CB 3.49Å; H472-L476 VanDerWaalsContact O-CG 3.28Å; H472-L476 WeakPolarHBondContact O-CG 3.5Å; H472-L476 PolarHBondContact O-N 2.78Å; L476-T479 PolarHBondContact O-OG1 2.73Å
477	I	37.5	Very low	48.4	Very low	111 Å²	111	104.5 Å²	104.5	57%	0.569	53%	0.534	S	S	*	.	H	α-helix	trans	-80.7	-48.3	171.3	-68.3	166	0	0	0	110.1	L473 K474 E475 T479 N480	L473-I477 WeakPolarHBondContact O-CD1 3.37Å; L473-I477 VanDerWaalsContact O-CG1 3.27Å; L473-I477 WeakPolarHBondContact O-CG1 3.43Å; L473-I477 PolarHBondContact O-N 3.22Å; L473-I477 VanDerWaalsContact O-N 3.13Å; K474-I477 PolarHBondContact O-N 2.74Å; E475-I477 VanDerWaalsContact C-N 3.28Å; E475-I477 PolarHBondContact O-N 3.01Å; I477-T479 VanDerWaalsContact C-N 3.29Å; I477-T479 PolarHBondContact O-N 2.85Å; I477-N480 PolarHBondContact O-N 3.03Å; I477-N480 VanDerWaalsContact O-N 3.17Å
478	V	41.8	Very low	50.5	Low	100 Å²	100	99.3 Å²	99.3	61%	0.606	50%	0.499	S	S	*	.	H	α-helix	trans	-62	-32.6	-178.6	167.8	0	0	0	0	112.8	K474 E475 N480	K474-V478 WeakPolarHBondContact O-CB 3.4Å; K474-V478 VanDerWaalsContact O-CG2 3.25Å; K474-V478 WeakPolarHBondContact O-CG2 3.47Å; K474-V478 PolarHBondContact O-N 2.68Å; E475-V478 PolarHBondContact O-N 2.88Å; V478-N480 VanDerWaalsContact C-N 3.3Å; V478-N480 PolarHBondContact O-N 2.97Å
479	T	36.2	Very low	52.5	Low	87 Å²	87	93.1 Å²	93.1	53%	0.534	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.5	178.9	43.8	0	0	0	0	114.4	E475 L476 I477	E475-T479 WeakPolarHBondContact O-CB 3.38Å; E475-T479 WeakPolarHBondContact O-CG2 3.4Å; E475-T479 PolarHBondContact O-N 2.84Å; E475-T479 PolarHBondContact O-OG1 3.02Å; L476-T479 PolarHBondContact O-OG1 2.73Å; I477-T479 VanDerWaalsContact C-N 3.29Å; I477-T479 PolarHBondContact O-N 2.85Å
480	N	37.8	Very low	54.8	Low	145 Å²	145	88.4 Å²	88.4	78%	0.775	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-11.2	177.5	-109.8	-14.6	0	0	0	114.1	I477 V478 Q482	I477-N480 PolarHBondContact O-N 3.03Å; I477-N480 VanDerWaalsContact O-N 3.17Å; V478-N480 VanDerWaalsContact C-N 3.3Å; V478-N480 PolarHBondContact O-N 2.97Å; N480-Q482 PolarHBondContact O-N 2.82Å
481	E	43.8	Very low	56.8	Low	120 Å²	120	83 Å²	83	56%	0.561	42%	0.419	S	S	*	.			trans	-72.6	-3.2	177.8	-73.1	-156.8	-178.1	0	0	114.3	K157 T483	K157-E481 IonicContact NZ-OE1 2.76Å; K157-E481 IonicContact NZ-OE2 3.87Å; K157-E481 PolarHBondContact NZ-OE2 2.81Å; E481-T483 PolarHBondContact O-N 2.75Å
482	Q	46.1	Very low	58.9	Low	151 Å²	151	78.6 Å²	78.6	71%	0.706	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	99	-170.8	-71.3	-170.1	-9.5	0	0	114	N480	N480-Q482 PolarHBondContact O-N 2.82Å
483	T	60.2	Low	61.2	Low	87 Å²	87	73.6 Å²	73.6	53%	0.534	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	25.8	153.2	75.7	0	0	0	0	120.5	E481 R485 Q564	E481-T483 PolarHBondContact O-N 2.75Å; T483-R485 PolarHBondContact O-N 2.98Å; T483-Q564 PolarHBondContact O-NE2 2.82Å; T483-Q564 PolarHBondContact O-OE1 3.24Å
484	R	71.9	Confident	63.5	Low	63 Å²	63	69.5 Å²	69.5	24%	0.238	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-60	128.8	161.9	-177.5	-178.9	-179.9	-127.6	-18.5	110.1	D151 L154 W573	D151-R484 IonicContact OD1-CZ 3.72Å; D151-R484 VanDerWaalsContact OD1-CZ 3.25Å; D151-R484 IonicContact OD1-NH1 2.82Å; D151-R484 PolarHBondContact OD1-NH1 3.13Å; D151-R484 VanDerWaalsContact OD1-NH1 3.08Å; D151-R484 IonicContact OD1-NH2 3.23Å; D151-R484 PolarHBondContact OD1-NH2 3.35Å; L154-R484 HydrophobicContact CD1-CG 4.21Å; R484-W573 HydrophobicContact CB-CD2 4.14Å; R484-W573 HydrophobicContact CB-CG 4.33Å; R484-W573 HydrophobicContact CB-CZ2 4.3Å; R484-W573 VanDerWaalsContact CD-CZ2 3.42Å; R484-W573 HydrophobicContact CG-CD2 4.08Å; R484-W573 HydrophobicContact CG-CE3 4.36Å; R484-W573 HydrophobicContact CG-CH2 3.97Å; R484-W573 HydrophobicContact CG-CZ2 3.65Å; R484-W573 HydrophobicContact CG-CZ3 4.31Å
485	R	74.8	Confident	65.9	Low	90 Å²	90	64.9 Å²	64.9	34%	0.34	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-94.3	144.5	173.9	-67.7	173.9	-179.2	-172.5	-2.6	112.2	L158 T483 S563	L158-R485 HydrophobicContact CD1-CG 4.41Å; T483-R485 PolarHBondContact O-N 2.98Å; R485-S563 WeakPolarHBondContact CD-OG 3.34Å; R485-S563 PolarHBondContact NH1-OG 3.48Å
486	P	76.8	Confident	68.2	Low	1 Å²	1	60.7 Å²	60.7	1%	0.006	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-58.6	147.7	170.5	-22.7	31.9	0	0	0	112.6	I142 L154 L155 L158 H488 Y489	I142-P486 HydrophobicContact CD1-CB 4.16Å; L154-P486 HydrophobicContact CB-CG 4Å; L155-P486 HydrophobicContact CB-CG 4.12Å; L158-P486 HydrophobicContact CD1-CG 4.13Å; P486-H488 VanDerWaalsContact C-N 3.26Å; P486-H488 PolarHBondContact O-N 2.81Å; P486-H488 VanDerWaalsContact O-N 3.08Å; P486-Y489 HydrophobicContact CB-CD2 4.32Å; P486-Y489 HydrophobicContact CG-CD2 4.37Å; P486-Y489 WeakPolarHBondContact O-CB 3.14Å; P486-Y489 PolarHBondContact O-N 3.29Å
487	I	81.7	Confident	70.5	Confident	69 Å²	69	56.1 Å²	56.1	35%	0.354	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.8	-167	-59.6	-176.5	0	0	0	114.2	A145 D151 Y489	A145-I487 HydrophobicContact CB-CG2 3.88Å; D151-I487 WeakPolarHBondContact OD2-CD1 3.46Å; I487-Y489 PolarHBondContact O-N 3.17Å
488	H	80.4	Confident	73	Confident	7 Å²	7	50.8 Å²	50.8	3%	0.032	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.5	177	70.9	-86.5	0	0	0	114.2	A141 I142 P486 T490 H926	A141-H488 HydrophobicContact CB-CB 4.05Å; I142-H488 WeakPolarHBondContact CD1-ND1 3.28Å; I142-H488 HydrophobicContact CG1-CB 4.11Å; I142-H488 WeakPolarHBondContact CG1-ND1 3.41Å; P486-H488 VanDerWaalsContact C-N 3.26Å; P486-H488 PolarHBondContact O-N 2.81Å; P486-H488 VanDerWaalsContact O-N 3.08Å; H488-T490 PolarHBondContact O-N 3.13Å; H488-H926 AromaticContact CD2-NE2 3.41Å; H488-H926 PolarHBondContact CD2-NE2 3.09Å
489	Y	82.9	Confident	75.3	Confident	26 Å²	26	47.1 Å²	47.1	10%	0.102	24%	0.238	C	C	.	.			trans	-73.5	104.3	172.4	-81.5	-91.8	0	0	0	110.8	L158 R162 P486 I487 S563 L612	L158-Y489 HydrophobicContact CD1-CE2 4.47Å; R162-Y489 PolarHBondContact NH2-OH 3.44Å; P486-Y489 HydrophobicContact CB-CD2 4.32Å; P486-Y489 HydrophobicContact CG-CD2 4.37Å; P486-Y489 WeakPolarHBondContact O-CB 3.14Å; P486-Y489 PolarHBondContact O-N 3.29Å; I487-Y489 PolarHBondContact O-N 3.17Å; Y489-S563 WeakPolarHBondContact O-CB 3.34Å; Y489-S563 PolarHBondContact O-N 2.98Å; Y489-L612 HydrophobicContact CD1-CD1 3.7Å; Y489-L612 HydrophobicContact CE1-CB 3.99Å; Y489-L612 HydrophobicContact CE1-CD1 3.78Å; Y489-L612 HydrophobicContact CG-CD1 4.17Å
490	T	86	Confident	77.8	Confident	11 Å²	11	43.9 Å²	43.9	7%	0.067	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.3	179.8	54.4	0	0	0	0	113	H488 L518 F561 H611 P925	H488-T490 PolarHBondContact O-N 3.13Å; T490-L518 HydrophobicContact CG2-CD1 3.76Å; T490-F561 CarbonylContact C-O 3.6Å; T490-F561 VanDerWaalsContact CA-O 3.29Å; T490-F561 WeakPolarHBondContact CA-O 3.49Å; T490-F561 VanDerWaalsContact CB-O 3.29Å; T490-F561 WeakPolarHBondContact CB-O 3.47Å; T490-H611 PolarHBondContact O-CE1 3.18Å; T490-H611 VanDerWaalsContact O-CE1 3.22Å; T490-H611 PolarHBondContact O-ND1 3.17Å; T490-H611 PolarHBondContact OG1-CE1 2.81Å; T490-P925 PolarHBondContact OG1-O 3.27Å
491	S	87	Confident	80.2	Confident	19 Å²	19	41.5 Å²	41.5	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.4	172	-84	0	0	0	0	109.7	F561 T562	S491-F561 PolarHBondContact N-O 3.07Å; S491-F561 PolarHBondContact O-N 3.43Å; S491-T562 WeakPolarHBondContact CB-O 3.44Å
492	L	89.1	Confident	82.4	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.4	-167.1	-53.9	-173.5	0	0	0	114.4	L578 P607 I608 H611 P925	L492-L578 WeakPolarHBondContact O-CD1 3.4Å; L492-P607 CarbonylContact O-C 2.99Å; L492-P607 WeakPolarHBondContact O-CA 3.44Å; L492-I608 HydrophobicContact CB-CB 4.29Å; L492-I608 PolarHBondContact O-N 2.93Å; L492-H611 HydrophobicContact CD1-CB 3.97Å; L492-H611 VanDerWaalsContact CD1-CG 3.45Å; L492-H611 WeakPolarHBondContact CD1-ND1 3.18Å; L492-P925 HydrophobicContact CD1-CB 3.54Å; L492-P925 HydrophobicContact CD1-CG 3.68Å; L492-P925 HydrophobicContact CD2-CB 3.6Å; L492-P925 HydrophobicContact CD2-CG 3.88Å; L492-P925 HydrophobicContact CG-CB 4.2Å; L492-P925 HydrophobicContact CG-CG 4.4Å
493	L	90.5	Very high	84.5	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	107.3	167.1	-171.1	68.2	0	0	0	109.5	F495 W558 A559 F561 K582	L493-F495 HydrophobicContact CD2-CE2 4.35Å; L493-F495 HydrophobicContact CD2-CZ 3.93Å; L493-F495 HydrophobicContact CG-CE2 4.37Å; L493-F495 HydrophobicContact CG-CZ 4.33Å; L493-W558 WeakPolarHBondContact O-CA 3.44Å; L493-A559 HydrophobicContact CB-CB 4.34Å; L493-A559 PolarHBondContact N-O 3.21Å; L493-A559 PolarHBondContact O-N 2.95Å; L493-F561 HydrophobicContact CB-CE2 3.85Å; L493-F561 HydrophobicContact CD2-CE2 4.46Å; L493-K582 HydrophobicContact CD1-CD 4.45Å
494	F	91.2	Very high	86	Confident	35 Å²	35	28.8 Å²	28.8	15%	0.154	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	137.9	-179.6	169.4	-116.4	0	0	0	111.9	P496 M556 G557 W558 S605 R606 I608	F494-P496 HydrophobicContact CD1-CG 4.02Å; F494-P496 HydrophobicContact CE1-CB 3.96Å; F494-P496 HydrophobicContact CE1-CG 3.75Å; F494-P496 HydrophobicContact CZ-CB 4.35Å; F494-P496 WeakPolarHBondContact O-CD 3.49Å; F494-M556 HydrophobicContact CE2-CB 4.39Å; F494-M556 HydrophobicContact CE2-CE 3.87Å; F494-M556 HydrophobicContact CE2-CG 4.32Å; F494-M556 HydrophobicContact CZ-CE 3.98Å; F494-M556 HydrophobicContact CZ-CG 4.35Å; F494-G557 VanDerWaalsContact CD2-O 3.29Å; F494-G557 WeakPolarHBondContact CD2-O 3.5Å; F494-W558 AromaticContact CD2-CD1 3.69Å; F494-W558 HydrophobicContact CD2-CD2 4.27Å; F494-W558 AromaticContact CD2-CE2 3.82Å; F494-W558 HydrophobicContact CD2-CG 4.19Å; F494-W558 HydrophobicContact CD2-CZ2 4.46Å; F494-W558 AromaticContact CD2-NE1 3.44Å; F494-W558 HydrophobicContact CE2-CZ2 4.28Å; F494-S605 CarbonylContact O-C 3.6Å; F494-S605 VanDerWaalsContact O-CA 3.23Å; F494-S605 WeakPolarHBondContact O-CA 3.44Å; F494-R606 PolarHBondContact N-O 3.25Å; F494-R606 PolarHBondContact O-N 3Å; F494-I608 HydrophobicContact CB-CD1 3.57Å; F494-I608 HydrophobicContact CB-CG1 3.81Å; F494-I608 HydrophobicContact CD1-CD1 4.49Å; F494-I608 HydrophobicContact CG-CD1 4.03Å
495	F	90.7	Very high	86.9	Confident	1 Å²	1	31.9 Å²	31.9	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	104.5	176.5	-65.9	-87.5	0	0	0	110.1	L493 H497 I498 L520 G557 A559 L602	L493-F495 HydrophobicContact CD2-CE2 4.35Å; L493-F495 HydrophobicContact CD2-CZ 3.93Å; L493-F495 HydrophobicContact CG-CE2 4.37Å; L493-F495 HydrophobicContact CG-CZ 4.33Å; F495-H497 PolarHBondContact O-N 2.91Å; F495-I498 HydrophobicContact CB-CD1 4.09Å; F495-I498 HydrophobicContact CB-CG1 3.81Å; F495-I498 HydrophobicContact CG-CD1 4.47Å; F495-I498 HydrophobicContact CG-CG1 4.36Å; F495-L520 HydrophobicContact CE2-CD1 4.4Å; F495-G557 PolarHBondContact N-O 3.31Å; F495-G557 PolarHBondContact O-N 3.29Å; F495-A559 HydrophobicContact CE2-CB 3.91Å; F495-L602 HydrophobicContact CE1-CD2 4.12Å; F495-L602 HydrophobicContact CZ-CD2 4.29Å
496	P	86.7	Confident	87.7	Confident	29 Å²	29	30.2 Å²	30.2	19%	0.188	15%	0.147	C	C	.	.	S	Bend	trans	-66.5	-19.3	-177.8	-20.8	32.4	0	0	0	114.7	F494 K554 L604	F494-P496 HydrophobicContact CD1-CG 4.02Å; F494-P496 HydrophobicContact CE1-CB 3.96Å; F494-P496 HydrophobicContact CE1-CG 3.75Å; F494-P496 HydrophobicContact CZ-CB 4.35Å; F494-P496 WeakPolarHBondContact O-CD 3.49Å; P496-K554 WeakPolarHBondContact O-CD 3.41Å; P496-L604 WeakPolarHBondContact CD-O 3.49Å
497	H	88.1	Confident	88.4	Confident	21 Å²	21	30.2 Å²	30.2	10%	0.097	15%	0.147	C	C	.	.			trans	-162.9	118.7	175.3	-176.6	-88.2	0	0	0	110.8	H23 F495 K554 R555	H23-H497 HydrophobicContact CB-CB 3.93Å; H23-H497 WeakPolarHBondContact O-CB 3.44Å; F495-H497 PolarHBondContact O-N 2.91Å; H497-K554 HydrophobicContact CB-CD 4.45Å; H497-R555 CarbonylContact C-O 3.54Å; H497-R555 WeakPolarHBondContact CA-O 3.41Å
498	I	90.2	Very high	88.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.			trans	-98.9	120	169.4	-61.3	171.5	0	0	0	108.4	F495 I502 L507 I522 R555	F495-I498 HydrophobicContact CB-CD1 4.09Å; F495-I498 HydrophobicContact CB-CG1 3.81Å; F495-I498 HydrophobicContact CG-CD1 4.47Å; F495-I498 HydrophobicContact CG-CG1 4.36Å; I498-I502 HydrophobicContact CG2-CB 4.5Å; I498-L507 HydrophobicContact CD1-CD1 4.08Å; I498-L507 HydrophobicContact CG1-CD1 4.44Å; I498-L507 HydrophobicContact CG2-CD1 3.8Å; I498-I522 HydrophobicContact CD1-CD1 4Å; I498-I522 HydrophobicContact CD1-CG1 3.92Å; I498-I522 HydrophobicContact CD1-CG2 4.02Å; I498-R555 HydrophobicContact CB-CB 4.39Å; I498-R555 HydrophobicContact CB-CG 4.47Å; I498-R555 PolarHBondContact N-O 2.92Å; I498-R555 WeakPolarHBondContact O-CB 3.45Å
499	P	88.9	Confident	89.4	Confident	23 Å²	23	32.1 Å²	32.1	15%	0.149	16%	0.164	C	C	.	.			trans	-51.5	138.9	173.7	-30	35.9	0	0	0	113.9	N501 I502 D597	P499-N501 PolarHBondContact O-N 2.91Å; P499-N501 VanDerWaalsContact O-N 3.15Å; P499-I502 HydrophobicContact CB-CD1 3.89Å; P499-I502 HydrophobicContact CB-CG1 4.16Å; P499-I502 HydrophobicContact CG-CD1 3.9Å; P499-I502 PolarHBondContact O-N 2.88Å; P499-D597 HydrophobicContact CB-CB 4.22Å; P499-D597 HydrophobicContact CG-CB 4.09Å
500	F	88.9	Confident	89.9	Confident	18 Å²	18	31.6 Å²	31.6	8%	0.079	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.5	-173.4	-57.2	-24.7	0	0	0	114.2	Y25 Y82 A83 P525 L553 R555	Y25-F500 HydrophobicContact CG-CE2 4.23Å; Y82-F500 HydrophobicContact CD1-CB 3.78Å; Y82-F500 HydrophobicContact CD2-CB 4.49Å; Y82-F500 HydrophobicContact CE1-CB 4.19Å; Y82-F500 HydrophobicContact CG-CB 3.97Å; A83-F500 PolarHBondContact N-O 3.45Å; A83-F500 VanDerWaalsContact N-O 3.12Å; F500-P525 HydrophobicContact CD1-CG 4.41Å; F500-P525 HydrophobicContact CE1-CB 4.06Å; F500-P525 HydrophobicContact CE1-CG 4.19Å; F500-P525 HydrophobicContact CZ-CB 4.35Å; F500-L553 HydrophobicContact CE2-CD2 3.95Å; F500-L553 HydrophobicContact CZ-CB 4.12Å; F500-L553 HydrophobicContact CZ-CD2 3.79Å; F500-L553 HydrophobicContact CZ-CG 3.9Å; F500-R555 HydrophobicContact CD1-CB 4.1Å; F500-R555 HydrophobicContact CE1-CB 3.98Å
501	N	88.7	Confident	90.2	Very high	96 Å²	96	31.1 Å²	31.1	51%	0.513	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-15.6	179.1	-63.2	-12.8	0	0	0	113.9	Y82 A83 P499	Y82-N501 VanDerWaalsContact CD1-OD1 3.27Å; Y82-N501 WeakPolarHBondContact CD1-OD1 3.37Å; Y82-N501 WeakPolarHBondContact CE1-OD1 3.5Å; A83-N501 WeakPolarHBondContact CB-O 3.47Å; P499-N501 PolarHBondContact O-N 2.91Å; P499-N501 VanDerWaalsContact O-N 3.15Å
502	I	89.9	Confident	90.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.175	C	C	.	.			trans	-89.3	132.3	-173.1	-59.6	173.8	0	0	0	110.3	A83 I498 P499 D506 L507 R555 D597 L598	A83-I502 VanDerWaalsContact CB-C 3.48Å; A83-I502 WeakPolarHBondContact CB-O 3.45Å; I498-I502 HydrophobicContact CG2-CB 4.5Å; P499-I502 HydrophobicContact CB-CD1 3.89Å; P499-I502 HydrophobicContact CB-CG1 4.16Å; P499-I502 HydrophobicContact CG-CD1 3.9Å; P499-I502 PolarHBondContact O-N 2.88Å; I502-D506 HydrophobicContact CG2-CB 4.42Å; I502-L507 HydrophobicContact CG2-CD1 4.01Å; I502-L507 HydrophobicContact CG2-CD2 4.42Å; I502-L507 HydrophobicContact CG2-CG 3.79Å; I502-R555 PolarHBondContact O-NH1 2.92Å; I502-D597 HydrophobicContact CD1-CB 4.06Å; I502-D597 HydrophobicContact CG1-CB 4.43Å; I502-L598 HydrophobicContact CD1-CB 4.01Å; I502-L598 HydrophobicContact CG2-CD1 4.31Å
503	F	90.6	Very high	90.5	Very high	30 Å²	30	36.2 Å²	36.2	13%	0.132	19%	0.194	C	C	.	.			trans	-80.8	145.3	172.4	-62	-96.4	0	0	0	110.8	A83 E87 Y93 R505 D506 L507	A83-F503 HydrophobicContact CB-CB 4.37Å; A83-F503 HydrophobicContact CB-CD1 3.64Å; A83-F503 HydrophobicContact CB-CD2 3.74Å; A83-F503 HydrophobicContact CB-CE1 3.74Å; A83-F503 HydrophobicContact CB-CE2 3.83Å; A83-F503 HydrophobicContact CB-CG 3.64Å; A83-F503 HydrophobicContact CB-CZ 3.83Å; E87-F503 HydrophobicContact CG-CD1 3.89Å; E87-F503 VanDerWaalsContact OE1-CA 3.24Å; E87-F503 WeakPolarHBondContact OE1-CA 3.43Å; E87-F503 WeakPolarHBondContact OE1-CB 3.04Å; Y93-F503 HydrophobicContact CD1-CD1 4.14Å; Y93-F503 AromaticContact CD1-CE1 3.92Å; Y93-F503 HydrophobicContact CD1-CE1 3.92Å; Y93-F503 AromaticContact CE1-CD1 3.85Å; Y93-F503 HydrophobicContact CE1-CD1 3.85Å; Y93-F503 AromaticContact CE1-CE1 3.41Å; Y93-F503 HydrophobicContact CE1-CE1 3.41Å; Y93-F503 VanDerWaalsContact CE1-CE1 3.41Å; Y93-F503 HydrophobicContact CE1-CZ 4.17Å; Y93-F503 AromaticContact CZ-CE1 3.9Å; F503-R505 HydrophobicContact CB-CG 3.95Å; F503-R505 PolarHBondContact O-N 3.34Å; F503-D506 WeakPolarHBondContact CB-OD2 3.45Å; F503-D506 WeakPolarHBondContact CD2-OD2 3.13Å; F503-D506 PolarHBondContact N-OD2 2.99Å; F503-D506 VanDerWaalsContact N-OD2 3.13Å; F503-D506 WeakPolarHBondContact O-CB 3.43Å; F503-D506 PolarHBondContact O-N 2.91Å; F503-L507 PolarHBondContact O-N 3.18Å
504	K	90.9	Very high	90.4	Very high	56 Å²	56	36.9 Å²	36.9	24%	0.243	20%	0.198	C	C	.	.	H	α-helix	trans	-50.3	-41	170.7	-177.9	-168.1	174	-161.3	0	111.2	E87 D506 L507 I508 L520 I522	E87-K504 WeakPolarHBondContact OE1-CB 3.37Å; E87-K504 PolarHBondContact OE1-N 2.99Å; K504-D506 VanDerWaalsContact C-N 3.33Å; K504-D506 PolarHBondContact O-N 3.39Å; K504-L507 PolarHBondContact O-N 2.86Å; K504-I508 HydrophobicContact CD-CD1 4.37Å; K504-I508 HydrophobicContact CG-CD1 3.92Å; K504-I508 WeakPolarHBondContact O-CG1 3.19Å; K504-I508 PolarHBondContact O-N 3.16Å; K504-L520 HydrophobicContact CG-CD2 4.33Å; K504-I522 HydrophobicContact CB-CD1 3.92Å; K504-I522 HydrophobicContact CG-CD1 3.9Å
505	R	90.4	Very high	90.2	Very high	129 Å²	129	40.9 Å²	40.9	49%	0.487	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-36.4	178.4	78.2	-172.7	175.7	-166.9	-7.7	112.9	F503 I508 S509	F503-R505 HydrophobicContact CB-CG 3.95Å; F503-R505 PolarHBondContact O-N 3.34Å; R505-I508 PolarHBondContact O-N 3.47Å; R505-S509 WeakPolarHBondContact O-CB 3.5Å; R505-S509 PolarHBondContact O-N 2.97Å
506	D	91.8	Very high	90.1	Very high	54 Å²	54	43.1 Å²	43.1	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-69.8	-39.3	-177.7	-44.5	-23	0	0	0	109.7	I502 F503 K504 V510 L598	I502-D506 HydrophobicContact CG2-CB 4.42Å; F503-D506 WeakPolarHBondContact CB-OD2 3.45Å; F503-D506 WeakPolarHBondContact CD2-OD2 3.13Å; F503-D506 PolarHBondContact N-OD2 2.99Å; F503-D506 VanDerWaalsContact N-OD2 3.13Å; F503-D506 WeakPolarHBondContact O-CB 3.43Å; F503-D506 PolarHBondContact O-N 2.91Å; K504-D506 VanDerWaalsContact C-N 3.33Å; K504-D506 PolarHBondContact O-N 3.39Å; D506-V510 PolarHBondContact O-N 2.91Å; D506-L598 HydrophobicContact CB-CD1 4.19Å
507	L	91.5	Very high	90.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-67.2	-42.7	171.8	-72.4	167.8	0	0	0	112.2	I498 I502 F503 K504 S509 V510 L511 L520 I522 L598	I498-L507 HydrophobicContact CD1-CD1 4.08Å; I498-L507 HydrophobicContact CG1-CD1 4.44Å; I498-L507 HydrophobicContact CG2-CD1 3.8Å; I502-L507 HydrophobicContact CG2-CD1 4.01Å; I502-L507 HydrophobicContact CG2-CD2 4.42Å; I502-L507 HydrophobicContact CG2-CG 3.79Å; F503-L507 PolarHBondContact O-N 3.18Å; K504-L507 PolarHBondContact O-N 2.86Å; L507-S509 VanDerWaalsContact C-N 3.35Å; L507-V510 PolarHBondContact O-N 3.47Å; L507-L511 WeakPolarHBondContact O-CB 3.37Å; L507-L511 WeakPolarHBondContact O-CD1 3.31Å; L507-L511 VanDerWaalsContact O-CG 3.22Å; L507-L511 WeakPolarHBondContact O-CG 3.32Å; L507-L511 PolarHBondContact O-N 2.85Å; L507-L520 HydrophobicContact CB-CD2 3.67Å; L507-L520 HydrophobicContact CD1-CD2 4.37Å; L507-I522 HydrophobicContact CD1-CD1 4.24Å; L507-L598 HydrophobicContact CD2-CD1 4.01Å; L507-L598 HydrophobicContact CD2-CG 3.95Å; L507-L598 HydrophobicContact CG-CD1 4.41Å
508	I	92.2	Very high	90.3	Very high	32 Å²	32	45 Å²	45	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-45.4	175.1	-73.5	171.7	0	0	0	110.4	K504 R505 V510 L511 S512 F517 L520	K504-I508 HydrophobicContact CD-CD1 4.37Å; K504-I508 HydrophobicContact CG-CD1 3.92Å; K504-I508 WeakPolarHBondContact O-CG1 3.19Å; K504-I508 PolarHBondContact O-N 3.16Å; R505-I508 PolarHBondContact O-N 3.47Å; I508-V510 PolarHBondContact O-N 3Å; I508-V510 VanDerWaalsContact O-N 3.17Å; I508-L511 PolarHBondContact O-N 2.82Å; I508-L511 VanDerWaalsContact O-N 3.08Å; I508-S512 WeakPolarHBondContact O-CB 3.41Å; I508-S512 PolarHBondContact O-N 3.43Å; I508-S512 PolarHBondContact O-OG 3.25Å; I508-F517 HydrophobicContact CG1-CZ 4.34Å; I508-F517 HydrophobicContact CG2-CE1 4.29Å; I508-L520 HydrophobicContact CD1-CB 4.46Å; I508-L520 HydrophobicContact CG1-CB 4.02Å; I508-L520 HydrophobicContact CG1-CD2 3.89Å
509	S	91.8	Very high	90.3	Very high	84 Å²	84	47 Å²	47	59%	0.587	25%	0.254	S	S	*	.	H	α-helix	trans	-56.3	-34.4	179	-173.7	0	0	0	0	113.3	R505 L507	R505-S509 WeakPolarHBondContact O-CB 3.5Å; R505-S509 PolarHBondContact O-N 2.97Å; L507-S509 VanDerWaalsContact C-N 3.35Å
510	V	92	Very high	90.5	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-83.4	-36	176.7	178.2	0	0	0	0	111.6	D506 L507 I508 T513 L585 A589 L598 L602	D506-V510 PolarHBondContact O-N 2.91Å; L507-V510 PolarHBondContact O-N 3.47Å; I508-V510 PolarHBondContact O-N 3Å; I508-V510 VanDerWaalsContact O-N 3.17Å; V510-T513 WeakPolarHBondContact O-CB 3.42Å; V510-T513 PolarHBondContact O-OG1 3.39Å; V510-L585 HydrophobicContact CG1-CD2 4.26Å; V510-L585 WeakPolarHBondContact O-CD2 3.39Å; V510-A589 HydrophobicContact CG1-CB 4.25Å; V510-L598 HydrophobicContact CG2-CD2 4.14Å; V510-L602 HydrophobicContact CG1-CD1 4.03Å
511	L	92.6	Very high	90.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-38.8	178.8	-70.9	164.3	0	0	0	112.6	L507 I508 T513 C514 F517 L520 A559 F561 L585	L507-L511 WeakPolarHBondContact O-CB 3.37Å; L507-L511 WeakPolarHBondContact O-CD1 3.31Å; L507-L511 VanDerWaalsContact O-CG 3.22Å; L507-L511 WeakPolarHBondContact O-CG 3.32Å; L507-L511 PolarHBondContact O-N 2.85Å; I508-L511 PolarHBondContact O-N 2.82Å; I508-L511 VanDerWaalsContact O-N 3.08Å; L511-T513 PolarHBondContact O-N 2.9Å; L511-C514 WeakPolarHBondContact O-CB 3.25Å; L511-C514 PolarHBondContact O-N 3.18Å; L511-F517 HydrophobicContact CB-CD1 4.23Å; L511-F517 HydrophobicContact CB-CD2 3.83Å; L511-F517 HydrophobicContact CB-CE1 4.25Å; L511-F517 HydrophobicContact CB-CE2 3.85Å; L511-F517 HydrophobicContact CB-CG 4.02Å; L511-F517 HydrophobicContact CB-CZ 4.06Å; L511-F517 HydrophobicContact CD1-CE2 3.91Å; L511-F517 HydrophobicContact CD1-CZ 4.24Å; L511-F517 HydrophobicContact CG-CE2 4.4Å; L511-L520 HydrophobicContact CD1-CB 4.43Å; L511-L520 HydrophobicContact CD1-CD1 4.02Å; L511-L520 HydrophobicContact CD1-CD2 4.01Å; L511-L520 HydrophobicContact CD1-CG 4.38Å; L511-A559 HydrophobicContact CD1-CB 3.85Å; L511-A559 HydrophobicContact CD2-CB 3.96Å; L511-F561 HydrophobicContact CD2-CZ 3.9Å; L511-L585 HydrophobicContact CD2-CD1 4Å
512	S	92	Very high	90.7	Very high	64 Å²	64	41.9 Å²	41.9	45%	0.448	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.8	178.3	-69.3	0	0	0	0	114.2	I508 C514 F517	I508-S512 WeakPolarHBondContact O-CB 3.41Å; I508-S512 PolarHBondContact O-N 3.43Å; I508-S512 PolarHBondContact O-OG 3.25Å; S512-C514 PolarHBondContact O-N 3.19Å; S512-F517 WeakPolarHBondContact OG-CD1 3.36Å
513	T	90.9	Very high	90.5	Very high	67 Å²	67	42.9 Å²	42.9	41%	0.411	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.3	165.7	-57.2	0	0	0	0	111.7	V510 L511 H588	V510-T513 WeakPolarHBondContact O-CB 3.42Å; V510-T513 PolarHBondContact O-OG1 3.39Å; L511-T513 PolarHBondContact O-N 2.9Å; T513-H588 VanDerWaalsContact CG2-CD2 3.47Å; T513-H588 WeakPolarHBondContact CG2-CD2 3.26Å; T513-H588 WeakPolarHBondContact CG2-NE2 3.15Å; T513-H588 PolarHBondContact OG1-CE1 2.96Å; T513-H588 PolarHBondContact OG1-NE2 3.08Å; T513-H588 VanDerWaalsContact OG1-NE2 3.15Å
514	C	89	Confident	90.2	Very high	14 Å²	14	44.8 Å²	44.8	10%	0.095	24%	0.242	C	C	.	.	S	Bend	trans	-91.5	119.7	174.2	-69.3	0	0	0	0	110.6	L511 S512 H516 F517 F561	L511-C514 WeakPolarHBondContact O-CB 3.25Å; L511-C514 PolarHBondContact O-N 3.18Å; S512-C514 PolarHBondContact O-N 3.19Å; C514-H516 PolarHBondContact O-N 3.49Å; C514-F517 WeakPolarHBondContact O-CB 3.23Å; C514-F517 PolarHBondContact O-N 3.08Å; C514-F561 HydrophobicContact CB-CE1 4.2Å
515	P	86.4	Confident	89.9	Confident	119 Å²	119	43.1 Å²	43.1	77%	0.773	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.8	-174.1	27.8	-36.6	0	0	0	114.4
516	H	87.9	Confident	89.4	Confident	48 Å²	48	39.4 Å²	39.4	22%	0.222	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	1.7	177.7	-48.5	-50.9	0	0	0	113.8	C514 F561 T562 Y565 I576	C514-H516 PolarHBondContact O-N 3.49Å; H516-F561 CarbonylContact O-C 3.41Å; H516-F561 WeakPolarHBondContact O-CA 3.32Å; H516-F561 WeakPolarHBondContact O-CB 3.42Å; H516-T562 PolarHBondContact O-N 3.36Å; H516-Y565 AromaticContact CE1-CG 3.7Å; H516-I576 HydrophobicContact CB-CD1 3.72Å
517	F	91.5	Very high	88.7	Confident	23 Å²	23	39.2 Å²	39.2	10%	0.101	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.3	178.7	172.3	-110.6	0	0	0	111.2	I508 L511 S512 C514 R519 L520 A559 F561	I508-F517 HydrophobicContact CG1-CZ 4.34Å; I508-F517 HydrophobicContact CG2-CE1 4.29Å; L511-F517 HydrophobicContact CB-CD1 4.23Å; L511-F517 HydrophobicContact CB-CD2 3.83Å; L511-F517 HydrophobicContact CB-CE1 4.25Å; L511-F517 HydrophobicContact CB-CE2 3.85Å; L511-F517 HydrophobicContact CB-CG 4.02Å; L511-F517 HydrophobicContact CB-CZ 4.06Å; L511-F517 HydrophobicContact CD1-CE2 3.91Å; L511-F517 HydrophobicContact CD1-CZ 4.24Å; L511-F517 HydrophobicContact CG-CE2 4.4Å; S512-F517 WeakPolarHBondContact OG-CD1 3.36Å; C514-F517 WeakPolarHBondContact O-CB 3.23Å; C514-F517 PolarHBondContact O-N 3.08Å; F517-R519 VanDerWaalsContact CE2-C 3.47Å; F517-R519 WeakPolarHBondContact CE2-O 3.46Å; F517-L520 HydrophobicContact CE2-CB 4.2Å; F517-L520 HydrophobicContact CZ-CB 3.87Å; F517-A559 HydrophobicContact CD2-CB 4.46Å; F517-A559 HydrophobicContact CE2-CB 4.07Å; F517-F561 HydrophobicContact CB-CD1 4.03Å; F517-F561 HydrophobicContact CB-CE1 3.87Å; F517-F561 HydrophobicContact CD2-CE1 4.19Å; F517-F561 HydrophobicContact CD2-CZ 4.29Å
518	L	88.6	Confident	87.6	Confident	67 Å²	67	41.1 Å²	41.1	35%	0.351	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-52.6	-177.4	-64.2	174.1	0	0	0	113	T490 S560 T562	T490-L518 HydrophobicContact CG2-CD1 3.76Å; L518-S560 WeakPolarHBondContact CB-O 3.35Å; L518-S560 PolarHBondContact N-O 3.24Å; L518-T562 HydrophobicContact CD1-CG2 4Å; L518-T562 HydrophobicContact CD2-CG2 3.83Å; L518-T562 HydrophobicContact CG-CG2 4.07Å
519	R	90.4	Very high	86.5	Confident	42 Å²	42	42 Å²	42	16%	0.158	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	152.2	-175.1	54.8	-175.6	177.3	-118.9	-7.2	113.2	F517 S560 D922 L923 M924 P925	F517-R519 VanDerWaalsContact CE2-C 3.47Å; F517-R519 WeakPolarHBondContact CE2-O 3.46Å; R519-S560 PolarHBondContact N-O 2.95Å; R519-S560 PolarHBondContact O-N 2.82Å; R519-D922 WeakPolarHBondContact CD-O 3.46Å; R519-D922 PolarHBondContact NE-O 2.79Å; R519-L923 WeakPolarHBondContact CD-O 3.39Å; R519-M924 PolarHBondContact NE-O 3.49Å; R519-M924 PolarHBondContact NH2-O 3.01Å; R519-P925 PolarHBondContact NH2-O 2.83Å
520	L	92.4	Very high	85.2	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	111.8	174.9	177.6	64.5	0	0	0	110.9	F495 K504 L507 I508 L511 F517 I522 A559	F495-L520 HydrophobicContact CE2-CD1 4.4Å; K504-L520 HydrophobicContact CG-CD2 4.33Å; L507-L520 HydrophobicContact CB-CD2 3.67Å; L507-L520 HydrophobicContact CD1-CD2 4.37Å; I508-L520 HydrophobicContact CD1-CB 4.46Å; I508-L520 HydrophobicContact CG1-CB 4.02Å; I508-L520 HydrophobicContact CG1-CD2 3.89Å; L511-L520 HydrophobicContact CD1-CB 4.43Å; L511-L520 HydrophobicContact CD1-CD1 4.02Å; L511-L520 HydrophobicContact CD1-CD2 4.01Å; L511-L520 HydrophobicContact CD1-CG 4.38Å; F517-L520 HydrophobicContact CE2-CB 4.2Å; F517-L520 HydrophobicContact CZ-CB 3.87Å; L520-I522 HydrophobicContact CD1-CG1 4.33Å; L520-I522 HydrophobicContact CD2-CD1 3.92Å; L520-I522 HydrophobicContact CD2-CG1 4.2Å; L520-I522 HydrophobicContact CG-CD1 4.24Å; L520-I522 HydrophobicContact CG-CG1 3.95Å; L520-A559 HydrophobicContact CD1-CB 4.1Å
521	A	91.1	Very high	83.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137	165.6	0	0	0	0	0	110.7	G557 W558 L923 M924	A521-G557 CarbonylContact O-C 3.41Å; A521-G557 WeakPolarHBondContact O-CA 3.47Å; A521-W558 HydrophobicContact CB-CB 4.49Å; A521-W558 HydrophobicContact CB-CE3 4.11Å; A521-W558 PolarHBondContact N-O 3.35Å; A521-W558 PolarHBondContact O-N 2.71Å; A521-L923 WeakPolarHBondContact CB-O 3.5Å; A521-M924 HydrophobicContact CB-CE 3.94Å; A521-M924 HydrophobicContact CB-SD 3.7Å
522	I	90.2	Very high	81.5	Confident	26 Å²	26	45.7 Å²	45.7	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.9	168.9	-53.5	-179.3	0	0	0	108	I498 K504 L507 L520 R555 M556	I498-I522 HydrophobicContact CD1-CD1 4Å; I498-I522 HydrophobicContact CD1-CG1 3.92Å; I498-I522 HydrophobicContact CD1-CG2 4.02Å; K504-I522 HydrophobicContact CB-CD1 3.92Å; K504-I522 HydrophobicContact CG-CD1 3.9Å; L507-I522 HydrophobicContact CD1-CD1 4.24Å; L520-I522 HydrophobicContact CD1-CG1 4.33Å; L520-I522 HydrophobicContact CD2-CD1 3.92Å; L520-I522 HydrophobicContact CD2-CG1 4.2Å; L520-I522 HydrophobicContact CG-CD1 4.24Å; L520-I522 HydrophobicContact CG-CG1 3.95Å; I522-R555 HydrophobicContact CG2-CG 3.72Å; I522-R555 VanDerWaalsContact CG2-NE 3.32Å; I522-M556 WeakPolarHBondContact CA-O 3.47Å
523	L	86.5	Confident	79.3	Confident	25 Å²	25	45 Å²	45	13%	0.131	25%	0.252	C	S	.	.			trans	-91.2	154.4	172.6	-66.3	177.9	0	0	0	111.8	R555 M556 W558 M924 P1196	L523-R555 WeakPolarHBondContact O-CG 3.44Å; L523-M556 HydrophobicContact CD1-CB 4.46Å; L523-M556 PolarHBondContact N-O 3.22Å; L523-W558 HydrophobicContact CD1-CH2 3.78Å; L523-W558 HydrophobicContact CD1-CZ3 3.84Å; L523-W558 HydrophobicContact CD2-CZ3 4.49Å; L523-W558 HydrophobicContact CG-CH2 4.33Å; L523-W558 HydrophobicContact CG-CZ3 3.86Å; L523-M924 HydrophobicContact CD2-CE 4Å; L523-P1196 HydrophobicContact CD2-CB 4.11Å
524	D	83.9	Confident	76.9	Confident	69 Å²	69	45.7 Å²	45.7	37%	0.369	26%	0.259	S	S	.	.			trans	-55.9	155.8	162.2	-81.2	-3.7	0	0	0	110.7	K88 V526	K88-D524 IonicContact NZ-OD2 2.68Å; K88-D524 PolarHBondContact NZ-OD2 3.34Å; D524-V526 WeakPolarHBondContact O-CG2 3.34Å; D524-V526 PolarHBondContact O-N 3.3Å
525	P	85.3	Confident	74.6	Confident	22 Å²	22	51.6 Å²	51.6	14%	0.143	29%	0.289	C	S	.	.			trans	-62.9	111	-177.2	-23.2	34.6	0	0	0	113.7	W84 F500 L553 K554	W84-P525 HydrophobicContact CD2-CG 3.67Å; W84-P525 HydrophobicContact CE3-CG 3.97Å; W84-P525 HydrophobicContact CG-CG 4.14Å; W84-P525 HydrophobicContact CH2-CG 4.24Å; W84-P525 HydrophobicContact CZ2-CG 3.98Å; W84-P525 HydrophobicContact CZ3-CG 4.24Å; F500-P525 HydrophobicContact CD1-CG 4.41Å; F500-P525 HydrophobicContact CE1-CB 4.06Å; F500-P525 HydrophobicContact CE1-CG 4.19Å; F500-P525 HydrophobicContact CZ-CB 4.35Å; P525-L553 HydrophobicContact CB-CD1 3.95Å; P525-L553 HydrophobicContact CB-CD2 3.89Å; P525-L553 HydrophobicContact CB-CG 3.69Å; P525-L553 WeakPolarHBondContact O-CD1 3.39Å; P525-K554 CarbonylContact C-O 3.48Å
526	V	79	Confident	72.4	Confident	50 Å²	50	49.3 Å²	49.3	30%	0.303	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	141.7	-177.7	-175	0	0	0	0	111.5	D524 M528 L553 K554	D524-V526 WeakPolarHBondContact O-CG2 3.34Å; D524-V526 PolarHBondContact O-N 3.3Å; V526-M528 HydrophobicContact CG1-CG 4.36Å; V526-L553 WeakPolarHBondContact O-CA 3.34Å; V526-K554 PolarHBondContact N-O 2.87Å; V526-K554 PolarHBondContact O-N 3.32Å
527	I	77.1	Confident	70.2	Confident	50 Å²	50	52.7 Å²	52.7	26%	0.256	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115	177	-51.7	155.4	0	0	0	109	I551 L553 P1064 Y1153	I527-I551 HydrophobicContact CG2-CG2 3.31Å; I527-L553 HydrophobicContact CG1-CD1 4.02Å; I527-P1064 HydrophobicContact CD1-CB 3.91Å; I527-P1064 HydrophobicContact CD1-CG 3.64Å; I527-P1064 HydrophobicContact CG1-CG 3.91Å; I527-Y1153 HydrophobicContact CB-CE1 4.33Å; I527-Y1153 PolarHBondContact O-OH 3.06Å; I527-Y1153 VanDerWaalsContact O-OH 3.07Å
528	M	69.2	Low	68.1	Low	42 Å²	42	59.2 Å²	59.2	21%	0.207	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	146.3	179	-73.9	-158.9	-79.9	0	0	113.1	V526 L552 K554 M556	V526-M528 HydrophobicContact CG1-CG 4.36Å; M528-L552 PolarHBondContact N-O 3.29Å; M528-L552 PolarHBondContact O-N 2.78Å; M528-K554 HydrophobicContact CE-CB 3.83Å; M528-K554 HydrophobicContact CE-CD 3.67Å; M528-K554 HydrophobicContact CE-CG 3.84Å; M528-M556 HydrophobicContact CE-CG 4.47Å; M528-M556 HydrophobicContact CE-SD 3.47Å; M528-M556 WeakPolarHBondContact CE-SD 3.4Å; M528-M556 HydrophobicContact SD-SD 4.31Å
529	P	67.9	Low	66.2	Low	50 Å²	50	60 Å²	60	33%	0.325	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	135.2	171.9	30.4	-33.1	0	0	0	111	T531 P1147	P529-T531 HydrophobicContact CG-CG2 4.31Å; P529-T531 PolarHBondContact O-N 3.08Å; P529-P1147 HydrophobicContact CG-CB 4.31Å; P529-P1147 HydrophobicContact CG-CG 4.33Å
530	D	66.1	Low	64	Low	14 Å²	14	63.4 Å²	63.4	8%	0.075	35%	0.35	C	S	.	.			trans	-68.3	104.8	165	-172.3	-11.9	0	0	0	109.3	N22 M532 S533 K550 L552	N22-D530 PolarHBondContact ND2-OD1 3.44Å; N22-D530 PolarHBondContact ND2-OD2 3.42Å; D530-M532 PolarHBondContact OD1-N 3.34Å; D530-S533 VanDerWaalsContact CG-OG 3.27Å; D530-S533 PolarHBondContact OD1-N 3.16Å; D530-S533 WeakPolarHBondContact OD2-CB 3.29Å; D530-S533 PolarHBondContact OD2-OG 3.35Å; D530-K550 HydrophobicContact CB-CB 3.78Å; D530-K550 VanDerWaalsContact CB-O 3.29Å; D530-K550 WeakPolarHBondContact CB-O 3.29Å; D530-K550 PolarHBondContact N-O 2.63Å; D530-L552 HydrophobicContact CB-CD1 4.06Å; D530-L552 HydrophobicContact CB-CD2 4.27Å; D530-L552 HydrophobicContact CB-CG 3.96Å
531	T	56.9	Low	61.5	Low	52 Å²	52	72.9 Å²	72.9	32%	0.319	39%	0.391	S	S	.	.			trans	-93.4	-5.8	178.6	47.7	0	0	0	0	113	P529 P1145	P529-T531 HydrophobicContact CG-CG2 4.31Å; P529-T531 PolarHBondContact O-N 3.08Å; T531-P1145 HydrophobicContact CG2-CB 4.03Å; T531-P1145 WeakPolarHBondContact OG1-CB 3.4Å
532	M	48.9	Very low	58.8	Low	112 Å²	112	74.9 Å²	74.9	55%	0.552	41%	0.413	S	S	*	.	S	Bend	trans	-105.9	-40.2	-171.7	-62.3	-73.7	88.2	0	0	113	D530 S534 I535 P1145	D530-M532 PolarHBondContact OD1-N 3.34Å; M532-S534 PolarHBondContact O-N 3.03Å; M532-I535 PolarHBondContact O-N 3.36Å; M532-P1145 HydrophobicContact CE-CB 4.44Å; M532-P1145 HydrophobicContact CE-CG 3.74Å
533	S	46.7	Very low	56	Low	49 Å²	49	85.4 Å²	85.4	34%	0.343	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	23.9	-174.3	79	0	0	0	0	116.1	D530 K550	D530-S533 VanDerWaalsContact CG-OG 3.27Å; D530-S533 PolarHBondContact OD1-N 3.16Å; D530-S533 WeakPolarHBondContact OD2-CB 3.29Å; D530-S533 PolarHBondContact OD2-OG 3.35Å; S533-K550 PolarHBondContact OG-NZ 3.17Å
534	S	40.4	Very low	53.7	Low	81 Å²	81	88.4 Å²	88.4	57%	0.566	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-4.4	175.5	65.2	0	0	0	0	114.6	M532	M532-S534 PolarHBondContact O-N 3.03Å
535	I	40.6	Very low	51.7	Low	139 Å²	139	94.5 Å²	94.5	71%	0.713	49%	0.493	S	S	*	.			trans	-118.3	104	174.5	-58.2	178.4	0	0	0	109.2	M532	M532-I535 PolarHBondContact O-N 3.36Å
536	T	40.7	Very low	49.6	Very low	70 Å²	70	100.3 Å²	100.3	43%	0.429	52%	0.523	S	S	.	.			trans	-129.2	124.8	160.6	56.5	0	0	0	0	105.5	D538 Q539	T536-D538 PolarHBondContact O-N 3.02Å; T536-Q539 PolarHBondContact O-N 3.25Å; T536-Q539 PolarHBondContact OG1-NE2 3.23Å
537	D	41.7	Very low	48.1	Very low	120 Å²	120	102.1 Å²	102.1	64%	0.642	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-58.6	-27.7	-167.4	-64.2	-58.4	0	0	0	114	Q539 I540	D537-Q539 PolarHBondContact O-N 3Å; D537-I540 HydrophobicContact CB-CD1 4.23Å; D537-I540 WeakPolarHBondContact O-CB 3.41Å; D537-I540 WeakPolarHBondContact O-CD1 3.24Å; D537-I540 VanDerWaalsContact O-CG1 3.27Å; D537-I540 WeakPolarHBondContact O-CG1 3.48Å; D537-I540 PolarHBondContact O-N 3.07Å; D537-I540 VanDerWaalsContact O-N 3.09Å
538	D	45.4	Very low	46.7	Very low	159 Å²	159	105 Å²	105	85%	0.85	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-58.2	-17.5	174.5	-56.3	-45.9	0	0	0	114.3	T536	T536-D538 PolarHBondContact O-N 3.02Å
539	Q	48.9	Very low	46	Very low	83 Å²	83	107 Å²	107	39%	0.388	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-87.7	-6.5	178.4	-73	-174.2	76.1	0	0	114.5	T536 D537 F541 G542	T536-Q539 PolarHBondContact O-N 3.25Å; T536-Q539 PolarHBondContact OG1-NE2 3.23Å; D537-Q539 PolarHBondContact O-N 3Å; Q539-F541 PolarHBondContact O-N 2.95Å; Q539-F541 VanDerWaalsContact O-N 3.08Å; Q539-G542 PolarHBondContact O-N 3.18Å; Q539-G542 VanDerWaalsContact O-N 3.13Å
540	I	45.1	Very low	45.8	Very low	115 Å²	115	109.6 Å²	109.6	59%	0.59	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-25.8	-174.8	-68.5	169.6	0	0	0	113	D537	D537-I540 HydrophobicContact CB-CD1 4.23Å; D537-I540 WeakPolarHBondContact O-CB 3.41Å; D537-I540 WeakPolarHBondContact O-CD1 3.24Å; D537-I540 VanDerWaalsContact O-CG1 3.27Å; D537-I540 WeakPolarHBondContact O-CG1 3.48Å; D537-I540 PolarHBondContact O-N 3.07Å; D537-I540 VanDerWaalsContact O-N 3.09Å
541	F	39.1	Very low	46	Very low	202 Å²	202	110.7 Å²	110.7	89%	0.886	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.9	-0.2	177.9	-66.1	-81.4	0	0	0	114.7	Q539	Q539-F541 PolarHBondContact O-N 2.95Å; Q539-F541 VanDerWaalsContact O-N 3.08Å
542	G	34.4	Very low	46.8	Very low	43 Å²	43	108.5 Å²	108.5	44%	0.443	56%	0.563	S	S	.	*			trans	-95.7	121.8	-175.8	0	0	0	0	0	114	Q539 V544	Q539-G542 PolarHBondContact O-N 3.18Å; Q539-G542 VanDerWaalsContact O-N 3.13Å; G542-V544 VanDerWaalsContact C-N 3.25Å; G542-V544 PolarHBondContact O-N 2.93Å
543	R	32.7	Very low	48.3	Very low	247 Å²	247	104.7 Å²	104.7	93%	0.932	55%	0.545	S	S	*	.			trans	-75.7	64	176.1	-74.9	-170.1	177.1	179.5	2.7	113.6	K545	R543-K545 PolarHBondContact O-N 3.17Å
544	V	38.6	Very low	50	Low	87 Å²	87	103.7 Å²	103.7	53%	0.527	53%	0.534	S	S	.	.			trans	-70	118.5	169.9	-173.7	0	0	0	0	109.5	G542 N546	G542-V544 VanDerWaalsContact C-N 3.25Å; G542-V544 PolarHBondContact O-N 2.93Å; V544-N546 PolarHBondContact O-N 3.3Å
545	K	41.2	Very low	52.3	Low	197 Å²	197	100.4 Å²	100.4	86%	0.857	51%	0.51	S	S	*	.			trans	-78.3	88.9	-178.2	-69.6	170.6	-174.9	157.9	0	110.9	R543	R543-K545 PolarHBondContact O-N 3.17Å
546	N	41.2	Very low	54.6	Low	145 Å²	145	94.2 Å²	94.2	78%	0.775	48%	0.478	S	S	*	.			trans	56.9	80.6	172.5	-58.4	8.5	0	0	0	113.8	V544 M548	V544-N546 PolarHBondContact O-N 3.3Å; N546-M548 PolarHBondContact O-N 2.7Å
547	P	47.1	Very low	56.9	Low	88 Å²	88	90.9 Å²	90.9	57%	0.571	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-55.3	127.5	155.7	27.3	-33	0	0	0	108.3
548	M	47.5	Very low	59.3	Low	111 Å²	111	85.6 Å²	85.6	55%	0.547	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-66.4	134.3	167.2	-68.3	-112.7	53.6	0	0	107.1	N546 K550	N546-M548 PolarHBondContact O-N 2.7Å; M548-K550 PolarHBondContact O-N 2.76Å; M548-K550 VanDerWaalsContact O-N 3.13Å
549	P	54.9	Low	61.5	Low	84 Å²	84	78 Å²	78	55%	0.545	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-57.5	123.5	171.3	25.3	-33.3	0	0	0	107.6
550	K	62.9	Low	63.5	Low	104 Å²	104	74.1 Å²	74.1	45%	0.452	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61.3	143.5	175.7	-59.8	174.6	-169.9	149.9	0	107.6	D530 S533 M548	D530-K550 HydrophobicContact CB-CB 3.78Å; D530-K550 VanDerWaalsContact CB-O 3.29Å; D530-K550 WeakPolarHBondContact CB-O 3.29Å; D530-K550 PolarHBondContact N-O 2.63Å; S533-K550 PolarHBondContact OG-NZ 3.17Å; M548-K550 PolarHBondContact O-N 2.76Å; M548-K550 VanDerWaalsContact O-N 3.13Å
551	I	70.5	Confident	65.7	Low	37 Å²	37	68.6 Å²	68.6	19%	0.19	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.3	176.1	-54.1	-178	0	0	0	106	L27 F32 I527 P1067	L27-I551 WeakPolarHBondContact CB-O 3.25Å; L27-I551 HydrophobicContact CD1-CB 4.2Å; L27-I551 HydrophobicContact CD1-CG2 3.81Å; L27-I551 PolarHBondContact N-O 2.93Å; F32-I551 HydrophobicContact CE1-CD1 4Å; F32-I551 HydrophobicContact CZ-CB 4.46Å; F32-I551 HydrophobicContact CZ-CD1 4.07Å; I527-I551 HydrophobicContact CG2-CG2 3.31Å; I551-P1067 HydrophobicContact CD1-CB 4.38Å; I551-P1067 HydrophobicContact CD1-CG 4Å
552	L	75.4	Confident	68	Low	6 Å²	6	61 Å²	61	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	134.5	-179.4	-51	-178.1	0	0	0	108.6	Y25 M528 D530 K554	Y25-L552 CarbonylContact O-C 3.44Å; Y25-L552 WeakPolarHBondContact O-CA 3.29Å; M528-L552 PolarHBondContact N-O 3.29Å; M528-L552 PolarHBondContact O-N 2.78Å; D530-L552 HydrophobicContact CB-CD1 4.06Å; D530-L552 HydrophobicContact CB-CD2 4.27Å; D530-L552 HydrophobicContact CB-CG 3.96Å; L552-K554 HydrophobicContact CB-CG 4.33Å
553	L	79.2	Confident	70.4	Confident	31 Å²	31	59.3 Å²	59.3	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.6	162.5	-165.7	70.5	0	0	0	108.1	Y25 L27 F500 P525 V526 I527	Y25-L553 PolarHBondContact N-O 2.94Å; Y25-L553 PolarHBondContact O-N 3.27Å; L27-L553 HydrophobicContact CD2-CB 4.29Å; F500-L553 HydrophobicContact CE2-CD2 3.95Å; F500-L553 HydrophobicContact CZ-CB 4.12Å; F500-L553 HydrophobicContact CZ-CD2 3.79Å; F500-L553 HydrophobicContact CZ-CG 3.9Å; P525-L553 HydrophobicContact CB-CD1 3.95Å; P525-L553 HydrophobicContact CB-CD2 3.89Å; P525-L553 HydrophobicContact CB-CG 3.69Å; P525-L553 WeakPolarHBondContact O-CD1 3.39Å; V526-L553 WeakPolarHBondContact O-CA 3.34Å; I527-L553 HydrophobicContact CG1-CD1 4.02Å
554	K	83.3	Confident	72.9	Confident	28 Å²	28	48.3 Å²	48.3	12%	0.122	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.3	178.7	-56.6	-149.5	-170	-160.3	0	112.2	H23 P496 H497 P525 V526 M528 L552	H23-K554 WeakPolarHBondContact O-CD 3.38Å; H23-K554 WeakPolarHBondContact O-CE 3.44Å; H23-K554 PolarHBondContact O-NZ 2.88Å; P496-K554 WeakPolarHBondContact O-CD 3.41Å; H497-K554 HydrophobicContact CB-CD 4.45Å; P525-K554 CarbonylContact C-O 3.48Å; V526-K554 PolarHBondContact N-O 2.87Å; V526-K554 PolarHBondContact O-N 3.32Å; M528-K554 HydrophobicContact CE-CB 3.83Å; M528-K554 HydrophobicContact CE-CD 3.67Å; M528-K554 HydrophobicContact CE-CG 3.84Å; L552-K554 HydrophobicContact CB-CG 4.33Å
555	R	87.7	Confident	74.9	Confident	13 Å²	13	47.8 Å²	47.8	5%	0.049	24%	0.241	C	C	.	.			trans	-87.4	118.9	164.5	-162.7	-172.2	-173	-168.3	1.3	107.1	E87 H497 I498 F500 I502 I522 L523	E87-R555 IonicContact OE2-CZ 3.9Å; E87-R555 IonicContact OE2-NH1 3.64Å; E87-R555 IonicContact OE2-NH2 3.65Å; E87-R555 PolarHBondContact OE2-NH2 3.15Å; H497-R555 CarbonylContact C-O 3.54Å; H497-R555 WeakPolarHBondContact CA-O 3.41Å; I498-R555 HydrophobicContact CB-CB 4.39Å; I498-R555 HydrophobicContact CB-CG 4.47Å; I498-R555 PolarHBondContact N-O 2.92Å; I498-R555 WeakPolarHBondContact O-CB 3.45Å; F500-R555 HydrophobicContact CD1-CB 4.1Å; F500-R555 HydrophobicContact CE1-CB 3.98Å; I502-R555 PolarHBondContact O-NH1 2.92Å; I522-R555 HydrophobicContact CG2-CG 3.72Å; I522-R555 VanDerWaalsContact CG2-NE 3.32Å; L523-R555 WeakPolarHBondContact O-CG 3.44Å
556	M	88.2	Confident	76.9	Confident	9 Å²	9	41.5 Å²	41.5	4%	0.044	22%	0.216	C	C	.	.			trans	-104.8	158.5	179.5	-81.4	163.8	50.6	0	0	110.4	F494 I522 L523 M528 W558 L1193	F494-M556 HydrophobicContact CE2-CB 4.39Å; F494-M556 HydrophobicContact CE2-CE 3.87Å; F494-M556 HydrophobicContact CE2-CG 4.32Å; F494-M556 HydrophobicContact CZ-CE 3.98Å; F494-M556 HydrophobicContact CZ-CG 4.35Å; I522-M556 WeakPolarHBondContact CA-O 3.47Å; L523-M556 HydrophobicContact CD1-CB 4.46Å; L523-M556 PolarHBondContact N-O 3.22Å; M528-M556 HydrophobicContact CE-CG 4.47Å; M528-M556 HydrophobicContact CE-SD 3.47Å; M528-M556 WeakPolarHBondContact CE-SD 3.4Å; M528-M556 HydrophobicContact SD-SD 4.31Å; M556-W558 HydrophobicContact CE-CH2 4.27Å; M556-W558 HydrophobicContact CE-CZ2 4.23Å; M556-L1193 HydrophobicContact CE-CB 4.37Å
557	G	90.3	Very high	78.8	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	167.6	174.3	0	0	0	0	0	114.2	F494 F495 A521	F494-G557 VanDerWaalsContact CD2-O 3.29Å; F494-G557 WeakPolarHBondContact CD2-O 3.5Å; F495-G557 PolarHBondContact N-O 3.31Å; F495-G557 PolarHBondContact O-N 3.29Å; A521-G557 CarbonylContact O-C 3.41Å; A521-G557 WeakPolarHBondContact O-CA 3.47Å
558	W	91.7	Very high	80.3	Confident	9 Å²	9	39.5 Å²	39.5	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	121.2	178.8	-58.2	-102.7	0	0	0	109.4	L493 F494 A521 L523 M556 M924 P925 L1193	L493-W558 WeakPolarHBondContact O-CA 3.44Å; F494-W558 AromaticContact CD2-CD1 3.69Å; F494-W558 HydrophobicContact CD2-CD2 4.27Å; F494-W558 AromaticContact CD2-CE2 3.82Å; F494-W558 HydrophobicContact CD2-CG 4.19Å; F494-W558 HydrophobicContact CD2-CZ2 4.46Å; F494-W558 AromaticContact CD2-NE1 3.44Å; F494-W558 HydrophobicContact CE2-CZ2 4.28Å; A521-W558 HydrophobicContact CB-CB 4.49Å; A521-W558 HydrophobicContact CB-CE3 4.11Å; A521-W558 PolarHBondContact N-O 3.35Å; A521-W558 PolarHBondContact O-N 2.71Å; L523-W558 HydrophobicContact CD1-CH2 3.78Å; L523-W558 HydrophobicContact CD1-CZ3 3.84Å; L523-W558 HydrophobicContact CD2-CZ3 4.49Å; L523-W558 HydrophobicContact CG-CH2 4.33Å; L523-W558 HydrophobicContact CG-CZ3 3.86Å; M556-W558 HydrophobicContact CE-CH2 4.27Å; M556-W558 HydrophobicContact CE-CZ2 4.23Å; W558-M924 HydrophobicContact CE3-SD 4.22Å; W558-M924 HydrophobicContact CZ3-SD 4.11Å; W558-P925 HydrophobicContact CB-CG 3.76Å; W558-P925 HydrophobicContact CG-CG 3.96Å; W558-L1193 WeakPolarHBondContact CH2-O 3.29Å; W558-L1193 WeakPolarHBondContact CZ2-O 3.48Å
559	A	92.4	Very high	81.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.7	163.1	0	0	0	0	0	109	L493 F495 L511 F517 L520 F561	L493-A559 HydrophobicContact CB-CB 4.34Å; L493-A559 PolarHBondContact N-O 3.21Å; L493-A559 PolarHBondContact O-N 2.95Å; F495-A559 HydrophobicContact CE2-CB 3.91Å; L511-A559 HydrophobicContact CD1-CB 3.85Å; L511-A559 HydrophobicContact CD2-CB 3.96Å; F517-A559 HydrophobicContact CD2-CB 4.46Å; F517-A559 HydrophobicContact CE2-CB 4.07Å; L520-A559 HydrophobicContact CD1-CB 4.1Å; A559-F561 HydrophobicContact CB-CE2 3.81Å; A559-F561 HydrophobicContact CB-CZ 4.33Å
560	S	90.9	Very high	83.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.3	178.3	-48.2	0	0	0	0	109.1	L518 R519	L518-S560 WeakPolarHBondContact CB-O 3.35Å; L518-S560 PolarHBondContact N-O 3.24Å; R519-S560 PolarHBondContact N-O 2.95Å; R519-S560 PolarHBondContact O-N 2.82Å
561	F	90.1	Very high	83.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	163.1	174.6	-59.9	-97.8	0	0	0	109.2	T490 S491 L493 L511 C514 H516 F517 A559 L578 I581 L585	T490-F561 CarbonylContact C-O 3.6Å; T490-F561 VanDerWaalsContact CA-O 3.29Å; T490-F561 WeakPolarHBondContact CA-O 3.49Å; T490-F561 VanDerWaalsContact CB-O 3.29Å; T490-F561 WeakPolarHBondContact CB-O 3.47Å; S491-F561 PolarHBondContact N-O 3.07Å; S491-F561 PolarHBondContact O-N 3.43Å; L493-F561 HydrophobicContact CB-CE2 3.85Å; L493-F561 HydrophobicContact CD2-CE2 4.46Å; L511-F561 HydrophobicContact CD2-CZ 3.9Å; C514-F561 HydrophobicContact CB-CE1 4.2Å; H516-F561 CarbonylContact O-C 3.41Å; H516-F561 WeakPolarHBondContact O-CA 3.32Å; H516-F561 WeakPolarHBondContact O-CB 3.42Å; F517-F561 HydrophobicContact CB-CD1 4.03Å; F517-F561 HydrophobicContact CB-CE1 3.87Å; F517-F561 HydrophobicContact CD2-CE1 4.19Å; F517-F561 HydrophobicContact CD2-CZ 4.29Å; A559-F561 HydrophobicContact CB-CE2 3.81Å; A559-F561 HydrophobicContact CB-CZ 4.33Å; F561-L578 HydrophobicContact CD2-CD2 3.77Å; F561-L578 HydrophobicContact CE2-CD2 4.26Å; F561-L578 HydrophobicContact CG-CD2 4.23Å; F561-I581 HydrophobicContact CE1-CG2 4.06Å; F561-I581 HydrophobicContact CZ-CG2 4.19Å; F561-L585 HydrophobicContact CZ-CD1 4.39Å
562	T	88.4	Confident	84.3	Confident	42 Å²	42	47.8 Å²	47.8	26%	0.258	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	150.4	168.2	59.1	0	0	0	0	110.2	S491 H516 L518 Q564 I576	S491-T562 WeakPolarHBondContact CB-O 3.44Å; H516-T562 PolarHBondContact O-N 3.36Å; L518-T562 HydrophobicContact CD1-CG2 4Å; L518-T562 HydrophobicContact CD2-CG2 3.83Å; L518-T562 HydrophobicContact CG-CG2 4.07Å; T562-Q564 VanDerWaalsContact C-N 3.32Å; T562-Q564 WeakPolarHBondContact CB-O 3.44Å; T562-Q564 PolarHBondContact OG1-O 2.84Å; T562-I576 VanDerWaalsContact O-CD1 3.27Å; T562-I576 WeakPolarHBondContact O-CD1 3.31Å; T562-I576 WeakPolarHBondContact OG1-CD1 3.44Å
563	S	84.1	Confident	84.4	Confident	8 Å²	8	51.3 Å²	51.3	6%	0.056	26%	0.259	C	S	.	.	S	Bend	trans	-73.3	-27.7	174.3	177.1	0	0	0	0	112.7	R485 Y489 I576	R485-S563 WeakPolarHBondContact CD-OG 3.34Å; R485-S563 PolarHBondContact NH1-OG 3.48Å; Y489-S563 WeakPolarHBondContact O-CB 3.34Å; Y489-S563 PolarHBondContact O-N 2.98Å; S563-I576 PolarHBondContact O-N 2.92Å; S563-I576 VanDerWaalsContact O-N 3.11Å
564	Q	84.6	Confident	84.5	Confident	15 Å²	15	52.6 Å²	52.6	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	164.4	-173.3	-67.7	174.8	-29.4	0	0	110.7	T483 T562 W573 I574 N575	T483-Q564 PolarHBondContact O-NE2 2.82Å; T483-Q564 PolarHBondContact O-OE1 3.24Å; T562-Q564 VanDerWaalsContact C-N 3.32Å; T562-Q564 WeakPolarHBondContact CB-O 3.44Å; T562-Q564 PolarHBondContact OG1-O 2.84Å; Q564-W573 HydrophobicContact CB-CE3 3.98Å; Q564-I574 CarbonylContact C-O 3.6Å; Q564-I574 WeakPolarHBondContact CA-O 3.38Å; Q564-I574 WeakPolarHBondContact CB-O 3.19Å; Q564-N575 WeakPolarHBondContact CG-OD1 3.45Å; Q564-N575 PolarHBondContact NE2-OD1 2.72Å
565	Y	82.4	Confident	84.5	Confident	76 Å²	76	55 Å²	55	30%	0.298	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	169.1	166	73	-76	0	0	0	109.2	H516 D567 W573 I574 I576	H516-Y565 AromaticContact CE1-CG 3.7Å; Y565-D567 WeakPolarHBondContact CE2-OD1 3.32Å; Y565-D567 VanDerWaalsContact CZ-OD1 3.29Å; Y565-D567 PolarHBondContact OH-OD1 3.28Å; Y565-W573 WeakPolarHBondContact O-CA 3.24Å; Y565-I574 HydrophobicContact CD1-CB 4.42Å; Y565-I574 HydrophobicContact CE1-CB 3.74Å; Y565-I574 HydrophobicContact CE1-CG2 3.73Å; Y565-I574 PolarHBondContact N-O 2.92Å; Y565-I574 PolarHBondContact O-N 2.87Å; Y565-I576 HydrophobicContact CD1-CD1 4.16Å; Y565-I576 HydrophobicContact CD1-CG1 3.63Å; Y565-I576 HydrophobicContact CE1-CG1 4.27Å
566	I	82	Confident	84.3	Confident	66 Å²	66	55.1 Å²	55.1	34%	0.338	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.1	174.3	-55.5	175.1	0	0	0	108.3	D568 W573	I566-D568 PolarHBondContact O-N 2.81Å; I566-W573 HydrophobicContact CD1-CH2 3.78Å; I566-W573 HydrophobicContact CD1-CZ2 3.61Å; I566-W573 HydrophobicContact CD1-CZ3 4.41Å; I566-W573 HydrophobicContact CG1-CD2 3.95Å; I566-W573 HydrophobicContact CG1-CE3 3.93Å; I566-W573 HydrophobicContact CG1-CH2 3.7Å; I566-W573 HydrophobicContact CG1-CZ2 3.7Å; I566-W573 HydrophobicContact CG1-CZ3 3.81Å
567	D	80.8	Confident	84.2	Confident	34 Å²	34	58.6 Å²	58.6	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	111	167.8	-104.4	21.2	0	0	0	109.7	Y565 V569 N570 N571 K572 I574	Y565-D567 WeakPolarHBondContact CE2-OD1 3.32Å; Y565-D567 VanDerWaalsContact CZ-OD1 3.29Å; Y565-D567 PolarHBondContact OH-OD1 3.28Å; D567-V569 PolarHBondContact O-N 3.08Å; D567-N570 HydrophobicContact CB-CB 4.08Å; D567-N570 PolarHBondContact O-N 2.81Å; D567-N570 PolarHBondContact OD2-ND2 3.07Å; D567-N570 VanDerWaalsContact OD2-ND2 3.08Å; D567-N571 WeakPolarHBondContact O-CA 3.38Å; D567-N571 PolarHBondContact O-N 2.84Å; D567-K572 PolarHBondContact N-O 3.08Å; D567-I574 HydrophobicContact CB-CD1 4.42Å; D567-I574 VanDerWaalsContact CG-CD1 3.44Å; D567-I574 WeakPolarHBondContact OD1-CD1 3.39Å; D567-I574 VanDerWaalsContact OD2-CD1 3.29Å; D567-I574 WeakPolarHBondContact OD2-CD1 3.05Å
568	D	78.4	Confident	84	Confident	156 Å²	156	58.9 Å²	58.9	83%	0.834	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-25.7	-179	-58.2	-48.3	0	0	0	114.2	I566	I566-D568 PolarHBondContact O-N 2.81Å
569	V	82.4	Confident	83.8	Confident	133 Å²	133	63.5 Å²	63.5	81%	0.806	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-31.8	-179.1	-178.4	0	0	0	0	112.3	D567	D567-V569 PolarHBondContact O-N 3.08Å
570	N	79.1	Confident	83.7	Confident	106 Å²	106	65.7 Å²	65.7	57%	0.567	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-9.3	-168.3	-62.9	-53.4	0	0	0	113.2	D567 K572	D567-N570 HydrophobicContact CB-CB 4.08Å; D567-N570 PolarHBondContact O-N 2.81Å; D567-N570 PolarHBondContact OD2-ND2 3.07Å; D567-N570 VanDerWaalsContact OD2-ND2 3.08Å; N570-K572 HydrophobicContact CB-CB 4.03Å; N570-K572 PolarHBondContact O-N 3.48Å; N570-K572 VanDerWaalsContact O-N 3.07Å
571	N	77.8	Confident	83.6	Confident	128 Å²	128	66.4 Å²	66.4	68%	0.684	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	27.8	-166.9	-72.7	-23.8	0	0	0	114	D567	D567-N571 WeakPolarHBondContact O-CA 3.38Å; D567-N571 PolarHBondContact O-N 2.84Å
572	K	81.1	Confident	83.7	Confident	144 Å²	144	68.4 Å²	68.4	63%	0.626	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.3	-174.6	-172.8	166.6	-175.2	167	0	111.2	D567 N570 I574	D567-K572 PolarHBondContact N-O 3.08Å; N570-K572 HydrophobicContact CB-CB 4.03Å; N570-K572 PolarHBondContact O-N 3.48Å; N570-K572 VanDerWaalsContact O-N 3.07Å; K572-I574 PolarHBondContact O-N 3.15Å
573	W	76.8	Confident	83.8	Confident	79 Å²	79	69.9 Å²	69.9	30%	0.299	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	120	173.1	-66.9	91.5	0	0	0	110.8	R484 Q564 Y565 I566	R484-W573 HydrophobicContact CB-CD2 4.14Å; R484-W573 HydrophobicContact CB-CG 4.33Å; R484-W573 HydrophobicContact CB-CZ2 4.3Å; R484-W573 VanDerWaalsContact CD-CZ2 3.42Å; R484-W573 HydrophobicContact CG-CD2 4.08Å; R484-W573 HydrophobicContact CG-CE3 4.36Å; R484-W573 HydrophobicContact CG-CH2 3.97Å; R484-W573 HydrophobicContact CG-CZ2 3.65Å; R484-W573 HydrophobicContact CG-CZ3 4.31Å; Q564-W573 HydrophobicContact CB-CE3 3.98Å; Y565-W573 WeakPolarHBondContact O-CA 3.24Å; I566-W573 HydrophobicContact CD1-CH2 3.78Å; I566-W573 HydrophobicContact CD1-CZ2 3.61Å; I566-W573 HydrophobicContact CD1-CZ3 4.41Å; I566-W573 HydrophobicContact CG1-CD2 3.95Å; I566-W573 HydrophobicContact CG1-CE3 3.93Å; I566-W573 HydrophobicContact CG1-CH2 3.7Å; I566-W573 HydrophobicContact CG1-CZ2 3.7Å; I566-W573 HydrophobicContact CG1-CZ3 3.81Å
574	I	82	Confident	84.1	Confident	59 Å²	59	76.2 Å²	76.2	30%	0.303	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.8	176	-62.9	-157.9	0	0	0	110.1	Q564 Y565 D567 K572	Q564-I574 CarbonylContact C-O 3.6Å; Q564-I574 WeakPolarHBondContact CA-O 3.38Å; Q564-I574 WeakPolarHBondContact CB-O 3.19Å; Y565-I574 HydrophobicContact CD1-CB 4.42Å; Y565-I574 HydrophobicContact CE1-CB 3.74Å; Y565-I574 HydrophobicContact CE1-CG2 3.73Å; Y565-I574 PolarHBondContact N-O 2.92Å; Y565-I574 PolarHBondContact O-N 2.87Å; D567-I574 HydrophobicContact CB-CD1 4.42Å; D567-I574 VanDerWaalsContact CG-CD1 3.44Å; D567-I574 WeakPolarHBondContact OD1-CD1 3.39Å; D567-I574 VanDerWaalsContact OD2-CD1 3.29Å; D567-I574 WeakPolarHBondContact OD2-CD1 3.05Å; K572-I574 PolarHBondContact O-N 3.15Å
575	N	83.4	Confident	84.4	Confident	79 Å²	79	75.5 Å²	75.5	42%	0.422	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.7	175.5	-61.8	-74.6	0	0	0	110.4	Q564 D577	Q564-N575 WeakPolarHBondContact CG-OD1 3.45Å; Q564-N575 PolarHBondContact NE2-OD1 2.72Å; N575-D577 PolarHBondContact O-N 2.89Å
576	I	84	Confident	84.8	Confident	15 Å²	15	73.6 Å²	73.6	8%	0.077	38%	0.383	C	S	.	.			trans	-76.5	120.3	-172.8	-75	165	0	0	0	111.9	H516 T562 S563 Y565 L578 I581	H516-I576 HydrophobicContact CB-CD1 3.72Å; T562-I576 VanDerWaalsContact O-CD1 3.27Å; T562-I576 WeakPolarHBondContact O-CD1 3.31Å; T562-I576 WeakPolarHBondContact OG1-CD1 3.44Å; S563-I576 PolarHBondContact O-N 2.92Å; S563-I576 VanDerWaalsContact O-N 3.11Å; Y565-I576 HydrophobicContact CD1-CD1 4.16Å; Y565-I576 HydrophobicContact CD1-CG1 3.63Å; Y565-I576 HydrophobicContact CE1-CG1 4.27Å; I576-L578 PolarHBondContact O-N 2.64Å; I576-I581 HydrophobicContact CG2-CD1 3.39Å; I576-I581 HydrophobicContact CG2-CG1 4.5Å
577	D	85.9	Confident	85.2	Confident	82 Å²	82	71.8 Å²	71.8	44%	0.439	38%	0.381	S	S	.	.			trans	-78.8	102.9	170.5	178	31.7	0	0	0	111.9	N575 I579 S580 I581	N575-D577 PolarHBondContact O-N 2.89Å; D577-I579 PolarHBondContact O-N 2.6Å; D577-I579 VanDerWaalsContact OD1-CB 3.31Å; D577-I579 WeakPolarHBondContact OD1-CB 3.29Å; D577-I579 PolarHBondContact OD1-N 2.93Å; D577-S580 WeakPolarHBondContact OD2-CB 3.4Å; D577-S580 PolarHBondContact OD2-N 2.95Å; D577-I581 PolarHBondContact O-N 3.27Å; D577-I581 VanDerWaalsContact O-N 3.1Å
578	L	86.3	Confident	85.7	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-63.6	-20.6	173.2	-68	171.1	0	0	0	113.7	L492 F561 I576 K582 P607	L492-L578 WeakPolarHBondContact O-CD1 3.4Å; F561-L578 HydrophobicContact CD2-CD2 3.77Å; F561-L578 HydrophobicContact CE2-CD2 4.26Å; F561-L578 HydrophobicContact CG-CD2 4.23Å; I576-L578 PolarHBondContact O-N 2.64Å; L578-K582 WeakPolarHBondContact O-CB 3.32Å; L578-K582 PolarHBondContact O-N 3.2Å; L578-P607 HydrophobicContact CB-CB 3.78Å; L578-P607 HydrophobicContact CD1-CB 3.68Å; L578-P607 HydrophobicContact CG-CB 4.42Å
579	I	88	Confident	86.3	Confident	105 Å²	105	65.1 Å²	65.1	54%	0.538	34%	0.343	S	S	.	.	H	α-helix	trans	-76.4	-47.2	-179.8	-55.7	177.9	0	0	0	109.9	D577 K582 S583 P607	D577-I579 PolarHBondContact O-N 2.6Å; D577-I579 VanDerWaalsContact OD1-CB 3.31Å; D577-I579 WeakPolarHBondContact OD1-CB 3.29Å; D577-I579 PolarHBondContact OD1-N 2.93Å; I579-K582 PolarHBondContact O-N 2.75Å; I579-S583 WeakPolarHBondContact O-CB 3.48Å; I579-S583 PolarHBondContact O-N 2.82Å; I579-S583 PolarHBondContact O-OG 3.29Å; I579-P607 HydrophobicContact CG1-CG 4.41Å
580	S	89.1	Confident	86.7	Confident	47 Å²	47	62.1 Å²	62.1	33%	0.329	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-48.6	169.4	-179.2	0	0	0	0	111.4	D577 K582 S583 K584	D577-S580 WeakPolarHBondContact OD2-CB 3.4Å; D577-S580 PolarHBondContact OD2-N 2.95Å; S580-K582 PolarHBondContact O-N 3.3Å; S580-S583 PolarHBondContact O-N 3.19Å; S580-S583 VanDerWaalsContact O-N 3.16Å; S580-K584 WeakPolarHBondContact O-CG 3.41Å; S580-K584 PolarHBondContact O-N 3.08Å
581	I	89	Confident	87.2	Confident	15 Å²	15	63.1 Å²	63.1	8%	0.077	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-50.4	175.9	-76	-177.3	0	0	0	111.7	F561 I576 D577 S583 K584 L585	F561-I581 HydrophobicContact CE1-CG2 4.06Å; F561-I581 HydrophobicContact CZ-CG2 4.19Å; I576-I581 HydrophobicContact CG2-CD1 3.39Å; I576-I581 HydrophobicContact CG2-CG1 4.5Å; D577-I581 PolarHBondContact O-N 3.27Å; D577-I581 VanDerWaalsContact O-N 3.1Å; I581-S583 PolarHBondContact O-N 2.8Å; I581-K584 PolarHBondContact O-N 2.85Å; I581-L585 HydrophobicContact CG2-CD1 3.67Å; I581-L585 HydrophobicContact CG2-CG 4.24Å; I581-L585 WeakPolarHBondContact O-CB 3.34Å; I581-L585 VanDerWaalsContact O-CG 3.29Å; I581-L585 WeakPolarHBondContact O-CG 3.46Å; I581-L585 PolarHBondContact O-N 3.4Å
582	K	91.2	Very high	87.6	Confident	42 Å²	42	63.3 Å²	63.3	18%	0.183	33%	0.327	C	S	.	.	H	α-helix	trans	-55.6	-40.7	176.7	175.9	-176.9	170.5	177.1	0	111.7	L493 L578 I579 S580 L585 I586 L602 R603 S605	L493-K582 HydrophobicContact CD1-CD 4.45Å; L578-K582 WeakPolarHBondContact O-CB 3.32Å; L578-K582 PolarHBondContact O-N 3.2Å; I579-K582 PolarHBondContact O-N 2.75Å; S580-K582 PolarHBondContact O-N 3.3Å; K582-L585 PolarHBondContact O-N 3.45Å; K582-I586 HydrophobicContact CG-CD1 3.91Å; K582-I586 WeakPolarHBondContact O-CD1 3.42Å; K582-I586 VanDerWaalsContact O-CG1 3.29Å; K582-I586 WeakPolarHBondContact O-CG1 3.46Å; K582-I586 PolarHBondContact O-N 2.9Å; K582-L602 VanDerWaalsContact CE-O 3.23Å; K582-L602 WeakPolarHBondContact CE-O 3.12Å; K582-R603 WeakPolarHBondContact CE-O 3.33Å; K582-R603 PolarHBondContact NZ-O 3.37Å; K582-S605 WeakPolarHBondContact CD-OG 3.22Å; K582-S605 WeakPolarHBondContact CE-OG 3.47Å; K582-S605 PolarHBondContact NZ-O 3.33Å
583	S	90.8	Very high	87.8	Confident	73 Å²	73	65.2 Å²	65.2	51%	0.51	34%	0.338	S	S	.	.	H	α-helix	trans	-68	-43.1	-179.3	-55.2	0	0	0	0	111.7	I579 S580 I581 I586 G587	I579-S583 WeakPolarHBondContact O-CB 3.48Å; I579-S583 PolarHBondContact O-N 2.82Å; I579-S583 PolarHBondContact O-OG 3.29Å; S580-S583 PolarHBondContact O-N 3.19Å; S580-S583 VanDerWaalsContact O-N 3.16Å; I581-S583 PolarHBondContact O-N 2.8Å; S583-I586 PolarHBondContact O-N 3.31Å; S583-G587 PolarHBondContact O-N 3.12Å; S583-G587 VanDerWaalsContact O-N 3.07Å
584	K	91.4	Very high	88.2	Confident	140 Å²	140	62.7 Å²	62.7	61%	0.609	34%	0.335	S	S	*	.	H	α-helix	trans	-62	-43.8	173.5	-68.6	175	-177.9	-176.7	0	112.2	S580 I581 I586 G587 H588	S580-K584 WeakPolarHBondContact O-CG 3.41Å; S580-K584 PolarHBondContact O-N 3.08Å; I581-K584 PolarHBondContact O-N 2.85Å; K584-I586 VanDerWaalsContact C-N 3.33Å; K584-I586 PolarHBondContact O-N 3.3Å; K584-G587 PolarHBondContact O-N 2.86Å; K584-H588 PolarHBondContact O-N 3.32Å
585	L	91.2	Very high	88.4	Confident	1 Å²	1	63 Å²	63	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-38.8	176.4	-72.5	169.2	0	0	0	112.5	V510 L511 F561 I581 K582 A589	V510-L585 HydrophobicContact CG1-CD2 4.26Å; V510-L585 WeakPolarHBondContact O-CD2 3.39Å; L511-L585 HydrophobicContact CD2-CD1 4Å; F561-L585 HydrophobicContact CZ-CD1 4.39Å; I581-L585 HydrophobicContact CG2-CD1 3.67Å; I581-L585 HydrophobicContact CG2-CG 4.24Å; I581-L585 WeakPolarHBondContact O-CB 3.34Å; I581-L585 VanDerWaalsContact O-CG 3.29Å; I581-L585 WeakPolarHBondContact O-CG 3.46Å; I581-L585 PolarHBondContact O-N 3.4Å; K582-L585 PolarHBondContact O-N 3.45Å; L585-A589 VanDerWaalsContact O-CB 3.28Å; L585-A589 WeakPolarHBondContact O-CB 3.42Å; L585-A589 PolarHBondContact O-N 3.08Å
586	I	90.7	Very high	88.6	Confident	36 Å²	36	63.3 Å²	63.3	19%	0.185	35%	0.35	C	S	.	.	H	α-helix	trans	-68.5	-38.9	175.6	-70	164.1	0	0	0	111.1	K582 S583 K584 V590 L602 R603	K582-I586 HydrophobicContact CG-CD1 3.91Å; K582-I586 WeakPolarHBondContact O-CD1 3.42Å; K582-I586 VanDerWaalsContact O-CG1 3.29Å; K582-I586 WeakPolarHBondContact O-CG1 3.46Å; K582-I586 PolarHBondContact O-N 2.9Å; S583-I586 PolarHBondContact O-N 3.31Å; K584-I586 VanDerWaalsContact C-N 3.33Å; K584-I586 PolarHBondContact O-N 3.3Å; I586-V590 WeakPolarHBondContact O-CG2 3.4Å; I586-V590 PolarHBondContact O-N 2.83Å; I586-V590 VanDerWaalsContact O-N 3.16Å; I586-L602 HydrophobicContact CG1-CB 3.81Å; I586-R603 HydrophobicContact CD1-CG 4.16Å
587	G	90.7	Very high	88.6	Confident	28 Å²	28	65.7 Å²	65.7	29%	0.289	36%	0.363	S	S	.	.	H	α-helix	trans	-58.2	-60.2	172.5	0	0	0	0	0	111.4	S583 K584 A589 V590 D591	S583-G587 PolarHBondContact O-N 3.12Å; S583-G587 VanDerWaalsContact O-N 3.07Å; K584-G587 PolarHBondContact O-N 2.86Å; G587-A589 VanDerWaalsContact C-N 3.26Å; G587-A589 PolarHBondContact O-N 2.88Å; G587-A589 VanDerWaalsContact O-N 3.16Å; G587-V590 CarbonylContact O-C 3.53Å; G587-V590 WeakPolarHBondContact O-CA 3.22Å; G587-V590 WeakPolarHBondContact O-CB 3.42Å; G587-V590 PolarHBondContact O-N 2.91Å; G587-D591 VanDerWaalsContact O-CG 3.23Å; G587-D591 PolarHBondContact O-N 2.92Å
588	H	90.4	Very high	88.8	Confident	48 Å²	48	62 Å²	62	22%	0.222	34%	0.343	C	S	.	.	H	α-helix	trans	-53.6	-38.9	178.1	179.9	-83.4	0	0	0	113.3	T513 K584 V590 D591 H592	T513-H588 VanDerWaalsContact CG2-CD2 3.47Å; T513-H588 WeakPolarHBondContact CG2-CD2 3.26Å; T513-H588 WeakPolarHBondContact CG2-NE2 3.15Å; T513-H588 PolarHBondContact OG1-CE1 2.96Å; T513-H588 PolarHBondContact OG1-NE2 3.08Å; T513-H588 VanDerWaalsContact OG1-NE2 3.15Å; K584-H588 PolarHBondContact O-N 3.32Å; H588-V590 VanDerWaalsContact C-N 3.32Å; H588-V590 PolarHBondContact O-N 2.83Å; H588-D591 PolarHBondContact O-N 3.36Å; H588-H592 AromaticContact CD2-CD2 3.61Å; H588-H592 AromaticContact CD2-NE2 3.76Å; H588-H592 AromaticContact CE1-CD2 3.58Å; H588-H592 AromaticContact CE1-NE2 3.98Å; H588-H592 AromaticContact CG-CD2 3.84Å; H588-H592 AromaticContact ND1-CD2 3.81Å; H588-H592 AromaticContact NE2-CD2 3.51Å; H588-H592 AromaticContact NE2-NE2 3.5Å; H588-H592 PolarHBondContact NE2-NE2 2.69Å; H588-H592 WeakPolarHBondContact O-CB 3.35Å; H588-H592 PolarHBondContact O-CD2 2.67Å; H588-H592 PolarHBondContact O-N 3.05Å
589	A	89.8	Confident	88.9	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-68.4	-28	176.2	0	0	0	0	0	113.7	V510 L585 G587 A594 L598 I599 L602	V510-A589 HydrophobicContact CG1-CB 4.25Å; L585-A589 VanDerWaalsContact O-CB 3.28Å; L585-A589 WeakPolarHBondContact O-CB 3.42Å; L585-A589 PolarHBondContact O-N 3.08Å; G587-A589 VanDerWaalsContact C-N 3.26Å; G587-A589 PolarHBondContact O-N 2.88Å; G587-A589 VanDerWaalsContact O-N 3.16Å; A589-A594 HydrophobicContact CB-CB 4.32Å; A589-A594 WeakPolarHBondContact O-CB 3.29Å; A589-A594 PolarHBondContact O-N 3.42Å; A589-L598 HydrophobicContact CB-CD2 4.19Å; A589-I599 HydrophobicContact CB-CG1 4.06Å; A589-L602 HydrophobicContact CB-CD1 3.62Å
590	V	91.6	Very high	88.8	Confident	71 Å²	71	60.5 Å²	60.5	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-77.3	-45.2	171.2	170.7	0	0	0	0	110.6	I586 G587 H588 H592 E593 I599	I586-V590 WeakPolarHBondContact O-CG2 3.4Å; I586-V590 PolarHBondContact O-N 2.83Å; I586-V590 VanDerWaalsContact O-N 3.16Å; G587-V590 CarbonylContact O-C 3.53Å; G587-V590 WeakPolarHBondContact O-CA 3.22Å; G587-V590 WeakPolarHBondContact O-CB 3.42Å; G587-V590 PolarHBondContact O-N 2.91Å; H588-V590 VanDerWaalsContact C-N 3.32Å; H588-V590 PolarHBondContact O-N 2.83Å; V590-H592 VanDerWaalsContact C-N 3.28Å; V590-H592 PolarHBondContact O-N 3.49Å; V590-E593 PolarHBondContact O-N 3.41Å; V590-E593 VanDerWaalsContact O-N 3.08Å; V590-I599 HydrophobicContact CG2-CD1 4.11Å; V590-I599 HydrophobicContact CG2-CG2 4.01Å
591	D	89.7	Confident	88.8	Confident	127 Å²	127	58.3 Å²	58.3	68%	0.679	32%	0.319	S	S	*	.	H	α-helix	trans	-64.1	-31.5	-176.9	-59.4	-34.7	0	0	0	112.6	G587 H588	G587-D591 VanDerWaalsContact O-CG 3.23Å; G587-D591 PolarHBondContact O-N 2.92Å; H588-D591 PolarHBondContact O-N 3.36Å
592	H	86.5	Confident	88.8	Confident	132 Å²	132	57.7 Å²	57.7	61%	0.611	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	16.6	175.2	-76.3	-85.1	0	0	0	114.4	H588 V590 A594	H588-H592 AromaticContact CD2-CD2 3.61Å; H588-H592 AromaticContact CD2-NE2 3.76Å; H588-H592 AromaticContact CE1-CD2 3.58Å; H588-H592 AromaticContact CE1-NE2 3.98Å; H588-H592 AromaticContact CG-CD2 3.84Å; H588-H592 AromaticContact ND1-CD2 3.81Å; H588-H592 AromaticContact NE2-CD2 3.51Å; H588-H592 AromaticContact NE2-NE2 3.5Å; H588-H592 PolarHBondContact NE2-NE2 2.69Å; H588-H592 WeakPolarHBondContact O-CB 3.35Å; H588-H592 PolarHBondContact O-CD2 2.67Å; H588-H592 PolarHBondContact O-N 3.05Å; V590-H592 VanDerWaalsContact C-N 3.28Å; V590-H592 PolarHBondContact O-N 3.49Å; H592-A594 PolarHBondContact O-N 3.5Å; H592-A594 VanDerWaalsContact O-N 3.14Å
593	E	85.7	Confident	88.7	Confident	183 Å²	183	61.4 Å²	61.4	86%	0.855	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	36.3	179.1	-58.5	-167.3	157.6	0	0	114.2	V590	V590-E593 PolarHBondContact O-N 3.41Å; V590-E593 VanDerWaalsContact O-N 3.08Å
594	A	84.8	Confident	88.6	Confident	27 Å²	27	59.7 Å²	59.7	22%	0.223	31%	0.314	C	S	.	.			trans	-65.1	159.7	-178	0	0	0	0	0	112.2	A589 H592 S596 L598 I599	A589-A594 HydrophobicContact CB-CB 4.32Å; A589-A594 WeakPolarHBondContact O-CB 3.29Å; A589-A594 PolarHBondContact O-N 3.42Å; H592-A594 PolarHBondContact O-N 3.5Å; H592-A594 VanDerWaalsContact O-N 3.14Å; A594-S596 PolarHBondContact O-N 2.89Å; A594-L598 HydrophobicContact CB-CD2 4.16Å; A594-I599 HydrophobicContact CB-CG1 4.32Å; A594-I599 VanDerWaalsContact O-CD1 3.26Å; A594-I599 WeakPolarHBondContact O-CD1 3.49Å
595	S	86.5	Confident	88.5	Confident	65 Å²	65	53.1 Å²	53.1	46%	0.455	29%	0.285	S	S	.	.			trans	-57.8	140.1	-176.2	68	0	0	0	0	112.5	D597 L598 I599	S595-D597 PolarHBondContact O-N 3.24Å; S595-D597 VanDerWaalsContact O-N 3.12Å; S595-L598 WeakPolarHBondContact O-CA 3.36Å; S595-L598 WeakPolarHBondContact O-CB 3.16Å; S595-L598 PolarHBondContact O-N 3.46Å; S595-L598 WeakPolarHBondContact OG-CB 3.46Å; S595-I599 PolarHBondContact O-N 3.05Å
596	S	86.1	Confident	88.3	Confident	86 Å²	86	59.7 Å²	59.7	60%	0.601	31%	0.31	S	S	*	.	H	α-helix	trans	-51.8	-39.4	-179.3	53.8	0	0	0	0	112.8	A594 L598 I599 E600	A594-S596 PolarHBondContact O-N 2.89Å; S596-L598 VanDerWaalsContact C-N 3.34Å; S596-L598 PolarHBondContact O-N 2.89Å; S596-I599 PolarHBondContact O-N 2.87Å; S596-E600 WeakPolarHBondContact O-CB 3.33Å; S596-E600 PolarHBondContact O-N 3.07Å
597	D	86	Confident	88.2	Confident	64 Å²	64	60.2 Å²	60.2	34%	0.342	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-36.2	177.9	-70.1	23	0	0	0	112.3	P499 I502 S595 C601	P499-D597 HydrophobicContact CB-CB 4.22Å; P499-D597 HydrophobicContact CG-CB 4.09Å; I502-D597 HydrophobicContact CD1-CB 4.06Å; I502-D597 HydrophobicContact CG1-CB 4.43Å; S595-D597 PolarHBondContact O-N 3.24Å; S595-D597 VanDerWaalsContact O-N 3.12Å; D597-C601 WeakPolarHBondContact O-CB 3.5Å; D597-C601 PolarHBondContact O-N 3.14Å
598	L	88.5	Confident	87.8	Confident	5 Å²	5	61.3 Å²	61.3	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-74.5	-43.9	176.1	-175	150.6	0	0	0	111.2	I502 D506 L507 V510 A589 A594 S595 S596 E600 C601 L602	I502-L598 HydrophobicContact CD1-CB 4.01Å; I502-L598 HydrophobicContact CG2-CD1 4.31Å; D506-L598 HydrophobicContact CB-CD1 4.19Å; L507-L598 HydrophobicContact CD2-CD1 4.01Å; L507-L598 HydrophobicContact CD2-CG 3.95Å; L507-L598 HydrophobicContact CG-CD1 4.41Å; V510-L598 HydrophobicContact CG2-CD2 4.14Å; A589-L598 HydrophobicContact CB-CD2 4.19Å; A594-L598 HydrophobicContact CB-CD2 4.16Å; S595-L598 WeakPolarHBondContact O-CA 3.36Å; S595-L598 WeakPolarHBondContact O-CB 3.16Å; S595-L598 PolarHBondContact O-N 3.46Å; S595-L598 WeakPolarHBondContact OG-CB 3.46Å; S596-L598 VanDerWaalsContact C-N 3.34Å; S596-L598 PolarHBondContact O-N 2.89Å; L598-E600 VanDerWaalsContact C-N 3.32Å; L598-E600 PolarHBondContact O-N 3.46Å; L598-C601 WeakPolarHBondContact O-CB 3.16Å; L598-C601 PolarHBondContact O-N 2.96Å; L598-L602 HydrophobicContact CD2-CD1 3.68Å; L598-L602 HydrophobicContact CD2-CG 4.33Å; L598-L602 PolarHBondContact O-N 3.08Å
599	I	88.7	Confident	86.8	Confident	17 Å²	17	66 Å²	66	9%	0.087	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-41.9	177.4	-56.3	169.6	0	0	0	110	A589 V590 A594 S595 S596 L602 R603	A589-I599 HydrophobicContact CB-CG1 4.06Å; V590-I599 HydrophobicContact CG2-CD1 4.11Å; V590-I599 HydrophobicContact CG2-CG2 4.01Å; A594-I599 HydrophobicContact CB-CG1 4.32Å; A594-I599 VanDerWaalsContact O-CD1 3.26Å; A594-I599 WeakPolarHBondContact O-CD1 3.49Å; S595-I599 PolarHBondContact O-N 3.05Å; S596-I599 PolarHBondContact O-N 2.87Å; I599-L602 WeakPolarHBondContact O-CB 3.3Å; I599-L602 PolarHBondContact O-N 3.31Å; I599-R603 WeakPolarHBondContact O-CG 3.41Å; I599-R603 PolarHBondContact O-N 2.96Å
600	E	86.6	Confident	85.8	Confident	62 Å²	62	69.5 Å²	69.5	29%	0.29	36%	0.359	S	S	.	.	H	α-helix	trans	-68.6	-38.8	175.8	-165.5	57.4	-149.9	0	0	112	S596 L598 L602 R603 L604	S596-E600 WeakPolarHBondContact O-CB 3.33Å; S596-E600 PolarHBondContact O-N 3.07Å; L598-E600 VanDerWaalsContact C-N 3.32Å; L598-E600 PolarHBondContact O-N 3.46Å; E600-L602 VanDerWaalsContact C-N 3.28Å; E600-L602 PolarHBondContact O-N 3.34Å; E600-R603 PolarHBondContact O-N 2.66Å; E600-R603 VanDerWaalsContact O-N 3.13Å; E600-R603 WeakPolarHBondContact OE2-CD 3.35Å; E600-R603 IonicContact OE2-CZ 2.78Å; E600-R603 IonicContact OE2-NE 2.71Å; E600-R603 IonicContact OE2-NH1 3.55Å; E600-R603 PolarHBondContact OE2-NH1 3.03Å; E600-L604 HydrophobicContact CG-CD1 4.08Å; E600-L604 HydrophobicContact CG-CG 4.45Å; E600-L604 WeakPolarHBondContact O-CB 3.44Å; E600-L604 WeakPolarHBondContact O-CD1 3.2Å; E600-L604 WeakPolarHBondContact O-CG 3.37Å; E600-L604 PolarHBondContact O-N 3.41Å
601	C	88.6	Confident	84.7	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.014	34%	0.343	C	S	.	.	H	α-helix	trans	-56.3	-41.7	171.1	-174	0	0	0	0	112	D597 L598 L604 S605	D597-C601 WeakPolarHBondContact O-CB 3.5Å; D597-C601 PolarHBondContact O-N 3.14Å; L598-C601 WeakPolarHBondContact O-CB 3.16Å; L598-C601 PolarHBondContact O-N 2.96Å; C601-L604 PolarHBondContact O-N 3Å; C601-S605 PolarHBondContact O-N 3.45Å
602	L	89.1	Confident	83.7	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-65.6	-44	173	-72.7	168.8	0	0	0	112.1	F495 V510 K582 I586 A589 L598 I599 E600 L604 S605	F495-L602 HydrophobicContact CE1-CD2 4.12Å; F495-L602 HydrophobicContact CZ-CD2 4.29Å; V510-L602 HydrophobicContact CG1-CD1 4.03Å; K582-L602 VanDerWaalsContact CE-O 3.23Å; K582-L602 WeakPolarHBondContact CE-O 3.12Å; I586-L602 HydrophobicContact CG1-CB 3.81Å; A589-L602 HydrophobicContact CB-CD1 3.62Å; L598-L602 HydrophobicContact CD2-CD1 3.68Å; L598-L602 HydrophobicContact CD2-CG 4.33Å; L598-L602 PolarHBondContact O-N 3.08Å; I599-L602 WeakPolarHBondContact O-CB 3.3Å; I599-L602 PolarHBondContact O-N 3.31Å; E600-L602 VanDerWaalsContact C-N 3.28Å; E600-L602 PolarHBondContact O-N 3.34Å; L602-L604 VanDerWaalsContact C-N 3.28Å; L602-L604 PolarHBondContact O-N 3.44Å; L602-S605 WeakPolarHBondContact O-CB 3.08Å; L602-S605 PolarHBondContact O-N 3.43Å; L602-S605 PolarHBondContact O-OG 3.33Å
603	R	89.4	Confident	82.9	Confident	119 Å²	119	61.9 Å²	61.9	45%	0.449	31%	0.313	S	S	.	.	H	α-helix	trans	-58.7	-38.9	175.9	-70.3	-176.3	-165.1	118	2.6	112.6	K582 I586 I599 E600 S605	K582-R603 WeakPolarHBondContact CE-O 3.33Å; K582-R603 PolarHBondContact NZ-O 3.37Å; I586-R603 HydrophobicContact CD1-CG 4.16Å; I599-R603 WeakPolarHBondContact O-CG 3.41Å; I599-R603 PolarHBondContact O-N 2.96Å; E600-R603 PolarHBondContact O-N 2.66Å; E600-R603 VanDerWaalsContact O-N 3.13Å; E600-R603 WeakPolarHBondContact OE2-CD 3.35Å; E600-R603 IonicContact OE2-CZ 2.78Å; E600-R603 IonicContact OE2-NE 2.71Å; E600-R603 IonicContact OE2-NH1 3.55Å; E600-R603 PolarHBondContact OE2-NH1 3.03Å; R603-S605 VanDerWaalsContact C-N 3.34Å
604	L	87.7	Confident	82.5	Confident	38 Å²	38	55 Å²	55	20%	0.199	28%	0.284	C	S	.	.	H	α-helix	trans	-77.4	-15.7	-178.3	-65.9	166.5	0	0	0	114.8	H23 P496 E600 C601 L602	H23-L604 HydrophobicContact CB-CD1 4.1Å; H23-L604 VanDerWaalsContact CE1-CD1 3.45Å; H23-L604 WeakPolarHBondContact CE1-CD1 3.28Å; H23-L604 VanDerWaalsContact CE1-CD2 3.43Å; H23-L604 WeakPolarHBondContact CE1-CD2 3.48Å; H23-L604 VanDerWaalsContact CG-CD1 3.43Å; H23-L604 VanDerWaalsContact ND1-CD1 3.31Å; H23-L604 WeakPolarHBondContact ND1-CD1 3.25Å; H23-L604 WeakPolarHBondContact ND1-CD2 3.34Å; P496-L604 WeakPolarHBondContact CD-O 3.49Å; E600-L604 HydrophobicContact CG-CD1 4.08Å; E600-L604 HydrophobicContact CG-CG 4.45Å; E600-L604 WeakPolarHBondContact O-CB 3.44Å; E600-L604 WeakPolarHBondContact O-CD1 3.2Å; E600-L604 WeakPolarHBondContact O-CG 3.37Å; E600-L604 PolarHBondContact O-N 3.41Å; C601-L604 PolarHBondContact O-N 3Å; L602-L604 VanDerWaalsContact C-N 3.28Å; L602-L604 PolarHBondContact O-N 3.44Å
605	S	89.4	Confident	82.3	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.014	29%	0.293	C	S	.	.			trans	-59	153	178	70.7	0	0	0	0	112.5	F494 K582 C601 L602 R603	F494-S605 CarbonylContact O-C 3.6Å; F494-S605 VanDerWaalsContact O-CA 3.23Å; F494-S605 WeakPolarHBondContact O-CA 3.44Å; K582-S605 WeakPolarHBondContact CD-OG 3.22Å; K582-S605 WeakPolarHBondContact CE-OG 3.47Å; K582-S605 PolarHBondContact NZ-O 3.33Å; C601-S605 PolarHBondContact O-N 3.45Å; L602-S605 WeakPolarHBondContact O-CB 3.08Å; L602-S605 PolarHBondContact O-N 3.43Å; L602-S605 PolarHBondContact O-OG 3.33Å; R603-S605 VanDerWaalsContact C-N 3.34Å
606	R	88.7	Confident	82.1	Confident	138 Å²	138	56.9 Å²	56.9	52%	0.521	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.7	-177.6	-60.9	-176.4	-179.1	-170.8	-3.1	110.4	F494 I608	F494-R606 PolarHBondContact N-O 3.25Å; F494-R606 PolarHBondContact O-N 3Å; R606-I608 PolarHBondContact O-N 3.46Å
607	P	86.7	Confident	81.9	Confident	47 Å²	47	58 Å²	58	31%	0.305	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	131.3	169.3	28.3	-33.3	0	0	0	109.5	L492 L578 I579	L492-P607 CarbonylContact O-C 2.99Å; L492-P607 WeakPolarHBondContact O-CA 3.44Å; L578-P607 HydrophobicContact CB-CB 3.78Å; L578-P607 HydrophobicContact CD1-CB 3.68Å; L578-P607 HydrophobicContact CG-CB 4.42Å; I579-P607 HydrophobicContact CG1-CG 4.41Å
608	I	82.5	Confident	81.7	Confident	52 Å²	52	60.3 Å²	60.3	27%	0.267	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	103	166.9	-58.3	-177.6	0	0	0	106.9	L492 F494 R606 H611	L492-I608 HydrophobicContact CB-CB 4.29Å; L492-I608 PolarHBondContact O-N 2.93Å; F494-I608 HydrophobicContact CB-CD1 3.57Å; F494-I608 HydrophobicContact CB-CG1 3.81Å; F494-I608 HydrophobicContact CD1-CD1 4.49Å; F494-I608 HydrophobicContact CG-CD1 4.03Å; R606-I608 PolarHBondContact O-N 3.46Å; I608-H611 HydrophobicContact CG2-CB 3.91Å
609	L	70.5	Confident	81.7	Confident	146 Å²	146	60.7 Å²	60.7	76%	0.764	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	139.4	172.6	-59.6	175.2	0	0	0	109.8	H611	L609-H611 PolarHBondContact O-N 3.09Å
610	D	68.3	Low	81.8	Confident	74 Å²	74	59.9 Å²	59.9	40%	0.396	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	38.1	163.6	-128.3	-29	0	0	0	116.3	L612 K613	D610-L612 PolarHBondContact O-N 3.36Å; D610-K613 HydrophobicContact CB-CD 4.42Å; D610-K613 VanDerWaalsContact CG-CD 3.45Å; D610-K613 PolarHBondContact O-N 3.5Å; D610-K613 WeakPolarHBondContact OD1-CD 3.48Å; D610-K613 WeakPolarHBondContact OD1-CE 3.45Å; D610-K613 WeakPolarHBondContact OD1-CG 3.22Å; D610-K613 IonicContact OD1-NZ 2.71Å; D610-K613 VanDerWaalsContact OD2-CD 3.32Å; D610-K613 WeakPolarHBondContact OD2-CD 3.45Å; D610-K613 WeakPolarHBondContact OD2-CE 3.36Å; D610-K613 IonicContact OD2-NZ 2.79Å; D610-K613 PolarHBondContact OD2-NZ 3.15Å
611	H	68.7	Low	81.9	Confident	22 Å²	22	59.3 Å²	59.3	10%	0.102	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-4.8	-176.5	80.5	-84.6	0	0	0	116.1	T490 L492 I608 L609 R929	T490-H611 PolarHBondContact O-CE1 3.18Å; T490-H611 VanDerWaalsContact O-CE1 3.22Å; T490-H611 PolarHBondContact O-ND1 3.17Å; T490-H611 PolarHBondContact OG1-CE1 2.81Å; L492-H611 HydrophobicContact CD1-CB 3.97Å; L492-H611 VanDerWaalsContact CD1-CG 3.45Å; L492-H611 WeakPolarHBondContact CD1-ND1 3.18Å; I608-H611 HydrophobicContact CG2-CB 3.91Å; L609-H611 PolarHBondContact O-N 3.09Å; H611-R929 PolarHBondContact O-NH2 2.97Å
612	L	68.4	Low	81.7	Confident	10 Å²	10	61.7 Å²	61.7	5%	0.052	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	0.8	-179.6	-57.6	177.3	0	0	0	113.6	Y489 D610 V614 H926	Y489-L612 HydrophobicContact CD1-CD1 3.7Å; Y489-L612 HydrophobicContact CE1-CB 3.99Å; Y489-L612 HydrophobicContact CE1-CD1 3.78Å; Y489-L612 HydrophobicContact CG-CD1 4.17Å; D610-L612 PolarHBondContact O-N 3.36Å; L612-V614 PolarHBondContact O-N 3.49Å; L612-H926 HydrophobicContact CD2-CB 4.26Å; L612-H926 WeakPolarHBondContact CD2-CD2 3.33Å
613	K	70.7	Confident	80.8	Confident	138 Å²	138	65.9 Å²	65.9	60%	0.6	32%	0.321	S	S	*	.			trans	-80.9	56.2	164.4	-77.2	-179.3	-172.7	161	0	111.4	D610	D610-K613 HydrophobicContact CB-CD 4.42Å; D610-K613 VanDerWaalsContact CG-CD 3.45Å; D610-K613 PolarHBondContact O-N 3.5Å; D610-K613 WeakPolarHBondContact OD1-CD 3.48Å; D610-K613 WeakPolarHBondContact OD1-CE 3.45Å; D610-K613 WeakPolarHBondContact OD1-CG 3.22Å; D610-K613 IonicContact OD1-NZ 2.71Å; D610-K613 VanDerWaalsContact OD2-CD 3.32Å; D610-K613 WeakPolarHBondContact OD2-CD 3.45Å; D610-K613 WeakPolarHBondContact OD2-CE 3.36Å; D610-K613 IonicContact OD2-NZ 2.79Å; D610-K613 PolarHBondContact OD2-NZ 3.15Å
614	V	76.5	Confident	80.3	Confident	40 Å²	40	60.3 Å²	60.3	24%	0.242	30%	0.3	C	S	.	.			trans	-103.9	134.3	173.4	174.5	0	0	0	0	107.9	L612 E618 R619	L612-V614 PolarHBondContact O-N 3.49Å; V614-E618 HydrophobicContact CG1-CB 3.55Å; V614-R619 HydrophobicContact CB-CG 4.44Å; V614-R619 HydrophobicContact CG1-CG 4.08Å
615	P	80.2	Confident	80	Confident	64 Å²	64	60.7 Å²	60.7	42%	0.416	30%	0.3	S	S	.	.			trans	-55.2	148.8	177.1	-25.6	34.6	0	0	0	112.8	E617 E618 R619	P615-E617 WeakPolarHBondContact CB-OE2 3.25Å; P615-E617 PolarHBondContact O-N 3.27Å; P615-E618 HydrophobicContact CB-CG 4.42Å; P615-E618 HydrophobicContact CG-CG 4.48Å; P615-E618 PolarHBondContact O-N 3.05Å; P615-R619 PolarHBondContact O-N 3.37Å
616	L	82.3	Confident	79.9	Confident	66 Å²	66	60.8 Å²	60.8	35%	0.346	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-37.1	-177.8	-62.3	175.1	0	0	0	111.3	E130 V134 E618 R619 A620	E130-L616 HydrophobicContact CB-CB 4.41Å; V134-L616 HydrophobicContact CB-CD2 4Å; V134-L616 HydrophobicContact CG1-CD2 3.75Å; V134-L616 HydrophobicContact CG2-CD2 4.1Å; L616-E618 PolarHBondContact O-N 2.73Å; L616-R619 PolarHBondContact O-N 3.18Å; L616-R619 VanDerWaalsContact O-N 3.08Å; L616-A620 PolarHBondContact O-N 3.36Å
617	E	82	Confident	79.8	Confident	111 Å²	111	54.3 Å²	54.3	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-73	-14.8	178.7	-40.5	97	118.4	0	0	113.5	P615	P615-E617 WeakPolarHBondContact CB-OE2 3.25Å; P615-E617 PolarHBondContact O-N 3.27Å
618	E	83	Confident	79.8	Confident	112 Å²	112	55.1 Å²	55.1	52%	0.523	28%	0.278	S	S	.	.	H	α-helix	trans	-89.7	-14.9	170.9	-70.5	-170.1	176.1	0	0	112.3	V614 P615 L616 R621	V614-E618 HydrophobicContact CG1-CB 3.55Å; P615-E618 HydrophobicContact CB-CG 4.42Å; P615-E618 HydrophobicContact CG-CG 4.48Å; P615-E618 PolarHBondContact O-N 3.05Å; L616-E618 PolarHBondContact O-N 2.73Å; E618-R621 WeakPolarHBondContact O-CG 3.44Å; E618-R621 PolarHBondContact O-NE 2.89Å
619	R	88.1	Confident	79.9	Confident	13 Å²	13	55.1 Å²	55.1	5%	0.049	28%	0.276	C	S	.	.	H	α-helix	trans	-92.9	-40	169.7	-66.7	-167.5	63.3	-173.6	-8.5	113.4	V134 D138 V614 P615 L616 R929 L930 I931	V134-R619 HydrophobicContact CG2-CB 3.79Å; D138-R619 IonicContact OD1-CZ 3.96Å; D138-R619 IonicContact OD1-NH1 3.4Å; D138-R619 PolarHBondContact OD1-NH1 2.95Å; D138-R619 IonicContact OD1-NH2 3.86Å; D138-R619 PolarHBondContact OD1-NH2 3.12Å; D138-R619 IonicContact OD2-CZ 2.92Å; D138-R619 IonicContact OD2-NH1 2.87Å; D138-R619 PolarHBondContact OD2-NH1 3.05Å; D138-R619 IonicContact OD2-NH2 2.98Å; V614-R619 HydrophobicContact CB-CG 4.44Å; V614-R619 HydrophobicContact CG1-CG 4.08Å; P615-R619 PolarHBondContact O-N 3.37Å; L616-R619 PolarHBondContact O-N 3.18Å; L616-R619 VanDerWaalsContact O-N 3.08Å; R619-R929 PolarHBondContact NE-O 3.04Å; R619-R929 PolarHBondContact NH2-O 3.23Å; R619-L930 WeakPolarHBondContact O-CA 3.29Å; R619-L930 WeakPolarHBondContact O-CD1 3.49Å; R619-I931 PolarHBondContact O-N 3.39Å
620	A	90.6	Very high	80.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	85.9	176.6	0	0	0	0	0	109.5	E130 I133 V134 L616 I931 I933	E130-A620 HydrophobicContact CB-CB 4.07Å; E130-A620 HydrophobicContact CG-CB 3.82Å; I133-A620 HydrophobicContact CG2-CB 4.5Å; V134-A620 HydrophobicContact CG2-CB 4.25Å; L616-A620 PolarHBondContact O-N 3.36Å; A620-I931 CarbonylContact C-O 3.57Å; A620-I931 WeakPolarHBondContact CA-O 3.49Å; A620-I931 HydrophobicContact CB-CG2 4.33Å; A620-I933 HydrophobicContact CB-CD1 4.26Å; A620-I933 HydrophobicContact CB-CG2 4.43Å
621	R	88.2	Confident	81.5	Confident	50 Å²	50	46.4 Å²	46.4	19%	0.189	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	113.4	-163.8	-66.3	-171.4	-169.8	167.2	-2.1	113.9	E618 T623 L930 I931 H932 I933 D1192	E618-R621 WeakPolarHBondContact O-CG 3.44Å; E618-R621 PolarHBondContact O-NE 2.89Å; R621-T623 VanDerWaalsContact C-N 3.33Å; R621-T623 PolarHBondContact O-N 3.19Å; R621-L930 HydrophobicContact CG-CD1 3.77Å; R621-I931 PolarHBondContact N-O 3.31Å; R621-H932 CarbonylContact O-C 3.54Å; R621-H932 WeakPolarHBondContact O-CA 3.39Å; R621-H932 WeakPolarHBondContact O-CB 3.36Å; R621-H932 PolarHBondContact O-CD2 2.96Å; R621-I933 PolarHBondContact O-N 3.41Å; R621-D1192 IonicContact CZ-OD1 3.78Å; R621-D1192 IonicContact CZ-OD2 2.67Å; R621-D1192 IonicContact NH1-OD1 2.72Å; R621-D1192 IonicContact NH1-OD2 3.08Å; R621-D1192 PolarHBondContact NH1-OD2 3.24Å; R621-D1192 IonicContact NH2-OD1 3.73Å; R621-D1192 PolarHBondContact NH2-OD1 3.08Å; R621-D1192 IonicContact NH2-OD2 2.76Å; R621-D1192 PolarHBondContact NH2-OD2 2.89Å
622	K	84	Confident	82.2	Confident	51 Å²	51	50.5 Å²	50.5	22%	0.222	26%	0.257	C	S	.	.			trans	-68.4	-22.7	168.2	56.5	-175.8	126.4	-154.9	0	115.4	S127 E130 G624 I933 E939	S127-K622 PolarHBondContact OG-NZ 3.07Å; E130-K622 IonicContact OE1-NZ 3.93Å; K622-G624 PolarHBondContact O-N 3.15Å; K622-G624 VanDerWaalsContact O-N 3.07Å; K622-I933 HydrophobicContact CB-CG1 4.33Å; K622-E939 VanDerWaalsContact CD-CD 3.48Å; K622-E939 WeakPolarHBondContact CD-OE1 3.49Å; K622-E939 WeakPolarHBondContact CD-OE2 3.45Å; K622-E939 WeakPolarHBondContact CE-OE1 3.48Å; K622-E939 IonicContact NZ-OE1 3.72Å; K622-E939 PolarHBondContact NZ-OE1 3.31Å; K622-E939 IonicContact NZ-OE2 2.73Å
623	T	71.9	Confident	82.8	Confident	91 Å²	91	50.8 Å²	50.8	56%	0.558	26%	0.259	S	S	*	.			trans	-86.9	68	-175.5	56.8	0	0	0	0	112.6	R621	R621-T623 VanDerWaalsContact C-N 3.33Å; R621-T623 PolarHBondContact O-N 3.19Å
624	G	78.1	Confident	83.4	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.01	24%	0.241	C	C	.	.			trans	-86.2	153.8	170.7	0	0	0	0	0	112.5	K622 L626 F627 D628	K622-G624 PolarHBondContact O-N 3.15Å; K622-G624 VanDerWaalsContact O-N 3.07Å; G624-L626 PolarHBondContact O-N 2.76Å; G624-L626 VanDerWaalsContact O-N 3.16Å; G624-F627 PolarHBondContact O-N 3.06Å; G624-F627 VanDerWaalsContact O-N 3.1Å; G624-D628 WeakPolarHBondContact O-CB 3.23Å; G624-D628 PolarHBondContact O-N 3.27Å
625	H	82	Confident	83.7	Confident	46 Å²	46	44 Å²	44	21%	0.213	23%	0.23	C	C	.	.	H	α-helix	trans	-64.1	-22.8	-179.1	-172	50	0	0	0	114.1	K629	H625-K629 VanDerWaalsContact CE1-CE 3.46Å; H625-K629 WeakPolarHBondContact CE1-CE 3.4Å; H625-K629 WeakPolarHBondContact NE2-CE 3.39Å; H625-K629 PolarHBondContact NE2-NZ 2.73Å; H625-K629 WeakPolarHBondContact O-CG 3.5Å
626	L	85.7	Confident	83.8	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-58.9	168	174.5	61.4	0	0	0	110.4	G624 D628 K629 L630 Y913 V959 F963	G624-L626 PolarHBondContact O-N 2.76Å; G624-L626 VanDerWaalsContact O-N 3.16Å; L626-D628 PolarHBondContact O-N 2.83Å; L626-K629 WeakPolarHBondContact O-CB 3.39Å; L626-K629 PolarHBondContact O-N 3.24Å; L626-K629 VanDerWaalsContact O-N 3.1Å; L626-L630 HydrophobicContact CD1-CD1 3.79Å; L626-L630 HydrophobicContact CD1-CG 4.1Å; L626-L630 HydrophobicContact CG-CD1 4.01Å; L626-L630 PolarHBondContact O-N 3.23Å; L626-Y913 HydrophobicContact CD2-CD1 4.43Å; L626-V959 HydrophobicContact CD1-CG1 3.93Å; L626-F963 HydrophobicContact CB-CD2 4.1Å; L626-F963 HydrophobicContact CB-CE2 4.46Å; L626-F963 HydrophobicContact CD1-CB 4.06Å; L626-F963 HydrophobicContact CD1-CD2 4.49Å; L626-F963 HydrophobicContact CD1-CG 4.18Å; L626-F963 HydrophobicContact CD2-CD1 4.1Å; L626-F963 HydrophobicContact CD2-CD2 3.94Å; L626-F963 HydrophobicContact CD2-CE1 4.07Å; L626-F963 HydrophobicContact CD2-CE2 3.88Å; L626-F963 HydrophobicContact CD2-CG 4.04Å; L626-F963 HydrophobicContact CD2-CZ 3.94Å; L626-F963 HydrophobicContact CG-CD2 4.4Å
627	F	88	Confident	83.9	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.009	22%	0.223	C	C	.	.	H	α-helix	trans	-68.9	-35.2	-174.2	-61.6	-49.6	0	0	0	113.8	G624 K629 L630 L631 I638 Y913 I933 R934 P935	G624-F627 PolarHBondContact O-N 3.06Å; G624-F627 VanDerWaalsContact O-N 3.1Å; F627-K629 PolarHBondContact O-N 3.05Å; F627-L630 HydrophobicContact CD1-CD1 4.32Å; F627-L630 PolarHBondContact O-N 2.72Å; F627-L631 VanDerWaalsContact O-CB 3.25Å; F627-L631 WeakPolarHBondContact O-CB 2.91Å; F627-L631 VanDerWaalsContact O-CG 3.27Å; F627-L631 WeakPolarHBondContact O-CG 3.39Å; F627-L631 PolarHBondContact O-N 2.91Å; F627-I638 HydrophobicContact CD1-CD1 4.49Å; F627-I638 HydrophobicContact CD1-CG1 4.35Å; F627-I638 HydrophobicContact CD1-CG2 4.18Å; F627-I638 HydrophobicContact CE1-CG2 4.11Å; F627-Y913 AromaticContact CE2-CD1 3.69Å; F627-Y913 HydrophobicContact CE2-CD1 3.69Å; F627-Y913 HydrophobicContact CE2-CD2 4.03Å; F627-Y913 HydrophobicContact CE2-CE1 4.29Å; F627-Y913 AromaticContact CE2-CG 3.55Å; F627-Y913 HydrophobicContact CE2-CG 3.55Å; F627-Y913 AromaticContact CZ-CD1 3.48Å; F627-Y913 HydrophobicContact CZ-CD1 3.48Å; F627-Y913 VanDerWaalsContact CZ-CD1 3.48Å; F627-Y913 HydrophobicContact CZ-CD2 4.34Å; F627-Y913 AromaticContact CZ-CE1 3.71Å; F627-Y913 HydrophobicContact CZ-CE1 3.71Å; F627-Y913 HydrophobicContact CZ-CE2 4.5Å; F627-Y913 AromaticContact CZ-CG 3.84Å; F627-Y913 HydrophobicContact CZ-CG 3.84Å; F627-I933 WeakPolarHBondContact CE2-O 3.47Å; F627-R934 HydrophobicContact CE2-CG 4.33Å; F627-R934 HydrophobicContact CZ-CB 4.4Å; F627-R934 HydrophobicContact CZ-CG 3.84Å; F627-P935 HydrophobicContact CB-CG 3.74Å; F627-P935 HydrophobicContact CD1-CG 4.25Å; F627-P935 HydrophobicContact CD2-CG 4.33Å; F627-P935 HydrophobicContact CG-CG 3.87Å
628	D	85.9	Confident	84.1	Confident	65 Å²	65	37.6 Å²	37.6	35%	0.348	20%	0.201	S	C	.	.	H	α-helix	trans	-53.3	-38.7	169.7	-77.5	-6.6	0	0	0	111.9	G624 L626 T632	G624-D628 WeakPolarHBondContact O-CB 3.23Å; G624-D628 PolarHBondContact O-N 3.27Å; L626-D628 PolarHBondContact O-N 2.83Å; D628-T632 WeakPolarHBondContact O-CB 3.15Å; D628-T632 WeakPolarHBondContact O-CG2 3.32Å; D628-T632 PolarHBondContact O-N 2.84Å; D628-T632 PolarHBondContact O-OG1 3.42Å
629	K	85.2	Confident	84	Confident	51 Å²	51	37.8 Å²	37.8	22%	0.222	20%	0.197	C	C	.	.	H	α-helix	trans	-77.4	-46.2	177.1	-77.2	173	171.7	161.9	0	111.9	H625 L626 F627 L631 T632 V633 V959	H625-K629 VanDerWaalsContact CE1-CE 3.46Å; H625-K629 WeakPolarHBondContact CE1-CE 3.4Å; H625-K629 WeakPolarHBondContact NE2-CE 3.39Å; H625-K629 PolarHBondContact NE2-NZ 2.73Å; H625-K629 WeakPolarHBondContact O-CG 3.5Å; L626-K629 WeakPolarHBondContact O-CB 3.39Å; L626-K629 PolarHBondContact O-N 3.24Å; L626-K629 VanDerWaalsContact O-N 3.1Å; F627-K629 PolarHBondContact O-N 3.05Å; K629-L631 PolarHBondContact O-N 3.16Å; K629-T632 WeakPolarHBondContact CA-OG1 3.4Å; K629-T632 CarbonylContact O-C 3.58Å; K629-T632 PolarHBondContact O-N 2.7Å; K629-T632 VanDerWaalsContact O-N 3.14Å; K629-T632 PolarHBondContact O-OG1 3.43Å; K629-T632 VanDerWaalsContact O-OG1 3.14Å; K629-V633 WeakPolarHBondContact O-CB 3.41Å; K629-V633 WeakPolarHBondContact O-CG2 3.48Å; K629-V633 PolarHBondContact O-N 3.37Å; K629-V959 HydrophobicContact CB-CG1 3.77Å; K629-V959 HydrophobicContact CB-CG2 4.26Å; K629-V959 HydrophobicContact CD-CG1 3.92Å; K629-V959 HydrophobicContact CD-CG2 4.38Å
630	L	85.9	Confident	83.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-42.6	-179.9	-66.1	180	0	0	0	111.1	L626 F627 T632 V633 C634 P635 R637 I638 L643 V959	L626-L630 HydrophobicContact CD1-CD1 3.79Å; L626-L630 HydrophobicContact CD1-CG 4.1Å; L626-L630 HydrophobicContact CG-CD1 4.01Å; L626-L630 PolarHBondContact O-N 3.23Å; F627-L630 HydrophobicContact CD1-CD1 4.32Å; F627-L630 PolarHBondContact O-N 2.72Å; L630-T632 PolarHBondContact O-N 2.99Å; L630-V633 CarbonylContact O-C 3.59Å; L630-V633 PolarHBondContact O-N 3.18Å; L630-C634 CarbonylContact O-C 3.58Å; L630-C634 WeakPolarHBondContact O-CA 3.49Å; L630-C634 PolarHBondContact O-N 2.87Å; L630-P635 VanDerWaalsContact O-N 3.08Å; L630-R637 HydrophobicContact CD2-CB 4.3Å; L630-R637 HydrophobicContact CD2-CG 4.18Å; L630-I638 HydrophobicContact CB-CD1 3.82Å; L630-I638 HydrophobicContact CB-CG1 3.59Å; L630-I638 HydrophobicContact CD1-CG1 3.96Å; L630-I638 HydrophobicContact CG-CG1 4.43Å; L630-L643 HydrophobicContact CD1-CD2 3.84Å; L630-V959 HydrophobicContact CD2-CB 4.21Å; L630-V959 HydrophobicContact CD2-CG1 3.81Å; L630-V959 HydrophobicContact CG-CG1 4.14Å
631	L	85.7	Confident	83.7	Confident	38 Å²	38	41.9 Å²	41.9	20%	0.199	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.7	174	-69	170.9	0	0	0	113.7	F627 K629 I638 P935 I940 A943	F627-L631 VanDerWaalsContact O-CB 3.25Å; F627-L631 WeakPolarHBondContact O-CB 2.91Å; F627-L631 VanDerWaalsContact O-CG 3.27Å; F627-L631 WeakPolarHBondContact O-CG 3.39Å; F627-L631 PolarHBondContact O-N 2.91Å; K629-L631 PolarHBondContact O-N 3.16Å; L631-I638 HydrophobicContact CD2-CD1 3.48Å; L631-I638 VanDerWaalsContact CD2-CD1 3.48Å; L631-I638 HydrophobicContact CG-CD1 3.66Å; L631-P935 HydrophobicContact CD1-CB 4.22Å; L631-P935 HydrophobicContact CD1-CG 3.87Å; L631-P935 HydrophobicContact CD2-CB 4.34Å; L631-P935 HydrophobicContact CD2-CG 4.47Å; L631-P935 HydrophobicContact CG-CG 4.33Å; L631-I940 HydrophobicContact CD2-CG1 4.2Å; L631-A943 HydrophobicContact CB-CB 4.29Å; L631-A943 HydrophobicContact CD2-CB 3.83Å
632	T	83.6	Confident	83.6	Confident	108 Å²	108	41.1 Å²	41.1	66%	0.663	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-9.7	176.6	51	0	0	0	0	114.3	D628 K629 L630	D628-T632 WeakPolarHBondContact O-CB 3.15Å; D628-T632 WeakPolarHBondContact O-CG2 3.32Å; D628-T632 PolarHBondContact O-N 2.84Å; D628-T632 PolarHBondContact O-OG1 3.42Å; K629-T632 WeakPolarHBondContact CA-OG1 3.4Å; K629-T632 CarbonylContact O-C 3.58Å; K629-T632 PolarHBondContact O-N 2.7Å; K629-T632 VanDerWaalsContact O-N 3.14Å; K629-T632 PolarHBondContact O-OG1 3.43Å; K629-T632 VanDerWaalsContact O-OG1 3.14Å; L630-T632 PolarHBondContact O-N 2.99Å
633	V	81.4	Confident	83.9	Confident	16 Å²	16	38.8 Å²	38.8	10%	0.097	22%	0.215	C	C	.	.	S	Bend	trans	-119.8	-73.5	-178.8	-178.9	0	0	0	0	110.5	K629 L630 L953 I954	K629-V633 WeakPolarHBondContact O-CB 3.41Å; K629-V633 WeakPolarHBondContact O-CG2 3.48Å; K629-V633 PolarHBondContact O-N 3.37Å; L630-V633 CarbonylContact O-C 3.59Å; L630-V633 PolarHBondContact O-N 3.18Å; V633-L953 HydrophobicContact CG1-CD2 3.99Å; V633-L953 WeakPolarHBondContact O-CD2 3.27Å; V633-I954 HydrophobicContact CG1-CB 4.23Å; V633-I954 VanDerWaalsContact CG1-O 3.23Å; V633-I954 WeakPolarHBondContact CG1-O 3.41Å; V633-I954 HydrophobicContact CG2-CB 4.44Å; V633-I954 HydrophobicContact CG2-CD1 4.41Å
634	C	83.5	Confident	84.7	Confident	32 Å²	32	35 Å²	35	22%	0.216	19%	0.193	C	C	.	.			trans	-126.4	80.9	-177.8	-69.7	0	0	0	0	111.8	L630 A636 R637	L630-C634 CarbonylContact O-C 3.58Å; L630-C634 WeakPolarHBondContact O-CA 3.49Å; L630-C634 PolarHBondContact O-N 2.87Å; C634-A636 PolarHBondContact O-N 2.8Å; C634-R637 HydrophobicContact CB-CB 4.06Å; C634-R637 VanDerWaalsContact O-CB 3.26Å; C634-R637 WeakPolarHBondContact O-CB 3.31Å; C634-R637 PolarHBondContact O-N 2.94Å
635	P	83.4	Confident	85.4	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.013	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-56.7	-35.8	-179.1	-26.3	34	0	0	0	113.1	L630 R637 I638 I940 A943 I947	L630-P635 VanDerWaalsContact O-N 3.08Å; P635-R637 PolarHBondContact O-N 3.16Å; P635-I638 WeakPolarHBondContact O-CB 3.27Å; P635-I638 WeakPolarHBondContact O-CG1 3.39Å; P635-I638 PolarHBondContact O-N 2.86Å; P635-I638 VanDerWaalsContact O-N 3.14Å; P635-I940 HydrophobicContact CB-CG2 3.94Å; P635-A943 HydrophobicContact CB-CB 4.11Å; P635-A943 HydrophobicContact CG-CB 3.81Å; P635-I947 HydrophobicContact CG-CD1 3.65Å
636	A	80.9	Confident	85.8	Confident	56 Å²	56	33.6 Å²	33.6	46%	0.463	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-62.5	-24.4	177.6	0	0	0	0	0	113.9	C634 I638	C634-A636 PolarHBondContact O-N 2.8Å; A636-I638 PolarHBondContact O-N 3.46Å
637	R	85.3	Confident	86.1	Confident	39 Å²	39	33.8 Å²	33.8	15%	0.147	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-61.8	-28.3	175.7	-170.8	81.6	165	167.8	0.1	111.5	L630 C634 P635 R639 S640 L643 D804 S956 D960	L630-R637 HydrophobicContact CD2-CB 4.3Å; L630-R637 HydrophobicContact CD2-CG 4.18Å; C634-R637 HydrophobicContact CB-CB 4.06Å; C634-R637 VanDerWaalsContact O-CB 3.26Å; C634-R637 WeakPolarHBondContact O-CB 3.31Å; C634-R637 PolarHBondContact O-N 2.94Å; P635-R637 PolarHBondContact O-N 3.16Å; R637-R639 VanDerWaalsContact C-N 3.34Å; R637-R639 PolarHBondContact O-N 3.41Å; R637-S640 VanDerWaalsContact O-CB 3.29Å; R637-S640 WeakPolarHBondContact O-CB 3.48Å; R637-S640 PolarHBondContact O-N 2.91Å; R637-L643 HydrophobicContact CG-CD2 4.23Å; R637-L643 WeakPolarHBondContact O-CB 3.34Å; R637-L643 VanDerWaalsContact O-CD2 3.24Å; R637-L643 WeakPolarHBondContact O-CD2 3.3Å; R637-D804 IonicContact CZ-OD1 3.08Å; R637-D804 IonicContact CZ-OD2 3.42Å; R637-D804 IonicContact NH1-OD2 2.73Å; R637-D804 PolarHBondContact NH1-OD2 2.82Å; R637-D804 VanDerWaalsContact NH2-CG 3.3Å; R637-D804 IonicContact NH2-OD1 2.68Å; R637-D804 PolarHBondContact NH2-OD1 3.28Å; R637-D804 IonicContact NH2-OD2 3.73Å; R637-D804 PolarHBondContact NH2-OD2 3.46Å; R637-S956 WeakPolarHBondContact CD-OG 3.46Å; R637-S956 WeakPolarHBondContact CG-OG 3.41Å; R637-S956 PolarHBondContact NE-OG 3Å; R637-D960 IonicContact CZ-OD2 3.19Å; R637-D960 IonicContact NE-OD2 2.74Å; R637-D960 PolarHBondContact NE-OD2 2.86Å; R637-D960 IonicContact NH2-OD2 3.7Å; R637-D960 PolarHBondContact NH2-OD2 2.68Å
638	I	85.1	Confident	86.4	Confident	13 Å²	13	33.7 Å²	33.7	7%	0.067	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-65.2	-33.5	-171.9	-59.8	171.5	0	0	0	112.6	F627 L630 L631 P635 A636 P935 I940	F627-I638 HydrophobicContact CD1-CD1 4.49Å; F627-I638 HydrophobicContact CD1-CG1 4.35Å; F627-I638 HydrophobicContact CD1-CG2 4.18Å; F627-I638 HydrophobicContact CE1-CG2 4.11Å; L630-I638 HydrophobicContact CB-CD1 3.82Å; L630-I638 HydrophobicContact CB-CG1 3.59Å; L630-I638 HydrophobicContact CD1-CG1 3.96Å; L630-I638 HydrophobicContact CG-CG1 4.43Å; L631-I638 HydrophobicContact CD2-CD1 3.48Å; L631-I638 VanDerWaalsContact CD2-CD1 3.48Å; L631-I638 HydrophobicContact CG-CD1 3.66Å; P635-I638 WeakPolarHBondContact O-CB 3.27Å; P635-I638 WeakPolarHBondContact O-CG1 3.39Å; P635-I638 PolarHBondContact O-N 2.86Å; P635-I638 VanDerWaalsContact O-N 3.14Å; A636-I638 PolarHBondContact O-N 3.46Å; I638-P935 HydrophobicContact CD1-CG 4.47Å; I638-I940 HydrophobicContact CB-CD1 3.94Å; I638-I940 HydrophobicContact CD1-CG1 4.34Å; I638-I940 HydrophobicContact CG2-CD1 3.73Å; I638-I940 HydrophobicContact CG2-CG1 4.5Å
639	R	82.4	Confident	86.7	Confident	115 Å²	115	30.6 Å²	30.6	43%	0.434	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-100.5	10	173.5	-48.3	-167.1	90.8	-168.4	10.5	113.4	R637 K641 D889 I940	R637-R639 VanDerWaalsContact C-N 3.34Å; R637-R639 PolarHBondContact O-N 3.41Å; R639-K641 PolarHBondContact O-N 2.79Å; R639-D889 VanDerWaalsContact CZ-CG 3.43Å; R639-D889 IonicContact CZ-OD1 3.74Å; R639-D889 IonicContact CZ-OD2 2.74Å; R639-D889 IonicContact NE-OD1 2.99Å; R639-D889 PolarHBondContact NE-OD1 3.06Å; R639-D889 IonicContact NH1-OD1 2.69Å; R639-D889 IonicContact NH1-OD2 3.88Å; R639-D889 PolarHBondContact NH1-OD2 2.89Å; R639-D889 IonicContact NH2-OD1 3.2Å; R639-D889 PolarHBondContact NH2-OD1 2.72Å; R639-D889 IonicContact NH2-OD2 2.67Å; R639-D889 PolarHBondContact NH2-OD2 3.3Å; R639-I940 HydrophobicContact CG-CD1 3.67Å
640	S	85.1	Confident	87.1	Confident	44 Å²	44	28.2 Å²	28.2	31%	0.308	16%	0.159	S	C	.	.			trans	-75	128.6	-176.7	-178.1	0	0	0	0	111	R637 A642 L643 A644	R637-S640 VanDerWaalsContact O-CB 3.29Å; R637-S640 WeakPolarHBondContact O-CB 3.48Å; R637-S640 PolarHBondContact O-N 2.91Å; S640-A642 PolarHBondContact O-N 3.24Å; S640-A642 VanDerWaalsContact O-N 3.15Å; S640-L643 WeakPolarHBondContact O-CA 3.34Å; S640-L643 WeakPolarHBondContact O-CB 3.41Å; S640-L643 PolarHBondContact O-N 2.72Å; S640-A644 PolarHBondContact O-N 2.79Å; S640-A644 VanDerWaalsContact O-N 3.08Å
641	K	86.7	Confident	87.4	Confident	55 Å²	55	28.2 Å²	28.2	24%	0.239	16%	0.159	C	C	.	.	H	α-helix	trans	-51.1	-36.3	175.1	-162.6	173	-166.5	170.8	0	113	R639 L643 A644 R645 D832 D890 L893	R639-K641 PolarHBondContact O-N 2.79Å; K641-L643 PolarHBondContact O-N 3.12Å; K641-A644 PolarHBondContact O-N 3.5Å; K641-R645 VanDerWaalsContact CE-NH2 3.25Å; K641-R645 WeakPolarHBondContact O-CB 3.37Å; K641-R645 WeakPolarHBondContact O-CG 3.43Å; K641-R645 PolarHBondContact O-N 3.11Å; K641-D832 WeakPolarHBondContact CD-OD1 3.48Å; K641-D832 VanDerWaalsContact CE-OD1 3.23Å; K641-D832 WeakPolarHBondContact CE-OD1 3.44Å; K641-D832 IonicContact NZ-OD1 3.7Å; K641-D832 PolarHBondContact NZ-OD1 3.32Å; K641-D890 WeakPolarHBondContact CE-OD1 3.48Å; K641-D890 WeakPolarHBondContact CE-OD2 3.42Å; K641-D890 VanDerWaalsContact NZ-CG 3.29Å; K641-D890 IonicContact NZ-OD1 3.76Å; K641-D890 PolarHBondContact NZ-OD1 3.25Å; K641-D890 IonicContact NZ-OD2 2.9Å; K641-D890 PolarHBondContact NZ-OD2 2.9Å; K641-L893 HydrophobicContact CG-CD2 3.84Å
642	A	86.9	Confident	87.8	Confident	34 Å²	34	26.4 Å²	26.4	28%	0.281	15%	0.15	S	C	.	.	H	α-helix	trans	-61.4	-40	174	0	0	0	0	0	113.1	S640 R646	S640-A642 PolarHBondContact O-N 3.24Å; S640-A642 VanDerWaalsContact O-N 3.15Å; A642-R646 VanDerWaalsContact O-CB 3.25Å; A642-R646 WeakPolarHBondContact O-CB 3.4Å; A642-R646 PolarHBondContact O-N 2.91Å
643	L	88.7	Confident	88.1	Confident	2 Å²	2	23 Å²	23	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-71.1	-39.7	175.5	-173.8	69.8	0	0	0	111.1	L630 R637 S640 K641 R646 H647	L630-L643 HydrophobicContact CD1-CD2 3.84Å; R637-L643 HydrophobicContact CG-CD2 4.23Å; R637-L643 WeakPolarHBondContact O-CB 3.34Å; R637-L643 VanDerWaalsContact O-CD2 3.24Å; R637-L643 WeakPolarHBondContact O-CD2 3.3Å; S640-L643 WeakPolarHBondContact O-CA 3.34Å; S640-L643 WeakPolarHBondContact O-CB 3.41Å; S640-L643 PolarHBondContact O-N 2.72Å; K641-L643 PolarHBondContact O-N 3.12Å; L643-R646 PolarHBondContact O-N 2.8Å; L643-H647 WeakPolarHBondContact O-CB 3.49Å; L643-H647 VanDerWaalsContact O-CG 3.24Å; L643-H647 PolarHBondContact O-N 3.06Å; L643-H647 PolarHBondContact O-ND1 2.92Å
644	A	90	Very high	88.6	Confident	12 Å²	12	22.4 Å²	22.4	10%	0.099	12%	0.121	C	C	.	.	H	α-helix	trans	-62	-49.5	176.5	0	0	0	0	0	111.9	S640 K641 R646 H647 L648 L893 L894	S640-A644 PolarHBondContact O-N 2.79Å; S640-A644 VanDerWaalsContact O-N 3.08Å; K641-A644 PolarHBondContact O-N 3.5Å; A644-R646 PolarHBondContact O-N 2.71Å; A644-H647 PolarHBondContact O-N 2.89Å; A644-L648 PolarHBondContact O-N 3.01Å; A644-L893 HydrophobicContact CB-CD2 3.77Å; A644-L893 HydrophobicContact CB-CG 4.17Å; A644-L894 HydrophobicContact CB-CD2 4.21Å
645	R	91.4	Very high	89	Confident	12 Å²	12	20.9 Å²	20.9	5%	0.045	11%	0.111	C	C	.	.	H	α-helix	trans	-58.6	-43.4	173.9	-74.1	-179	172.3	142.4	-1	112.8	K641 H647 L648 V649 Y829 L830 V831 D832 L893	K641-R645 VanDerWaalsContact CE-NH2 3.25Å; K641-R645 WeakPolarHBondContact O-CB 3.37Å; K641-R645 WeakPolarHBondContact O-CG 3.43Å; K641-R645 PolarHBondContact O-N 3.11Å; R645-H647 VanDerWaalsContact C-N 3.33Å; R645-H647 PolarHBondContact O-N 3.02Å; R645-L648 WeakPolarHBondContact O-CB 3.4Å; R645-L648 PolarHBondContact O-N 3.18Å; R645-V649 WeakPolarHBondContact O-CG2 3.44Å; R645-V649 PolarHBondContact O-N 2.98Å; R645-V649 VanDerWaalsContact O-N 3.11Å; R645-Y829 PolarHBondContact NE-O 2.88Å; R645-L830 HydrophobicContact CB-CD2 3.95Å; R645-L830 HydrophobicContact CG-CD2 4.02Å; R645-L830 VanDerWaalsContact CZ-O 3.29Å; R645-L830 PolarHBondContact NE-O 3.4Å; R645-L830 PolarHBondContact NH2-O 3.18Å; R645-V831 PolarHBondContact NH2-O 3.46Å; R645-D832 IonicContact CZ-OD1 3.44Å; R645-D832 IonicContact CZ-OD2 3.38Å; R645-D832 IonicContact NH1-OD1 2.76Å; R645-D832 PolarHBondContact NH1-OD1 2.87Å; R645-D832 IonicContact NH1-OD2 3.76Å; R645-D832 PolarHBondContact NH1-OD2 3.22Å; R645-D832 IonicContact NH2-OD1 2.64Å; R645-D832 PolarHBondContact NH2-OD1 3.44Å; R645-D832 IonicContact NH2-OD2 3.4Å; R645-D832 PolarHBondContact NH2-OD2 2.86Å; R645-L893 HydrophobicContact CG-CD1 4.39Å; R645-L893 HydrophobicContact CG-CD2 4.02Å
646	R	91	Very high	89.4	Confident	6 Å²	6	22 Å²	22	2%	0.023	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-40.9	176	-175.4	173.7	-174.1	172.6	-9.3	111.8	A642 L643 A644 I650 D801 P802 G803 D804 D960 H961	A642-R646 VanDerWaalsContact O-CB 3.25Å; A642-R646 WeakPolarHBondContact O-CB 3.4Å; A642-R646 PolarHBondContact O-N 2.91Å; L643-R646 PolarHBondContact O-N 2.8Å; A644-R646 PolarHBondContact O-N 2.71Å; R646-I650 HydrophobicContact CG-CD1 3.99Å; R646-I650 WeakPolarHBondContact O-CB 3.36Å; R646-I650 WeakPolarHBondContact O-CD1 3.37Å; R646-I650 WeakPolarHBondContact O-CG1 3.48Å; R646-I650 PolarHBondContact O-N 3.04Å; R646-D801 IonicContact CZ-OD1 2.76Å; R646-D801 VanDerWaalsContact CZ-OD1 3.24Å; R646-D801 IonicContact CZ-OD2 3.69Å; R646-D801 IonicContact NE-OD1 3.83Å; R646-D801 PolarHBondContact NE-OD1 3.48Å; R646-D801 VanDerWaalsContact NH2-CG 3.29Å; R646-D801 IonicContact NH2-OD1 2.7Å; R646-D801 PolarHBondContact NH2-OD1 2.74Å; R646-D801 IonicContact NH2-OD2 3.41Å; R646-D801 PolarHBondContact NH2-OD2 2.84Å; R646-P802 HydrophobicContact CG-CG 4.19Å; R646-G803 VanDerWaalsContact CD-O 3.24Å; R646-G803 WeakPolarHBondContact CD-O 3.39Å; R646-G803 WeakPolarHBondContact CG-O 3.32Å; R646-D804 IonicContact CZ-OD1 2.67Å; R646-D804 IonicContact NH1-OD1 2.69Å; R646-D804 PolarHBondContact NH1-OD1 3.14Å; R646-D960 IonicContact NH1-OD2 2.75Å; R646-H961 PolarHBondContact NH2-CE1 3.45Å; R646-H961 PolarHBondContact NH2-ND1 3.08Å
647	H	92.6	Very high	89.8	Confident	7 Å²	7	20.6 Å²	20.6	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-66.3	-39.2	173.4	-70	162.5	0	0	0	112.7	L643 A644 R645 I650 A651 L897 F912 Y913 F963	L643-H647 WeakPolarHBondContact O-CB 3.49Å; L643-H647 VanDerWaalsContact O-CG 3.24Å; L643-H647 PolarHBondContact O-N 3.06Å; L643-H647 PolarHBondContact O-ND1 2.92Å; A644-H647 PolarHBondContact O-N 2.89Å; R645-H647 VanDerWaalsContact C-N 3.33Å; R645-H647 PolarHBondContact O-N 3.02Å; H647-I650 PolarHBondContact O-N 3.21Å; H647-A651 VanDerWaalsContact O-CB 3.29Å; H647-A651 WeakPolarHBondContact O-CB 3.33Å; H647-A651 PolarHBondContact O-N 3.46Å; H647-L897 HydrophobicContact CB-CD1 3.96Å; H647-L897 HydrophobicContact CB-CD2 3.98Å; H647-F912 HydrophobicContact CB-CE1 3.86Å; H647-F912 HydrophobicContact CB-CZ 3.87Å; H647-F912 AromaticContact CG-CE1 3.84Å; H647-Y913 AromaticContact ND1-CE1 3.9Å; H647-F963 AromaticContact CD2-CE1 3.61Å; H647-F963 AromaticContact NE2-CD1 3.9Å; H647-F963 AromaticContact NE2-CE1 3.48Å; H647-F963 WeakPolarHBondContact NE2-CE1 3.34Å
648	L	93.4	Very high	89.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.3	-52	177	-171.3	80.7	0	0	0	111.6	A644 R645 I650 A651 A652 L826 L893 V896 L897 L900	A644-L648 PolarHBondContact O-N 3.01Å; R645-L648 WeakPolarHBondContact O-CB 3.4Å; R645-L648 PolarHBondContact O-N 3.18Å; L648-I650 PolarHBondContact O-N 3.15Å; L648-A651 PolarHBondContact O-N 3.26Å; L648-A652 WeakPolarHBondContact O-CB 3.22Å; L648-A652 PolarHBondContact O-N 2.96Å; L648-L826 HydrophobicContact CD1-CD2 4.49Å; L648-L893 HydrophobicContact CD1-CD1 4.49Å; L648-L893 HydrophobicContact CD2-CD1 3.98Å; L648-V896 HydrophobicContact CD1-CG1 3.96Å; L648-L897 HydrophobicContact CD1-CB 4.24Å; L648-L900 HydrophobicContact CD1-CD1 3.81Å; L648-L900 HydrophobicContact CG-CD1 4.49Å
649	V	93.1	Very high	90.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.8	-43.4	179.3	177.4	0	0	0	0	111.5	R645 R653 P802 A809 I812 L813 L830	R645-V649 WeakPolarHBondContact O-CG2 3.44Å; R645-V649 PolarHBondContact O-N 2.98Å; R645-V649 VanDerWaalsContact O-N 3.11Å; V649-R653 WeakPolarHBondContact O-CB 3.45Å; V649-R653 PolarHBondContact O-N 3.37Å; V649-P802 HydrophobicContact CB-CG 4.04Å; V649-P802 HydrophobicContact CG1-CB 4.45Å; V649-P802 HydrophobicContact CG1-CG 3.91Å; V649-P802 HydrophobicContact CG2-CG 4.39Å; V649-A809 HydrophobicContact CG2-CB 3.54Å; V649-I812 HydrophobicContact CG1-CB 3.86Å; V649-I812 HydrophobicContact CG1-CD1 4.17Å; V649-I812 HydrophobicContact CG1-CG2 3.61Å; V649-L813 HydrophobicContact CG2-CD1 4.38Å; V649-L813 HydrophobicContact CG2-CG 4.31Å; V649-L830 HydrophobicContact CG2-CD1 4.48Å; V649-L830 HydrophobicContact CG2-CD2 4.02Å
650	I	92.4	Very high	90.4	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-65.5	-44.6	178.6	-68.5	169.6	0	0	0	110.1	R646 H647 L648 R653 I654 I800 F912 A964 I967	R646-I650 HydrophobicContact CG-CD1 3.99Å; R646-I650 WeakPolarHBondContact O-CB 3.36Å; R646-I650 WeakPolarHBondContact O-CD1 3.37Å; R646-I650 WeakPolarHBondContact O-CG1 3.48Å; R646-I650 PolarHBondContact O-N 3.04Å; H647-I650 PolarHBondContact O-N 3.21Å; L648-I650 PolarHBondContact O-N 3.15Å; I650-R653 PolarHBondContact O-N 2.81Å; I650-I654 HydrophobicContact CG2-CD1 4.09Å; I650-I654 WeakPolarHBondContact O-CG1 3.38Å; I650-I654 PolarHBondContact O-N 2.72Å; I650-I800 HydrophobicContact CG1-CG2 4.47Å; I650-I800 HydrophobicContact CG2-CG2 4.26Å; I650-F912 HydrophobicContact CG2-CE2 4.14Å; I650-F912 HydrophobicContact CG2-CZ 4.42Å; I650-A964 HydrophobicContact CD1-CB 3.98Å; I650-I967 HydrophobicContact CG2-CB 4.48Å; I650-I967 HydrophobicContact CG2-CD1 3.65Å; I650-I967 HydrophobicContact CG2-CG2 3.79Å
651	A	93.4	Very high	90.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.5	-50.7	176.8	0	0	0	0	0	111.8	H647 L648 R653 I654 I655 L897 L900 L904 F912	H647-A651 VanDerWaalsContact O-CB 3.29Å; H647-A651 WeakPolarHBondContact O-CB 3.33Å; H647-A651 PolarHBondContact O-N 3.46Å; L648-A651 PolarHBondContact O-N 3.26Å; A651-R653 VanDerWaalsContact C-N 3.29Å; A651-R653 PolarHBondContact O-N 3.41Å; A651-I654 PolarHBondContact O-N 3.36Å; A651-I654 VanDerWaalsContact O-N 3.17Å; A651-I655 VanDerWaalsContact O-CG1 3.32Å; A651-I655 WeakPolarHBondContact O-CG1 3.44Å; A651-I655 PolarHBondContact O-N 3.29Å; A651-L897 HydrophobicContact CB-CD1 4.45Å; A651-L900 HydrophobicContact CB-CB 4.26Å; A651-L900 HydrophobicContact CB-CD1 4.33Å; A651-L904 HydrophobicContact CB-CD1 4.14Å; A651-F912 HydrophobicContact CB-CD2 4.36Å; A651-F912 HydrophobicContact CB-CE2 3.82Å; A651-F912 HydrophobicContact CB-CZ 4.31Å
652	A	93.7	Very high	90.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.5	-42.5	177	0	0	0	0	0	112.4	L648 I655 H656 L813 I816 L823 L826 L900	L648-A652 WeakPolarHBondContact O-CB 3.22Å; L648-A652 PolarHBondContact O-N 2.96Å; A652-I655 PolarHBondContact O-N 3.46Å; A652-H656 PolarHBondContact O-N 3.36Å; A652-L813 HydrophobicContact CB-CD2 3.67Å; A652-I816 HydrophobicContact CB-CD1 4.14Å; A652-L823 HydrophobicContact CB-CD2 3.88Å; A652-L826 HydrophobicContact CB-CD1 3.6Å; A652-L900 HydrophobicContact CB-CD1 4.47Å
653	R	90.8	Very high	90.1	Very high	36 Å²	36	18.8 Å²	18.8	14%	0.136	10%	0.099	C	C	.	.	H	α-helix	trans	-70	-38.8	177.9	-174.4	52	176.3	-123.6	-6.6	113.1	V649 I650 A651 I655 D657 S797 I800 I812 S815	V649-R653 WeakPolarHBondContact O-CB 3.45Å; V649-R653 PolarHBondContact O-N 3.37Å; I650-R653 PolarHBondContact O-N 2.81Å; A651-R653 VanDerWaalsContact C-N 3.29Å; A651-R653 PolarHBondContact O-N 3.41Å; R653-I655 VanDerWaalsContact C-N 3.32Å; R653-I655 PolarHBondContact O-N 2.85Å; R653-D657 IonicContact CZ-OD1 2.72Å; R653-D657 IonicContact NE-OD1 3.93Å; R653-D657 PolarHBondContact NE-OD1 3.02Å; R653-D657 VanDerWaalsContact NE-OD1 3.1Å; R653-D657 IonicContact NE-OD2 2.87Å; R653-D657 PolarHBondContact NE-OD2 3.42Å; R653-D657 WeakPolarHBondContact O-CB 3.11Å; R653-D657 VanDerWaalsContact O-CG 3.28Å; R653-D657 PolarHBondContact O-N 3.29Å; R653-S797 PolarHBondContact NH2-O 2.96Å; R653-I800 HydrophobicContact CG-CG1 4.4Å; R653-I800 HydrophobicContact CG-CG2 4.42Å; R653-I812 HydrophobicContact CB-CG2 4.35Å; R653-S815 PolarHBondContact NH1-OG 3.21Å
654	I	91	Very high	89.7	Confident	4 Å²	4	20.2 Å²	20.2	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-58.5	-47.9	172.5	-61.3	158.9	0	0	0	109.7	I650 A651 D657 F658 L904 F912 I967	I650-I654 HydrophobicContact CG2-CD1 4.09Å; I650-I654 WeakPolarHBondContact O-CG1 3.38Å; I650-I654 PolarHBondContact O-N 2.72Å; A651-I654 PolarHBondContact O-N 3.36Å; A651-I654 VanDerWaalsContact O-N 3.17Å; I654-D657 PolarHBondContact O-N 3.16Å; I654-F658 HydrophobicContact CG2-CD2 3.51Å; I654-F658 HydrophobicContact CG2-CE2 3.4Å; I654-F658 VanDerWaalsContact CG2-CE2 3.4Å; I654-F658 HydrophobicContact CG2-CG 4.27Å; I654-F658 HydrophobicContact CG2-CZ 4.09Å; I654-F658 WeakPolarHBondContact O-CB 3.5Å; I654-F658 VanDerWaalsContact O-CD2 3.22Å; I654-F658 WeakPolarHBondContact O-CD2 3.39Å; I654-F658 PolarHBondContact O-N 2.88Å; I654-L904 HydrophobicContact CB-CD2 4.14Å; I654-L904 HydrophobicContact CD1-CD1 4.43Å; I654-L904 HydrophobicContact CG2-CD2 3.51Å; I654-F912 HydrophobicContact CD1-CD2 3.97Å; I654-F912 HydrophobicContact CD1-CE2 3.88Å; I654-I967 HydrophobicContact CD1-CD1 4.2Å; I654-I967 HydrophobicContact CD1-CG1 4.42Å; I654-I967 HydrophobicContact CD1-CG2 3.49Å; I654-I967 VanDerWaalsContact CD1-CG2 3.49Å; I654-I967 HydrophobicContact CG1-CG2 3.64Å
655	I	92.7	Very high	89.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.6	-50.6	-177.5	-66.4	165.9	0	0	0	110.3	A651 A652 R653 D657 F658 D659 L823 L900 Y903 L904	A651-I655 VanDerWaalsContact O-CG1 3.32Å; A651-I655 WeakPolarHBondContact O-CG1 3.44Å; A651-I655 PolarHBondContact O-N 3.29Å; A652-I655 PolarHBondContact O-N 3.46Å; R653-I655 VanDerWaalsContact C-N 3.32Å; R653-I655 PolarHBondContact O-N 2.85Å; I655-D657 VanDerWaalsContact C-N 3.34Å; I655-D657 PolarHBondContact O-N 2.92Å; I655-F658 PolarHBondContact O-N 3.03Å; I655-D659 WeakPolarHBondContact CG2-OD2 3.29Å; I655-D659 VanDerWaalsContact O-CB 3.31Å; I655-D659 WeakPolarHBondContact O-CB 3.26Å; I655-D659 PolarHBondContact O-N 3.07Å; I655-L823 HydrophobicContact CB-CD1 4.46Å; I655-L823 HydrophobicContact CB-CD2 4.2Å; I655-L823 HydrophobicContact CD1-CD2 4.43Å; I655-L823 HydrophobicContact CG2-CD1 3.96Å; I655-L823 HydrophobicContact CG2-CD2 4.17Å; I655-L823 HydrophobicContact CG2-CG 4.33Å; I655-L900 HydrophobicContact CD1-CB 3.91Å; I655-L900 HydrophobicContact CD1-CD2 3.73Å; I655-L900 HydrophobicContact CD1-CG 4.3Å; I655-Y903 HydrophobicContact CD1-CD1 4.15Å; I655-Y903 HydrophobicContact CG1-CD1 4.08Å; I655-Y903 HydrophobicContact CG2-CD1 3.88Å; I655-Y903 HydrophobicContact CG2-CE1 3.65Å; I655-L904 HydrophobicContact CD1-CD1 4.3Å; I655-L904 HydrophobicContact CD1-CG 4.07Å; I655-L904 HydrophobicContact CG1-CD1 4.11Å; I655-L904 HydrophobicContact CG1-CD2 3.75Å; I655-L904 HydrophobicContact CG1-CG 3.64Å
656	H	91	Very high	88.3	Confident	25 Å²	25	25.8 Å²	25.8	12%	0.116	14%	0.137	C	C	.	.	H	α-helix	trans	-52.3	-49.5	173.8	164.4	-91.7	0	0	0	112.8	A652 F658 K660 I816 L823	A652-H656 PolarHBondContact O-N 3.36Å; H656-F658 VanDerWaalsContact C-N 3.31Å; H656-F658 PolarHBondContact O-N 2.87Å; H656-K660 WeakPolarHBondContact O-CB 3.23Å; H656-K660 PolarHBondContact O-N 3.06Å; H656-I816 HydrophobicContact CB-CD1 4.34Å; H656-I816 HydrophobicContact CB-CG1 4.22Å; H656-I816 HydrophobicContact CB-CG2 3.97Å; H656-L823 HydrophobicContact CB-CD1 4.38Å
657	D	88.2	Confident	86.5	Confident	28 Å²	28	30 Å²	30	15%	0.15	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-30.5	-176.2	-66.1	-15.1	0	0	0	111.6	R653 I654 I655 A661 V971	R653-D657 IonicContact CZ-OD1 2.72Å; R653-D657 IonicContact NE-OD1 3.93Å; R653-D657 PolarHBondContact NE-OD1 3.02Å; R653-D657 VanDerWaalsContact NE-OD1 3.1Å; R653-D657 IonicContact NE-OD2 2.87Å; R653-D657 PolarHBondContact NE-OD2 3.42Å; R653-D657 WeakPolarHBondContact O-CB 3.11Å; R653-D657 VanDerWaalsContact O-CG 3.28Å; R653-D657 PolarHBondContact O-N 3.29Å; I654-D657 PolarHBondContact O-N 3.16Å; I655-D657 VanDerWaalsContact C-N 3.34Å; I655-D657 PolarHBondContact O-N 2.92Å; D657-A661 VanDerWaalsContact O-CB 3.29Å; D657-A661 WeakPolarHBondContact O-CB 3.19Å; D657-A661 PolarHBondContact O-N 3.4Å; D657-A661 VanDerWaalsContact O-N 3.15Å; D657-V971 HydrophobicContact CB-CG1 3.84Å
658	F	89	Confident	84.3	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-78.4	-46.1	175.7	-88.6	-124.2	0	0	0	113.3	I654 I655 H656 K660 A661 R662 H908 V910 V971 I974	I654-F658 HydrophobicContact CG2-CD2 3.51Å; I654-F658 HydrophobicContact CG2-CE2 3.4Å; I654-F658 VanDerWaalsContact CG2-CE2 3.4Å; I654-F658 HydrophobicContact CG2-CG 4.27Å; I654-F658 HydrophobicContact CG2-CZ 4.09Å; I654-F658 WeakPolarHBondContact O-CB 3.5Å; I654-F658 VanDerWaalsContact O-CD2 3.22Å; I654-F658 WeakPolarHBondContact O-CD2 3.39Å; I654-F658 PolarHBondContact O-N 2.88Å; I655-F658 PolarHBondContact O-N 3.03Å; H656-F658 VanDerWaalsContact C-N 3.31Å; H656-F658 PolarHBondContact O-N 2.87Å; F658-K660 VanDerWaalsContact C-N 3.26Å; F658-K660 PolarHBondContact O-N 3.42Å; F658-A661 PolarHBondContact O-N 2.99Å; F658-A661 VanDerWaalsContact O-N 3.14Å; F658-R662 WeakPolarHBondContact O-CB 3.2Å; F658-R662 WeakPolarHBondContact O-CG 3.14Å; F658-R662 PolarHBondContact O-N 3.26Å; F658-H908 WeakPolarHBondContact CB-NE2 3.26Å; F658-H908 HydrophobicContact CD1-CB 3.74Å; F658-H908 AromaticContact CD1-CD2 3.94Å; F658-H908 AromaticContact CD1-CG 3.66Å; F658-H908 HydrophobicContact CE1-CB 4.1Å; F658-V910 HydrophobicContact CD1-CG2 4.22Å; F658-V910 HydrophobicContact CE1-CG2 3.24Å; F658-V910 HydrophobicContact CZ-CG2 3.51Å; F658-V971 HydrophobicContact CE2-CG2 4.22Å; F658-I974 HydrophobicContact CD1-CD1 4.2Å; F658-I974 HydrophobicContact CE1-CD1 3.3Å; F658-I974 HydrophobicContact CE2-CD1 3.9Å; F658-I974 HydrophobicContact CZ-CD1 3.14Å
659	D	91	Very high	81.7	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-57.1	-43.9	175.3	-82.5	-23.9	0	0	0	110.4	I655 R662 G663 L664 W665 N820 Y903 H908	I655-D659 WeakPolarHBondContact CG2-OD2 3.29Å; I655-D659 VanDerWaalsContact O-CB 3.31Å; I655-D659 WeakPolarHBondContact O-CB 3.26Å; I655-D659 PolarHBondContact O-N 3.07Å; D659-R662 PolarHBondContact O-N 2.68Å; D659-G663 WeakPolarHBondContact O-CA 3.44Å; D659-G663 PolarHBondContact O-N 3.13Å; D659-L664 PolarHBondContact O-N 2.73Å; D659-W665 VanDerWaalsContact OD2-CD1 3.32Å; D659-N820 PolarHBondContact OD2-ND2 3.37Å; D659-Y903 PolarHBondContact OD1-OH 2.74Å; D659-Y903 VanDerWaalsContact OD1-OH 3.11Å; D659-H908 IonicContact OD1-CE1 3.21Å; D659-H908 PolarHBondContact OD1-CE1 3.05Å; D659-H908 IonicContact OD1-NE2 3.08Å; D659-H908 PolarHBondContact OD1-NE2 3.23Å
660	K	86.7	Confident	79.1	Confident	162 Å²	162	56.1 Å²	56.1	70%	0.704	27%	0.27	S	S	*	.	H	α-helix	trans	-65	-40.7	174.5	-175.2	175	-179.1	176.4	0	112.7	H656 F658 R662	H656-K660 WeakPolarHBondContact O-CB 3.23Å; H656-K660 PolarHBondContact O-N 3.06Å; F658-K660 VanDerWaalsContact C-N 3.26Å; F658-K660 PolarHBondContact O-N 3.42Å; K660-R662 VanDerWaalsContact C-N 3.32Å; K660-R662 PolarHBondContact O-N 3.01Å
661	A	83.6	Confident	76.4	Confident	49 Å²	49	60.8 Å²	60.8	41%	0.405	30%	0.295	S	S	.	.	H	α-helix	trans	-70	-26.8	178.6	0	0	0	0	0	113.4	D657 F658 I974	D657-A661 VanDerWaalsContact O-CB 3.29Å; D657-A661 WeakPolarHBondContact O-CB 3.19Å; D657-A661 PolarHBondContact O-N 3.4Å; D657-A661 VanDerWaalsContact O-N 3.15Å; F658-A661 PolarHBondContact O-N 2.99Å; F658-A661 VanDerWaalsContact O-N 3.14Å; A661-I974 HydrophobicContact CB-CG2 4.28Å
662	R	84.4	Confident	73.8	Confident	23 Å²	23	65.6 Å²	65.6	9%	0.087	33%	0.334	C	S	.	.	H	α-helix	trans	-101.4	-12	-179.5	-63.6	178	-175.2	-162.3	11.1	114.1	F104 F658 D659 K660 L664 V907 H908	F104-R662 HydrophobicContact CD2-CB 4.37Å; F104-R662 HydrophobicContact CD2-CG 4.1Å; F104-R662 HydrophobicContact CE2-CG 4.26Å; F658-R662 WeakPolarHBondContact O-CB 3.2Å; F658-R662 WeakPolarHBondContact O-CG 3.14Å; F658-R662 PolarHBondContact O-N 3.26Å; D659-R662 PolarHBondContact O-N 2.68Å; K660-R662 VanDerWaalsContact C-N 3.32Å; K660-R662 PolarHBondContact O-N 3.01Å; R662-L664 VanDerWaalsContact C-N 3.34Å; R662-L664 HydrophobicContact CB-CD1 4.48Å; R662-L664 HydrophobicContact CB-CG 4.17Å; R662-L664 PolarHBondContact O-N 3.15Å; R662-V907 PolarHBondContact NH1-O 3.32Å; R662-H908 PolarHBondContact NH1-ND1 3.08Å; R662-H908 PolarHBondContact NH2-O 3.45Å
663	G	83.5	Confident	71.1	Confident	20 Å²	20	69.6 Å²	69.6	21%	0.206	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	5.4	178	0	0	0	0	0	115.8	D659 W665 S666	D659-G663 WeakPolarHBondContact O-CA 3.44Å; D659-G663 PolarHBondContact O-N 3.13Å; G663-W665 PolarHBondContact O-N 2.8Å; G663-S666 WeakPolarHBondContact CA-OG 3.38Å; G663-S666 WeakPolarHBondContact O-CB 3.43Å; G663-S666 PolarHBondContact O-N 2.75Å; G663-S666 VanDerWaalsContact O-N 3.13Å; G663-S666 PolarHBondContact O-OG 3.4Å
664	L	80.2	Confident	68.4	Low	33 Å²	33	74.3 Å²	74.3	17%	0.173	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.8	-168.4	-72.6	175.7	0	0	0	115.8	F104 L108 D659 R662 V907	F104-L664 HydrophobicContact CB-CD1 4.28Å; F104-L664 HydrophobicContact CB-CD2 3.85Å; F104-L664 HydrophobicContact CB-CG 4.46Å; L108-L664 HydrophobicContact CD2-CB 4.31Å; L108-L664 HydrophobicContact CD2-CD2 4.39Å; D659-L664 PolarHBondContact O-N 2.73Å; R662-L664 VanDerWaalsContact C-N 3.34Å; R662-L664 HydrophobicContact CB-CD1 4.48Å; R662-L664 HydrophobicContact CB-CG 4.17Å; R662-L664 PolarHBondContact O-N 3.15Å; L664-V907 HydrophobicContact CD1-CG1 3.74Å
665	W	81.8	Confident	65.6	Low	64 Å²	64	80.3 Å²	80.3	24%	0.242	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	34.9	-178.4	-65.6	97.8	0	0	0	112.4	L108 M112 D659 G663 I819 N820 P821 Y903	L108-W665 HydrophobicContact CD1-CZ2 4.2Å; L108-W665 HydrophobicContact CD2-CZ2 4.19Å; M112-W665 HydrophobicContact CE-CH2 3.49Å; M112-W665 VanDerWaalsContact CE-CH2 3.49Å; M112-W665 HydrophobicContact CE-CZ2 3.55Å; D659-W665 VanDerWaalsContact OD2-CD1 3.32Å; G663-W665 PolarHBondContact O-N 2.8Å; W665-I819 HydrophobicContact CB-CB 4.44Å; W665-I819 HydrophobicContact CE3-CB 4.02Å; W665-I819 HydrophobicContact CE3-CG2 3.97Å; W665-I819 HydrophobicContact CZ3-CG2 4.3Å; W665-I819 WeakPolarHBondContact O-CD1 3.28Å; W665-N820 HydrophobicContact CD2-CB 3.89Å; W665-N820 HydrophobicContact CG-CB 4.01Å; W665-N820 HydrophobicContact CZ2-CB 4.12Å; W665-N820 PolarHBondContact NE1-ND2 2.82Å; W665-P821 VanDerWaalsContact CH2-CD 3.43Å; W665-P821 HydrophobicContact CH2-CG 4.38Å; W665-Y903 PolarHBondContact NE1-OH 3.47Å; W665-Y903 VanDerWaalsContact NE1-OH 3.07Å
666	S	69.9	Low	62.9	Low	77 Å²	77	91.3 Å²	91.3	54%	0.538	46%	0.464	S	S	.	.			trans	-87.9	126.6	177.2	-46.6	0	0	0	0	110.7	G663 R668	G663-S666 WeakPolarHBondContact CA-OG 3.38Å; G663-S666 WeakPolarHBondContact O-CB 3.43Å; G663-S666 PolarHBondContact O-N 2.75Å; G663-S666 VanDerWaalsContact O-N 3.13Å; G663-S666 PolarHBondContact O-OG 3.4Å; S666-R668 PolarHBondContact O-N 3.39Å
667	T	53.5	Low	60.3	Low	93 Å²	93	98.5 Å²	98.5	57%	0.571	50%	0.498	S	S	*	.			trans	-62.3	104.8	166.5	16.9	0	0	0	0	109.7	I819	T667-I819 HydrophobicContact CG2-CD1 3.87Å
668	R	48	Very low	57.7	Low	192 Å²	192	105.2 Å²	105.2	73%	0.725	53%	0.534	S	S	*	.			trans	-137.2	-14.5	175.6	-160.4	169.3	-169.6	151.1	12.9	114.6	S666	S666-R668 PolarHBondContact O-N 3.39Å
669	E	37.8	Very low	55.1	Low	169 Å²	169	112.3 Å²	112.3	79%	0.79	57%	0.572	S	S	*	*	S	Bend	trans	-130.8	11.8	-168.8	-60.1	-172	159.5	0	0	114.5
670	Y	39	Very low	52.4	Low	195 Å²	195	119.2 Å²	119.2	77%	0.765	61%	0.609	S	S	*	*	S	Bend	trans	-118.1	-25.3	176.7	-73.6	-70.2	0	0	0	115.3	A672	Y670-A672 PolarHBondContact O-N 3.44Å; Y670-A672 VanDerWaalsContact O-N 3.12Å
671	D	35.3	Very low	50.1	Low	100 Å²	100	120 Å²	120	54%	0.535	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	6.5	-175.1	-55.1	-70	0	0	0	114.8	N675	D671-N675 PolarHBondContact O-ND2 3.31Å
672	A	38.2	Very low	47.7	Very low	100 Å²	100	125.5 Å²	125.5	83%	0.826	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-13.9	-168.4	0	0	0	0	0	115.6	Y670	Y670-A672 PolarHBondContact O-N 3.44Å; Y670-A672 VanDerWaalsContact O-N 3.12Å
673	S	36.8	Very low	45.4	Very low	84 Å²	84	130.1 Å²	130.1	59%	0.587	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-42.7	-176.2	52.6	0	0	0	0	114.3
674	D	34.4	Very low	43.1	Very low	135 Å²	135	133.1 Å²	133.1	72%	0.722	70%	0.697	S	S	*	*	S	Bend	trans	-96.9	-7.9	-158.2	-66.5	16.1	0	0	0	114.1	R676	D674-R676 PolarHBondContact O-N 2.83Å
675	N	33.2	Very low	41.2	Very low	131 Å²	131	139.9 Å²	139.9	70%	0.701	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	51.3	-179.7	-71.6	-60.5	0	0	0	113	D671	D671-N675 PolarHBondContact O-ND2 3.31Å
676	R	35.5	Very low	39	Very low	231 Å²	231	146.3 Å²	146.3	87%	0.872	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	1.9	179.1	-83.1	-169.2	174.9	-178.2	1.3	116.4	D674	D674-R676 PolarHBondContact O-N 2.83Å
677	E	36.2	Very low	37.6	Very low	175 Å²	175	152.3 Å²	152.3	82%	0.818	78%	0.782	S	S	*	*	S	Bend	trans	-131.8	87.7	171.7	-71	-173.1	176.9	0	0	110.6
678	N	33.4	Very low	36.5	Very low	169 Å²	169	151.8 Å²	151.8	90%	0.904	80%	0.795	S	S	*	*			trans	-176.6	42.9	154.3	-97.6	-49.1	0	0	0	112.6
679	D	33.8	Very low	35.8	Very low	151 Å²	151	146.2 Å²	146.2	81%	0.807	80%	0.798	S	S	*	*			trans	-75.6	143.6	163.3	-86.7	-41.8	0	0	0	110.2
680	N	35	Very low	35.6	Very low	151 Å²	151	148.1 Å²	148.1	81%	0.807	80%	0.804	S	S	*	*			trans	77.2	91.8	-177.2	-44	-83.6	0	0	0	116.2
681	I	37.6	Very low	35.2	Very low	177 Å²	177	147.1 Å²	147.1	91%	0.908	81%	0.806	S	S	*	*				-157.2	145	110.5	-98.4	153.2	0	0	0	110.3
682	M	34.1	Very low	35.1	Very low	166 Å²	166	151.4 Å²	151.4	82%	0.818	82%	0.823	S	S	*	*			trans	-70.5	162	-158.1	-59	-171.9	66.5	0	0	118
683	S	35.9	Very low	34.9	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	82%	0.817	S	S	*	*			trans	95.2	142.9	147	-59.8	0	0	0	0	117.9
684	A	34.9	Very low	34.5	Very low	84 Å²	84	153.5 Å²	153.5	69%	0.694	83%	0.827	S	S	*	*			trans	-125.7	159.8	-172.1	0	0	0	0	0	110.9
685	D	41.4	Very low	34.2	Very low	174 Å²	174	155.4 Å²	155.4	93%	0.93	83%	0.825	S	S	*	*			trans	-148.3	150.6	132	-96.8	-38.1	0	0	0	108.5
686	K	36.1	Very low	34.2	Very low	200 Å²	200	157.4 Å²	157.4	87%	0.87	84%	0.835	S	S	*	*			trans	-150.3	89.4	-158	-166.6	-175.8	-176.9	-178.2	0	115.2
687	E	38.9	Very low	34.1	Very low	202 Å²	202	155.5 Å²	155.5	94%	0.944	83%	0.828	S	S	*	*			trans	-139.4	145.1	158.7	-63.9	-167.9	159.2	0	0	108.9
688	G	31	Very low	33.8	Very low	82 Å²	82	156.2 Å²	156.2	85%	0.845	82%	0.823	S	S	*	*			cis	176.4	120.4	-8.7	0	0	0	0	0	109.5
689	G	32.8	Very low	33.7	Very low	76 Å²	76	155.3 Å²	155.3	78%	0.784	81%	0.813	S	S	*	*			trans	-165.3	94.3	-168.9	0	0	0	0	0	116.2
690	K	34.6	Very low	33.5	Very low	209 Å²	209	151.6 Å²	151.6	91%	0.909	81%	0.811	S	S	*	*			trans	13.3	113.1	158.4	-60.3	179.7	-179.8	-179	0	118.2
691	E	29.8	Very low	33.2	Very low	174 Å²	174	152.8 Å²	152.8	81%	0.813	81%	0.811	S	S	*	*			trans	-85.2	134	164.5	-62.3	176.1	172.1	0	0	111
692	E	33.4	Very low	33	Very low	190 Å²	190	150.9 Å²	150.9	89%	0.888	81%	0.808	S	S	*	*			trans	-104.6	126	164.5	-70.6	-160.7	144.2	0	0	110.4	G694	E692-G694 PolarHBondContact O-N 2.93Å; E692-G694 VanDerWaalsContact O-N 3.11Å
693	H	33.5	Very low	32.9	Very low	150 Å²	150	148 Å²	148	69%	0.694	80%	0.804	S	S	*	*			trans	-78.5	95.4	-173	-86.8	-51.8	0	0	0	113.8	Y695	H693-Y695 HydrophobicContact CB-CD2 4.03Å; H693-Y695 HydrophobicContact CB-CE2 4.21Å; H693-Y695 PolarHBondContact O-N 3.4Å
694	G	28.8	Very low	32.7	Very low	78 Å²	78	147.9 Å²	147.9	80%	0.804	80%	0.803	S	S	*	*			trans	-73.4	83.4	166.3	0	0	0	0	0	113.5	E692 L696	E692-G694 PolarHBondContact O-N 2.93Å; E692-G694 VanDerWaalsContact O-N 3.11Å; G694-L696 PolarHBondContact O-N 3.04Å
695	Y	29.4	Very low	32.7	Very low	174 Å²	174	151.1 Å²	151.1	68%	0.682	81%	0.807	S	S	*	*			trans	-81.1	93.9	173.5	-93.4	-86.9	0	0	0	112.5	H693	H693-Y695 HydrophobicContact CB-CD2 4.03Å; H693-Y695 HydrophobicContact CB-CE2 4.21Å; H693-Y695 PolarHBondContact O-N 3.4Å
696	L	33.2	Very low	32.5	Very low	173 Å²	173	146.9 Å²	146.9	91%	0.906	80%	0.796	S	S	*	*			trans	-108.4	77.9	163	-150.5	82.3	0	0	0	110.3	G694 R698	G694-L696 PolarHBondContact O-N 3.04Å; L696-R698 PolarHBondContact O-N 3.42Å; L696-R698 VanDerWaalsContact O-N 3.11Å
697	R	32.6	Very low	32.7	Very low	192 Å²	192	145.1 Å²	145.1	73%	0.725	80%	0.796	S	S	*	*			trans	-82.7	92.9	-166.7	-156.7	-178.4	-166	-173.7	4.9	112.9	H699	R697-H699 PolarHBondContact NE-NE2 3.44Å; R697-H699 PolarHBondContact O-N 3.01Å
698	R	28.9	Very low	32.8	Very low	189 Å²	189	143.1 Å²	143.1	71%	0.713	79%	0.792	S	S	*	*			trans	-52	119.5	164.3	178.9	-169.2	-73.9	-168.5	-5.5	110.3	L696	L696-R698 PolarHBondContact O-N 3.42Å; L696-R698 VanDerWaalsContact O-N 3.11Å
699	H	31.9	Very low	33	Very low	150 Å²	150	142.8 Å²	142.8	69%	0.694	79%	0.788	S	S	*	*			trans	-151.5	127.7	163.6	-89.4	-62.8	0	0	0	108.3	R697	R697-H699 PolarHBondContact NE-NE2 3.44Å; R697-H699 PolarHBondContact O-N 3.01Å
700	G	29.4	Very low	33.3	Very low	74 Å²	74	148.9 Å²	148.9	76%	0.763	80%	0.796	S	S	*	*			trans	173	-17.8	-172.8	0	0	0	0	0	115.2
701	E	29.9	Very low	33.5	Very low	176 Å²	176	147.4 Å²	147.4	82%	0.822	79%	0.793	S	S	*	*			trans	-92.6	124.4	170	-67.6	172	131.6	0	0	109.7
702	V	33.6	Very low	33.7	Very low	137 Å²	137	148.2 Å²	148.2	83%	0.83	80%	0.797	S	S	*	*			trans	-117.2	100.7	172.1	177.7	0	0	0	0	108	S704	V702-S704 PolarHBondContact O-N 3.31Å
703	S	30.8	Very low	33.9	Very low	106 Å²	106	142.4 Å²	142.4	74%	0.741	79%	0.787	S	S	*	*			trans	-76	99.9	174.5	53.3	0	0	0	0	110.2	I705	S703-I705 PolarHBondContact O-N 3.14Å; S703-I705 VanDerWaalsContact O-N 3.08Å
704	S	32.6	Very low	33.9	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	80%	0.796	S	S	*	*			trans	-75.7	88.8	170.4	57	0	0	0	0	110.7	V702	V702-S704 PolarHBondContact O-N 3.31Å
705	I	34.6	Very low	34.3	Very low	152 Å²	152	148.2 Å²	148.2	78%	0.779	80%	0.799	S	S	*	*			trans	-73.9	130.1	162.3	-67.3	174.9	0	0	0	107.5	S703	S703-I705 PolarHBondContact O-N 3.14Å; S703-I705 VanDerWaalsContact O-N 3.08Å
706	A	36.1	Very low	34.4	Very low	84 Å²	84	143.6 Å²	143.6	69%	0.694	80%	0.804	S	S	*	*			trans	-78.4	147	172.4	0	0	0	0	0	110.4
707	D	40.4	Very low	34.2	Very low	164 Å²	164	139.5 Å²	139.5	88%	0.877	80%	0.804	S	S	*	*			trans	-145	102.5	171.9	-160.5	27.2	0	0	0	106.4
708	D	42.6	Very low	34.1	Very low	159 Å²	159	133.5 Å²	133.5	85%	0.85	80%	0.802	S	S	*	*			trans	-84.6	131.8	-179.2	-71.1	-56.6	0	0	0	109.4
709	G	33.3	Very low	34.3	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	81%	0.806	S	S	*	*			trans	-96.7	159.6	-175.6	0	0	0	0	0	113.9
710	E	40.6	Very low	34.3	Very low	204 Å²	204	129.2 Å²	129.2	95%	0.953	81%	0.808	S	S	*	*			trans	-143.6	168.6	164.1	-118	172.3	-145.8	0	0	111.1
711	E	37.7	Very low	34.6	Very low	178 Å²	178	131.8 Å²	131.8	83%	0.832	81%	0.808	S	S	*	*			trans	-113.7	150	-151.9	-67.3	-175.9	137	0	0	116.7
712	E	35.2	Very low	34.9	Very low	192 Å²	192	129.5 Å²	129.5	90%	0.897	80%	0.802	S	S	*	*			trans	62.2	164.9	149.3	-69.4	-171.3	179.1	0	0	122.5
713	G	36.7	Very low	35	Very low	67 Å²	67	129.7 Å²	129.7	69%	0.691	79%	0.794	S	S	*	*			trans	93.9	87.3	-179.2	0	0	0	0	0	114.2
714	E	34.6	Very low	35.4	Very low	187 Å²	187	131.2 Å²	131.2	87%	0.874	79%	0.789	S	S	*	*				71.1	135	71.3	-65.4	-155.2	137.8	0	0	116.9
715	D	36.2	Very low	35.5	Very low	164 Å²	164	132.9 Å²	132.9	88%	0.877	78%	0.782	S	S	*	*			trans	58.4	133.3	164.8	-73.8	-5.9	0	0	0	123.3
716	G	32	Very low	35.4	Very low	76 Å²	76	133.2 Å²	133.2	78%	0.784	78%	0.78	S	S	*	*			trans	165.2	-16.9	136.4	0	0	0	0	0	124.9
717	G	29.7	Very low	35.1	Very low	87 Å²	87	136.3 Å²	136.3	90%	0.897	79%	0.785	S	S	*	*			trans	67.1	-179.7	-176.9	0	0	0	0	0	115.4
718	G	30.1	Very low	34.5	Very low	66 Å²	66	133.3 Å²	133.3	68%	0.68	78%	0.777	S	S	*	*			cis	172.6	170.3	-4.6	0	0	0	0	0	111.4
719	T	32.6	Very low	33.8	Very low	131 Å²	131	130.7 Å²	130.7	80%	0.804	77%	0.77	S	S	*	*			trans	74.6	96.1	177.9	-32.7	0	0	0	0	114.3
720	T	31.2	Very low	33.5	Very low	119 Å²	119	135.5 Å²	135.5	73%	0.73	77%	0.769	S	S	*	*				64.4	111.9	64.7	73.5	0	0	0	0	116.9
721	T	36.9	Very low	32.8	Very low	127 Å²	127	131.5 Å²	131.5	78%	0.779	76%	0.755	S	S	*	*				-173.4	131	118.2	30.2	0	0	0	0	112
722	N	34.6	Very low	32.3	Very low	129 Å²	129	128.8 Å²	128.8	69%	0.69	75%	0.751	S	S	*	*				37.7	138.2	128.6	-58.6	30.9	0	0	0	119.4
723	E	37.5	Very low	32	Very low	141 Å²	141	127.2 Å²	127.2	66%	0.659	75%	0.747	S	S	*	*			cis	-172	170.9	13.5	-122.4	174	-97.7	0	0	108.2
724	Q	37.9	Very low	31.5	Very low	137 Å²	137	128 Å²	128	64%	0.64	74%	0.742	S	S	*	*			cis	-138.3	-173.4	8.4	-67.6	-157.8	-27.9	0	0	111.4
725	K	34.2	Very low	31.3	Very low	152 Å²	152	126 Å²	126	66%	0.661	74%	0.737	S	S	*	*			trans	32.4	138.9	138.6	-73.7	173.2	173.4	-92.6	0	120.8
726	E	33.4	Very low	31	Very low	158 Å²	158	125 Å²	125	74%	0.738	73%	0.727	S	S	*	*			cis	-152.9	170.8	6.4	-143.8	145.5	-128.3	0	0	111.8
727	N	29.9	Very low	30.9	Very low	150 Å²	150	126.9 Å²	126.9	80%	0.802	72%	0.719	S	S	*	*			trans	-140.8	140	-160.3	-128.9	-19.7	0	0	0	114.5
728	S	28.6	Very low	31	Very low	101 Å²	101	128.9 Å²	128.9	71%	0.706	71%	0.709	S	S	*	*			trans	73.1	145.4	150.9	78.4	0	0	0	0	122.4
729	C	26.3	Very low	31.3	Very low	104 Å²	104	133.1 Å²	133.1	70%	0.703	72%	0.715	S	S	*	*			trans	66.8	113.6	143.6	-78.1	0	0	0	0	122.3
730	K	28.2	Very low	31.3	Very low	175 Å²	175	131.7 Å²	131.7	76%	0.761	71%	0.71	S	S	*	*				87.5	147.9	121.1	-75.1	-175.3	178.5	-170.3	0	121.6
731	D	25.2	Very low	31.6	Very low	121 Å²	121	133.4 Å²	133.4	65%	0.647	71%	0.71	S	S	*	*			trans	60.5	92.3	145	-54.1	-15.4	0	0	0	120.9
732	T	27.8	Very low	31.7	Very low	121 Å²	121	133 Å²	133	74%	0.742	70%	0.704	S	S	*	*			trans	74	161.3	133.9	69.3	0	0	0	0	120.3
733	L	27.6	Very low	31.7	Very low	159 Å²	159	133.1 Å²	133.1	83%	0.832	70%	0.704	S	S	*	*			trans	70.6	149.2	166.9	-56.8	173.8	0	0	0	116.2
734	S	27.7	Very low	31.9	Very low	82 Å²	82	132.4 Å²	132.4	57%	0.573	70%	0.703	S	S	*	*			cis	-176.7	145.5	-19.9	56.4	0	0	0	0	110.9
735	L	28.9	Very low	31.8	Very low	147 Å²	147	132 Å²	132	77%	0.77	71%	0.705	S	S	*	*			trans	67.1	163.1	155.7	-56.2	157.5	0	0	0	114.5
736	Q	30.3	Very low	31.9	Very low	141 Å²	141	131.9 Å²	131.9	66%	0.659	71%	0.707	S	S	*	*			cis	-164.8	165.4	-7.2	-129.9	171.4	-5.8	0	0	111.6
737	N	31.1	Very low	32	Very low	117 Å²	117	129 Å²	129	63%	0.626	70%	0.7	S	S	*	*			trans	68.1	158.4	154.7	-54.6	-26.5	0	0	0	118.5
738	N	30.3	Very low	32.3	Very low	129 Å²	129	126.7 Å²	126.7	69%	0.69	70%	0.696	S	S	*	*			cis	-164.3	151.6	-33.1	-91.2	-24.8	0	0	0	105.5
739	L	36.7	Very low	32.6	Very low	155 Å²	155	127.4 Å²	127.4	81%	0.812	69%	0.692	S	S	*	*				-179	125.6	89.7	-90	166.9	0	0	0	110.4
740	S	33.6	Very low	33.2	Very low	100 Å²	100	130 Å²	130	70%	0.699	69%	0.693	S	S	*	*				50.1	137.9	128.2	74.1	0	0	0	0	121
741	E	37.1	Very low	33.5	Very low	156 Å²	156	126.8 Å²	126.8	73%	0.729	69%	0.685	S	S	*	*			cis	-152.9	147.1	34.2	-89.3	-161.5	113.7	0	0	114.8
742	N	37.9	Very low	34	Very low	119 Å²	119	130.4 Å²	130.4	64%	0.636	69%	0.689	S	S	*	*			trans	60.7	137.7	137.6	-50.4	-11.3	0	0	0	120.6
743	D	36.2	Very low	34.3	Very low	131 Å²	131	129.4 Å²	129.4	70%	0.701	69%	0.687	S	S	*	*			cis	-165.2	169.4	-3.5	-135	-27.2	0	0	0	115.4
744	I	41.2	Very low	34.8	Very low	125 Å²	125	130.3 Å²	130.3	64%	0.641	69%	0.69	S	S	*	*			trans	67	104.7	151.2	-68.2	160.8	0	0	0	120.3
745	N	35.1	Very low	35.3	Very low	128 Å²	128	133.2 Å²	133.2	68%	0.684	70%	0.698	S	S	*	*				54.5	150.8	126.4	-59	-27.2	0	0	0	121.8
746	H	36.5	Very low	35.6	Very low	151 Å²	151	133 Å²	133	70%	0.699	70%	0.703	S	S	*	*			cis	-171.7	161.8	2.7	-118.3	39.2	0	0	0	106.4
747	T	36.7	Very low	35.8	Very low	97 Å²	97	133 Å²	133	60%	0.595	71%	0.707	S	S	*	*			cis	-171.6	147.3	-16.3	18.8	0	0	0	0	109.4
748	S	34.7	Very low	36.1	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	72%	0.717	S	S	*	*			trans	64.3	153.9	141.6	86.3	0	0	0	0	120.1
749	N	36.7	Very low	36.2	Very low	117 Å²	117	134.6 Å²	134.6	63%	0.626	72%	0.718	S	S	*	*			cis	-159.3	141.9	6.3	-132.3	6	0	0	0	113.1
750	Q	38.2	Very low	36.1	Very low	157 Å²	157	132.6 Å²	132.6	73%	0.734	71%	0.713	S	S	*	*			trans	64.7	152.6	136.7	-72.7	171.2	1.2	0	0	122.6
751	D	34.1	Very low	36.1	Very low	108 Å²	108	135.6 Å²	135.6	58%	0.578	72%	0.715	S	S	*	*			cis	-171.5	160.1	-31.8	-143.2	-6.3	0	0	0	110.9
752	R	35.5	Very low	36	Very low	198 Å²	198	134.7 Å²	134.7	75%	0.747	72%	0.716	S	S	*	*			trans	61	127.7	160.9	-62.8	151.9	-145.3	-143.2	-1.7	118.1
753	S	35.1	Very low	35.7	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	72%	0.724	S	S	*	*			cis	76.6	121.4	33.5	89.2	0	0	0	0	116.1
754	M	38.4	Very low	35.6	Very low	178 Å²	178	139 Å²	139	88%	0.877	73%	0.728	S	S	*	*				-166.4	159.1	99.7	-92.1	-169.8	75.6	0	0	111.1
755	D	36.7	Very low	35.3	Very low	142 Å²	142	140 Å²	140	76%	0.759	74%	0.74	S	S	*	*			trans	-85.9	165.8	-165.7	-40.8	-100.2	0	0	0	114.4
756	V	36.9	Very low	35.3	Very low	142 Å²	142	141.8 Å²	141.8	86%	0.861	75%	0.746	S	S	*	*				176.6	130.3	116.7	150.4	0	0	0	0	110.9
757	D	34.2	Very low	35.3	Very low	141 Å²	141	143.7 Å²	143.7	75%	0.754	76%	0.755	S	S	*	*			trans	-71.4	139	168.1	-75.4	-62	0	0	0	112.4
758	Q	36.9	Very low	35.3	Very low	176 Å²	176	145 Å²	145	82%	0.822	76%	0.758	S	S	*	*				176.3	106.5	115.5	-96	162.6	60.4	0	0	115.3
759	S	32.2	Very low	35.6	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	77%	0.768	S	S	*	*				73.4	151	127.8	77.7	0	0	0	0	123
760	V	34.6	Very low	35.5	Very low	114 Å²	114	150 Å²	150	69%	0.691	77%	0.772	S	S	*	*			trans	82.8	103.5	156.4	-170.8	0	0	0	0	119.2
761	E	33.4	Very low	35.4	Very low	162 Å²	162	149.3 Å²	149.3	76%	0.757	78%	0.778	S	S	*	*			trans	71.6	132	139.4	-73.1	172.8	-146.9	0	0	124
762	N	34.8	Very low	35.5	Very low	137 Å²	137	150.8 Å²	150.8	73%	0.733	79%	0.786	S	S	*	*			trans	90.7	156.1	140.6	-58.4	-15.8	0	0	0	122.8
763	E	32	Very low	35.7	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.804	79%	0.791	S	S	*	*			trans	-78.6	166.1	-157.3	-62.9	168.3	140	0	0	116.5
764	E	33.3	Very low	35.8	Very low	170 Å²	170	150.3 Å²	150.3	79%	0.794	79%	0.789	S	S	*	*			trans	49.3	112.1	147.8	-69.5	-179.3	-171.7	0	0	121.2
765	T	35.2	Very low	35.8	Very low	146 Å²	146	147.5 Å²	147.5	90%	0.896	78%	0.778	S	S	*	*				-170.8	165.4	106.5	18.6	0	0	0	0	111.8
766	M	35.8	Very low	35.9	Very low	165 Å²	165	149.2 Å²	149.2	81%	0.813	78%	0.778	S	S	*	*			trans	-105.9	162.1	172	-51.6	-155.4	-46.4	0	0	110.8
767	E	36.7	Very low	35.6	Very low	191 Å²	191	151 Å²	151	89%	0.893	78%	0.777	S	S	*	*				-164.1	159.4	127.8	-114.2	174.3	-154.8	0	0	112.8
768	D	36.5	Very low	35.6	Very low	123 Å²	123	150 Å²	150	66%	0.658	78%	0.781	S	S	*	*			trans	-85.6	158.2	-169.7	-64.6	-71.7	0	0	0	114.5
769	Q	40.9	Very low	35.3	Very low	192 Å²	192	145.8 Å²	145.8	90%	0.897	77%	0.771	S	S	*	*			trans	-153.5	130.7	133.9	-119.6	141.5	110.2	0	0	115.7
770	N	33.9	Very low	35.4	Very low	133 Å²	133	149.4 Å²	149.4	71%	0.711	78%	0.776	S	S	*	*			trans	-63.4	158.1	-179.2	-45.4	-81.5	0	0	0	114
771	T	36	Very low	35.2	Very low	142 Å²	142	152.4 Å²	152.4	87%	0.871	78%	0.783	S	S	*	*				-161.5	153	111.8	15.6	0	0	0	0	112.5
772	D	36	Very low	35.4	Very low	138 Å²	138	154.8 Å²	154.8	74%	0.738	79%	0.791	S	S	*	*			trans	-77.9	179.1	-168.5	-53.1	-88.7	0	0	0	116
773	L	41.4	Very low	35	Very low	163 Å²	163	153.3 Å²	153.3	85%	0.853	79%	0.787	S	S	*	*			trans	109.4	143.7	147.6	-55.2	177.3	0	0	0	117.2
774	D	36.3	Very low	35.2	Very low	125 Å²	125	153.7 Å²	153.7	67%	0.668	79%	0.788	S	S	*	*			cis	-167.6	166.9	-40.9	-152.7	-15	0	0	0	108
775	L	38.1	Very low	35.1	Very low	120 Å²	120	154.5 Å²	154.5	63%	0.628	79%	0.789	S	S	*	*			trans	61.9	114.4	154.6	-62.7	-178.4	0	0	0	121.8
776	K	39	Very low	34.8	Very low	177 Å²	177	152.3 Å²	152.3	77%	0.77	78%	0.78	S	S	*	*				110.4	132.2	120.2	-80.9	168.6	-178.4	164.9	0	121.1
777	E	30.7	Very low	34.5	Very low	179 Å²	179	149.8 Å²	149.8	84%	0.836	78%	0.778	S	S	*	*			trans	-67.4	149.8	172	-51.6	149.8	106.5	0	0	112.1
778	S	34.6	Very low	34.3	Very low	121 Å²	121	146.1 Å²	146.1	85%	0.846	77%	0.774	S	S	*	*				-179.7	160.9	102.2	42.7	0	0	0	0	112.8
779	S	29.6	Very low	34	Very low	88 Å²	88	147.3 Å²	147.3	62%	0.615	78%	0.779	S	S	*	*			trans	-67	145.7	-175.8	53.9	0	0	0	0	114.4
780	H	34.8	Very low	33.5	Very low	179 Å²	179	145.5 Å²	145.5	83%	0.829	77%	0.771	S	S	*	*				-165.8	169.3	104.3	-95	-49.3	0	0	0	113.7
781	Q	31	Very low	33.4	Very low	178 Å²	178	145.8 Å²	145.8	83%	0.832	77%	0.772	S	S	*	*			trans	-82.9	137.4	-170	-60.5	155.2	-34.3	0	0	112.3
782	K	36.8	Very low	33.2	Very low	211 Å²	211	143.9 Å²	143.9	92%	0.917	76%	0.757	S	S	*	*			trans	-162.2	155.6	133.4	-109.6	157.4	-172.6	176.5	0	112.1
783	T	26.4	Very low	33	Very low	107 Å²	107	143.5 Å²	143.5	66%	0.656	76%	0.755	S	S	*	*			trans	-73.8	149.5	179.9	48.2	0	0	0	0	112.1
784	H	36	Very low	32.8	Very low	179 Å²	179	142.6 Å²	142.6	83%	0.829	75%	0.751	S	S	*	*				-178.3	126.9	115.3	-88.7	-58.8	0	0	0	113.7
785	K	31.6	Very low	33.2	Very low	188 Å²	188	143.1 Å²	143.1	82%	0.817	75%	0.747	S	S	*	*			trans	35.1	125.3	141.2	-121.2	178.6	179.9	-177.3	0	122.4
786	S	29.2	Very low	33.3	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	75%	0.752	S	S	*	*			trans	60.2	116.2	138	56.7	0	0	0	0	122.1
787	S	28.2	Very low	33.6	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	74%	0.744	S	S	*	*				175.4	127.3	105.5	42.6	0	0	0	0	113.7
788	S	33.3	Very low	34.8	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	72%	0.722	S	S	*	*			trans	157.2	86.4	164.5	33.1	0	0	0	0	107.6
789	L	31.1	Very low	36.2	Very low	147 Å²	147	135.6 Å²	135.6	77%	0.77	71%	0.708	S	S	*	*				75.8	103.9	73.1	-66.5	171.6	0	0	0	114.1
790	Q	29.5	Very low	38.5	Very low	154 Å²	154	132 Å²	132	72%	0.72	68%	0.682	S	S	*	*			trans	69.1	167.9	158.6	-72.4	132.8	-29.6	0	0	119.5
791	D	31.3	Very low	40.8	Very low	139 Å²	139	124.2 Å²	124.2	74%	0.743	65%	0.646	S	S	*	*	S	Bend	trans	79.1	29.2	172.5	-59.5	2.1	0	0	0	121.3	K795	D791-K795 PolarHBondContact O-NZ 3.12Å
792	N	31.5	Very low	43.4	Very low	103 Å²	103	115.8 Å²	115.8	55%	0.551	61%	0.607	S	S	*	*			trans	-129.8	-8.6	-179.7	-76.9	-66.1	0	0	0	120	K795	N792-K795 PolarHBondContact OD1-NZ 3.33Å
793	D	32	Very low	45.6	Very low	130 Å²	130	106.4 Å²	106.4	70%	0.695	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-77.9	-31.2	-165.4	-58.7	-54.5	0	0	0	115	K795 Q796	D793-K795 PolarHBondContact O-N 2.93Å; D793-Q796 PolarHBondContact O-N 3.33Å
794	D	38.5	Very low	48.2	Very low	144 Å²	144	104.7 Å²	104.7	77%	0.77	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-60.5	-20	-178.5	-55.8	-51.9	0	0	0	114.5	Q796 S797	D794-Q796 PolarHBondContact O-N 3.1Å; D794-S797 PolarHBondContact O-OG 3.49Å
795	K	44.5	Very low	50.6	Low	136 Å²	136	100.1 Å²	100.1	59%	0.591	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-80.6	-10.5	-170.1	-65.5	155.7	-174.8	150.8	0	113.8	D791 N792 D793	D791-K795 PolarHBondContact O-NZ 3.12Å; N792-K795 PolarHBondContact OD1-NZ 3.33Å; D793-K795 PolarHBondContact O-N 2.93Å
796	Q	39.6	Very low	53.2	Low	155 Å²	155	94.7 Å²	94.7	72%	0.724	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-81.8	-22.3	-178.5	-63.7	-167.8	11.1	0	0	113.9	D793 D794 D798	D793-Q796 PolarHBondContact O-N 3.33Å; D794-Q796 PolarHBondContact O-N 3.1Å; Q796-D798 PolarHBondContact O-N 2.78Å; Q796-D798 VanDerWaalsContact O-N 3.12Å
797	S	45.2	Very low	56	Low	85 Å²	85	96.3 Å²	96.3	59%	0.594	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-60.2	-20.5	-179.8	60	0	0	0	0	114.8	R653 D794	R653-S797 PolarHBondContact NH2-O 2.96Å; D794-S797 PolarHBondContact O-OG 3.49Å
798	D	55.4	Low	58.8	Low	73 Å²	73	95.4 Å²	95.4	39%	0.39	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-91	4.9	-168.7	-166.4	43.5	0	0	0	113.3	Q796 I800 K968 R972	Q796-D798 PolarHBondContact O-N 2.78Å; Q796-D798 VanDerWaalsContact O-N 3.12Å; D798-I800 PolarHBondContact O-N 2.78Å; D798-K968 WeakPolarHBondContact O-CE 3.2Å; D798-K968 PolarHBondContact O-NZ 2.94Å; D798-K968 WeakPolarHBondContact OD1-CE 3.42Å; D798-K968 IonicContact OD1-NZ 3.21Å; D798-K968 PolarHBondContact OD1-NZ 3.12Å; D798-K968 VanDerWaalsContact OD1-NZ 3.1Å; D798-K968 IonicContact OD2-NZ 3.91Å; D798-K968 PolarHBondContact OD2-NZ 2.86Å; D798-R972 IonicContact OD1-CZ 2.69Å; D798-R972 IonicContact OD1-NE 2.66Å; D798-R972 IonicContact OD1-NH2 3.67Å; D798-R972 PolarHBondContact OD1-NH2 2.92Å; D798-R972 IonicContact OD2-NH2 2.83Å; D798-R972 PolarHBondContact OD2-NH2 3.43Å
799	F	65.7	Low	61.4	Low	125 Å²	125	90.1 Å²	90.1	55%	0.548	46%	0.463	S	S	.	.			trans	-99.9	85.4	-172.1	-154.7	-106	0	0	0	114.2	D801 I812	F799-D801 WeakPolarHBondContact CD1-O 3.49Å; F799-D801 WeakPolarHBondContact CE1-O 3.24Å; F799-D801 WeakPolarHBondContact CZ-O 3.46Å; F799-I812 WeakPolarHBondContact O-CD1 3.21Å
800	I	77.9	Confident	64.1	Low	12 Å²	12	84.5 Å²	84.5	6%	0.062	44%	0.438	C	S	.	.			trans	-73.8	-25.9	-177.8	-59.2	-177.1	0	0	0	113.7	I650 R653 D798 P802 K968 V971	I650-I800 HydrophobicContact CG1-CG2 4.47Å; I650-I800 HydrophobicContact CG2-CG2 4.26Å; R653-I800 HydrophobicContact CG-CG1 4.4Å; R653-I800 HydrophobicContact CG-CG2 4.42Å; D798-I800 PolarHBondContact O-N 2.78Å; I800-P802 WeakPolarHBondContact O-CD 3.22Å; I800-K968 HydrophobicContact CD1-CB 4.01Å; I800-K968 HydrophobicContact CD1-CD 4.24Å; I800-K968 HydrophobicContact CD1-CG 3.79Å; I800-K968 HydrophobicContact CG1-CD 4.4Å; I800-K968 HydrophobicContact CG1-CG 4.48Å; I800-V971 HydrophobicContact CD1-CG2 4.18Å
801	D	82.6	Confident	66.9	Low	16 Å²	16	81.9 Å²	81.9	9%	0.086	43%	0.429	C	S	.	.			trans	-101.4	105.2	-169	-173.9	7.8	0	0	0	111.3	R646 F799 G803 H961 A964	R646-D801 IonicContact CZ-OD1 2.76Å; R646-D801 VanDerWaalsContact CZ-OD1 3.24Å; R646-D801 IonicContact CZ-OD2 3.69Å; R646-D801 IonicContact NE-OD1 3.83Å; R646-D801 PolarHBondContact NE-OD1 3.48Å; R646-D801 VanDerWaalsContact NH2-CG 3.29Å; R646-D801 IonicContact NH2-OD1 2.7Å; R646-D801 PolarHBondContact NH2-OD1 2.74Å; R646-D801 IonicContact NH2-OD2 3.41Å; R646-D801 PolarHBondContact NH2-OD2 2.84Å; F799-D801 WeakPolarHBondContact CD1-O 3.49Å; F799-D801 WeakPolarHBondContact CE1-O 3.24Å; F799-D801 WeakPolarHBondContact CZ-O 3.46Å; D801-G803 PolarHBondContact O-N 3.18Å; D801-G803 VanDerWaalsContact O-N 3.09Å; D801-G803 PolarHBondContact OD1-N 3.3Å; D801-H961 IonicContact OD2-CE1 3.75Å; D801-H961 IonicContact OD2-CG 3.99Å; D801-H961 IonicContact OD2-ND1 2.75Å; D801-H961 PolarHBondContact OD2-ND1 2.96Å; D801-A964 HydrophobicContact CB-CB 3.68Å; D801-A964 VanDerWaalsContact CG-CB 3.45Å; D801-A964 WeakPolarHBondContact OD2-CB 3.43Å
802	P	84.4	Confident	69.6	Low	2 Å²	2	76.1 Å²	76.1	1%	0.013	40%	0.398	C	S	.	.			trans	-64	-16.8	179.4	26.9	-34.8	0	0	0	113	R646 V649 I800 K808 A809 I812	R646-P802 HydrophobicContact CG-CG 4.19Å; V649-P802 HydrophobicContact CB-CG 4.04Å; V649-P802 HydrophobicContact CG1-CB 4.45Å; V649-P802 HydrophobicContact CG1-CG 3.91Å; V649-P802 HydrophobicContact CG2-CG 4.39Å; I800-P802 WeakPolarHBondContact O-CD 3.22Å; P802-K808 HydrophobicContact CB-CB 4.22Å; P802-A809 HydrophobicContact CB-CB 3.98Å; P802-A809 HydrophobicContact CG-CB 4.41Å; P802-I812 HydrophobicContact CB-CD1 4.09Å
803	G	83.7	Confident	72.3	Confident	13 Å²	13	71.9 Å²	71.9	13%	0.134	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	-141.3	-160.3	0	0	0	0	0	109.6	R646 D801	R646-G803 VanDerWaalsContact CD-O 3.24Å; R646-G803 WeakPolarHBondContact CD-O 3.39Å; R646-G803 WeakPolarHBondContact CG-O 3.32Å; D801-G803 PolarHBondContact O-N 3.18Å; D801-G803 VanDerWaalsContact O-N 3.09Å; D801-G803 PolarHBondContact OD1-N 3.3Å
804	D	81.6	Confident	74.9	Confident	72 Å²	72	70.8 Å²	70.8	39%	0.385	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	8.9	176.6	-60.5	15.8	0	0	0	111	R637 R646 L806	R637-D804 IonicContact CZ-OD1 3.08Å; R637-D804 IonicContact CZ-OD2 3.42Å; R637-D804 IonicContact NH1-OD2 2.73Å; R637-D804 PolarHBondContact NH1-OD2 2.82Å; R637-D804 VanDerWaalsContact NH2-CG 3.3Å; R637-D804 IonicContact NH2-OD1 2.68Å; R637-D804 PolarHBondContact NH2-OD1 3.28Å; R637-D804 IonicContact NH2-OD2 3.73Å; R637-D804 PolarHBondContact NH2-OD2 3.46Å; R646-D804 IonicContact CZ-OD1 2.67Å; R646-D804 IonicContact NH1-OD1 2.69Å; R646-D804 PolarHBondContact NH1-OD1 3.14Å; D804-L806 PolarHBondContact O-N 2.72Å
805	D	86.2	Confident	77.2	Confident	83 Å²	83	66.8 Å²	66.8	44%	0.444	35%	0.352	S	S	.	.			trans	-85.6	104.1	-177.3	-67.3	-40.8	0	0	0	111.9	I807 K808 A809	D805-I807 VanDerWaalsContact C-N 3.27Å; D805-I807 PolarHBondContact O-N 2.82Å; D805-K808 HydrophobicContact CB-CB 4.17Å; D805-K808 HydrophobicContact CB-CD 3.9Å; D805-K808 HydrophobicContact CB-CG 3.96Å; D805-K808 WeakPolarHBondContact O-CB 3.2Å; D805-K808 PolarHBondContact O-N 2.97Å; D805-K808 VanDerWaalsContact OD2-CE 3.26Å; D805-K808 WeakPolarHBondContact OD2-CE 3.44Å; D805-K808 IonicContact OD2-NZ 3.81Å; D805-K808 PolarHBondContact OD2-NZ 2.75Å; D805-A809 PolarHBondContact O-N 3.44Å; D805-A809 VanDerWaalsContact O-N 3.12Å
806	L	85.9	Confident	79.2	Confident	74 Å²	74	61.5 Å²	61.5	39%	0.387	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-33.3	-177.6	-60.9	179.3	0	0	0	114.2	D804 K808 A809 A810	D804-L806 PolarHBondContact O-N 2.72Å; L806-K808 VanDerWaalsContact C-N 3.32Å; L806-K808 PolarHBondContact O-N 2.78Å; L806-A809 WeakPolarHBondContact O-CB 3.12Å; L806-A809 PolarHBondContact O-N 3.4Å; L806-A810 PolarHBondContact O-N 2.73Å
807	I	87.5	Confident	81.3	Confident	132 Å²	132	63.1 Å²	63.1	68%	0.677	34%	0.335	S	S	*	.	H	α-helix	trans	-65.3	-35.9	176.5	-59.4	173.9	0	0	0	111.2	D805 N811	D805-I807 VanDerWaalsContact C-N 3.27Å; D805-I807 PolarHBondContact O-N 2.82Å; I807-N811 WeakPolarHBondContact O-CB 3.37Å; I807-N811 PolarHBondContact O-N 3.31Å; I807-N811 PolarHBondContact O-ND2 2.92Å
808	K	87.9	Confident	83.1	Confident	94 Å²	94	61 Å²	61	41%	0.409	32%	0.319	S	S	.	.	H	α-helix	trans	-72.4	-38.3	175.4	-65.1	-179.4	-172.9	156	0	111.1	P802 D805 L806 N811 I812	P802-K808 HydrophobicContact CB-CB 4.22Å; D805-K808 HydrophobicContact CB-CB 4.17Å; D805-K808 HydrophobicContact CB-CD 3.9Å; D805-K808 HydrophobicContact CB-CG 3.96Å; D805-K808 WeakPolarHBondContact O-CB 3.2Å; D805-K808 PolarHBondContact O-N 2.97Å; D805-K808 VanDerWaalsContact OD2-CE 3.26Å; D805-K808 WeakPolarHBondContact OD2-CE 3.44Å; D805-K808 IonicContact OD2-NZ 3.81Å; D805-K808 PolarHBondContact OD2-NZ 2.75Å; L806-K808 VanDerWaalsContact C-N 3.32Å; L806-K808 PolarHBondContact O-N 2.78Å; K808-N811 PolarHBondContact O-N 3Å; K808-I812 VanDerWaalsContact O-CG1 3.28Å; K808-I812 WeakPolarHBondContact O-CG1 3.14Å; K808-I812 PolarHBondContact O-N 2.82Å
809	A	88	Confident	84.5	Confident	4 Å²	4	61.7 Å²	61.7	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-56.7	-51.8	172.9	0	0	0	0	0	111.6	V649 P802 D805 L806 N811 I812 L813 L830	V649-A809 HydrophobicContact CG2-CB 3.54Å; P802-A809 HydrophobicContact CB-CB 3.98Å; P802-A809 HydrophobicContact CG-CB 4.41Å; D805-A809 PolarHBondContact O-N 3.44Å; D805-A809 VanDerWaalsContact O-N 3.12Å; L806-A809 WeakPolarHBondContact O-CB 3.12Å; L806-A809 PolarHBondContact O-N 3.4Å; A809-N811 PolarHBondContact O-N 2.97Å; A809-I812 PolarHBondContact O-N 3.18Å; A809-L813 PolarHBondContact O-N 2.82Å; A809-L830 HydrophobicContact CB-CD1 3.6Å; A809-L830 HydrophobicContact CB-CD2 4.1Å; A809-L830 HydrophobicContact CB-CG 4.49Å
810	A	87.5	Confident	85.6	Confident	28 Å²	28	55.7 Å²	55.7	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-43.4	177.6	0	0	0	0	0	112.3	L806 I812 L813 N814 L830	L806-A810 PolarHBondContact O-N 2.73Å; A810-I812 VanDerWaalsContact C-N 3.33Å; A810-I812 PolarHBondContact O-N 3.43Å; A810-L813 PolarHBondContact O-N 3.07Å; A810-N814 WeakPolarHBondContact O-CB 3.46Å; A810-N814 VanDerWaalsContact O-CG 3.26Å; A810-N814 PolarHBondContact O-N 3.06Å; A810-N814 PolarHBondContact O-ND2 2.89Å; A810-L830 HydrophobicContact CB-CD1 4.16Å
811	N	88.7	Confident	86.1	Confident	100 Å²	100	58.1 Å²	58.1	54%	0.535	31%	0.311	S	S	.	.	H	α-helix	trans	-64.2	-34.4	177	-72.3	-11.4	0	0	0	113.3	I807 K808 A809 S815	I807-N811 WeakPolarHBondContact O-CB 3.37Å; I807-N811 PolarHBondContact O-N 3.31Å; I807-N811 PolarHBondContact O-ND2 2.92Å; K808-N811 PolarHBondContact O-N 3Å; A809-N811 PolarHBondContact O-N 2.97Å; N811-S815 PolarHBondContact O-N 3.4Å
812	I	86.9	Confident	86.4	Confident	18 Å²	18	58.5 Å²	58.5	9%	0.092	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-45.8	174.9	-70.1	165.5	0	0	0	110.2	V649 R653 F799 P802 K808 A809 A810 S815	V649-I812 HydrophobicContact CG1-CB 3.86Å; V649-I812 HydrophobicContact CG1-CD1 4.17Å; V649-I812 HydrophobicContact CG1-CG2 3.61Å; R653-I812 HydrophobicContact CB-CG2 4.35Å; F799-I812 WeakPolarHBondContact O-CD1 3.21Å; P802-I812 HydrophobicContact CB-CD1 4.09Å; K808-I812 VanDerWaalsContact O-CG1 3.28Å; K808-I812 WeakPolarHBondContact O-CG1 3.14Å; K808-I812 PolarHBondContact O-N 2.82Å; A809-I812 PolarHBondContact O-N 3.18Å; A810-I812 VanDerWaalsContact C-N 3.33Å; A810-I812 PolarHBondContact O-N 3.43Å; I812-S815 WeakPolarHBondContact O-CB 3.46Å; I812-S815 PolarHBondContact O-N 2.71Å; I812-S815 PolarHBondContact O-OG 2.92Å
813	L	88	Confident	86.6	Confident	13 Å²	13	59.3 Å²	59.3	7%	0.068	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-46.1	177.3	-66.5	-178	0	0	0	111.9	V649 A652 A809 A810 S815 I816 L826 T827 L830	V649-L813 HydrophobicContact CG2-CD1 4.38Å; V649-L813 HydrophobicContact CG2-CG 4.31Å; A652-L813 HydrophobicContact CB-CD2 3.67Å; A809-L813 PolarHBondContact O-N 2.82Å; A810-L813 PolarHBondContact O-N 3.07Å; L813-S815 PolarHBondContact O-N 2.85Å; L813-I816 HydrophobicContact CD2-CD1 4.23Å; L813-I816 WeakPolarHBondContact O-CB 3.36Å; L813-I816 PolarHBondContact O-N 2.79Å; L813-L826 HydrophobicContact CD1-CB 3.89Å; L813-L826 VanDerWaalsContact CD1-O 3.28Å; L813-L826 WeakPolarHBondContact CD1-O 3.29Å; L813-L826 HydrophobicContact CD2-CB 4.31Å; L813-L826 HydrophobicContact CD2-CD1 4.49Å; L813-T827 HydrophobicContact CB-CG2 4.22Å; L813-T827 HydrophobicContact CD1-CG2 4.47Å; L813-L830 HydrophobicContact CD1-CD1 3.62Å; L813-L830 HydrophobicContact CD1-CG 4.1Å; L813-L830 HydrophobicContact CG-CD1 4.48Å
814	N	87.9	Confident	86.8	Confident	108 Å²	108	64.6 Å²	64.6	58%	0.578	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.6	176.6	-70.8	-19.8	0	0	0	114	A810 T827	A810-N814 WeakPolarHBondContact O-CB 3.46Å; A810-N814 VanDerWaalsContact O-CG 3.26Å; A810-N814 PolarHBondContact O-N 3.06Å; A810-N814 PolarHBondContact O-ND2 2.89Å; N814-T827 WeakPolarHBondContact OD1-CG2 3.23Å
815	S	86.6	Confident	87	Confident	60 Å²	60	62.9 Å²	62.9	42%	0.42	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-13.2	172.5	80.2	0	0	0	0	113.8	R653 N811 I812 L813	R653-S815 PolarHBondContact NH1-OG 3.21Å; N811-S815 PolarHBondContact O-N 3.4Å; I812-S815 WeakPolarHBondContact O-CB 3.46Å; I812-S815 PolarHBondContact O-N 2.71Å; I812-S815 PolarHBondContact O-OG 2.92Å; L813-S815 PolarHBondContact O-N 2.85Å
816	I	85.4	Confident	87.2	Confident	24 Å²	24	59.2 Å²	59.2	12%	0.123	32%	0.318	C	S	.	.			trans	-83.5	123	-179.8	-63.2	173.4	0	0	0	108.8	A652 H656 L813 T818 L823	A652-I816 HydrophobicContact CB-CD1 4.14Å; H656-I816 HydrophobicContact CB-CD1 4.34Å; H656-I816 HydrophobicContact CB-CG1 4.22Å; H656-I816 HydrophobicContact CB-CG2 3.97Å; L813-I816 HydrophobicContact CD2-CD1 4.23Å; L813-I816 WeakPolarHBondContact O-CB 3.36Å; L813-I816 PolarHBondContact O-N 2.79Å; I816-T818 HydrophobicContact CG2-CG2 3.77Å; I816-L823 HydrophobicContact CG2-CB 4.43Å; I816-L823 HydrophobicContact CG2-CD1 4.07Å
817	K	83.2	Confident	87.3	Confident	189 Å²	189	57.7 Å²	57.7	82%	0.822	31%	0.312	S	S	*	.			trans	-122.3	104.8	174.7	-66.6	-175.5	179.4	-174.7	0	108.8
818	T	84.4	Confident	87.3	Confident	42 Å²	42	56.1 Å²	56.1	26%	0.258	30%	0.304	S	S	.	.			trans	-144.1	145.7	-170.7	47.6	0	0	0	0	112.8	I816 N820 L823	I816-T818 HydrophobicContact CG2-CG2 3.77Å; T818-N820 VanDerWaalsContact C-N 3.32Å; T818-L823 HydrophobicContact CG2-CD1 3.85Å
819	I	85.4	Confident	87.2	Confident	86 Å²	86	55.5 Å²	55.5	44%	0.441	30%	0.3	S	S	.	.	S	Bend	trans	-74.4	-27	168.7	-50.9	179.6	0	0	0	110.7	W665 T667	W665-I819 HydrophobicContact CB-CB 4.44Å; W665-I819 HydrophobicContact CE3-CB 4.02Å; W665-I819 HydrophobicContact CE3-CG2 3.97Å; W665-I819 HydrophobicContact CZ3-CG2 4.3Å; W665-I819 WeakPolarHBondContact O-CD1 3.28Å; T667-I819 HydrophobicContact CG2-CD1 3.87Å
820	N	88.8	Confident	87.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.301	C	S	.	.			trans	-50.7	117.9	177.9	-174.1	-21.2	0	0	0	111.5	D659 W665 T818 F822 L823	D659-N820 PolarHBondContact OD2-ND2 3.37Å; W665-N820 HydrophobicContact CD2-CB 3.89Å; W665-N820 HydrophobicContact CG-CB 4.01Å; W665-N820 HydrophobicContact CZ2-CB 4.12Å; W665-N820 PolarHBondContact NE1-ND2 2.82Å; T818-N820 VanDerWaalsContact C-N 3.32Å; N820-F822 VanDerWaalsContact C-N 3.3Å; N820-F822 PolarHBondContact O-N 3.46Å; N820-F822 VanDerWaalsContact OD1-CD2 3.25Å; N820-F822 WeakPolarHBondContact OD1-CD2 3.39Å; N820-F822 PolarHBondContact OD1-N 2.74Å; N820-F822 VanDerWaalsContact OD1-N 3.07Å; N820-L823 HydrophobicContact CB-CD1 4.26Å; N820-L823 HydrophobicContact CB-CG 4.46Å; N820-L823 PolarHBondContact O-N 3.09Å
821	P	88.4	Confident	86.9	Confident	62 Å²	62	58.6 Å²	58.6	40%	0.403	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-68.2	-27.8	-174.7	27.6	-35.2	0	0	0	112.9	M112 W665 L823 Q824	M112-P821 HydrophobicContact CE-CG 4.37Å; W665-P821 VanDerWaalsContact CH2-CD 3.43Å; W665-P821 HydrophobicContact CH2-CG 4.38Å; P821-L823 PolarHBondContact O-N 2.75Å; P821-L823 VanDerWaalsContact O-N 3.13Å; P821-Q824 PolarHBondContact O-N 2.79Å
822	F	87.7	Confident	86.3	Confident	25 Å²	25	58 Å²	58	11%	0.11	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-70.5	-9.3	-177.2	-54.6	-61.7	0	0	0	113.7	F111 M112 Y115 N820 L900 Y903	F111-F822 HydrophobicContact CD1-CE2 4.06Å; F111-F822 HydrophobicContact CD1-CZ 4.31Å; F111-F822 HydrophobicContact CE1-CD2 4.29Å; F111-F822 HydrophobicContact CE1-CE1 4.4Å; F111-F822 AromaticContact CE1-CE2 3.59Å; F111-F822 HydrophobicContact CE1-CE2 3.59Å; F111-F822 AromaticContact CE1-CZ 3.67Å; F111-F822 HydrophobicContact CE1-CZ 3.67Å; M112-F822 HydrophobicContact CE-CE2 3.57Å; M112-F822 HydrophobicContact CE-CZ 4.1Å; M112-F822 HydrophobicContact SD-CE2 4.02Å; M112-F822 HydrophobicContact SD-CZ 3.98Å; Y115-F822 HydrophobicContact CD1-CE1 4.18Å; Y115-F822 HydrophobicContact CD1-CZ 4.16Å; Y115-F822 AromaticContact CD2-CE1 3.79Å; Y115-F822 HydrophobicContact CD2-CE1 3.79Å; Y115-F822 HydrophobicContact CD2-CZ 4.13Å; Y115-F822 HydrophobicContact CE1-CE1 4.03Å; Y115-F822 HydrophobicContact CE1-CZ 4.41Å; Y115-F822 AromaticContact CE2-CE1 3.64Å; Y115-F822 HydrophobicContact CE2-CE1 3.64Å; Y115-F822 HydrophobicContact CE2-CZ 4.4Å; Y115-F822 HydrophobicContact CG-CE1 4.07Å; Y115-F822 HydrophobicContact CG-CZ 4.01Å; Y115-F822 AromaticContact CZ-CE1 3.77Å; N820-F822 VanDerWaalsContact C-N 3.3Å; N820-F822 PolarHBondContact O-N 3.46Å; N820-F822 VanDerWaalsContact OD1-CD2 3.25Å; N820-F822 WeakPolarHBondContact OD1-CD2 3.39Å; N820-F822 PolarHBondContact OD1-N 2.74Å; N820-F822 VanDerWaalsContact OD1-N 3.07Å; F822-L900 HydrophobicContact CB-CD2 3.96Å; F822-L900 WeakPolarHBondContact O-CD2 3.26Å; F822-Y903 AromaticContact CD2-CD2 3.9Å; F822-Y903 HydrophobicContact CD2-CD2 3.9Å; F822-Y903 HydrophobicContact CD2-CE2 4.04Å; F822-Y903 HydrophobicContact CE2-CD2 4.13Å; F822-Y903 HydrophobicContact CE2-CE2 4.23Å
823	L	89.4	Confident	85.4	Confident	18 Å²	18	66.2 Å²	66.2	9%	0.094	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-101.6	-0.9	178.3	-59.4	179.2	0	0	0	113.4	A652 I655 H656 I816 T818 N820 P821 L826 L900	A652-L823 HydrophobicContact CB-CD2 3.88Å; I655-L823 HydrophobicContact CB-CD1 4.46Å; I655-L823 HydrophobicContact CB-CD2 4.2Å; I655-L823 HydrophobicContact CD1-CD2 4.43Å; I655-L823 HydrophobicContact CG2-CD1 3.96Å; I655-L823 HydrophobicContact CG2-CD2 4.17Å; I655-L823 HydrophobicContact CG2-CG 4.33Å; H656-L823 HydrophobicContact CB-CD1 4.38Å; I816-L823 HydrophobicContact CG2-CB 4.43Å; I816-L823 HydrophobicContact CG2-CD1 4.07Å; T818-L823 HydrophobicContact CG2-CD1 3.85Å; N820-L823 HydrophobicContact CB-CD1 4.26Å; N820-L823 HydrophobicContact CB-CG 4.46Å; N820-L823 PolarHBondContact O-N 3.09Å; P821-L823 PolarHBondContact O-N 2.75Å; P821-L823 VanDerWaalsContact O-N 3.13Å; L823-L826 HydrophobicContact CD2-CD1 3.98Å; L823-L900 HydrophobicContact CD2-CD2 4.33Å
824	Q	88	Confident	84.2	Confident	124 Å²	124	68.1 Å²	68.1	58%	0.579	37%	0.373	S	S	*	.	S	Bend	trans	-86.1	148.7	177.8	-55.5	-179.5	17.7	0	0	110.3	P821 L826	P821-Q824 PolarHBondContact O-N 2.79Å; Q824-L826 PolarHBondContact O-N 2.79Å
825	G	85.6	Confident	83.2	Confident	37 Å²	37	68.1 Å²	68.1	38%	0.381	37%	0.372	S	S	.	.	S	Bend	trans	66.7	1.5	178.7	0	0	0	0	0	116.5	T827 D828	G825-T827 PolarHBondContact O-N 2.98Å; G825-D828 WeakPolarHBondContact O-CB 3.37Å; G825-D828 VanDerWaalsContact O-CG 3.31Å; G825-D828 PolarHBondContact O-N 3.42Å; G825-D828 VanDerWaalsContact O-N 3.09Å
826	L	89.3	Confident	82.4	Confident	6 Å²	6	68.6 Å²	68.6	3%	0.031	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-14.9	-175.8	-66	-173	0	0	0	114.6	L648 A652 L813 L823 Q824 D828 V896 L900	L648-L826 HydrophobicContact CD1-CD2 4.49Å; A652-L826 HydrophobicContact CB-CD1 3.6Å; L813-L826 HydrophobicContact CD1-CB 3.89Å; L813-L826 VanDerWaalsContact CD1-O 3.28Å; L813-L826 WeakPolarHBondContact CD1-O 3.29Å; L813-L826 HydrophobicContact CD2-CB 4.31Å; L813-L826 HydrophobicContact CD2-CD1 4.49Å; L823-L826 HydrophobicContact CD2-CD1 3.98Å; Q824-L826 PolarHBondContact O-N 2.79Å; L826-D828 PolarHBondContact O-N 3.46Å; L826-V896 HydrophobicContact CD2-CG1 3.59Å; L826-L900 HydrophobicContact CD1-CD1 3.98Å; L826-L900 HydrophobicContact CD2-CD1 4.45Å
827	T	88.7	Confident	81.8	Confident	42 Å²	42	74.7 Å²	74.7	26%	0.258	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.6	172.5	36	0	0	0	0	113.1	L813 N814 G825 L830	L813-T827 HydrophobicContact CB-CG2 4.22Å; L813-T827 HydrophobicContact CD1-CG2 4.47Å; N814-T827 WeakPolarHBondContact OD1-CG2 3.23Å; G825-T827 PolarHBondContact O-N 2.98Å; T827-L830 VanDerWaalsContact O-CB 3.23Å; T827-L830 WeakPolarHBondContact O-CB 3.45Å; T827-L830 PolarHBondContact O-N 3.43Å
828	D	87.9	Confident	81.4	Confident	98 Å²	98	70.5 Å²	70.5	52%	0.524	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-79.3	-37.7	-159.5	-51.5	-11.1	0	0	0	109	G825 L826 L830 V831	G825-D828 WeakPolarHBondContact O-CB 3.37Å; G825-D828 VanDerWaalsContact O-CG 3.31Å; G825-D828 PolarHBondContact O-N 3.42Å; G825-D828 VanDerWaalsContact O-N 3.09Å; L826-D828 PolarHBondContact O-N 3.46Å; D828-L830 PolarHBondContact O-N 2.94Å; D828-V831 WeakPolarHBondContact O-CB 3.27Å; D828-V831 PolarHBondContact O-N 2.92Å
829	Y	86.4	Confident	80.6	Confident	82 Å²	82	73.8 Å²	73.8	32%	0.322	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-63.8	-7.3	168.4	-48.5	-81.6	0	0	0	114.9	R645 E892 V896	R645-Y829 PolarHBondContact NE-O 2.88Å; Y829-E892 HydrophobicContact CE1-CB 4.38Å; Y829-V896 HydrophobicContact CE1-CG2 3.97Å; Y829-V896 HydrophobicContact CE2-CG1 4.32Å; Y829-V896 HydrophobicContact CE2-CG2 4.1Å
830	L	85.7	Confident	79.9	Confident	9 Å²	9	73.8 Å²	73.8	5%	0.047	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-83.2	-19	169.4	-57.5	-177.9	0	0	0	112.9	R645 V649 A809 A810 L813 T827 D828	R645-L830 HydrophobicContact CB-CD2 3.95Å; R645-L830 HydrophobicContact CG-CD2 4.02Å; R645-L830 VanDerWaalsContact CZ-O 3.29Å; R645-L830 PolarHBondContact NE-O 3.4Å; R645-L830 PolarHBondContact NH2-O 3.18Å; V649-L830 HydrophobicContact CG2-CD1 4.48Å; V649-L830 HydrophobicContact CG2-CD2 4.02Å; A809-L830 HydrophobicContact CB-CD1 3.6Å; A809-L830 HydrophobicContact CB-CD2 4.1Å; A809-L830 HydrophobicContact CB-CG 4.49Å; A810-L830 HydrophobicContact CB-CD1 4.16Å; L813-L830 HydrophobicContact CD1-CD1 3.62Å; L813-L830 HydrophobicContact CD1-CG 4.1Å; L813-L830 HydrophobicContact CG-CD1 4.48Å; T827-L830 VanDerWaalsContact O-CB 3.23Å; T827-L830 WeakPolarHBondContact O-CB 3.45Å; T827-L830 PolarHBondContact O-N 3.43Å; D828-L830 PolarHBondContact O-N 2.94Å
831	V	82	Confident	79.3	Confident	88 Å²	88	79.3 Å²	79.3	53%	0.533	43%	0.43	S	S	.	.	S	Bend	trans	-81.3	146.4	175.6	-173.4	0	0	0	0	109.4	R645 D828 E833	R645-V831 PolarHBondContact NH2-O 3.46Å; D828-V831 WeakPolarHBondContact O-CB 3.27Å; D828-V831 PolarHBondContact O-N 2.92Å; V831-E833 HydrophobicContact CG1-CG 4.47Å
832	D	76.7	Confident	78.6	Confident	86 Å²	86	82.7 Å²	82.7	46%	0.46	44%	0.444	S	S	.	.			trans	-97.8	101.5	165.4	-75.9	-56.3	0	0	0	108.6	K641 R645 G834	K641-D832 WeakPolarHBondContact CD-OD1 3.48Å; K641-D832 VanDerWaalsContact CE-OD1 3.23Å; K641-D832 WeakPolarHBondContact CE-OD1 3.44Å; K641-D832 IonicContact NZ-OD1 3.7Å; K641-D832 PolarHBondContact NZ-OD1 3.32Å; R645-D832 IonicContact CZ-OD1 3.44Å; R645-D832 IonicContact CZ-OD2 3.38Å; R645-D832 IonicContact NH1-OD1 2.76Å; R645-D832 PolarHBondContact NH1-OD1 2.87Å; R645-D832 IonicContact NH1-OD2 3.76Å; R645-D832 PolarHBondContact NH1-OD2 3.22Å; R645-D832 IonicContact NH2-OD1 2.64Å; R645-D832 PolarHBondContact NH2-OD1 3.44Å; R645-D832 IonicContact NH2-OD2 3.4Å; R645-D832 PolarHBondContact NH2-OD2 2.86Å; D832-G834 PolarHBondContact O-N 3.43Å
833	E	68.7	Low	77.4	Confident	192 Å²	192	86.3 Å²	86.3	90%	0.897	46%	0.464	S	S	*	.			trans	-75.7	55.9	169.4	-61.5	-162.7	164.9	0	0	110.7	V831	V831-E833 HydrophobicContact CG1-CG 4.47Å
834	G	62.9	Low	75.9	Confident	53 Å²	53	88 Å²	88	55%	0.546	49%	0.486	S	S	.	.			trans	-91.8	144.9	173.9	0	0	0	0	0	111.1	D832 A836	D832-G834 PolarHBondContact O-N 3.43Å; G834-A836 PolarHBondContact O-N 3.29Å
835	N	66.8	Low	74.4	Confident	107 Å²	107	82.7 Å²	82.7	57%	0.572	46%	0.464	S	S	*	.			trans	-77	61.6	177.6	-151.1	20.3	0	0	0	111.1	E837 E838 E839	N835-E837 PolarHBondContact O-N 2.82Å; N835-E837 VanDerWaalsContact O-N 3.12Å; N835-E838 HydrophobicContact CB-CB 4.15Å; N835-E838 WeakPolarHBondContact ND2-CB 3.28Å; N835-E838 PolarHBondContact ND2-OE2 3.37Å; N835-E838 WeakPolarHBondContact O-CA 3.32Å; N835-E838 WeakPolarHBondContact O-CB 3.35Å; N835-E838 PolarHBondContact O-N 2.99Å; N835-E839 PolarHBondContact O-N 3.37Å; N835-E839 VanDerWaalsContact O-N 3.11Å
836	A	69.5	Low	72.9	Confident	71 Å²	71	88.8 Å²	88.8	59%	0.587	49%	0.485	S	S	*	.	H	α-helix	trans	-62.6	-22.6	-169.7	0	0	0	0	0	113.6	G834 F840	G834-A836 PolarHBondContact O-N 3.29Å; A836-F840 WeakPolarHBondContact O-CB 3.49Å; A836-F840 PolarHBondContact O-N 3.45Å
837	E	73	Confident	71	Confident	151 Å²	151	97.8 Å²	97.8	71%	0.706	53%	0.527	S	S	*	.	H	α-helix	trans	-69.1	-41	170.4	-175.6	168.5	-176.9	0	0	111.7	N835 F840 L841	N835-E837 PolarHBondContact O-N 2.82Å; N835-E837 VanDerWaalsContact O-N 3.12Å; E837-F840 PolarHBondContact O-N 3.11Å; E837-L841 HydrophobicContact CG-CD1 4.2Å; E837-L841 WeakPolarHBondContact O-CB 3.41Å; E837-L841 WeakPolarHBondContact O-CD1 3.43Å; E837-L841 WeakPolarHBondContact O-CG 3.24Å; E837-L841 PolarHBondContact O-N 3.31Å
838	E	74.9	Confident	68.9	Low	102 Å²	102	98.8 Å²	98.8	48%	0.477	54%	0.535	S	S	.	.	H	α-helix	trans	-68	-46.3	176.6	-171.1	-172.1	169	0	0	111.4	N835 F840 L841 L842	N835-E838 HydrophobicContact CB-CB 4.15Å; N835-E838 WeakPolarHBondContact ND2-CB 3.28Å; N835-E838 PolarHBondContact ND2-OE2 3.37Å; N835-E838 WeakPolarHBondContact O-CA 3.32Å; N835-E838 WeakPolarHBondContact O-CB 3.35Å; N835-E838 PolarHBondContact O-N 2.99Å; E838-F840 VanDerWaalsContact C-N 3.33Å; E838-F840 PolarHBondContact O-N 2.94Å; E838-L841 PolarHBondContact O-N 3.05Å; E838-L842 HydrophobicContact CG-CD1 3.9Å; E838-L842 HydrophobicContact CG-CG 4.35Å; E838-L842 WeakPolarHBondContact O-CB 3.38Å; E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.47Å; E838-L842 PolarHBondContact O-N 3.06Å
839	E	66.9	Low	66.5	Low	110 Å²	110	97.3 Å²	97.3	51%	0.514	53%	0.527	S	S	.	.	H	α-helix	trans	-59.3	-43.8	172.7	-83.7	-140.8	123.7	0	0	111.9	N835 L841 L842 L843	N835-E839 PolarHBondContact O-N 3.37Å; N835-E839 VanDerWaalsContact O-N 3.11Å; E839-L841 VanDerWaalsContact C-N 3.28Å; E839-L841 PolarHBondContact O-N 3.2Å; E839-L842 PolarHBondContact O-N 2.92Å; E839-L843 HydrophobicContact CB-CD1 4.5Å; E839-L843 WeakPolarHBondContact O-CB 3.38Å; E839-L843 VanDerWaalsContact O-CD1 3.25Å; E839-L843 WeakPolarHBondContact O-CD1 3.45Å; E839-L843 PolarHBondContact O-N 3.38Å
840	F	70.5	Confident	64	Low	86 Å²	86	98.3 Å²	98.3	38%	0.377	55%	0.546	S	S	.	.	H	α-helix	trans	-59.2	-40	176.4	179.9	-86.8	0	0	0	111.6	A836 E837 E838 G845 M846 I849	A836-F840 WeakPolarHBondContact O-CB 3.49Å; A836-F840 PolarHBondContact O-N 3.45Å; E837-F840 PolarHBondContact O-N 3.11Å; E838-F840 VanDerWaalsContact C-N 3.33Å; E838-F840 PolarHBondContact O-N 2.94Å; F840-G845 WeakPolarHBondContact O-CA 3.35Å; F840-G845 PolarHBondContact O-N 2.89Å; F840-M846 HydrophobicContact CE2-CB 4.41Å; F840-M846 HydrophobicContact CZ-CB 3.9Å; F840-I849 HydrophobicContact CD2-CD1 3.37Å; F840-I849 HydrophobicContact CE2-CD1 3.74Å; F840-I849 HydrophobicContact CG-CD1 4.4Å
841	L	76.3	Confident	61.6	Low	117 Å²	117	106.5 Å²	106.5	61%	0.613	58%	0.581	S	S	*	*	H	α-helix	trans	-69.2	-46.3	175.2	-71	166.2	0	0	0	112	E837 E838 E839 L843 G844	E837-L841 HydrophobicContact CG-CD1 4.2Å; E837-L841 WeakPolarHBondContact O-CB 3.41Å; E837-L841 WeakPolarHBondContact O-CD1 3.43Å; E837-L841 WeakPolarHBondContact O-CG 3.24Å; E837-L841 PolarHBondContact O-N 3.31Å; E838-L841 PolarHBondContact O-N 3.05Å; E839-L841 VanDerWaalsContact C-N 3.28Å; E839-L841 PolarHBondContact O-N 3.2Å; L841-L843 PolarHBondContact O-N 2.97Å; L841-G844 PolarHBondContact O-N 3.4Å
842	L	73.5	Confident	59.1	Low	132 Å²	132	110.2 Å²	110.2	69%	0.691	59%	0.593	S	S	*	*	H	α-helix	trans	-64.8	-36.5	-179.8	-72.3	171.4	0	0	0	112.9	E838 E839 G844	E838-L842 HydrophobicContact CG-CD1 3.9Å; E838-L842 HydrophobicContact CG-CG 4.35Å; E838-L842 WeakPolarHBondContact O-CB 3.38Å; E838-L842 VanDerWaalsContact O-CG 3.29Å; E838-L842 WeakPolarHBondContact O-CG 3.47Å; E838-L842 PolarHBondContact O-N 3.06Å; E839-L842 PolarHBondContact O-N 2.92Å; L842-G844 PolarHBondContact O-N 2.73Å
843	L	62.7	Low	56.8	Low	101 Å²	101	110.7 Å²	110.7	53%	0.529	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	8.6	173.7	-81.9	79.9	0	0	0	113.3	E839 L841 S848	E839-L843 HydrophobicContact CB-CD1 4.5Å; E839-L843 WeakPolarHBondContact O-CB 3.38Å; E839-L843 VanDerWaalsContact O-CD1 3.25Å; E839-L843 WeakPolarHBondContact O-CD1 3.45Å; E839-L843 PolarHBondContact O-N 3.38Å; L841-L843 PolarHBondContact O-N 2.97Å; L843-S848 WeakPolarHBondContact O-CB 3.24Å; L843-S848 PolarHBondContact O-OG 3.49Å
844	G	58.2	Low	54.9	Low	54 Å²	54	107.8 Å²	107.8	56%	0.557	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.6	21.2	171	0	0	0	0	0	115.6	L841 L842	L841-G844 PolarHBondContact O-N 3.4Å; L842-G844 PolarHBondContact O-N 2.73Å
845	G	56.2	Low	53.3	Low	12 Å²	12	108.9 Å²	108.9	12%	0.124	60%	0.601	C	S	.	*	G	3₁₀ helix	trans	68.4	-157.5	174.5	0	0	0	0	0	114.6	F840 Q847 S848	F840-G845 WeakPolarHBondContact O-CA 3.35Å; F840-G845 PolarHBondContact O-N 2.89Å; G845-Q847 PolarHBondContact O-N 3.17Å; G845-S848 PolarHBondContact O-N 3.31Å; G845-S848 PolarHBondContact O-OG 3.42Å
846	M	53.6	Low	51.5	Low	166 Å²	166	111.9 Å²	111.9	82%	0.818	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-64.3	8.3	-168.1	-155.2	154	59.5	0	0	116.2	F840	F840-M846 HydrophobicContact CE2-CB 4.41Å; F840-M846 HydrophobicContact CZ-CB 3.9Å
847	Q	50.6	Low	49.7	Very low	195 Å²	195	114.2 Å²	114.2	91%	0.911	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-101.2	-20.3	178.4	-59.8	-173	31.6	0	0	113.7	G845	G845-Q847 PolarHBondContact O-N 3.17Å
848	S	43.8	Very low	47.7	Very low	63 Å²	63	117.5 Å²	117.5	44%	0.441	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.7	-23.5	176.2	56.8	0	0	0	0	113.2	L843 G845 S850	L843-S848 WeakPolarHBondContact O-CB 3.24Å; L843-S848 PolarHBondContact O-OG 3.49Å; G845-S848 PolarHBondContact O-N 3.31Å; G845-S848 PolarHBondContact O-OG 3.42Å; S848-S850 PolarHBondContact O-N 3.09Å; S848-S850 VanDerWaalsContact O-N 3.12Å
849	I	37.8	Very low	45.4	Very low	66 Å²	66	115.9 Å²	115.9	34%	0.338	65%	0.645	S	S	.	*			trans	-90.4	80.9	-168.4	-46	-174.2	0	0	0	111.7	F840 F851	F840-I849 HydrophobicContact CD2-CD1 3.37Å; F840-I849 HydrophobicContact CE2-CD1 3.74Å; F840-I849 HydrophobicContact CG-CD1 4.4Å; I849-F851 HydrophobicContact CG2-CD2 3.33Å; I849-F851 HydrophobicContact CG2-CE2 3.57Å; I849-F851 HydrophobicContact CG2-CG 3.96Å; I849-F851 HydrophobicContact CG2-CZ 4.35Å; I849-F851 PolarHBondContact O-N 3.06Å
850	S	33.3	Very low	43.9	Very low	104 Å²	104	116.6 Å²	116.6	73%	0.727	66%	0.657	S	S	*	*			trans	-74.2	79.2	160.6	67.7	0	0	0	0	109.9	S848 Q852	S848-S850 PolarHBondContact O-N 3.09Å; S848-S850 VanDerWaalsContact O-N 3.12Å; S850-Q852 VanDerWaalsContact C-N 3.32Å; S850-Q852 PolarHBondContact O-N 3.12Å
851	F	35.2	Very low	41.9	Very low	181 Å²	181	120.2 Å²	120.2	79%	0.794	68%	0.68	S	S	*	*			trans	-58.8	95.4	167.9	-96.9	-64.6	0	0	0	109.2	I849 P853	I849-F851 HydrophobicContact CG2-CD2 3.33Å; I849-F851 HydrophobicContact CG2-CE2 3.57Å; I849-F851 HydrophobicContact CG2-CG 3.96Å; I849-F851 HydrophobicContact CG2-CZ 4.35Å; I849-F851 PolarHBondContact O-N 3.06Å; F851-P853 WeakPolarHBondContact O-CD 3.15Å
852	Q	30.9	Very low	40.1	Very low	165 Å²	165	121.9 Å²	121.9	77%	0.771	69%	0.688	S	S	*	*			trans	-83.8	101.8	161	-77.1	-72.5	-42.4	0	0	106.5	S850 S854	S850-Q852 VanDerWaalsContact C-N 3.32Å; S850-Q852 PolarHBondContact O-N 3.12Å; Q852-S854 PolarHBondContact O-N 2.86Å; Q852-S854 VanDerWaalsContact O-N 3.14Å
853	P	28.2	Very low	38.4	Very low	97 Å²	97	122.4 Å²	122.4	63%	0.63	69%	0.691	S	S	*	*			trans	-65.5	119.3	178	28.5	-34.4	0	0	0	108.5	F851 S855	F851-P853 WeakPolarHBondContact O-CD 3.15Å; P853-S855 PolarHBondContact O-N 3.29Å
854	S	27.3	Very low	37	Very low	130 Å²	130	125.7 Å²	125.7	91%	0.909	71%	0.709	S	S	*	*			trans	-74.4	38.8	178.7	49.5	0	0	0	0	112.7	Q852	Q852-S854 PolarHBondContact O-N 2.86Å; Q852-S854 VanDerWaalsContact O-N 3.14Å
855	S	30.4	Very low	36.2	Very low	76 Å²	76	128.2 Å²	128.2	53%	0.531	72%	0.718	S	S	.	*			trans	-112.8	72.8	179.3	54.3	0	0	0	0	110.5	P853 T857	P853-S855 PolarHBondContact O-N 3.29Å; S855-T857 PolarHBondContact O-N 3.13Å
856	I	29.3	Very low	35.4	Very low	170 Å²	170	136.7 Å²	136.7	87%	0.872	76%	0.755	S	S	*	*			trans	-68.4	81.8	170.4	-57.6	-177.7	0	0	0	108.9
857	T	32.1	Very low	34.6	Very low	121 Å²	121	134.6 Å²	134.6	74%	0.742	75%	0.751	S	S	*	*			trans	-62.2	145.4	169.1	46.8	0	0	0	0	109.7	S855 G859	S855-T857 PolarHBondContact O-N 3.13Å; T857-G859 PolarHBondContact O-N 3.12Å; T857-G859 VanDerWaalsContact O-N 3.08Å
858	K	29.8	Very low	33.7	Very low	219 Å²	219	133.8 Å²	133.8	95%	0.952	75%	0.749	S	S	*	*	S	Bend	trans	-78	102.6	-164.9	-70.4	169.8	-176.8	161.1	0	112
859	G	27.9	Very low	33.3	Very low	68 Å²	68	137.6 Å²	137.6	70%	0.701	76%	0.764	S	S	*	*			trans	105.4	99.6	147.3	0	0	0	0	0	116.6	T857	T857-G859 PolarHBondContact O-N 3.12Å; T857-G859 VanDerWaalsContact O-N 3.08Å
860	T	34.1	Very low	33.2	Very low	125 Å²	125	140.6 Å²	140.6	77%	0.767	78%	0.781	S	S	*	*			trans	-142.4	133.9	144.9	-64.1	0	0	0	0	107.5	I862	T860-I862 HydrophobicContact CG2-CD1 4.33Å; T860-I862 HydrophobicContact CG2-CG1 3.99Å
861	L	29.6	Very low	33.2	Very low	163 Å²	163	144.6 Å²	144.6	85%	0.853	79%	0.788	S	S	*	*			trans	-85.3	123.8	170.4	-71.2	86.2	0	0	0	109.2
862	I	37.8	Very low	33	Very low	152 Å²	152	140.1 Å²	140.1	78%	0.779	78%	0.779	S	S	*	*			trans	-130.2	145.2	165.8	-57.7	-174.8	0	0	0	108.2	T860	T860-I862 HydrophobicContact CG2-CD1 4.33Å; T860-I862 HydrophobicContact CG2-CG1 3.99Å
863	N	38.3	Very low	33.2	Very low	143 Å²	143	137 Å²	137	77%	0.765	78%	0.775	S	S	*	*			trans	-91.3	158.9	-155	-62.3	-53.1	0	0	0	115.1	S865	N863-S865 PolarHBondContact O-N 3.08Å
864	N	32.7	Very low	33.4	Very low	170 Å²	170	139.6 Å²	139.6	91%	0.909	78%	0.783	S	S	*	*	S	Bend	trans	-73.3	97.3	-175.3	-60.5	-49	0	0	0	113.8
865	S	41.4	Very low	33.6	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	78%	0.775	S	S	*	*			trans	-163.3	46.8	162.3	67.6	0	0	0	0	116.8	N863	N863-S865 PolarHBondContact O-N 3.08Å
866	Q	39.8	Very low	33.6	Very low	190 Å²	190	145.5 Å²	145.5	89%	0.888	79%	0.793	S	S	*	*			trans	-153.1	-5	174	-118.7	157.1	28.7	0	0	118.9	M868	Q866-M868 PolarHBondContact O-N 3.49Å
867	V	36.6	Very low	33.7	Very low	121 Å²	121	146.5 Å²	146.5	73%	0.733	79%	0.794	S	S	*	*			trans	-86.5	77.7	-176.6	-170.6	0	0	0	0	111.7	L870	V867-L870 HydrophobicContact CG1-CD1 4.35Å
868	M	32.2	Very low	33.6	Very low	178 Å²	178	148.9 Å²	148.9	88%	0.877	79%	0.794	S	S	*	*			trans	-133.8	39.8	174.6	-75.8	-70	-74.6	0	0	112.2	Q866	Q866-M868 PolarHBondContact O-N 3.49Å
869	N	34.3	Very low	33.8	Very low	143 Å²	143	144.6 Å²	144.6	77%	0.765	78%	0.781	S	S	*	*	S	Bend	trans	-158.3	27.9	171.6	-119.9	-12.1	0	0	0	115.8
870	L	35.2	Very low	33.9	Very low	130 Å²	130	146 Å²	146	68%	0.681	77%	0.772	S	S	*	*			trans	-114.9	43	179.6	-69.6	175.8	0	0	0	112.8	V867	V867-L870 HydrophobicContact CG1-CD1 4.35Å
871	Q	33.2	Very low	34.3	Very low	187 Å²	187	145.6 Å²	145.6	87%	0.874	76%	0.764	S	S	*	*	S	Bend	trans	-119.7	5.4	-178.6	-104.1	-179.4	-20.3	0	0	114.5
872	S	32.2	Very low	34.7	Very low	88 Å²	88	144.1 Å²	144.1	62%	0.615	76%	0.762	S	S	*	*	S	Bend	trans	-111.2	-5.5	-173.1	43	0	0	0	0	115.2
873	S	35	Very low	34.6	Very low	99 Å²	99	139.5 Å²	139.5	69%	0.692	74%	0.743	S	S	*	*	S	Bend	trans	-100.3	-16	175	52.5	0	0	0	0	114.1	Q875	S873-Q875 PolarHBondContact O-N 3.3Å
874	L	33.1	Very low	34.5	Very low	152 Å²	152	138.6 Å²	138.6	80%	0.796	75%	0.745	S	S	*	*			trans	-84.3	48	177.8	-72	167.3	0	0	0	112.2
875	Q	31	Very low	34.5	Very low	155 Å²	155	138.7 Å²	138.7	72%	0.724	74%	0.738	S	S	*	*	S	Bend	trans	-114	93.5	176.6	-82.8	-172.6	-35.4	0	0	111.8	S873 Q877	S873-Q875 PolarHBondContact O-N 3.3Å; Q875-Q877 PolarHBondContact O-N 3.4Å
876	L	29.7	Very low	34.4	Very low	175 Å²	175	140.9 Å²	140.9	92%	0.916	73%	0.731	S	S	*	*			trans	37.7	57.1	145.9	-71.7	163.6	0	0	0	116.1	K878	L876-K878 PolarHBondContact O-N 3.41Å
877	Q	31.2	Very low	34.5	Very low	190 Å²	190	139.5 Å²	139.5	89%	0.888	72%	0.724	S	S	*	*			trans	-59.3	126.9	149.9	-77.4	-175.7	-15.6	0	0	107.4	Q875	Q875-Q877 PolarHBondContact O-N 3.4Å
878	K	31.1	Very low	34.9	Very low	171 Å²	171	137.3 Å²	137.3	74%	0.743	71%	0.714	S	S	*	*			trans	-62	142.4	167.4	-67.4	174.2	-179.3	172.7	0	107.7	L876 D880	L876-K878 PolarHBondContact O-N 3.41Å; K878-D880 WeakPolarHBondContact CB-OD1 3.25Å; K878-D880 PolarHBondContact O-N 3.44Å
879	L	32.4	Very low	35.8	Very low	129 Å²	129	132.9 Å²	132.9	68%	0.675	69%	0.694	S	S	*	*			trans	-72.3	81.2	159.7	-67	170	0	0	0	107.3	I881	L879-I881 PolarHBondContact O-N 3.07Å; L879-I881 VanDerWaalsContact O-N 3.15Å
880	D	31.3	Very low	37	Very low	98 Å²	98	128.1 Å²	128.1	52%	0.524	67%	0.669	S	S	.	*			trans	-74.3	98.1	166.9	-75.1	-13.1	0	0	0	106.5	K878 T882 S883	K878-D880 WeakPolarHBondContact CB-OD1 3.25Å; K878-D880 PolarHBondContact O-N 3.44Å; D880-T882 PolarHBondContact O-N 3.05Å; D880-S883 PolarHBondContact O-N 3.07Å; D880-S883 PolarHBondContact O-OG 3.11Å
881	I	42.1	Very low	39	Very low	116 Å²	116	125.2 Å²	125.2	60%	0.595	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	23.1	-173	-64.1	152.5	0	0	0	112.2	L879	L879-I881 PolarHBondContact O-N 3.07Å; L879-I881 VanDerWaalsContact O-N 3.15Å
882	T	37.9	Very low	41.5	Very low	132 Å²	132	122.8 Å²	122.8	81%	0.81	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.6	10.1	-174.5	53.9	0	0	0	0	112.6	D880	D880-T882 PolarHBondContact O-N 3.05Å
883	S	34.9	Very low	44.2	Very low	56 Å²	56	118.7 Å²	118.7	39%	0.392	62%	0.619	S	S	.	*			trans	-80.2	137.4	171.9	62.2	0	0	0	0	111.4	D880 F885	D880-S883 PolarHBondContact O-N 3.07Å; D880-S883 PolarHBondContact O-OG 3.11Å; S883-F885 PolarHBondContact O-N 3.37Å
884	P	36.6	Very low	46.8	Very low	124 Å²	124	115.7 Å²	115.7	81%	0.805	60%	0.595	S	S	*	*	S	Bend	trans	-63.8	-2.6	-178.8	-25.2	35.5	0	0	0	117.3	Y886	P884-Y886 PolarHBondContact O-N 3.33Å
885	F	33.4	Very low	49.5	Very low	172 Å²	172	110.2 Å²	110.2	75%	0.754	57%	0.568	S	S	*	*			trans	-75.3	21.5	-179.5	-89.9	-82.5	0	0	0	115.2	S883	S883-F885 PolarHBondContact O-N 3.37Å
886	Y	39.8	Very low	52.4	Low	152 Å²	152	103.8 Å²	103.8	60%	0.596	54%	0.539	S	S	*	.	S	Bend	trans	-104.6	86.7	157.6	-76.4	-75.4	0	0	0	106.8	P884	P884-Y886 PolarHBondContact O-N 3.33Å
887	E	40.7	Very low	55.4	Low	162 Å²	162	95.5 Å²	95.5	76%	0.757	50%	0.496	S	S	*	.			trans	-54.2	147.9	179.3	-67.7	166.3	104.5	0	0	111.4
888	S	46.7	Very low	58.4	Low	75 Å²	75	86.5 Å²	86.5	52%	0.524	45%	0.454	S	S	.	.			trans	-11.9	129.6	-175.3	41.9	0	0	0	0	118.2	D890	S888-D890 WeakPolarHBondContact CB-OD1 3.4Å; S888-D890 PolarHBondContact O-N 3.33Å; S888-D890 PolarHBondContact OG-OD1 3.4Å
889	D	51	Low	61.3	Low	85 Å²	85	81.5 Å²	81.5	46%	0.455	43%	0.43	S	S	.	.			trans	-61	91.5	136.6	-82.3	-57.9	0	0	0	107.4	R639 S891	R639-D889 VanDerWaalsContact CZ-CG 3.43Å; R639-D889 IonicContact CZ-OD1 3.74Å; R639-D889 IonicContact CZ-OD2 2.74Å; R639-D889 IonicContact NE-OD1 2.99Å; R639-D889 PolarHBondContact NE-OD1 3.06Å; R639-D889 IonicContact NH1-OD1 2.69Å; R639-D889 IonicContact NH1-OD2 3.88Å; R639-D889 PolarHBondContact NH1-OD2 2.89Å; R639-D889 IonicContact NH2-OD1 3.2Å; R639-D889 PolarHBondContact NH2-OD1 2.72Å; R639-D889 IonicContact NH2-OD2 2.67Å; R639-D889 PolarHBondContact NH2-OD2 3.3Å; D889-S891 PolarHBondContact O-N 3.22Å
890	D	59.3	Low	64.3	Low	43 Å²	43	75.5 Å²	75.5	23%	0.23	40%	0.399	C	S	.	.			trans	-62.7	83.3	165.4	-85.3	61.9	0	0	0	108.2	K641 S888 E892 L893 L894	K641-D890 WeakPolarHBondContact CE-OD1 3.48Å; K641-D890 WeakPolarHBondContact CE-OD2 3.42Å; K641-D890 VanDerWaalsContact NZ-CG 3.29Å; K641-D890 IonicContact NZ-OD1 3.76Å; K641-D890 PolarHBondContact NZ-OD1 3.25Å; K641-D890 IonicContact NZ-OD2 2.9Å; K641-D890 PolarHBondContact NZ-OD2 2.9Å; S888-D890 WeakPolarHBondContact CB-OD1 3.4Å; S888-D890 PolarHBondContact O-N 3.33Å; S888-D890 PolarHBondContact OG-OD1 3.4Å; D890-E892 PolarHBondContact O-N 3.44Å; D890-L893 HydrophobicContact CB-CB 3.9Å; D890-L893 HydrophobicContact CB-CD2 4.46Å; D890-L893 PolarHBondContact O-N 2.94Å; D890-L894 WeakPolarHBondContact O-CG 3.43Å; D890-L894 PolarHBondContact O-N 3.18Å; D890-L894 VanDerWaalsContact O-N 3.08Å
891	S	76	Confident	67.3	Low	68 Å²	68	71 Å²	71	48%	0.476	38%	0.375	S	S	.	.	H	α-helix	trans	-53.6	-42.8	-178.6	48.5	0	0	0	0	111	D889 L894 V895	D889-S891 PolarHBondContact O-N 3.22Å; S891-L894 PolarHBondContact O-N 2.86Å; S891-V895 WeakPolarHBondContact O-CB 3.46Å; S891-V895 VanDerWaalsContact O-CG2 3.24Å; S891-V895 WeakPolarHBondContact O-CG2 3.4Å; S891-V895 PolarHBondContact O-N 2.73Å
892	E	86	Confident	69.8	Low	136 Å²	136	65.5 Å²	65.5	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-51.1	179.8	-60.5	-179	-169.3	0	0	112.5	Y829 D890 L894 V895 V896	Y829-E892 HydrophobicContact CE1-CB 4.38Å; D890-E892 PolarHBondContact O-N 3.44Å; E892-L894 VanDerWaalsContact C-N 3.25Å; E892-L894 PolarHBondContact O-N 3.07Å; E892-V895 PolarHBondContact O-N 3.49Å; E892-V896 WeakPolarHBondContact O-CG2 3.49Å; E892-V896 PolarHBondContact O-N 2.86Å
893	L	89.4	Confident	72.5	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-57.8	-39.2	175.5	171.1	62.9	0	0	0	111.6	K641 A644 R645 L648 D890 L897	K641-L893 HydrophobicContact CG-CD2 3.84Å; A644-L893 HydrophobicContact CB-CD2 3.77Å; A644-L893 HydrophobicContact CB-CG 4.17Å; R645-L893 HydrophobicContact CG-CD1 4.39Å; R645-L893 HydrophobicContact CG-CD2 4.02Å; L648-L893 HydrophobicContact CD1-CD1 4.49Å; L648-L893 HydrophobicContact CD2-CD1 3.98Å; D890-L893 HydrophobicContact CB-CB 3.9Å; D890-L893 HydrophobicContact CB-CD2 4.46Å; D890-L893 PolarHBondContact O-N 2.94Å; L893-L897 VanDerWaalsContact O-CB 3.27Å; L893-L897 WeakPolarHBondContact O-CB 3.39Å; L893-L897 PolarHBondContact O-N 3.07Å
894	L	89.1	Confident	75.3	Confident	35 Å²	35	56.6 Å²	56.6	18%	0.183	29%	0.29	C	S	.	.	H	α-helix	trans	-73.3	-37.5	178	-69	175.6	0	0	0	112.6	A644 D890 S891 E892 L897 D898	A644-L894 HydrophobicContact CB-CD2 4.21Å; D890-L894 WeakPolarHBondContact O-CG 3.43Å; D890-L894 PolarHBondContact O-N 3.18Å; D890-L894 VanDerWaalsContact O-N 3.08Å; S891-L894 PolarHBondContact O-N 2.86Å; E892-L894 VanDerWaalsContact C-N 3.25Å; E892-L894 PolarHBondContact O-N 3.07Å; L894-L897 PolarHBondContact O-N 3.11Å; L894-D898 VanDerWaalsContact O-CB 3.32Å; L894-D898 WeakPolarHBondContact O-CB 3.45Å; L894-D898 PolarHBondContact O-N 3.09Å
895	V	90.3	Very high	78.1	Confident	37 Å²	37	50.9 Å²	50.9	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-43.6	174.5	164.1	0	0	0	0	111.2	S891 E892 D898 R899	S891-V895 WeakPolarHBondContact O-CB 3.46Å; S891-V895 VanDerWaalsContact O-CG2 3.24Å; S891-V895 WeakPolarHBondContact O-CG2 3.4Å; S891-V895 PolarHBondContact O-N 2.73Å; E892-V895 PolarHBondContact O-N 3.49Å; V895-D898 PolarHBondContact O-N 3.2Å; V895-R899 WeakPolarHBondContact O-CG 3.22Å; V895-R899 PolarHBondContact O-N 3.03Å
896	V	91.7	Very high	80.9	Confident	20 Å²	20	42.8 Å²	42.8	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-65.7	-43.9	176.1	177.5	0	0	0	0	110.6	L648 L826 Y829 E892 D898 R899 L900	L648-V896 HydrophobicContact CD1-CG1 3.96Å; L826-V896 HydrophobicContact CD2-CG1 3.59Å; Y829-V896 HydrophobicContact CE1-CG2 3.97Å; Y829-V896 HydrophobicContact CE2-CG1 4.32Å; Y829-V896 HydrophobicContact CE2-CG2 4.1Å; E892-V896 WeakPolarHBondContact O-CG2 3.49Å; E892-V896 PolarHBondContact O-N 2.86Å; V896-D898 VanDerWaalsContact C-N 3.31Å; V896-D898 PolarHBondContact O-N 2.64Å; V896-R899 PolarHBondContact O-N 3.48Å; V896-L900 WeakPolarHBondContact O-CG 3.28Å; V896-L900 PolarHBondContact O-N 3.12Å; V896-L900 VanDerWaalsContact O-N 3.07Å
897	L	93.2	Very high	83.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-59.1	-40.9	173.5	178.1	60	0	0	0	112.2	H647 L648 A651 L893 L894 L900 I901	H647-L897 HydrophobicContact CB-CD1 3.96Å; H647-L897 HydrophobicContact CB-CD2 3.98Å; L648-L897 HydrophobicContact CD1-CB 4.24Å; A651-L897 HydrophobicContact CB-CD1 4.45Å; L893-L897 VanDerWaalsContact O-CB 3.27Å; L893-L897 WeakPolarHBondContact O-CB 3.39Å; L893-L897 PolarHBondContact O-N 3.07Å; L894-L897 PolarHBondContact O-N 3.11Å; L897-L900 PolarHBondContact O-N 3.23Å; L897-I901 HydrophobicContact CD1-CD1 3.91Å; L897-I901 HydrophobicContact CD1-CG1 4.28Å; L897-I901 HydrophobicContact CG-CD1 3.9Å; L897-I901 VanDerWaalsContact O-CG1 3.31Å; L897-I901 WeakPolarHBondContact O-CG1 3.48Å; L897-I901 PolarHBondContact O-N 3.43Å
898	D	93.8	Very high	85.9	Confident	2 Å²	2	27.8 Å²	27.8	1%	0.011	15%	0.152	C	C	.	.	H	α-helix	trans	-67.9	-42.1	179	-75.3	-11.4	0	0	0	112.2	H124 L125 L894 V895 V896 L900 I901 L902 R934	H124-D898 WeakPolarHBondContact CA-OD2 3.4Å; L125-D898 WeakPolarHBondContact CB-OD1 3.29Å; L125-D898 HydrophobicContact CD1-CB 4.1Å; L125-D898 HydrophobicContact CG-CB 3.98Å; L125-D898 PolarHBondContact N-OD2 3.42Å; L894-D898 VanDerWaalsContact O-CB 3.32Å; L894-D898 WeakPolarHBondContact O-CB 3.45Å; L894-D898 PolarHBondContact O-N 3.09Å; V895-D898 PolarHBondContact O-N 3.2Å; V896-D898 VanDerWaalsContact C-N 3.31Å; V896-D898 PolarHBondContact O-N 2.64Å; D898-L900 VanDerWaalsContact C-N 3.32Å; D898-L900 PolarHBondContact O-N 3.43Å; D898-I901 PolarHBondContact O-N 2.93Å; D898-L902 WeakPolarHBondContact O-CB 3.47Å; D898-L902 VanDerWaalsContact O-CG 3.29Å; D898-L902 WeakPolarHBondContact O-CG 3.37Å; D898-L902 PolarHBondContact O-N 2.97Å; D898-R934 VanDerWaalsContact CG-NH2 3.29Å; D898-R934 IonicContact OD1-CZ 3.81Å; D898-R934 VanDerWaalsContact OD1-CZ 3.26Å; D898-R934 IonicContact OD1-NH1 2.8Å; D898-R934 PolarHBondContact OD1-NH1 3.15Å; D898-R934 IonicContact OD1-NH2 3.94Å; D898-R934 PolarHBondContact OD1-NH2 3.08Å; D898-R934 IonicContact OD2-CZ 2.72Å; D898-R934 IonicContact OD2-NH1 2.85Å; D898-R934 IonicContact OD2-NH2 3.17Å; D898-R934 PolarHBondContact OD2-NH2 3.41Å
899	R	92.6	Very high	88.1	Confident	65 Å²	65	24.4 Å²	24.4	25%	0.245	13%	0.128	C	C	.	.	H	α-helix	trans	-58.2	-41.7	172.6	-73.2	169.2	172.3	-178.8	-2.9	111.7	D121 V895 V896 L902 Y903	D121-R899 IonicContact OD1-CZ 3.19Å; D121-R899 IonicContact OD1-NE 2.69Å; D121-R899 IonicContact OD1-NH2 3.25Å; D121-R899 PolarHBondContact OD1-NH2 3.26Å; V895-R899 WeakPolarHBondContact O-CG 3.22Å; V895-R899 PolarHBondContact O-N 3.03Å; V896-R899 PolarHBondContact O-N 3.48Å; R899-L902 PolarHBondContact O-N 3.18Å; R899-Y903 PolarHBondContact O-N 2.79Å
900	L	94.3	Very high	90	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-66.6	-39.2	174.4	-65.1	-175.4	0	0	0	113.1	L648 A651 A652 I655 F822 L823 L826 V896 L897 D898 Y903 L904	L648-L900 HydrophobicContact CD1-CD1 3.81Å; L648-L900 HydrophobicContact CG-CD1 4.49Å; A651-L900 HydrophobicContact CB-CB 4.26Å; A651-L900 HydrophobicContact CB-CD1 4.33Å; A652-L900 HydrophobicContact CB-CD1 4.47Å; I655-L900 HydrophobicContact CD1-CB 3.91Å; I655-L900 HydrophobicContact CD1-CD2 3.73Å; I655-L900 HydrophobicContact CD1-CG 4.3Å; F822-L900 HydrophobicContact CB-CD2 3.96Å; F822-L900 WeakPolarHBondContact O-CD2 3.26Å; L823-L900 HydrophobicContact CD2-CD2 4.33Å; L826-L900 HydrophobicContact CD1-CD1 3.98Å; L826-L900 HydrophobicContact CD2-CD1 4.45Å; V896-L900 WeakPolarHBondContact O-CG 3.28Å; V896-L900 PolarHBondContact O-N 3.12Å; V896-L900 VanDerWaalsContact O-N 3.07Å; L897-L900 PolarHBondContact O-N 3.23Å; D898-L900 VanDerWaalsContact C-N 3.32Å; D898-L900 PolarHBondContact O-N 3.43Å; L900-Y903 PolarHBondContact O-N 3.22Å; L900-L904 PolarHBondContact O-N 3.21Å
901	I	94.7	Very high	91.6	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.015	10%	0.097	C	C	.	.	H	α-helix	trans	-70.1	-36.6	177.9	-68.4	169.7	0	0	0	111	L125 L897 D898 L904 R905 F912 Y913	L125-I901 HydrophobicContact CD1-CB 3.73Å; L125-I901 HydrophobicContact CD1-CD1 4.49Å; L125-I901 HydrophobicContact CD1-CG2 3.47Å; L125-I901 VanDerWaalsContact CD1-CG2 3.47Å; L897-I901 HydrophobicContact CD1-CD1 3.91Å; L897-I901 HydrophobicContact CD1-CG1 4.28Å; L897-I901 HydrophobicContact CG-CD1 3.9Å; L897-I901 VanDerWaalsContact O-CG1 3.31Å; L897-I901 WeakPolarHBondContact O-CG1 3.48Å; L897-I901 PolarHBondContact O-N 3.43Å; D898-I901 PolarHBondContact O-N 2.93Å; I901-L904 PolarHBondContact O-N 3.36Å; I901-R905 WeakPolarHBondContact O-CB 3.49Å; I901-R905 PolarHBondContact O-N 2.76Å; I901-F912 HydrophobicContact CD1-CB 4.37Å; I901-F912 HydrophobicContact CD1-CD1 3.63Å; I901-F912 HydrophobicContact CD1-CE1 4.16Å; I901-F912 HydrophobicContact CD1-CG 4.12Å; I901-F912 HydrophobicContact CG1-CB 3.98Å; I901-F912 HydrophobicContact CG1-CD1 3.94Å; I901-F912 HydrophobicContact CG1-CG 3.9Å; I901-F912 HydrophobicContact CG2-CB 3.95Å; I901-Y913 HydrophobicContact CD1-CE1 4.23Å; I901-Y913 HydrophobicContact CD1-CE2 3.72Å; I901-Y913 WeakPolarHBondContact CD1-OH 3.37Å
902	L	94.3	Very high	92.4	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-65.2	-41.1	172.8	-72.5	165.6	0	0	0	111.6	F111 F120 L123 L125 L136 D898 R899 R905 I906	F111-L902 HydrophobicContact CE2-CB 4.14Å; F120-L902 HydrophobicContact CD1-CD1 3.81Å; F120-L902 HydrophobicContact CE1-CD1 4.34Å; F120-L902 HydrophobicContact CG-CD1 4.38Å; L123-L902 HydrophobicContact CD2-CD1 3.82Å; L123-L902 HydrophobicContact CD2-CD2 4.46Å; L125-L902 HydrophobicContact CD1-CG 4.42Å; L125-L902 HydrophobicContact CD2-CD2 4.18Å; L125-L902 HydrophobicContact CD2-CG 4.44Å; L136-L902 HydrophobicContact CD2-CD2 3.96Å; D898-L902 WeakPolarHBondContact O-CB 3.47Å; D898-L902 VanDerWaalsContact O-CG 3.29Å; D898-L902 WeakPolarHBondContact O-CG 3.37Å; D898-L902 PolarHBondContact O-N 2.97Å; R899-L902 PolarHBondContact O-N 3.18Å; L902-R905 PolarHBondContact O-N 3.22Å; L902-R905 VanDerWaalsContact O-N 3.16Å; L902-I906 HydrophobicContact CB-CD1 4.47Å; L902-I906 WeakPolarHBondContact O-CB 3.41Å; L902-I906 WeakPolarHBondContact O-CG1 3.42Å; L902-I906 PolarHBondContact O-N 3.24Å
903	Y	95.3	Very high	92.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57.4	-50.5	171.9	-172.8	-87.1	0	0	0	111.4	L108 F111 I655 D659 W665 F822 R899 L900 R905 I906 V907 H908	L108-Y903 HydrophobicContact CD1-CE2 3.6Å; F111-Y903 AromaticContact CD1-CD2 3.76Å; F111-Y903 HydrophobicContact CD1-CD2 3.76Å; F111-Y903 HydrophobicContact CD1-CE2 4.3Å; F111-Y903 AromaticContact CE1-CD2 3.65Å; F111-Y903 HydrophobicContact CE1-CD2 3.65Å; F111-Y903 HydrophobicContact CG-CD2 4.27Å; F111-Y903 HydrophobicContact CZ-CD2 4.04Å; F111-Y903 HydrophobicContact CZ-CG 4.5Å; I655-Y903 HydrophobicContact CD1-CD1 4.15Å; I655-Y903 HydrophobicContact CG1-CD1 4.08Å; I655-Y903 HydrophobicContact CG2-CD1 3.88Å; I655-Y903 HydrophobicContact CG2-CE1 3.65Å; D659-Y903 PolarHBondContact OD1-OH 2.74Å; D659-Y903 VanDerWaalsContact OD1-OH 3.11Å; W665-Y903 PolarHBondContact NE1-OH 3.47Å; W665-Y903 VanDerWaalsContact NE1-OH 3.07Å; F822-Y903 AromaticContact CD2-CD2 3.9Å; F822-Y903 HydrophobicContact CD2-CD2 3.9Å; F822-Y903 HydrophobicContact CD2-CE2 4.04Å; F822-Y903 HydrophobicContact CE2-CD2 4.13Å; F822-Y903 HydrophobicContact CE2-CE2 4.23Å; R899-Y903 PolarHBondContact O-N 2.79Å; L900-Y903 PolarHBondContact O-N 3.22Å; Y903-R905 VanDerWaalsContact C-N 3.25Å; Y903-R905 PolarHBondContact O-N 2.95Å; Y903-I906 PolarHBondContact O-N 3.28Å; Y903-V907 HydrophobicContact CD1-CB 4.41Å; Y903-V907 HydrophobicContact CD1-CG2 4.5Å; Y903-V907 HydrophobicContact CD2-CG2 3.88Å; Y903-V907 HydrophobicContact CE1-CB 4.21Å; Y903-V907 HydrophobicContact CE1-CG1 4.37Å; Y903-V907 HydrophobicContact CE1-CG2 4.42Å; Y903-V907 HydrophobicContact CE2-CB 4.44Å; Y903-V907 HydrophobicContact CE2-CG2 3.8Å; Y903-V907 HydrophobicContact CG-CG2 4.23Å; Y903-V907 WeakPolarHBondContact O-CB 3.48Å; Y903-V907 PolarHBondContact O-N 2.99Å; Y903-H908 AromaticContact CE1-CD2 3.93Å; Y903-H908 AromaticContact CE1-NE2 3.54Å
904	L	94.1	Very high	92.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-56.9	-38	174.9	-80.2	165	0	0	0	112.5	A651 I654 I655 L900 I901 H908 S909 V910 F912	A651-L904 HydrophobicContact CB-CD1 4.14Å; I654-L904 HydrophobicContact CB-CD2 4.14Å; I654-L904 HydrophobicContact CD1-CD1 4.43Å; I654-L904 HydrophobicContact CG2-CD2 3.51Å; I655-L904 HydrophobicContact CD1-CD1 4.3Å; I655-L904 HydrophobicContact CD1-CG 4.07Å; I655-L904 HydrophobicContact CG1-CD1 4.11Å; I655-L904 HydrophobicContact CG1-CD2 3.75Å; I655-L904 HydrophobicContact CG1-CG 3.64Å; L900-L904 PolarHBondContact O-N 3.21Å; I901-L904 PolarHBondContact O-N 3.36Å; L904-H908 CarbonylContact O-C 3.6Å; L904-H908 WeakPolarHBondContact O-CA 3.42Å; L904-H908 VanDerWaalsContact O-CB 3.3Å; L904-H908 WeakPolarHBondContact O-CB 3.43Å; L904-H908 PolarHBondContact O-N 3.02Å; L904-S909 PolarHBondContact O-N 3.04Å; L904-V910 HydrophobicContact CB-CB 4.32Å; L904-V910 HydrophobicContact CD2-CB 4.33Å; L904-V910 PolarHBondContact O-N 3.09Å; L904-F912 HydrophobicContact CD1-CD2 4.04Å
905	R	93.8	Very high	92.5	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.015	5%	0.053	C	C	.	.	H	α-helix	trans	-77.3	-42.5	-177.6	-173.2	63.6	-167.4	88.5	-11.7	113.5	L137 I901 L902 Y903 S909 V910 E921 L930 I931	L137-R905 HydrophobicContact CD2-CG 4.44Å; I901-R905 WeakPolarHBondContact O-CB 3.49Å; I901-R905 PolarHBondContact O-N 2.76Å; L902-R905 PolarHBondContact O-N 3.22Å; L902-R905 VanDerWaalsContact O-N 3.16Å; Y903-R905 VanDerWaalsContact C-N 3.25Å; Y903-R905 PolarHBondContact O-N 2.95Å; R905-S909 PolarHBondContact O-N 2.85Å; R905-V910 WeakPolarHBondContact CA-O 3.06Å; R905-V910 WeakPolarHBondContact CD-O 3.41Å; R905-E921 IonicContact CZ-OE1 2.79Å; R905-E921 VanDerWaalsContact NH1-CD 3.33Å; R905-E921 IonicContact NH1-OE1 2.82Å; R905-E921 PolarHBondContact NH1-OE1 3.42Å; R905-E921 IonicContact NH1-OE2 2.85Å; R905-E921 PolarHBondContact NH1-OE2 3.19Å; R905-E921 IonicContact NH2-OE1 3.24Å; R905-E921 PolarHBondContact NH2-OE1 2.93Å; R905-L930 VanDerWaalsContact CZ-O 3.29Å; R905-L930 PolarHBondContact NE-O 2.92Å; R905-L930 PolarHBondContact NH2-O 3.15Å; R905-I931 HydrophobicContact CB-CD1 4.49Å; R905-I931 HydrophobicContact CG-CD1 4.09Å; R905-I931 HydrophobicContact CG-CG1 4.3Å
906	I	93.7	Very high	92.3	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-85.9	-49.1	-173.8	-65.4	166.4	0	0	0	111	R107 F111 F120 V140 L902 Y903	R107-I906 WeakPolarHBondContact CD-O 3.48Å; R107-I906 PolarHBondContact NH1-O 3.41Å; F111-I906 HydrophobicContact CB-CG2 4.2Å; F111-I906 HydrophobicContact CD2-CB 4Å; F111-I906 HydrophobicContact CD2-CD1 3.9Å; F111-I906 HydrophobicContact CD2-CG2 4.09Å; F111-I906 HydrophobicContact CE2-CD1 4.19Å; F120-I906 HydrophobicContact CE1-CD1 3.91Å; F120-I906 HydrophobicContact CZ-CD1 4.01Å; V140-I906 HydrophobicContact CG1-CG1 4.47Å; V140-I906 HydrophobicContact CG1-CG2 4.01Å; V140-I906 HydrophobicContact CG2-CD1 4.11Å; V140-I906 HydrophobicContact CG2-CG1 4.5Å; L902-I906 HydrophobicContact CB-CD1 4.47Å; L902-I906 WeakPolarHBondContact O-CB 3.41Å; L902-I906 WeakPolarHBondContact O-CG1 3.42Å; L902-I906 PolarHBondContact O-N 3.24Å; Y903-I906 PolarHBondContact O-N 3.28Å
907	V	93.1	Very high	92.1	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-38.4	-178.6	-172.7	0	0	0	0	111.4	L108 F111 R662 L664 Y903	L108-V907 HydrophobicContact CB-CG1 4.2Å; L108-V907 HydrophobicContact CD1-CG1 4.45Å; L108-V907 HydrophobicContact CD1-CG2 4.19Å; F111-V907 HydrophobicContact CB-CG2 3.75Å; F111-V907 HydrophobicContact CD2-CG2 4.34Å; F111-V907 HydrophobicContact CG-CG2 3.97Å; R662-V907 PolarHBondContact NH1-O 3.32Å; L664-V907 HydrophobicContact CD1-CG1 3.74Å; Y903-V907 HydrophobicContact CD1-CB 4.41Å; Y903-V907 HydrophobicContact CD1-CG2 4.5Å; Y903-V907 HydrophobicContact CD2-CG2 3.88Å; Y903-V907 HydrophobicContact CE1-CB 4.21Å; Y903-V907 HydrophobicContact CE1-CG1 4.37Å; Y903-V907 HydrophobicContact CE1-CG2 4.42Å; Y903-V907 HydrophobicContact CE2-CB 4.44Å; Y903-V907 HydrophobicContact CE2-CG2 3.8Å; Y903-V907 HydrophobicContact CG-CG2 4.23Å; Y903-V907 WeakPolarHBondContact O-CB 3.48Å; Y903-V907 PolarHBondContact O-N 2.99Å
908	H	91.2	Very high	91.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-7.4	-170.3	-65.2	-39.7	0	0	0	117.2	F658 D659 R662 Y903 L904 V910 F917	F658-H908 WeakPolarHBondContact CB-NE2 3.26Å; F658-H908 HydrophobicContact CD1-CB 3.74Å; F658-H908 AromaticContact CD1-CD2 3.94Å; F658-H908 AromaticContact CD1-CG 3.66Å; F658-H908 HydrophobicContact CE1-CB 4.1Å; D659-H908 IonicContact OD1-CE1 3.21Å; D659-H908 PolarHBondContact OD1-CE1 3.05Å; D659-H908 IonicContact OD1-NE2 3.08Å; D659-H908 PolarHBondContact OD1-NE2 3.23Å; R662-H908 PolarHBondContact NH1-ND1 3.08Å; R662-H908 PolarHBondContact NH2-O 3.45Å; Y903-H908 AromaticContact CE1-CD2 3.93Å; Y903-H908 AromaticContact CE1-NE2 3.54Å; L904-H908 CarbonylContact O-C 3.6Å; L904-H908 WeakPolarHBondContact O-CA 3.42Å; L904-H908 VanDerWaalsContact O-CB 3.3Å; L904-H908 WeakPolarHBondContact O-CB 3.43Å; L904-H908 PolarHBondContact O-N 3.02Å; H908-V910 HydrophobicContact CB-CG2 4.01Å; H908-V910 PolarHBondContact O-N 3.03Å; H908-F917 WeakPolarHBondContact O-CE2 3.4Å
909	S	92.3	Very high	91.2	Very high	4 Å²	4	15.1 Å²	15.1	3%	0.028	8%	0.079	C	C	.	.			trans	58.6	28.1	-173.3	-58.2	0	0	0	0	114.2	R107 L904 R905 Y918 E921	R107-S909 VanDerWaalsContact CZ-OG 3.32Å; R107-S909 PolarHBondContact NH1-OG 2.93Å; R107-S909 PolarHBondContact NH2-OG 2.54Å; L904-S909 PolarHBondContact O-N 3.04Å; R905-S909 PolarHBondContact O-N 2.85Å; S909-Y918 WeakPolarHBondContact CB-O 3.37Å; S909-Y918 WeakPolarHBondContact O-CD2 3.31Å; S909-Y918 PolarHBondContact O-N 3.06Å; S909-E921 WeakPolarHBondContact CB-OE2 3.13Å; S909-E921 PolarHBondContact OG-OE2 3.43Å
910	V	91.4	Very high	90.7	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.012	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.9	178.6	178.2	0	0	0	0	110.1	F658 L904 R905 H908 F917 L970	F658-V910 HydrophobicContact CD1-CG2 4.22Å; F658-V910 HydrophobicContact CE1-CG2 3.24Å; F658-V910 HydrophobicContact CZ-CG2 3.51Å; L904-V910 HydrophobicContact CB-CB 4.32Å; L904-V910 HydrophobicContact CD2-CB 4.33Å; L904-V910 PolarHBondContact O-N 3.09Å; R905-V910 WeakPolarHBondContact CA-O 3.06Å; R905-V910 WeakPolarHBondContact CD-O 3.41Å; H908-V910 HydrophobicContact CB-CG2 4.01Å; H908-V910 PolarHBondContact O-N 3.03Å; V910-F917 HydrophobicContact CG2-CD2 4.05Å; V910-L970 HydrophobicContact CG1-CD1 4.35Å
911	D	92.7	Very high	90.4	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.011	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121	164.2	-168.4	-45.5	0	0	0	108.6	Y913 S914 P915 A916 Y918 H932	D911-Y913 PolarHBondContact OD1-N 3.3Å; D911-S914 CarbonylContact C-O 3.49Å; D911-S914 VanDerWaalsContact CB-O 3.32Å; D911-S914 WeakPolarHBondContact CB-O 3.34Å; D911-S914 CarbonylContact O-C 3.57Å; D911-S914 PolarHBondContact OD1-N 3.21Å; D911-P915 WeakPolarHBondContact O-CA 3.27Å; D911-A916 PolarHBondContact N-O 2.88Å; D911-A916 PolarHBondContact O-N 3.06Å; D911-Y918 HydrophobicContact CB-CE2 3.8Å; D911-Y918 PolarHBondContact OD2-OH 3.1Å; D911-Y918 VanDerWaalsContact OD2-OH 3.08Å; D911-H932 IonicContact OD1-CG 3.59Å; D911-H932 IonicContact OD1-ND1 2.7Å; D911-H932 IonicContact OD2-CE1 3.04Å; D911-H932 IonicContact OD2-CG 3.54Å; D911-H932 PolarHBondContact OD2-N 2.99Å; D911-H932 IonicContact OD2-ND1 2.64Å; D911-H932 PolarHBondContact OD2-ND1 3.11Å
912	F	93.1	Very high	90.1	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.009	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-46.3	-175.7	-176.4	-96.9	0	0	0	111.9	H647 I650 A651 I654 I901 L904 F963 I967	H647-F912 HydrophobicContact CB-CE1 3.86Å; H647-F912 HydrophobicContact CB-CZ 3.87Å; H647-F912 AromaticContact CG-CE1 3.84Å; I650-F912 HydrophobicContact CG2-CE2 4.14Å; I650-F912 HydrophobicContact CG2-CZ 4.42Å; A651-F912 HydrophobicContact CB-CD2 4.36Å; A651-F912 HydrophobicContact CB-CE2 3.82Å; A651-F912 HydrophobicContact CB-CZ 4.31Å; I654-F912 HydrophobicContact CD1-CD2 3.97Å; I654-F912 HydrophobicContact CD1-CE2 3.88Å; I901-F912 HydrophobicContact CD1-CB 4.37Å; I901-F912 HydrophobicContact CD1-CD1 3.63Å; I901-F912 HydrophobicContact CD1-CE1 4.16Å; I901-F912 HydrophobicContact CD1-CG 4.12Å; I901-F912 HydrophobicContact CG1-CB 3.98Å; I901-F912 HydrophobicContact CG1-CD1 3.94Å; I901-F912 HydrophobicContact CG1-CG 3.9Å; I901-F912 HydrophobicContact CG2-CB 3.95Å; L904-F912 HydrophobicContact CD1-CD2 4.04Å; F912-F963 HydrophobicContact CD1-CZ 4.15Å; F912-F963 HydrophobicContact CE1-CE1 4.11Å; F912-F963 AromaticContact CE1-CZ 3.85Å; F912-F963 HydrophobicContact CE1-CZ 3.85Å; F912-F963 HydrophobicContact CZ-CE1 4.14Å; F912-F963 HydrophobicContact CZ-CZ 4.16Å; F912-F963 WeakPolarHBondContact O-CE2 3.35Å; F912-F963 VanDerWaalsContact O-CZ 3.22Å; F912-F963 WeakPolarHBondContact O-CZ 3.44Å; F912-I967 HydrophobicContact CD2-CD1 4.23Å; F912-I967 HydrophobicContact CE2-CD1 3.84Å; F912-I967 HydrophobicContact CZ-CD1 4.23Å
913	Y	92.4	Very high	89.6	Confident	1 Å²	1	19.2 Å²	19.2	0%	0.004	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-25.2	-172.6	-70	-49	0	0	0	113.9	L626 F627 H647 I901 D911 R934	L626-Y913 HydrophobicContact CD2-CD1 4.43Å; F627-Y913 AromaticContact CE2-CD1 3.69Å; F627-Y913 HydrophobicContact CE2-CD1 3.69Å; F627-Y913 HydrophobicContact CE2-CD2 4.03Å; F627-Y913 HydrophobicContact CE2-CE1 4.29Å; F627-Y913 AromaticContact CE2-CG 3.55Å; F627-Y913 HydrophobicContact CE2-CG 3.55Å; F627-Y913 AromaticContact CZ-CD1 3.48Å; F627-Y913 HydrophobicContact CZ-CD1 3.48Å; F627-Y913 VanDerWaalsContact CZ-CD1 3.48Å; F627-Y913 HydrophobicContact CZ-CD2 4.34Å; F627-Y913 AromaticContact CZ-CE1 3.71Å; F627-Y913 HydrophobicContact CZ-CE1 3.71Å; F627-Y913 HydrophobicContact CZ-CE2 4.5Å; F627-Y913 AromaticContact CZ-CG 3.84Å; F627-Y913 HydrophobicContact CZ-CG 3.84Å; H647-Y913 AromaticContact ND1-CE1 3.9Å; I901-Y913 HydrophobicContact CD1-CE1 4.23Å; I901-Y913 HydrophobicContact CD1-CE2 3.72Å; I901-Y913 WeakPolarHBondContact CD1-OH 3.37Å; D911-Y913 PolarHBondContact OD1-N 3.3Å; Y913-R934 HydrophobicContact CE2-CG 3.78Å; Y913-R934 PolarHBondContact OH-NH1 3.15Å
914	S	89.1	Confident	89.1	Confident	31 Å²	31	20.6 Å²	20.6	22%	0.217	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	98.3	155.7	174.6	0	0	0	0	108	D911 A916 H932	D911-S914 CarbonylContact C-O 3.49Å; D911-S914 VanDerWaalsContact CB-O 3.32Å; D911-S914 WeakPolarHBondContact CB-O 3.34Å; D911-S914 CarbonylContact O-C 3.57Å; D911-S914 PolarHBondContact OD1-N 3.21Å; S914-A916 VanDerWaalsContact C-N 3.33Å; S914-A916 WeakPolarHBondContact O-CB 3.43Å; S914-A916 PolarHBondContact O-N 3.34Å; S914-H932 VanDerWaalsContact CB-CE1 3.41Å; S914-H932 WeakPolarHBondContact CB-CE1 3.16Å; S914-H932 VanDerWaalsContact CB-CG 3.5Å; S914-H932 VanDerWaalsContact CB-ND1 3.27Å; S914-H932 WeakPolarHBondContact CB-ND1 3.24Å
915	P	86.4	Confident	88.7	Confident	25 Å²	25	21.3 Å²	21.3	16%	0.162	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	91.9	-170.8	25.7	-34	0	0	0	111.3	D911 F963 Q966 I967 L970	D911-P915 WeakPolarHBondContact O-CA 3.27Å; P915-F963 HydrophobicContact CG-CD2 4.16Å; P915-F963 HydrophobicContact CG-CE2 4.25Å; P915-Q966 HydrophobicContact CB-CB 4.09Å; P915-Q966 HydrophobicContact CG-CB 3.65Å; P915-Q966 HydrophobicContact CG-CG 4.49Å; P915-I967 HydrophobicContact CB-CG1 3.99Å; P915-L970 HydrophobicContact CB-CD1 4.05Å
916	A	86.3	Confident	88.2	Confident	29 Å²	29	21.5 Å²	21.5	24%	0.24	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.8	-171.5	0	0	0	0	0	109	D911 S914	D911-A916 PolarHBondContact N-O 2.88Å; D911-A916 PolarHBondContact O-N 3.06Å; S914-A916 VanDerWaalsContact C-N 3.33Å; S914-A916 WeakPolarHBondContact O-CB 3.43Å; S914-A916 PolarHBondContact O-N 3.34Å
917	F	86.2	Confident	87.9	Confident	38 Å²	38	21.7 Å²	21.7	17%	0.167	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	113.3	-174.6	170.9	-133.6	0	0	0	108.6	H908 V910 M919 L970 I974	H908-F917 WeakPolarHBondContact O-CE2 3.4Å; V910-F917 HydrophobicContact CG2-CD2 4.05Å; F917-M919 HydrophobicContact CD1-CE 4.05Å; F917-M919 HydrophobicContact CE1-CE 3.53Å; F917-M919 HydrophobicContact CE1-SD 3.64Å; F917-M919 HydrophobicContact CZ-CE 4.48Å; F917-M919 HydrophobicContact CZ-SD 4.02Å; F917-M919 PolarHBondContact O-N 3.28Å; F917-L970 HydrophobicContact CB-CD2 4.37Å; F917-I974 HydrophobicContact CD1-CD1 3.7Å; F917-I974 HydrophobicContact CD1-CG1 4.02Å; F917-I974 HydrophobicContact CD2-CD1 4.28Å; F917-I974 HydrophobicContact CE1-CD1 3.51Å; F917-I974 HydrophobicContact CE1-CG1 3.58Å; F917-I974 HydrophobicContact CE2-CD1 4.16Å; F917-I974 HydrophobicContact CG-CD1 4.08Å; F917-I974 HydrophobicContact CZ-CD1 3.77Å; F917-I974 HydrophobicContact CZ-CG1 4.11Å
918	Y	87.9	Confident	87.7	Confident	21 Å²	21	21.7 Å²	21.7	8%	0.082	12%	0.119	C	C	.	.			trans	-82.2	83.6	-174.9	-53.4	-62.7	0	0	0	109.8	S909 D911 N920 E921 L930 A1195	S909-Y918 WeakPolarHBondContact CB-O 3.37Å; S909-Y918 WeakPolarHBondContact O-CD2 3.31Å; S909-Y918 PolarHBondContact O-N 3.06Å; D911-Y918 HydrophobicContact CB-CE2 3.8Å; D911-Y918 PolarHBondContact OD2-OH 3.1Å; D911-Y918 VanDerWaalsContact OD2-OH 3.08Å; Y918-N920 PolarHBondContact O-N 3.08Å; Y918-E921 WeakPolarHBondContact O-CB 3.49Å; Y918-E921 PolarHBondContact O-N 2.87Å; Y918-L930 HydrophobicContact CE1-CD2 4.39Å; Y918-A1195 HydrophobicContact CE1-CB 4.32Å
919	M	81.2	Confident	87.5	Confident	83 Å²	83	24.1 Å²	24.1	41%	0.409	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	133.4	179.6	-165.9	73.4	78	0	0	111.3	F917 E921	F917-M919 HydrophobicContact CD1-CE 4.05Å; F917-M919 HydrophobicContact CE1-CE 3.53Å; F917-M919 HydrophobicContact CE1-SD 3.64Å; F917-M919 HydrophobicContact CZ-CE 4.48Å; F917-M919 HydrophobicContact CZ-SD 4.02Å; F917-M919 PolarHBondContact O-N 3.28Å; M919-E921 PolarHBondContact O-N 3.24Å
920	N	81.2	Confident	87.4	Confident	95 Å²	95	24.9 Å²	24.9	51%	0.508	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	33.4	178.3	-59.4	-12.2	0	0	0	114.6	Y918 D922 L923	Y918-N920 PolarHBondContact O-N 3.08Å; N920-D922 PolarHBondContact O-N 3.4Å; N920-D922 VanDerWaalsContact O-N 3.15Å; N920-L923 HydrophobicContact CB-CD1 4.39Å; N920-L923 PolarHBondContact O-N 3.42Å
921	E	88.9	Confident	87.4	Confident	11 Å²	11	24.9 Å²	24.9	5%	0.051	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-53.6	-32.2	-179.8	178.3	177.1	-129.8	0	0	114	R107 R905 S909 Y918 M919 L923 M924 P927 C928	R107-E921 IonicContact CZ-OE2 3.89Å; R107-E921 IonicContact NH1-OE2 3.82Å; R107-E921 PolarHBondContact NH1-OE2 3.41Å; R107-E921 VanDerWaalsContact NH1-OE2 3.08Å; R107-E921 IonicContact NH2-OE2 2.92Å; R107-E921 PolarHBondContact NH2-OE2 3.14Å; R905-E921 IonicContact CZ-OE1 2.79Å; R905-E921 VanDerWaalsContact NH1-CD 3.33Å; R905-E921 IonicContact NH1-OE1 2.82Å; R905-E921 PolarHBondContact NH1-OE1 3.42Å; R905-E921 IonicContact NH1-OE2 2.85Å; R905-E921 PolarHBondContact NH1-OE2 3.19Å; R905-E921 IonicContact NH2-OE1 3.24Å; R905-E921 PolarHBondContact NH2-OE1 2.93Å; S909-E921 WeakPolarHBondContact CB-OE2 3.13Å; S909-E921 PolarHBondContact OG-OE2 3.43Å; Y918-E921 WeakPolarHBondContact O-CB 3.49Å; Y918-E921 PolarHBondContact O-N 2.87Å; M919-E921 PolarHBondContact O-N 3.24Å; E921-L923 VanDerWaalsContact C-N 3.26Å; E921-L923 PolarHBondContact O-N 3.49Å; E921-M924 VanDerWaalsContact O-CB 3.31Å; E921-M924 WeakPolarHBondContact O-CB 3.31Å; E921-M924 PolarHBondContact O-N 3.16Å; E921-M924 VanDerWaalsContact O-N 3.07Å; E921-P927 HydrophobicContact CG-CB 4.11Å; E921-C928 WeakPolarHBondContact OE1-CA 3.22Å; E921-C928 PolarHBondContact OE1-N 2.8Å
922	D	86.7	Confident	87.4	Confident	17 Å²	17	25.3 Å²	25.3	9%	0.091	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-65.9	-26.1	177.6	-58.8	-62.3	0	0	0	114	L103 R107 R519 N920	L103-D922 HydrophobicContact CD1-CB 4.03Å; L103-D922 HydrophobicContact CD2-CB 3.76Å; R107-D922 IonicContact CZ-OD1 3.1Å; R107-D922 IonicContact CZ-OD2 2.73Å; R107-D922 VanDerWaalsContact NE-CG 3.33Å; R107-D922 IonicContact NE-OD1 3.23Å; R107-D922 PolarHBondContact NE-OD1 3.4Å; R107-D922 IonicContact NE-OD2 2.68Å; R107-D922 PolarHBondContact NE-OD2 3.2Å; R107-D922 VanDerWaalsContact NE-OD2 3.08Å; R107-D922 VanDerWaalsContact NH2-CG 3.28Å; R107-D922 IonicContact NH2-OD1 3.83Å; R107-D922 PolarHBondContact NH2-OD1 3.13Å; R107-D922 IonicContact NH2-OD2 3.91Å; R107-D922 PolarHBondContact NH2-OD2 3.37Å; R519-D922 WeakPolarHBondContact CD-O 3.46Å; R519-D922 PolarHBondContact NE-O 2.79Å; N920-D922 PolarHBondContact O-N 3.4Å; N920-D922 VanDerWaalsContact O-N 3.15Å
923	L	85.9	Confident	87.4	Confident	36 Å²	36	25.2 Å²	25.2	19%	0.188	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-81.8	-19.4	174.1	-61.8	-176.8	0	0	0	112.1	R519 A521 N920 E921	R519-L923 WeakPolarHBondContact CD-O 3.39Å; A521-L923 WeakPolarHBondContact CB-O 3.5Å; N920-L923 HydrophobicContact CB-CD1 4.39Å; N920-L923 PolarHBondContact O-N 3.42Å; E921-L923 VanDerWaalsContact C-N 3.26Å; E921-L923 PolarHBondContact O-N 3.49Å
924	M	84.6	Confident	87.4	Confident	30 Å²	30	26 Å²	26	15%	0.148	14%	0.136	C	C	.	.	S	Bend	trans	-68.6	158	-175.5	-64.5	-63	149.4	0	0	111.8	R519 A521 L523 W558 E921 H926	R519-M924 PolarHBondContact NE-O 3.49Å; R519-M924 PolarHBondContact NH2-O 3.01Å; A521-M924 HydrophobicContact CB-CE 3.94Å; A521-M924 HydrophobicContact CB-SD 3.7Å; L523-M924 HydrophobicContact CD2-CE 4Å; W558-M924 HydrophobicContact CE3-SD 4.22Å; W558-M924 HydrophobicContact CZ3-SD 4.11Å; E921-M924 VanDerWaalsContact O-CB 3.31Å; E921-M924 WeakPolarHBondContact O-CB 3.31Å; E921-M924 PolarHBondContact O-N 3.16Å; E921-M924 VanDerWaalsContact O-N 3.07Å; M924-H926 VanDerWaalsContact C-N 3.27Å; M924-H926 PolarHBondContact O-N 3.41Å
925	P	84.8	Confident	87.4	Confident	14 Å²	14	24.8 Å²	24.8	9%	0.091	13%	0.127	C	C	.	.	S	Bend	trans	-41.4	-50.2	173.8	-39	41.2	0	0	0	115.5	T490 L492 R519 W558	T490-P925 PolarHBondContact OG1-O 3.27Å; L492-P925 HydrophobicContact CD1-CB 3.54Å; L492-P925 HydrophobicContact CD1-CG 3.68Å; L492-P925 HydrophobicContact CD2-CB 3.6Å; L492-P925 HydrophobicContact CD2-CG 3.88Å; L492-P925 HydrophobicContact CG-CB 4.2Å; L492-P925 HydrophobicContact CG-CG 4.4Å; R519-P925 PolarHBondContact NH2-O 2.83Å; W558-P925 HydrophobicContact CB-CG 3.76Å; W558-P925 HydrophobicContact CG-CG 3.96Å
926	H	84.1	Confident	87.3	Confident	9 Å²	9	23.9 Å²	23.9	4%	0.042	12%	0.122	C	C	.	.	S	Bend	trans	-136.3	106.2	-176.8	-167.1	-64.4	0	0	0	109.5	D138 H488 L612 M924 R929	D138-H926 IonicContact OD1-CE1 2.78Å; D138-H926 PolarHBondContact OD1-CE1 3.11Å; D138-H926 IonicContact OD1-NE2 3.58Å; D138-H926 PolarHBondContact OD1-NE2 3.28Å; H488-H926 AromaticContact CD2-NE2 3.41Å; H488-H926 PolarHBondContact CD2-NE2 3.09Å; L612-H926 HydrophobicContact CD2-CB 4.26Å; L612-H926 WeakPolarHBondContact CD2-CD2 3.33Å; M924-H926 VanDerWaalsContact C-N 3.27Å; M924-H926 PolarHBondContact O-N 3.41Å; H926-R929 HydrophobicContact CB-CB 4.22Å; H926-R929 HydrophobicContact CB-CG 4.46Å
927	P	87.4	Confident	87.2	Confident	5 Å²	5	26.8 Å²	26.8	3%	0.032	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	156.3	172.3	28.6	-34.6	0	0	0	110	A141 L144 E921 R929	A141-P927 HydrophobicContact CB-CG 4.04Å; L144-P927 HydrophobicContact CD1-CB 4.1Å; L144-P927 HydrophobicContact CD1-CG 4.15Å; E921-P927 HydrophobicContact CG-CB 4.11Å; P927-R929 PolarHBondContact O-N 2.99Å
928	C	88.4	Confident	87.1	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	14.7	174.9	-65.3	0	0	0	0	115.9	L137 E921 L930	L137-C928 HydrophobicContact CB-CB 4.28Å; L137-C928 HydrophobicContact CD2-CB 3.9Å; E921-C928 WeakPolarHBondContact OE1-CA 3.22Å; E921-C928 PolarHBondContact OE1-N 2.8Å; C928-L930 VanDerWaalsContact C-N 3.3Å; C928-L930 PolarHBondContact O-N 3.37Å
929	R	87.7	Confident	86.9	Confident	52 Å²	52	32.5 Å²	32.5	20%	0.196	17%	0.165	C	C	.	.			trans	-58.4	-33	-172.1	-172.9	179.3	178.4	-138.4	13	115.3	H611 R619 H926 P927 D1194	H611-R929 PolarHBondContact O-NH2 2.97Å; R619-R929 PolarHBondContact NE-O 3.04Å; R619-R929 PolarHBondContact NH2-O 3.23Å; H926-R929 HydrophobicContact CB-CB 4.22Å; H926-R929 HydrophobicContact CB-CG 4.46Å; P927-R929 PolarHBondContact O-N 2.99Å; R929-D1194 IonicContact CZ-OD2 2.8Å; R929-D1194 VanDerWaalsContact NH1-CB 3.34Å; R929-D1194 IonicContact NH1-OD2 3.84Å; R929-D1194 PolarHBondContact NH1-OD2 3.28Å; R929-D1194 IonicContact NH2-OD2 3.71Å
930	L	89.1	Confident	87.1	Confident	19 Å²	19	29 Å²	29	10%	0.099	15%	0.149	C	C	.	.			trans	-129.6	135.3	-169.2	172.4	62.2	0	0	0	111.8	R619 R621 R905 Y918 C928	R619-L930 WeakPolarHBondContact O-CA 3.29Å; R619-L930 WeakPolarHBondContact O-CD1 3.49Å; R621-L930 HydrophobicContact CG-CD1 3.77Å; R905-L930 VanDerWaalsContact CZ-O 3.29Å; R905-L930 PolarHBondContact NE-O 2.92Å; R905-L930 PolarHBondContact NH2-O 3.15Å; Y918-L930 HydrophobicContact CE1-CD2 4.39Å; C928-L930 VanDerWaalsContact C-N 3.3Å; C928-L930 PolarHBondContact O-N 3.37Å
931	I	92.4	Very high	87.2	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	149.7	170.6	-166.3	174.5	0	0	0	109.9	L125 I133 L137 R619 A620 R621 R905 I933	L125-I931 HydrophobicContact CD2-CD1 4.25Å; I133-I931 HydrophobicContact CG2-CG2 3.71Å; L137-I931 HydrophobicContact CD1-CB 4.11Å; L137-I931 HydrophobicContact CD1-CG2 3.71Å; R619-I931 PolarHBondContact O-N 3.39Å; A620-I931 CarbonylContact C-O 3.57Å; A620-I931 WeakPolarHBondContact CA-O 3.49Å; A620-I931 HydrophobicContact CB-CG2 4.33Å; R621-I931 PolarHBondContact N-O 3.31Å; R905-I931 HydrophobicContact CB-CD1 4.49Å; R905-I931 HydrophobicContact CG-CD1 4.09Å; R905-I931 HydrophobicContact CG-CG1 4.3Å; I931-I933 HydrophobicContact CG2-CG2 4.26Å
932	H	92.5	Very high	87.1	Confident	12 Å²	12	32 Å²	32	6%	0.056	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.8	166.7	-65.7	70.4	0	0	0	111.8	R621 D911 S914	R621-H932 CarbonylContact O-C 3.54Å; R621-H932 WeakPolarHBondContact O-CA 3.39Å; R621-H932 WeakPolarHBondContact O-CB 3.36Å; R621-H932 PolarHBondContact O-CD2 2.96Å; D911-H932 IonicContact OD1-CG 3.59Å; D911-H932 IonicContact OD1-ND1 2.7Å; D911-H932 IonicContact OD2-CE1 3.04Å; D911-H932 IonicContact OD2-CG 3.54Å; D911-H932 PolarHBondContact OD2-N 2.99Å; D911-H932 IonicContact OD2-ND1 2.64Å; D911-H932 PolarHBondContact OD2-ND1 3.11Å; S914-H932 VanDerWaalsContact CB-CE1 3.41Å; S914-H932 WeakPolarHBondContact CB-CE1 3.16Å; S914-H932 VanDerWaalsContact CB-CG 3.5Å; S914-H932 VanDerWaalsContact CB-ND1 3.27Å; S914-H932 WeakPolarHBondContact CB-ND1 3.24Å
933	I	92.4	Very high	87	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.			trans	-128.9	164.9	-172.7	64	172.7	0	0	0	111.7	E130 I133 A620 R621 K622 F627 I931	E130-I933 HydrophobicContact CG-CD1 3.8Å; I133-I933 HydrophobicContact CD1-CG2 3.91Å; A620-I933 HydrophobicContact CB-CD1 4.26Å; A620-I933 HydrophobicContact CB-CG2 4.43Å; R621-I933 PolarHBondContact O-N 3.41Å; K622-I933 HydrophobicContact CB-CG1 4.33Å; F627-I933 WeakPolarHBondContact CE2-O 3.47Å; I931-I933 HydrophobicContact CG2-CG2 4.26Å
934	R	91.6	Very high	86.8	Confident	18 Å²	18	33 Å²	33	7%	0.068	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-71.9	141.2	175.8	-66	180	-67.8	-96.8	-0.2	111.7	L125 T126 S127 F627 D898 Y913	L125-R934 WeakPolarHBondContact O-CB 3.21Å; L125-R934 PolarHBondContact O-N 2.96Å; T126-R934 CarbonylContact C-O 3.56Å; T126-R934 WeakPolarHBondContact CA-O 3.44Å; T126-R934 PolarHBondContact OG1-NE 3.03Å; T126-R934 PolarHBondContact OG1-NH2 2.82Å; S127-R934 PolarHBondContact N-O 2.85Å; F627-R934 HydrophobicContact CE2-CG 4.33Å; F627-R934 HydrophobicContact CZ-CB 4.4Å; F627-R934 HydrophobicContact CZ-CG 3.84Å; D898-R934 VanDerWaalsContact CG-NH2 3.29Å; D898-R934 IonicContact OD1-CZ 3.81Å; D898-R934 VanDerWaalsContact OD1-CZ 3.26Å; D898-R934 IonicContact OD1-NH1 2.8Å; D898-R934 PolarHBondContact OD1-NH1 3.15Å; D898-R934 IonicContact OD1-NH2 3.94Å; D898-R934 PolarHBondContact OD1-NH2 3.08Å; D898-R934 IonicContact OD2-CZ 2.72Å; D898-R934 IonicContact OD2-NH1 2.85Å; D898-R934 IonicContact OD2-NH2 3.17Å; D898-R934 PolarHBondContact OD2-NH2 3.41Å; Y913-R934 HydrophobicContact CE2-CG 3.78Å; Y913-R934 PolarHBondContact OH-NH1 3.15Å
935	P	89	Confident	86.7	Confident	4 Å²	4	36.4 Å²	36.4	3%	0.026	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-60	137.7	168.6	-22.9	33.2	0	0	0	111.9	F627 L631 I638 E939 I940	F627-P935 HydrophobicContact CB-CG 3.74Å; F627-P935 HydrophobicContact CD1-CG 4.25Å; F627-P935 HydrophobicContact CD2-CG 4.33Å; F627-P935 HydrophobicContact CG-CG 3.87Å; L631-P935 HydrophobicContact CD1-CB 4.22Å; L631-P935 HydrophobicContact CD1-CG 3.87Å; L631-P935 HydrophobicContact CD2-CB 4.34Å; L631-P935 HydrophobicContact CD2-CG 4.47Å; L631-P935 HydrophobicContact CG-CG 4.33Å; I638-P935 HydrophobicContact CD1-CG 4.47Å; P935-E939 HydrophobicContact CB-CB 4.39Å; P935-I940 HydrophobicContact CB-CG1 4.3Å
936	G	85.9	Confident	86.5	Confident	6 Å²	6	42.4 Å²	42.4	6%	0.062	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-74.1	159.5	177.5	0	0	0	0	0	112.6	N938 E939 I940	G936-N938 PolarHBondContact O-N 3.34Å; G936-N938 VanDerWaalsContact O-N 3.13Å; G936-E939 WeakPolarHBondContact O-CB 3.31Å; G936-E939 PolarHBondContact O-N 2.93Å; G936-I940 PolarHBondContact O-N 3.38Å
937	L	83.8	Confident	86	Confident	91 Å²	91	45 Å²	45	48%	0.476	23%	0.23	S	C	.	.	H	α-helix	trans	-49.6	-42.6	179.6	175.2	60.9	0	0	0	112.7	E939 I940 T941	L937-E939 PolarHBondContact O-N 2.68Å; L937-E939 VanDerWaalsContact O-N 3.13Å; L937-I940 PolarHBondContact O-N 3.11Å; L937-T941 PolarHBondContact O-N 3.31Å; L937-T941 PolarHBondContact O-OG1 2.87Å
938	N	83.5	Confident	84.9	Confident	126 Å²	126	53.3 Å²	53.3	67%	0.674	27%	0.266	S	S	*	.	H	α-helix	trans	-56.4	-27.7	176.9	-80.5	-41	0	0	0	114	G936 K942	G936-N938 PolarHBondContact O-N 3.34Å; G936-N938 VanDerWaalsContact O-N 3.13Å; N938-K942 WeakPolarHBondContact O-CD 3.42Å; N938-K942 VanDerWaalsContact O-CE 3.22Å; N938-K942 WeakPolarHBondContact O-CE 3.33Å; N938-K942 WeakPolarHBondContact O-CG 3.48Å; N938-K942 PolarHBondContact O-N 3.48Å
939	E	83.5	Confident	83.5	Confident	52 Å²	52	58.4 Å²	58.4	24%	0.243	29%	0.294	C	S	.	.	H	α-helix	trans	-89.5	-38.3	179.4	-53.7	-166.4	139.5	0	0	111.5	K622 P935 G936 L937 K942 A943	K622-E939 VanDerWaalsContact CD-CD 3.48Å; K622-E939 WeakPolarHBondContact CD-OE1 3.49Å; K622-E939 WeakPolarHBondContact CD-OE2 3.45Å; K622-E939 WeakPolarHBondContact CE-OE1 3.48Å; K622-E939 IonicContact NZ-OE1 3.72Å; K622-E939 PolarHBondContact NZ-OE1 3.31Å; K622-E939 IonicContact NZ-OE2 2.73Å; P935-E939 HydrophobicContact CB-CB 4.39Å; G936-E939 WeakPolarHBondContact O-CB 3.31Å; G936-E939 PolarHBondContact O-N 2.93Å; L937-E939 PolarHBondContact O-N 2.68Å; L937-E939 VanDerWaalsContact O-N 3.13Å; E939-K942 CarbonylContact O-C 3.6Å; E939-K942 PolarHBondContact O-N 2.93Å; E939-A943 WeakPolarHBondContact O-CB 3.37Å; E939-A943 PolarHBondContact O-N 3.05Å
940	I	84.8	Confident	82.2	Confident	11 Å²	11	60.3 Å²	60.3	6%	0.056	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-45	174.4	-61.8	174.9	0	0	0	110.3	L631 P635 I638 R639 P935 G936 L937 A943 L944	L631-I940 HydrophobicContact CD2-CG1 4.2Å; P635-I940 HydrophobicContact CB-CG2 3.94Å; I638-I940 HydrophobicContact CB-CD1 3.94Å; I638-I940 HydrophobicContact CD1-CG1 4.34Å; I638-I940 HydrophobicContact CG2-CD1 3.73Å; I638-I940 HydrophobicContact CG2-CG1 4.5Å; R639-I940 HydrophobicContact CG-CD1 3.67Å; P935-I940 HydrophobicContact CB-CG1 4.3Å; G936-I940 PolarHBondContact O-N 3.38Å; L937-I940 PolarHBondContact O-N 3.11Å; I940-A943 PolarHBondContact O-N 3.21Å; I940-L944 WeakPolarHBondContact O-CB 3.46Å; I940-L944 PolarHBondContact O-N 3.44Å
941	T	85.3	Confident	80.5	Confident	47 Å²	47	68.2 Å²	68.2	29%	0.288	35%	0.349	S	S	.	.	H	α-helix	trans	-65.9	-38.1	175.4	-58	0	0	0	0	112.4	L937 A943 T945	L937-T941 PolarHBondContact O-N 3.31Å; L937-T941 PolarHBondContact O-OG1 2.87Å; T941-A943 VanDerWaalsContact C-N 3.32Å; T941-A943 PolarHBondContact O-N 3.29Å; T941-T945 WeakPolarHBondContact O-CG2 3.36Å; T941-T945 PolarHBondContact O-N 3.49Å; T941-T945 VanDerWaalsContact O-N 3.14Å; T941-T945 PolarHBondContact O-OG1 2.73Å
942	K	86.3	Confident	78.6	Confident	122 Å²	122	76.6 Å²	76.6	53%	0.53	39%	0.385	S	S	.	.	H	α-helix	trans	-65.7	-32.9	172.6	-74.5	165.9	-161.4	165.4	0	112.2	N938 E939 T945 Q946	N938-K942 WeakPolarHBondContact O-CD 3.42Å; N938-K942 VanDerWaalsContact O-CE 3.22Å; N938-K942 WeakPolarHBondContact O-CE 3.33Å; N938-K942 WeakPolarHBondContact O-CG 3.48Å; N938-K942 PolarHBondContact O-N 3.48Å; E939-K942 CarbonylContact O-C 3.6Å; E939-K942 PolarHBondContact O-N 2.93Å; K942-T945 PolarHBondContact O-OG1 2.68Å; K942-Q946 VanDerWaalsContact O-CG 3.31Å; K942-Q946 WeakPolarHBondContact O-CG 3.48Å; K942-Q946 PolarHBondContact O-NE2 3.4Å
943	A	83.4	Confident	76.8	Confident	14 Å²	14	80.1 Å²	80.1	12%	0.116	40%	0.404	C	S	.	.	H	α-helix	trans	-73.8	-46.8	175.5	0	0	0	0	0	111.6	L631 P635 E939 I940 T941 T945 Q946 I947	L631-A943 HydrophobicContact CB-CB 4.29Å; L631-A943 HydrophobicContact CD2-CB 3.83Å; P635-A943 HydrophobicContact CB-CB 4.11Å; P635-A943 HydrophobicContact CG-CB 3.81Å; E939-A943 WeakPolarHBondContact O-CB 3.37Å; E939-A943 PolarHBondContact O-N 3.05Å; I940-A943 PolarHBondContact O-N 3.21Å; T941-A943 VanDerWaalsContact C-N 3.32Å; T941-A943 PolarHBondContact O-N 3.29Å; A943-T945 VanDerWaalsContact C-N 3.33Å; A943-T945 PolarHBondContact O-N 2.9Å; A943-Q946 WeakPolarHBondContact O-CB 3.42Å; A943-Q946 PolarHBondContact O-N 3.1Å; A943-I947 PolarHBondContact O-N 2.96Å
944	L	82.2	Confident	75.1	Confident	59 Å²	59	84.6 Å²	84.6	31%	0.309	43%	0.427	S	S	.	.	H	α-helix	trans	-56	-45.5	179.4	-170.4	67.6	0	0	0	111.9	I940 Q946 I947	I940-L944 WeakPolarHBondContact O-CB 3.46Å; I940-L944 PolarHBondContact O-N 3.44Å; L944-Q946 PolarHBondContact O-N 2.64Å; L944-I947 PolarHBondContact O-N 3.07Å
945	T	82.2	Confident	73.9	Confident	101 Å²	101	88.2 Å²	88.2	62%	0.62	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-11.2	176.9	49.8	0	0	0	0	114.7	T941 K942 A943	T941-T945 WeakPolarHBondContact O-CG2 3.36Å; T941-T945 PolarHBondContact O-N 3.49Å; T941-T945 VanDerWaalsContact O-N 3.14Å; T941-T945 PolarHBondContact O-OG1 2.73Å; K942-T945 PolarHBondContact O-OG1 2.68Å; A943-T945 VanDerWaalsContact C-N 3.33Å; A943-T945 PolarHBondContact O-N 2.9Å
946	Q	80.4	Confident	73.1	Confident	140 Å²	140	88.9 Å²	88.9	65%	0.654	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-10.9	176.9	-73.9	177.5	73.9	0	0	113.9	K942 A943 L944 K948	K942-Q946 VanDerWaalsContact O-CG 3.31Å; K942-Q946 WeakPolarHBondContact O-CG 3.48Å; K942-Q946 PolarHBondContact O-NE2 3.4Å; A943-Q946 WeakPolarHBondContact O-CB 3.42Å; A943-Q946 PolarHBondContact O-N 3.1Å; L944-Q946 PolarHBondContact O-N 2.64Å; Q946-K948 PolarHBondContact O-N 3.43Å; Q946-K948 VanDerWaalsContact O-N 3.15Å
947	I	74.2	Confident	72.8	Confident	63 Å²	63	93.3 Å²	93.3	32%	0.323	47%	0.472	S	S	.	.			trans	-74.6	105.3	-179.7	-65.7	174.1	0	0	0	110	P635 A943 L944	P635-I947 HydrophobicContact CG-CD1 3.65Å; A943-I947 PolarHBondContact O-N 2.96Å; L944-I947 PolarHBondContact O-N 3.07Å
948	K	64.1	Low	72.7	Confident	181 Å²	181	93.4 Å²	93.4	79%	0.787	47%	0.472	S	S	*	.			trans	-96.7	-8.7	-176	-70.9	174.6	-176.4	178	0	115.1	Q946	Q946-K948 PolarHBondContact O-N 3.43Å; Q946-K948 VanDerWaalsContact O-N 3.15Å
949	N	59.3	Low	72.7	Confident	107 Å²	107	87.8 Å²	87.8	57%	0.572	44%	0.442	S	S	*	.			trans	-147.4	101	-179.7	-64.1	-68.2	0	0	0	110.1	E951	N949-E951 PolarHBondContact O-N 2.88Å
950	P	59.7	Low	72.8	Confident	92 Å²	92	85.4 Å²	85.4	60%	0.597	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-71.6	-13.5	175.1	29.6	-34.8	0	0	0	113.2	K952 L953	P950-K952 PolarHBondContact O-N 3.18Å; P950-K952 VanDerWaalsContact O-N 3.08Å; P950-L953 WeakPolarHBondContact O-CD1 3.17Å; P950-L953 VanDerWaalsContact O-CG 3.24Å; P950-L953 WeakPolarHBondContact O-CG 2.89Å; P950-L953 PolarHBondContact O-N 3.18Å
951	E	53.4	Low	72.8	Confident	185 Å²	185	88.9 Å²	88.9	86%	0.864	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-73.2	3.8	-178.5	-57.6	-179.8	167	0	0	114.8	N949	N949-E951 PolarHBondContact O-N 2.88Å
952	K	52.7	Low	72.9	Confident	177 Å²	177	91 Å²	91	77%	0.77	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-125.4	22.5	-179.8	-66.1	-171.5	179.1	178.8	0	113.5	P950 I954	P950-K952 PolarHBondContact O-N 3.18Å; P950-K952 VanDerWaalsContact O-N 3.08Å; K952-I954 PolarHBondContact O-N 2.91Å
953	L	54.2	Low	73	Confident	86 Å²	86	85.4 Å²	85.4	45%	0.45	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-61.7	118.5	171.1	-66.1	170.7	0	0	0	109.5	V633 P950	V633-L953 HydrophobicContact CG1-CD2 3.99Å; V633-L953 WeakPolarHBondContact O-CD2 3.27Å; P950-L953 WeakPolarHBondContact O-CD1 3.17Å; P950-L953 VanDerWaalsContact O-CG 3.24Å; P950-L953 WeakPolarHBondContact O-CG 2.89Å; P950-L953 PolarHBondContact O-N 3.18Å
954	I	57.9	Low	73.2	Confident	95 Å²	95	85 Å²	85	49%	0.487	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-68.5	132.3	161.2	-60.9	171.9	0	0	0	105.7	V633 K952 S956 L958	V633-I954 HydrophobicContact CG1-CB 4.23Å; V633-I954 VanDerWaalsContact CG1-O 3.23Å; V633-I954 WeakPolarHBondContact CG1-O 3.41Å; V633-I954 HydrophobicContact CG2-CB 4.44Å; V633-I954 HydrophobicContact CG2-CD1 4.41Å; K952-I954 PolarHBondContact O-N 2.91Å; I954-S956 PolarHBondContact O-N 2.88Å; I954-S956 VanDerWaalsContact O-N 3.15Å; I954-L958 HydrophobicContact CG2-CB 4.18Å; I954-L958 HydrophobicContact CG2-CD1 4.04Å
955	N	65.4	Low	73.4	Confident	93 Å²	93	85.4 Å²	85.4	50%	0.497	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-47.5	125.4	176.4	-63.1	37.3	0	0	0	110	E957 L958	N955-E957 HydrophobicContact CB-CB 4.38Å; N955-E957 PolarHBondContact ND2-OE2 3.4Å; N955-E957 PolarHBondContact O-N 3.21Å; N955-L958 HydrophobicContact CB-CD1 4.04Å; N955-L958 HydrophobicContact CB-CG 4.06Å; N955-L958 WeakPolarHBondContact O-CB 3.13Å; N955-L958 PolarHBondContact O-N 2.65Å
956	S	74	Confident	73.7	Confident	18 Å²	18	82.4 Å²	82.4	13%	0.126	42%	0.415	C	S	.	.	H	α-helix	trans	-58.2	-36.5	-176.7	-158.4	0	0	0	0	111.5	R637 I954 L958 V959 D960	R637-S956 WeakPolarHBondContact CD-OG 3.46Å; R637-S956 WeakPolarHBondContact CG-OG 3.41Å; R637-S956 PolarHBondContact NE-OG 3Å; I954-S956 PolarHBondContact O-N 2.88Å; I954-S956 VanDerWaalsContact O-N 3.15Å; S956-L958 PolarHBondContact O-N 3.3Å; S956-L958 VanDerWaalsContact O-N 3.08Å; S956-V959 WeakPolarHBondContact O-CA 3.28Å; S956-V959 WeakPolarHBondContact O-CB 3.45Å; S956-V959 PolarHBondContact O-N 3.41Å; S956-D960 VanDerWaalsContact O-CG 3.3Å; S956-D960 PolarHBondContact O-N 3.25Å
957	E	77.8	Confident	74	Confident	100 Å²	100	75.8 Å²	75.8	47%	0.467	38%	0.384	S	S	.	.	H	α-helix	trans	-40.7	-43.6	168.3	-54.7	162.3	154.7	0	0	113.1	N955 D960 H961	N955-E957 HydrophobicContact CB-CB 4.38Å; N955-E957 PolarHBondContact ND2-OE2 3.4Å; N955-E957 PolarHBondContact O-N 3.21Å; E957-D960 PolarHBondContact O-N 3.23Å; E957-H961 WeakPolarHBondContact O-CB 3.06Å; E957-H961 PolarHBondContact O-CD2 3.47Å; E957-H961 PolarHBondContact O-N 3.1Å
958	L	81.5	Confident	74.5	Confident	93 Å²	93	74.9 Å²	74.9	49%	0.487	38%	0.378	S	S	.	.	H	α-helix	trans	-73.3	-28.1	-177.8	-65.3	171.4	0	0	0	112.7	I954 N955 S956 L962	I954-L958 HydrophobicContact CG2-CB 4.18Å; I954-L958 HydrophobicContact CG2-CD1 4.04Å; N955-L958 HydrophobicContact CB-CD1 4.04Å; N955-L958 HydrophobicContact CB-CG 4.06Å; N955-L958 WeakPolarHBondContact O-CB 3.13Å; N955-L958 PolarHBondContact O-N 2.65Å; S956-L958 PolarHBondContact O-N 3.3Å; S956-L958 VanDerWaalsContact O-N 3.08Å; L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 VanDerWaalsContact O-CD1 3.3Å; L958-L962 WeakPolarHBondContact O-CD1 3.47Å; L958-L962 WeakPolarHBondContact O-CG 3.47Å; L958-L962 PolarHBondContact O-N 3.2Å
959	V	84.5	Confident	75.4	Confident	7 Å²	7	70.2 Å²	70.2	4%	0.042	36%	0.355	C	S	.	.	H	α-helix	trans	-72.2	-46.6	173.2	178.3	0	0	0	0	109.2	L626 K629 L630 S956 L962 F963	L626-V959 HydrophobicContact CD1-CG1 3.93Å; K629-V959 HydrophobicContact CB-CG1 3.77Å; K629-V959 HydrophobicContact CB-CG2 4.26Å; K629-V959 HydrophobicContact CD-CG1 3.92Å; K629-V959 HydrophobicContact CD-CG2 4.38Å; L630-V959 HydrophobicContact CD2-CB 4.21Å; L630-V959 HydrophobicContact CD2-CG1 3.81Å; L630-V959 HydrophobicContact CG-CG1 4.14Å; S956-V959 WeakPolarHBondContact O-CA 3.28Å; S956-V959 WeakPolarHBondContact O-CB 3.45Å; S956-V959 PolarHBondContact O-N 3.41Å; V959-L962 WeakPolarHBondContact O-CB 3.02Å; V959-L962 PolarHBondContact O-N 3.27Å; V959-F963 PolarHBondContact O-N 3.46Å
960	D	86.1	Confident	76.4	Confident	2 Å²	2	66 Å²	66	1%	0.011	33%	0.333	C	S	.	.	H	α-helix	trans	-72.5	-41.2	-174	-52.8	-17.6	0	0	0	111.1	R637 R646 S956 E957 L962 F963 A964	R637-D960 IonicContact CZ-OD2 3.19Å; R637-D960 IonicContact NE-OD2 2.74Å; R637-D960 PolarHBondContact NE-OD2 2.86Å; R637-D960 IonicContact NH2-OD2 3.7Å; R637-D960 PolarHBondContact NH2-OD2 2.68Å; R646-D960 IonicContact NH1-OD2 2.75Å; S956-D960 VanDerWaalsContact O-CG 3.3Å; S956-D960 PolarHBondContact O-N 3.25Å; E957-D960 PolarHBondContact O-N 3.23Å; D960-L962 VanDerWaalsContact C-N 3.3Å; D960-L962 PolarHBondContact O-N 3.21Å; D960-F963 WeakPolarHBondContact O-CB 3.45Å; D960-F963 PolarHBondContact O-N 3.03Å; D960-F963 VanDerWaalsContact O-N 3.16Å; D960-A964 PolarHBondContact O-N 3.39Å
961	H	85	Confident	77.4	Confident	84 Å²	84	62.2 Å²	62.2	39%	0.389	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-32	170.7	-73.1	-48.3	0	0	0	112.8	R646 D801 E957 S965	R646-H961 PolarHBondContact NH2-CE1 3.45Å; R646-H961 PolarHBondContact NH2-ND1 3.08Å; D801-H961 IonicContact OD2-CE1 3.75Å; D801-H961 IonicContact OD2-CG 3.99Å; D801-H961 IonicContact OD2-ND1 2.75Å; D801-H961 PolarHBondContact OD2-ND1 2.96Å; E957-H961 WeakPolarHBondContact O-CB 3.06Å; E957-H961 PolarHBondContact O-CD2 3.47Å; E957-H961 PolarHBondContact O-N 3.1Å; H961-S965 WeakPolarHBondContact O-CB 3.46Å; H961-S965 PolarHBondContact O-N 3.25Å
962	L	86	Confident	78.6	Confident	92 Å²	92	59.4 Å²	59.4	48%	0.482	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-36.3	173.5	-81.7	172.2	0	0	0	111.5	L958 V959 D960 Q966	L958-L962 WeakPolarHBondContact O-CB 3.43Å; L958-L962 VanDerWaalsContact O-CD1 3.3Å; L958-L962 WeakPolarHBondContact O-CD1 3.47Å; L958-L962 WeakPolarHBondContact O-CG 3.47Å; L958-L962 PolarHBondContact O-N 3.2Å; V959-L962 WeakPolarHBondContact O-CB 3.02Å; V959-L962 PolarHBondContact O-N 3.27Å; D960-L962 VanDerWaalsContact C-N 3.3Å; D960-L962 PolarHBondContact O-N 3.21Å; L962-Q966 VanDerWaalsContact O-CG 3.28Å; L962-Q966 WeakPolarHBondContact O-CG 3.5Å; L962-Q966 PolarHBondContact O-N 3.42Å
963	F	89	Confident	79.6	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.022	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-49.6	175	173.1	-109.2	0	0	0	111.6	L626 H647 F912 P915 V959 D960 S965 Q966 I967	L626-F963 HydrophobicContact CB-CD2 4.1Å; L626-F963 HydrophobicContact CB-CE2 4.46Å; L626-F963 HydrophobicContact CD1-CB 4.06Å; L626-F963 HydrophobicContact CD1-CD2 4.49Å; L626-F963 HydrophobicContact CD1-CG 4.18Å; L626-F963 HydrophobicContact CD2-CD1 4.1Å; L626-F963 HydrophobicContact CD2-CD2 3.94Å; L626-F963 HydrophobicContact CD2-CE1 4.07Å; L626-F963 HydrophobicContact CD2-CE2 3.88Å; L626-F963 HydrophobicContact CD2-CG 4.04Å; L626-F963 HydrophobicContact CD2-CZ 3.94Å; L626-F963 HydrophobicContact CG-CD2 4.4Å; H647-F963 AromaticContact CD2-CE1 3.61Å; H647-F963 AromaticContact NE2-CD1 3.9Å; H647-F963 AromaticContact NE2-CE1 3.48Å; H647-F963 WeakPolarHBondContact NE2-CE1 3.34Å; F912-F963 HydrophobicContact CD1-CZ 4.15Å; F912-F963 HydrophobicContact CE1-CE1 4.11Å; F912-F963 AromaticContact CE1-CZ 3.85Å; F912-F963 HydrophobicContact CE1-CZ 3.85Å; F912-F963 HydrophobicContact CZ-CE1 4.14Å; F912-F963 HydrophobicContact CZ-CZ 4.16Å; F912-F963 WeakPolarHBondContact O-CE2 3.35Å; F912-F963 VanDerWaalsContact O-CZ 3.22Å; F912-F963 WeakPolarHBondContact O-CZ 3.44Å; P915-F963 HydrophobicContact CG-CD2 4.16Å; P915-F963 HydrophobicContact CG-CE2 4.25Å; V959-F963 PolarHBondContact O-N 3.46Å; D960-F963 WeakPolarHBondContact O-CB 3.45Å; D960-F963 PolarHBondContact O-N 3.03Å; D960-F963 VanDerWaalsContact O-N 3.16Å; F963-S965 VanDerWaalsContact C-N 3.28Å; F963-S965 PolarHBondContact O-N 2.88Å; F963-Q966 WeakPolarHBondContact O-CA 3.31Å; F963-Q966 WeakPolarHBondContact O-CB 3.32Å; F963-Q966 PolarHBondContact O-N 2.93Å; F963-I967 HydrophobicContact CD1-CD1 4.12Å; F963-I967 HydrophobicContact CE1-CD1 3.51Å; F963-I967 HydrophobicContact CE2-CD1 3.99Å; F963-I967 HydrophobicContact CZ-CD1 3.45Å; F963-I967 VanDerWaalsContact CZ-CD1 3.45Å; F963-I967 HydrophobicContact CZ-CG1 4.44Å; F963-I967 PolarHBondContact O-N 2.89Å
964	A	88	Confident	80.6	Confident	4 Å²	4	50.4 Å²	50.4	3%	0.033	25%	0.25	C	C	.	.	H	α-helix	trans	-61.4	-35.8	174.6	0	0	0	0	0	112.4	I650 D801 D960 Q966 I967 K968	I650-A964 HydrophobicContact CD1-CB 3.98Å; D801-A964 HydrophobicContact CB-CB 3.68Å; D801-A964 VanDerWaalsContact CG-CB 3.45Å; D801-A964 WeakPolarHBondContact OD2-CB 3.43Å; D960-A964 PolarHBondContact O-N 3.39Å; A964-Q966 VanDerWaalsContact C-N 3.28Å; A964-Q966 PolarHBondContact O-N 3.06Å; A964-I967 PolarHBondContact O-N 3.41Å; A964-K968 VanDerWaalsContact O-CB 3.32Å; A964-K968 WeakPolarHBondContact O-CB 3.42Å; A964-K968 PolarHBondContact O-N 3.14Å
965	S	86.9	Confident	81.4	Confident	68 Å²	68	48.5 Å²	48.5	48%	0.476	24%	0.242	S	C	.	.	H	α-helix	trans	-70.3	-17.6	171.7	-178.4	0	0	0	0	114.3	H961 F963	H961-S965 WeakPolarHBondContact O-CB 3.46Å; H961-S965 PolarHBondContact O-N 3.25Å; F963-S965 VanDerWaalsContact C-N 3.28Å; F963-S965 PolarHBondContact O-N 2.88Å
966	Q	86.7	Confident	81.9	Confident	38 Å²	38	48.5 Å²	48.5	18%	0.178	25%	0.248	C	C	.	.	H	α-helix	trans	-82.9	-46.4	170.6	-76.8	172.2	-31.4	0	0	110.2	P915 L962 F963 A964 K968 R969 L970	P915-Q966 HydrophobicContact CB-CB 4.09Å; P915-Q966 HydrophobicContact CG-CB 3.65Å; P915-Q966 HydrophobicContact CG-CG 4.49Å; L962-Q966 VanDerWaalsContact O-CG 3.28Å; L962-Q966 WeakPolarHBondContact O-CG 3.5Å; L962-Q966 PolarHBondContact O-N 3.42Å; F963-Q966 WeakPolarHBondContact O-CA 3.31Å; F963-Q966 WeakPolarHBondContact O-CB 3.32Å; F963-Q966 PolarHBondContact O-N 2.93Å; A964-Q966 VanDerWaalsContact C-N 3.28Å; A964-Q966 PolarHBondContact O-N 3.06Å; Q966-K968 VanDerWaalsContact C-N 3.34Å; Q966-K968 PolarHBondContact O-N 2.88Å; Q966-R969 WeakPolarHBondContact O-CA 3.34Å; Q966-R969 WeakPolarHBondContact O-CB 3.5Å; Q966-R969 PolarHBondContact O-N 3.3Å; Q966-L970 PolarHBondContact O-N 3.04Å
967	I	87.8	Confident	82.2	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-55.3	-47.2	172.5	-78.6	174.1	0	0	0	111.8	I650 I654 F912 P915 F963 A964 R969 L970 V971	I650-I967 HydrophobicContact CG2-CB 4.48Å; I650-I967 HydrophobicContact CG2-CD1 3.65Å; I650-I967 HydrophobicContact CG2-CG2 3.79Å; I654-I967 HydrophobicContact CD1-CD1 4.2Å; I654-I967 HydrophobicContact CD1-CG1 4.42Å; I654-I967 HydrophobicContact CD1-CG2 3.49Å; I654-I967 VanDerWaalsContact CD1-CG2 3.49Å; I654-I967 HydrophobicContact CG1-CG2 3.64Å; F912-I967 HydrophobicContact CD2-CD1 4.23Å; F912-I967 HydrophobicContact CE2-CD1 3.84Å; F912-I967 HydrophobicContact CZ-CD1 4.23Å; P915-I967 HydrophobicContact CB-CG1 3.99Å; F963-I967 HydrophobicContact CD1-CD1 4.12Å; F963-I967 HydrophobicContact CE1-CD1 3.51Å; F963-I967 HydrophobicContact CE2-CD1 3.99Å; F963-I967 HydrophobicContact CZ-CD1 3.45Å; F963-I967 VanDerWaalsContact CZ-CD1 3.45Å; F963-I967 HydrophobicContact CZ-CG1 4.44Å; F963-I967 PolarHBondContact O-N 2.89Å; A964-I967 PolarHBondContact O-N 3.41Å; I967-R969 PolarHBondContact O-N 2.99Å; I967-L970 WeakPolarHBondContact O-CB 3.48Å; I967-L970 PolarHBondContact O-N 3.13Å; I967-V971 PolarHBondContact O-N 3.27Å
968	K	85.4	Confident	82.4	Confident	45 Å²	45	48.2 Å²	48.2	20%	0.196	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-14.7	177.2	-172.7	168.7	176.5	-167.4	0	113.7	D798 I800 A964 Q966 R972	D798-K968 WeakPolarHBondContact O-CE 3.2Å; D798-K968 PolarHBondContact O-NZ 2.94Å; D798-K968 WeakPolarHBondContact OD1-CE 3.42Å; D798-K968 IonicContact OD1-NZ 3.21Å; D798-K968 PolarHBondContact OD1-NZ 3.12Å; D798-K968 VanDerWaalsContact OD1-NZ 3.1Å; D798-K968 IonicContact OD2-NZ 3.91Å; D798-K968 PolarHBondContact OD2-NZ 2.86Å; I800-K968 HydrophobicContact CD1-CB 4.01Å; I800-K968 HydrophobicContact CD1-CD 4.24Å; I800-K968 HydrophobicContact CD1-CG 3.79Å; I800-K968 HydrophobicContact CG1-CD 4.4Å; I800-K968 HydrophobicContact CG1-CG 4.48Å; A964-K968 VanDerWaalsContact O-CB 3.32Å; A964-K968 WeakPolarHBondContact O-CB 3.42Å; A964-K968 PolarHBondContact O-N 3.14Å; Q966-K968 VanDerWaalsContact C-N 3.34Å; Q966-K968 PolarHBondContact O-N 2.88Å; K968-R972 WeakPolarHBondContact O-CG 3.34Å
969	R	82	Confident	82.4	Confident	83 Å²	83	48.4 Å²	48.4	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-78.4	-36.6	168.9	-166.3	175.9	-58.2	151.5	17.3	111.9	Q966 I967 R972 L973 S1154	Q966-R969 WeakPolarHBondContact O-CA 3.34Å; Q966-R969 WeakPolarHBondContact O-CB 3.5Å; Q966-R969 PolarHBondContact O-N 3.3Å; I967-R969 PolarHBondContact O-N 2.99Å; R969-R972 PolarHBondContact O-N 2.9Å; R969-L973 HydrophobicContact CG-CD1 4.22Å; R969-L973 VanDerWaalsContact O-CG 3.31Å; R969-L973 WeakPolarHBondContact O-CG 3.32Å; R969-L973 PolarHBondContact O-N 3.24Å; R969-S1154 PolarHBondContact NH1-O 2.92Å
970	L	80.5	Confident	82.4	Confident	19 Å²	19	53.5 Å²	53.5	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-48.6	-179.1	-56.6	179.2	0	0	0	111.6	V910 P915 F917 Q966 I967 R972 L973	V910-L970 HydrophobicContact CG1-CD1 4.35Å; P915-L970 HydrophobicContact CB-CD1 4.05Å; F917-L970 HydrophobicContact CB-CD2 4.37Å; Q966-L970 PolarHBondContact O-N 3.04Å; I967-L970 WeakPolarHBondContact O-CB 3.48Å; I967-L970 PolarHBondContact O-N 3.13Å; L970-R972 VanDerWaalsContact C-N 3.26Å; L970-R972 PolarHBondContact O-N 3.12Å; L970-L973 WeakPolarHBondContact O-CB 3.44Å; L970-L973 PolarHBondContact O-N 3.48Å
971	V	80.3	Confident	82.2	Confident	12 Å²	12	57 Å²	57	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-53.5	-46.9	177.5	-177.7	0	0	0	0	110.6	D657 F658 I800 I967 L973 I974 T975	D657-V971 HydrophobicContact CB-CG1 3.84Å; F658-V971 HydrophobicContact CE2-CG2 4.22Å; I800-V971 HydrophobicContact CD1-CG2 4.18Å; I967-V971 PolarHBondContact O-N 3.27Å; V971-L973 PolarHBondContact O-N 3.07Å; V971-I974 PolarHBondContact O-N 3.06Å; V971-I974 VanDerWaalsContact O-N 3.09Å; V971-T975 HydrophobicContact CG1-CG2 4.25Å; V971-T975 PolarHBondContact O-N 2.9Å; V971-T975 PolarHBondContact O-OG1 3.35Å
972	R	78	Confident	82.2	Confident	126 Å²	126	53 Å²	53	48%	0.475	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.2	178.7	-69.5	178.1	175.5	175.9	-8.2	115.3	D798 K968 R969 L970 P1058	D798-R972 IonicContact OD1-CZ 2.69Å; D798-R972 IonicContact OD1-NE 2.66Å; D798-R972 IonicContact OD1-NH2 3.67Å; D798-R972 PolarHBondContact OD1-NH2 2.92Å; D798-R972 IonicContact OD2-NH2 2.83Å; D798-R972 PolarHBondContact OD2-NH2 3.43Å; K968-R972 WeakPolarHBondContact O-CG 3.34Å; R969-R972 PolarHBondContact O-N 2.9Å; L970-R972 VanDerWaalsContact C-N 3.26Å; L970-R972 PolarHBondContact O-N 3.12Å; R972-P1058 WeakPolarHBondContact O-CB 3.42Å; R972-P1058 WeakPolarHBondContact O-CG 3.28Å
973	L	74.9	Confident	82.2	Confident	37 Å²	37	53.8 Å²	53.8	19%	0.194	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.9	173.1	-69.5	167.2	0	0	0	112.3	R969 L970 V971 A1059 F1156	R969-L973 HydrophobicContact CG-CD1 4.22Å; R969-L973 VanDerWaalsContact O-CG 3.31Å; R969-L973 WeakPolarHBondContact O-CG 3.32Å; R969-L973 PolarHBondContact O-N 3.24Å; L970-L973 WeakPolarHBondContact O-CB 3.44Å; L970-L973 PolarHBondContact O-N 3.48Å; V971-L973 PolarHBondContact O-N 3.07Å; L973-A1059 HydrophobicContact CD2-CB 3.89Å; L973-F1156 HydrophobicContact CD1-CD2 4.42Å; L973-F1156 HydrophobicContact CD2-CB 4.3Å; L973-F1156 HydrophobicContact CD2-CD2 3.53Å; L973-F1156 HydrophobicContact CD2-CE2 4.09Å; L973-F1156 HydrophobicContact CD2-CG 4.05Å
974	I	74.7	Confident	81.8	Confident	37 Å²	37	56.7 Å²	56.7	19%	0.19	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-34.5	-175.4	-67	164.1	0	0	0	111.2	F658 A661 F917 V971 P976	F658-I974 HydrophobicContact CD1-CD1 4.2Å; F658-I974 HydrophobicContact CE1-CD1 3.3Å; F658-I974 HydrophobicContact CE2-CD1 3.9Å; F658-I974 HydrophobicContact CZ-CD1 3.14Å; A661-I974 HydrophobicContact CB-CG2 4.28Å; F917-I974 HydrophobicContact CD1-CD1 3.7Å; F917-I974 HydrophobicContact CD1-CG1 4.02Å; F917-I974 HydrophobicContact CD2-CD1 4.28Å; F917-I974 HydrophobicContact CE1-CD1 3.51Å; F917-I974 HydrophobicContact CE1-CG1 3.58Å; F917-I974 HydrophobicContact CE2-CD1 4.16Å; F917-I974 HydrophobicContact CG-CD1 4.08Å; F917-I974 HydrophobicContact CZ-CD1 3.77Å; F917-I974 HydrophobicContact CZ-CG1 4.11Å; V971-I974 PolarHBondContact O-N 3.06Å; V971-I974 VanDerWaalsContact O-N 3.09Å; I974-P976 WeakPolarHBondContact O-CD 3.28Å
975	T	75	Confident	81.6	Confident	55 Å²	55	57.1 Å²	57.1	34%	0.337	30%	0.298	S	S	.	.	S	Bend	trans	-66.6	117.3	165.9	55.7	0	0	0	0	109.5	V971	V971-T975 HydrophobicContact CG1-CG2 4.25Å; V971-T975 PolarHBondContact O-N 2.9Å; V971-T975 PolarHBondContact O-OG1 3.35Å
976	P	74.7	Confident	81.5	Confident	93 Å²	93	55.1 Å²	55.1	60%	0.604	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-62.4	149.3	173.5	27.5	-34.3	0	0	0	110.3	I974	I974-P976 WeakPolarHBondContact O-CD 3.28Å
977	L	80.6	Confident	81.5	Confident	38 Å²	38	55.7 Å²	55.7	20%	0.199	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-66.5	147.2	177.3	-70.5	166.6	0	0	0	110.5	D981 L985 L1055 L1056 P1058 I1158	L977-D981 HydrophobicContact CB-CB 4.43Å; L977-D981 HydrophobicContact CD2-CB 4.44Å; L977-L985 HydrophobicContact CD1-CD1 4.39Å; L977-L1055 WeakPolarHBondContact CD1-O 3.14Å; L977-L1056 PolarHBondContact N-O 3.11Å; L977-L1056 WeakPolarHBondContact O-CD2 3.47Å; L977-P1058 HydrophobicContact CG-CB 4.39Å; L977-I1158 HydrophobicContact CD1-CD1 4.23Å
978	T	82.2	Confident	81.6	Confident	74 Å²	74	58.2 Å²	58.2	45%	0.454	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-72	154.9	177	75	0	0	0	0	110.4	N980 D981 C982	T978-N980 PolarHBondContact O-N 3.44Å; T978-N980 VanDerWaalsContact O-N 3.11Å; T978-N980 PolarHBondContact OG1-N 3.47Å; T978-D981 WeakPolarHBondContact CB-OD2 3.49Å; T978-D981 PolarHBondContact N-OD2 3.33Å; T978-D981 PolarHBondContact O-N 3.46Å; T978-D981 VanDerWaalsContact O-N 3.1Å; T978-D981 VanDerWaalsContact OG1-CG 3.31Å; T978-D981 PolarHBondContact OG1-N 2.81Å; T978-D981 VanDerWaalsContact OG1-N 3.14Å; T978-D981 PolarHBondContact OG1-OD2 2.92Å; T978-C982 PolarHBondContact O-N 3.27Å; T978-C982 PolarHBondContact O-SG 2.88Å; T978-C982 VanDerWaalsContact O-SG 3.36Å
979	E	82.5	Confident	81.9	Confident	97 Å²	97	60.3 Å²	60.3	45%	0.453	31%	0.312	S	S	.	.	H	α-helix	trans	-55.7	-30.4	172.5	-65	-162.7	141.3	0	0	112.3	C982 K983 Y987	E979-C982 PolarHBondContact O-N 3.35Å; E979-K983 VanDerWaalsContact O-CG 3.26Å; E979-K983 WeakPolarHBondContact O-CG 3.18Å; E979-K983 PolarHBondContact O-N 3.32Å; E979-Y987 PolarHBondContact OE1-OH 3.1Å
980	N	82.9	Confident	82.3	Confident	114 Å²	114	57.1 Å²	57.1	61%	0.61	30%	0.304	S	S	*	.	H	α-helix	trans	-70.4	-39.9	178.9	-68.6	-23.8	0	0	0	112.1	T978 C982 K983	T978-N980 PolarHBondContact O-N 3.44Å; T978-N980 VanDerWaalsContact O-N 3.11Å; T978-N980 PolarHBondContact OG1-N 3.47Å; N980-C982 VanDerWaalsContact C-N 3.34Å; N980-K983 PolarHBondContact O-N 3.29Å; N980-K983 PolarHBondContact OD1-NZ 3.32Å
981	D	83.2	Confident	82.9	Confident	76 Å²	76	61.3 Å²	61.3	41%	0.406	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-44.5	169.7	-60.1	-62.4	0	0	0	110.6	L977 T978 K983 S984	L977-D981 HydrophobicContact CB-CB 4.43Å; L977-D981 HydrophobicContact CD2-CB 4.44Å; T978-D981 WeakPolarHBondContact CB-OD2 3.49Å; T978-D981 PolarHBondContact N-OD2 3.33Å; T978-D981 PolarHBondContact O-N 3.46Å; T978-D981 VanDerWaalsContact O-N 3.1Å; T978-D981 VanDerWaalsContact OG1-CG 3.31Å; T978-D981 PolarHBondContact OG1-N 2.81Å; T978-D981 VanDerWaalsContact OG1-N 3.14Å; T978-D981 PolarHBondContact OG1-OD2 2.92Å; D981-K983 VanDerWaalsContact C-N 3.34Å; D981-K983 PolarHBondContact O-N 2.89Å; D981-S984 WeakPolarHBondContact O-CB 3.26Å; D981-S984 PolarHBondContact O-N 3.12Å; D981-S984 VanDerWaalsContact O-N 3.16Å; D981-S984 PolarHBondContact O-OG 3.45Å
982	C	84.7	Confident	83.5	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-31.6	-179.3	-67	0	0	0	0	113.3	T978 E979 N980 S984 L985 G986 Y987 L1055	T978-C982 PolarHBondContact O-N 3.27Å; T978-C982 PolarHBondContact O-SG 2.88Å; T978-C982 VanDerWaalsContact O-SG 3.36Å; E979-C982 PolarHBondContact O-N 3.35Å; N980-C982 VanDerWaalsContact C-N 3.34Å; C982-S984 PolarHBondContact O-N 3.44Å; C982-L985 CarbonylContact O-C 3.51Å; C982-L985 WeakPolarHBondContact O-CA 3.39Å; C982-L985 WeakPolarHBondContact O-CB 3.42Å; C982-L985 PolarHBondContact O-N 2.67Å; C982-G986 PolarHBondContact O-N 2.68Å; C982-Y987 HydrophobicContact CB-CD2 3.73Å; C982-Y987 HydrophobicContact CB-CG 4.23Å; C982-Y987 WeakPolarHBondContact O-CB 3.42Å; C982-Y987 PolarHBondContact O-N 2.99Å; C982-L1055 HydrophobicContact CB-CB 4.48Å
983	K	85.5	Confident	84.1	Confident	107 Å²	107	59.7 Å²	59.7	47%	0.465	33%	0.327	S	S	.	.	H	α-helix	trans	-56.9	-38.8	173	-74.9	160.5	-157.6	167	0	111.5	E979 N980 D981 L985 G986	E979-K983 VanDerWaalsContact O-CG 3.26Å; E979-K983 WeakPolarHBondContact O-CG 3.18Å; E979-K983 PolarHBondContact O-N 3.32Å; N980-K983 PolarHBondContact O-N 3.29Å; N980-K983 PolarHBondContact OD1-NZ 3.32Å; D981-K983 VanDerWaalsContact C-N 3.34Å; D981-K983 PolarHBondContact O-N 2.89Å; K983-L985 PolarHBondContact O-N 2.69Å; K983-G986 PolarHBondContact O-N 2.99Å
984	S	81.9	Confident	85	Confident	67 Å²	67	58.7 Å²	58.7	47%	0.469	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-24.6	174.2	81.4	0	0	0	0	113.7	R69 D981 C982	R69-S984 WeakPolarHBondContact CD-O 3.45Å; D981-S984 WeakPolarHBondContact O-CB 3.26Å; D981-S984 PolarHBondContact O-N 3.12Å; D981-S984 VanDerWaalsContact O-N 3.16Å; D981-S984 PolarHBondContact O-OG 3.45Å; C982-S984 PolarHBondContact O-N 3.44Å
985	L	83.3	Confident	85.9	Confident	12 Å²	12	59.9 Å²	59.9	6%	0.063	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.3	178.7	-57.5	173	0	0	0	113.4	R69 L72 L977 C982 K983 L1055 R1060	R69-L985 WeakPolarHBondContact CG-O 3.46Å; L72-L985 HydrophobicContact CD1-CB 4.42Å; L72-L985 HydrophobicContact CD1-CD2 4.2Å; L977-L985 HydrophobicContact CD1-CD1 4.39Å; C982-L985 CarbonylContact O-C 3.51Å; C982-L985 WeakPolarHBondContact O-CA 3.39Å; C982-L985 WeakPolarHBondContact O-CB 3.42Å; C982-L985 PolarHBondContact O-N 2.67Å; K983-L985 PolarHBondContact O-N 2.69Å; L985-L1055 HydrophobicContact CB-CD1 4.28Å; L985-L1055 HydrophobicContact CB-CD2 4Å; L985-R1060 VanDerWaalsContact CD1-NH2 3.3Å
986	G	84.1	Confident	86.7	Confident	26 Å²	26	63.1 Å²	63.1	27%	0.268	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.3	28.4	176.4	0	0	0	0	0	115.7	C982 K983 R988 F1051	C982-G986 PolarHBondContact O-N 2.68Å; K983-G986 PolarHBondContact O-N 2.99Å; G986-R988 PolarHBondContact O-N 3.36Å; G986-F1051 WeakPolarHBondContact O-CE1 3.38Å
987	Y	87.2	Confident	87.6	Confident	50 Å²	50	60.5 Å²	60.5	20%	0.196	32%	0.317	C	S	.	.			trans	-44.4	131.1	172	-166	-105.7	0	0	0	112.3	E979 C982 N1052	E979-Y987 PolarHBondContact OE1-OH 3.1Å; C982-Y987 HydrophobicContact CB-CD2 3.73Å; C982-Y987 HydrophobicContact CB-CG 4.23Å; C982-Y987 WeakPolarHBondContact O-CB 3.42Å; C982-Y987 PolarHBondContact O-N 2.99Å; Y987-N1052 HydrophobicContact CD2-CB 3.91Å; Y987-N1052 VanDerWaalsContact CD2-CG 3.45Å; Y987-N1052 WeakPolarHBondContact CD2-OD1 3.22Å; Y987-N1052 HydrophobicContact CE2-CB 3.55Å; Y987-N1052 WeakPolarHBondContact CE2-ND2 3.3Å
988	R	90.8	Very high	88.2	Confident	55 Å²	55	59.1 Å²	59.1	21%	0.208	31%	0.31	C	S	.	.			trans	-102.5	126.1	-173.4	-64.1	175.3	-179.7	-175.1	-1.4	110.4	E73 G986 N1047 A1048 F1051 N1052	E73-R988 IonicContact OE1-CZ 2.67Å; E73-R988 IonicContact OE1-NH2 2.84Å; E73-R988 PolarHBondContact OE1-NH2 2.61Å; E73-R988 IonicContact OE2-CZ 3.98Å; E73-R988 IonicContact OE2-NH2 2.91Å; E73-R988 PolarHBondContact OE2-NH2 3.21Å; G986-R988 PolarHBondContact O-N 3.36Å; R988-N1047 WeakPolarHBondContact CD-O 3.43Å; R988-N1047 PolarHBondContact NH1-O 3.11Å; R988-A1048 HydrophobicContact CB-CB 4.48Å; R988-F1051 HydrophobicContact CG-CD1 3.81Å; R988-F1051 HydrophobicContact CG-CE1 4.23Å; R988-F1051 VanDerWaalsContact NE-CD1 3.35Å; R988-N1052 PolarHBondContact N-OD1 3.46Å; R988-N1052 PolarHBondContact O-ND2 3.28Å
989	N	90.5	Very high	88.7	Confident	88 Å²	88	61.5 Å²	61.5	47%	0.471	31%	0.314	S	S	.	.			trans	-73.7	135.2	173.1	-52.7	-47.3	0	0	0	109.7	D991 D992 V993	N989-D991 PolarHBondContact O-N 2.82Å; N989-D992 HydrophobicContact CB-CB 4.33Å; N989-D992 WeakPolarHBondContact CB-OD2 3.44Å; N989-D992 PolarHBondContact ND2-OD2 2.87Å; N989-D992 PolarHBondContact O-N 3.36Å; N989-V993 PolarHBondContact O-N 3.07Å
990	A	91.1	Very high	89.2	Confident	17 Å²	17	62.8 Å²	62.8	14%	0.14	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-29.2	-178.8	0	0	0	0	0	113.1	V994 K1044 A1048 Y1049	A990-V994 WeakPolarHBondContact O-CG2 3.42Å; A990-V994 PolarHBondContact O-N 3.35Å; A990-K1044 HydrophobicContact CB-CD 4.07Å; A990-K1044 HydrophobicContact CB-CG 4.29Å; A990-A1048 HydrophobicContact CB-CB 4.27Å; A990-Y1049 HydrophobicContact CB-CE1 4.21Å
991	D	92.5	Very high	89.7	Confident	107 Å²	107	58.2 Å²	58.2	57%	0.572	30%	0.299	S	S	*	.	H	α-helix	trans	-84.7	-27.9	-176.8	-60.6	-39.2	0	0	0	113.3	N989 V993 V994 E995 K1044	N989-D991 PolarHBondContact O-N 2.82Å; D991-V993 VanDerWaalsContact C-N 3.33Å; D991-V994 PolarHBondContact O-N 2.84Å; D991-E995 WeakPolarHBondContact O-CB 3.26Å; D991-E995 WeakPolarHBondContact O-CG 3.31Å; D991-E995 PolarHBondContact O-N 3.48Å; D991-K1044 IonicContact OD1-NZ 2.71Å; D991-K1044 PolarHBondContact OD1-NZ 3.33Å
992	D	92.6	Very high	90.2	Very high	89 Å²	89	55.6 Å²	55.6	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-63.6	-41.1	169.4	-69.8	-36.2	0	0	0	110.8	N989 V994 E995 E996	N989-D992 HydrophobicContact CB-CB 4.33Å; N989-D992 WeakPolarHBondContact CB-OD2 3.44Å; N989-D992 PolarHBondContact ND2-OD2 2.87Å; N989-D992 PolarHBondContact O-N 3.36Å; D992-V994 VanDerWaalsContact C-N 3.34Å; D992-V994 PolarHBondContact O-N 3.49Å; D992-E995 VanDerWaalsContact O-CB 3.31Å; D992-E995 WeakPolarHBondContact O-CB 3.35Å; D992-E995 PolarHBondContact O-N 2.84Å; D992-E996 WeakPolarHBondContact O-CG 3.45Å; D992-E996 PolarHBondContact O-N 3.26Å
993	V	91.3	Very high	90.4	Very high	15 Å²	15	63 Å²	63	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-38.7	173.4	166.4	0	0	0	0	112	N989 D991 F997 A1043 N1047 A1048	N989-V993 PolarHBondContact O-N 3.07Å; D991-V993 VanDerWaalsContact C-N 3.33Å; V993-F997 VanDerWaalsContact O-CB 3.32Å; V993-F997 WeakPolarHBondContact O-CB 3.19Å; V993-F997 PolarHBondContact O-N 3.41Å; V993-A1043 WeakPolarHBondContact CG1-O 3.34Å; V993-N1047 HydrophobicContact CG1-CB 3.74Å; V993-N1047 HydrophobicContact CG2-CB 4.3Å; V993-A1048 HydrophobicContact CB-CB 4.5Å; V993-A1048 HydrophobicContact CG2-CB 4.11Å
994	V	93.3	Very high	90.7	Very high	15 Å²	15	64.8 Å²	64.8	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-67	-44	174.1	167.8	0	0	0	0	111.7	A990 D991 D992 E996 F997 I998 V1040 K1044	A990-V994 WeakPolarHBondContact O-CG2 3.42Å; A990-V994 PolarHBondContact O-N 3.35Å; D991-V994 PolarHBondContact O-N 2.84Å; D992-V994 VanDerWaalsContact C-N 3.34Å; D992-V994 PolarHBondContact O-N 3.49Å; V994-E996 VanDerWaalsContact C-N 3.35Å; V994-E996 PolarHBondContact O-N 2.9Å; V994-F997 PolarHBondContact O-N 2.67Å; V994-I998 HydrophobicContact CG1-CD1 3.51Å; V994-I998 HydrophobicContact CG1-CG1 4.38Å; V994-I998 WeakPolarHBondContact O-CB 3.29Å; V994-I998 WeakPolarHBondContact O-CD1 3.38Å; V994-I998 VanDerWaalsContact O-CG1 3.22Å; V994-I998 WeakPolarHBondContact O-CG1 3.49Å; V994-I998 PolarHBondContact O-N 3.12Å; V994-V1040 HydrophobicContact CB-CG1 4.2Å; V994-V1040 HydrophobicContact CG1-CG1 3.74Å; V994-V1040 HydrophobicContact CG2-CG1 3.46Å; V994-V1040 VanDerWaalsContact CG2-CG1 3.46Å; V994-K1044 HydrophobicContact CG2-CD 4.04Å; V994-K1044 HydrophobicContact CG2-CG 3.64Å
995	E	93	Very high	91	Very high	62 Å²	62	67 Å²	67	29%	0.29	32%	0.319	S	S	.	.	H	α-helix	trans	-54.4	-48.9	173.5	-89.1	-80.5	118.2	0	0	111.4	D991 D992 I998 K999 K1029	D991-E995 WeakPolarHBondContact O-CB 3.26Å; D991-E995 WeakPolarHBondContact O-CG 3.31Å; D991-E995 PolarHBondContact O-N 3.48Å; D992-E995 VanDerWaalsContact O-CB 3.31Å; D992-E995 WeakPolarHBondContact O-CB 3.35Å; D992-E995 PolarHBondContact O-N 2.84Å; E995-I998 PolarHBondContact O-N 3.36Å; E995-K999 WeakPolarHBondContact O-CB 3.49Å; E995-K999 VanDerWaalsContact O-CD 3.25Å; E995-K999 WeakPolarHBondContact O-CD 3.36Å; E995-K999 WeakPolarHBondContact O-CG 3.34Å; E995-K999 PolarHBondContact O-N 3.03Å; E995-K999 WeakPolarHBondContact OE2-CE 3.28Å; E995-K999 IonicContact OE2-NZ 2.72Å; E995-K999 PolarHBondContact OE2-NZ 3.49Å; E995-K1029 IonicContact OE1-NZ 3.3Å; E995-K1029 PolarHBondContact OE1-NZ 2.83Å
996	E	92.6	Very high	90.8	Very high	123 Å²	123	74.6 Å²	74.6	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-64.1	-45.8	175.5	-72.2	-172	165.4	0	0	112.9	D992 V994 I998 K999 L1000	D992-E996 WeakPolarHBondContact O-CG 3.45Å; D992-E996 PolarHBondContact O-N 3.26Å; V994-E996 VanDerWaalsContact C-N 3.35Å; V994-E996 PolarHBondContact O-N 2.9Å; E996-I998 VanDerWaalsContact C-N 3.27Å; E996-I998 PolarHBondContact O-N 2.96Å; E996-K999 WeakPolarHBondContact O-CB 3.17Å; E996-K999 PolarHBondContact O-N 3.38Å; E996-K999 VanDerWaalsContact O-N 3.1Å; E996-L1000 WeakPolarHBondContact O-CB 3.41Å; E996-L1000 WeakPolarHBondContact O-CG 3.42Å; E996-L1000 PolarHBondContact O-N 3.16Å
997	F	93.8	Very high	90.3	Very high	38 Å²	38	81 Å²	81	17%	0.167	37%	0.368	C	S	.	.	H	α-helix	trans	-58.2	-40	176.3	-178.8	-97.5	0	0	0	112.1	V993 V994 N1001 L1017 I1032 K1039 V1040 A1043	V993-F997 VanDerWaalsContact O-CB 3.32Å; V993-F997 WeakPolarHBondContact O-CB 3.19Å; V993-F997 PolarHBondContact O-N 3.41Å; V994-F997 PolarHBondContact O-N 2.67Å; F997-N1001 WeakPolarHBondContact CE2-ND2 3.15Å; F997-N1001 WeakPolarHBondContact CZ-ND2 3.35Å; F997-N1001 WeakPolarHBondContact O-CB 3.42Å; F997-N1001 PolarHBondContact O-N 3.03Å; F997-N1001 VanDerWaalsContact O-N 3.12Å; F997-N1001 PolarHBondContact O-ND2 3.13Å; F997-L1017 HydrophobicContact CE1-CD1 4.01Å; F997-L1017 HydrophobicContact CZ-CD1 3.92Å; F997-I1032 HydrophobicContact CD1-CG2 4.43Å; F997-I1032 HydrophobicContact CE1-CG2 4.15Å; F997-K1039 HydrophobicContact CE1-CB 4.43Å; F997-K1039 HydrophobicContact CZ-CB 3.93Å; F997-K1039 WeakPolarHBondContact CZ-O 3.46Å; F997-V1040 HydrophobicContact CD1-CG2 4.07Å; F997-V1040 HydrophobicContact CE1-CG2 3.92Å; F997-A1043 HydrophobicContact CB-CB 4.34Å; F997-A1043 HydrophobicContact CD2-CB 3.65Å; F997-A1043 HydrophobicContact CE2-CB 4.06Å; F997-A1043 HydrophobicContact CG-CB 3.97Å
998	I	94	Very high	89.7	Confident	9 Å²	9	89.4 Å²	89.4	5%	0.046	41%	0.405	C	S	.	.	H	α-helix	trans	-68.1	-43.2	174.8	-68.9	159	0	0	0	110.9	V994 E995 E996 N1001 T1002 K1029 I1032 L1033	V994-I998 HydrophobicContact CG1-CD1 3.51Å; V994-I998 HydrophobicContact CG1-CG1 4.38Å; V994-I998 WeakPolarHBondContact O-CB 3.29Å; V994-I998 WeakPolarHBondContact O-CD1 3.38Å; V994-I998 VanDerWaalsContact O-CG1 3.22Å; V994-I998 WeakPolarHBondContact O-CG1 3.49Å; V994-I998 PolarHBondContact O-N 3.12Å; E995-I998 PolarHBondContact O-N 3.36Å; E996-I998 VanDerWaalsContact C-N 3.27Å; E996-I998 PolarHBondContact O-N 2.96Å; I998-N1001 CarbonylContact O-C 3.57Å; I998-N1001 PolarHBondContact O-N 2.86Å; I998-T1002 VanDerWaalsContact O-CB 3.28Å; I998-T1002 WeakPolarHBondContact O-CB 3.47Å; I998-T1002 PolarHBondContact O-N 3.29Å; I998-T1002 VanDerWaalsContact O-N 3.09Å; I998-T1002 PolarHBondContact O-OG1 2.9Å; I998-K1029 HydrophobicContact CD1-CD 4.15Å; I998-K1029 HydrophobicContact CD1-CG 4.04Å; I998-K1029 HydrophobicContact CG2-CB 3.89Å; I998-K1029 HydrophobicContact CG2-CD 4.18Å; I998-K1029 HydrophobicContact CG2-CG 4.04Å; I998-I1032 HydrophobicContact CG1-CG2 4.17Å; I998-I1032 HydrophobicContact CG2-CD1 4.39Å; I998-L1033 HydrophobicContact CD1-CD2 4.42Å
999	K	92.7	Very high	88.9	Confident	124 Å²	124	91 Å²	91	54%	0.539	43%	0.43	S	S	.	.	H	α-helix	trans	-59.4	-49.2	177.2	-71.3	157.3	-165.3	167.9	0	110.9	E995 E996 N1001 T1002	E995-K999 WeakPolarHBondContact O-CB 3.49Å; E995-K999 VanDerWaalsContact O-CD 3.25Å; E995-K999 WeakPolarHBondContact O-CD 3.36Å; E995-K999 WeakPolarHBondContact O-CG 3.34Å; E995-K999 PolarHBondContact O-N 3.03Å; E995-K999 WeakPolarHBondContact OE2-CE 3.28Å; E995-K999 IonicContact OE2-NZ 2.72Å; E995-K999 PolarHBondContact OE2-NZ 3.49Å; E996-K999 WeakPolarHBondContact O-CB 3.17Å; E996-K999 PolarHBondContact O-N 3.38Å; E996-K999 VanDerWaalsContact O-N 3.1Å; K999-N1001 VanDerWaalsContact C-N 3.3Å; K999-N1001 PolarHBondContact O-N 3.18Å; K999-T1002 PolarHBondContact O-N 2.9Å; K999-T1002 VanDerWaalsContact O-N 3.11Å
1000	L	92.2	Very high	88.4	Confident	124 Å²	124	91.8 Å²	91.8	65%	0.649	43%	0.434	S	S	*	.	H	α-helix	trans	-60.1	-36.3	176.7	-69.9	170.2	0	0	0	113.1	E996 T1002	E996-L1000 WeakPolarHBondContact O-CB 3.41Å; E996-L1000 WeakPolarHBondContact O-CG 3.42Å; E996-L1000 PolarHBondContact O-N 3.16Å; L1000-T1002 VanDerWaalsContact C-N 3.34Å
1001	N	93.5	Very high	88.1	Confident	19 Å²	19	93.6 Å²	93.6	10%	0.102	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	9.2	177.8	-74.3	-66.6	0	0	0	114.5	F997 I998 K999 C1015 P1016 L1017 I1032	F997-N1001 WeakPolarHBondContact CE2-ND2 3.15Å; F997-N1001 WeakPolarHBondContact CZ-ND2 3.35Å; F997-N1001 WeakPolarHBondContact O-CB 3.42Å; F997-N1001 PolarHBondContact O-N 3.03Å; F997-N1001 VanDerWaalsContact O-N 3.12Å; F997-N1001 PolarHBondContact O-ND2 3.13Å; I998-N1001 CarbonylContact O-C 3.57Å; I998-N1001 PolarHBondContact O-N 2.86Å; K999-N1001 VanDerWaalsContact C-N 3.3Å; K999-N1001 PolarHBondContact O-N 3.18Å; N1001-C1015 WeakPolarHBondContact O-CA 3.41Å; N1001-P1016 WeakPolarHBondContact O-CD 3.45Å; N1001-L1017 HydrophobicContact CB-CD1 4.37Å; N1001-L1017 HydrophobicContact CB-CG 4.46Å; N1001-L1017 WeakPolarHBondContact OD1-CD2 3.26Å; N1001-L1017 WeakPolarHBondContact OD1-CG 3.34Å; N1001-I1032 HydrophobicContact CB-CD1 3.66Å
1002	T	92.7	Very high	88	Confident	21 Å²	21	89.8 Å²	89.8	13%	0.129	42%	0.423	C	S	.	.			trans	-112.9	74.2	-179.9	-62.6	0	0	0	0	111.2	I998 K999 L1000 W1013 P1025 V1028	I998-T1002 VanDerWaalsContact O-CB 3.28Å; I998-T1002 WeakPolarHBondContact O-CB 3.47Å; I998-T1002 PolarHBondContact O-N 3.29Å; I998-T1002 VanDerWaalsContact O-N 3.09Å; I998-T1002 PolarHBondContact O-OG1 2.9Å; K999-T1002 PolarHBondContact O-N 2.9Å; K999-T1002 VanDerWaalsContact O-N 3.11Å; L1000-T1002 VanDerWaalsContact C-N 3.34Å; T1002-W1013 HydrophobicContact CG2-CD2 4.42Å; T1002-W1013 HydrophobicContact CG2-CE3 3.56Å; T1002-W1013 HydrophobicContact CG2-CZ3 3.89Å; T1002-P1025 HydrophobicContact CG2-CB 3.63Å; T1002-V1028 HydrophobicContact CG2-CB 4.08Å; T1002-V1028 HydrophobicContact CG2-CG1 4.21Å; T1002-V1028 HydrophobicContact CG2-CG2 4.21Å; T1002-V1028 WeakPolarHBondContact OG1-CG1 3.46Å
1003	R	90.2	Very high	88	Confident	156 Å²	156	88.2 Å²	88.2	59%	0.589	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.2	-172.7	-61.5	-167.3	-174.9	-178.1	1.9	112.8	K1005 V1014 P1016	R1003-K1005 PolarHBondContact O-N 2.88Å; R1003-V1014 PolarHBondContact N-O 2.82Å; R1003-V1014 VanDerWaalsContact N-O 3.14Å; R1003-V1014 PolarHBondContact O-N 3.27Å; R1003-P1016 HydrophobicContact CG-CG 3.94Å
1004	R	91.2	Very high	88	Confident	143 Å²	143	87.8 Å²	87.8	54%	0.54	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	113.2	175.8	-169	179.2	178.3	179.3	3.1	111.6	V1011 W1013	R1004-V1011 HydrophobicContact CG-CG1 3.65Å; R1004-W1013 HydrophobicContact CB-CD2 4.29Å; R1004-W1013 HydrophobicContact CB-CE3 3.81Å; R1004-W1013 HydrophobicContact CB-CH2 4.05Å; R1004-W1013 HydrophobicContact CB-CZ2 4.46Å; R1004-W1013 HydrophobicContact CB-CZ3 3.69Å; R1004-W1013 HydrophobicContact CG-CD2 4.41Å; R1004-W1013 HydrophobicContact CG-CE3 4.39Å; R1004-W1013 HydrophobicContact CG-CH2 4.25Å; R1004-W1013 HydrophobicContact CG-CZ2 4.22Å; R1004-W1013 HydrophobicContact CG-CZ3 4.33Å
1005	K	87.4	Confident	88	Confident	113 Å²	113	87 Å²	87	49%	0.491	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.7	170.6	-60.7	-166	-173.3	-179.7	0	109.9	R1003 I1012 V1014	R1003-K1005 PolarHBondContact O-N 2.88Å; K1005-I1012 WeakPolarHBondContact CA-O 3.49Å; K1005-I1012 PolarHBondContact N-O 2.82Å; K1005-I1012 PolarHBondContact O-N 3.16Å; K1005-V1014 HydrophobicContact CB-CG2 4.33Å; K1005-V1014 HydrophobicContact CD-CB 4.3Å; K1005-V1014 HydrophobicContact CD-CG2 3.82Å; K1005-V1014 HydrophobicContact CG-CB 4.44Å; K1005-V1014 HydrophobicContact CG-CG2 3.97Å
1006	K	79.4	Confident	88	Confident	172 Å²	172	86.1 Å²	86.1	75%	0.748	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.6	174.1	-63.8	179.4	-178.5	175.9	0	109.9
1007	R	73.9	Confident	87.9	Confident	162 Å²	162	82.5 Å²	82.5	61%	0.611	39%	0.387	S	S	*	.			trans	-106.6	-179.5	162	-74.9	-174.5	165.8	-179.2	-12.2	109.7	A1009 D1010	R1007-A1009 VanDerWaalsContact C-N 3.27Å; R1007-A1009 PolarHBondContact O-N 2.9Å; R1007-D1010 PolarHBondContact N-O 3.18Å
1008	K	74.9	Confident	87.7	Confident	225 Å²	225	82.5 Å²	82.5	98%	0.978	39%	0.391	S	S	*	.	S	Bend	trans	-67.5	-21.8	-178.5	-68.3	-172.1	176.9	-175.6	0	114.4
1009	A	74.9	Confident	87.5	Confident	89 Å²	89	87.2 Å²	87.2	74%	0.736	42%	0.417	S	S	*	.	S	Bend	trans	-117.9	-62.1	174.4	0	0	0	0	0	109.9	R1007	R1007-A1009 VanDerWaalsContact C-N 3.27Å; R1007-A1009 PolarHBondContact O-N 2.9Å
1010	D	80.3	Confident	87.6	Confident	104 Å²	104	86.6 Å²	86.6	56%	0.556	41%	0.414	S	S	*	.			trans	-95.7	154.8	-169.7	-43.5	-62.2	0	0	0	114.8	R1007 I1012	R1007-D1010 PolarHBondContact N-O 3.18Å; D1010-I1012 HydrophobicContact CB-CG1 4.43Å
1011	V	84.8	Confident	87.6	Confident	55 Å²	55	87.5 Å²	87.5	33%	0.333	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127.8	159	179.9	0	0	0	0	108	R1004	R1004-V1011 HydrophobicContact CG-CG1 3.65Å
1012	I	89.3	Confident	87.6	Confident	28 Å²	28	88.6 Å²	88.6	14%	0.144	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.6	172.5	-60.7	-173.4	0	0	0	108.8	K1005 D1010 V1014 K1021	K1005-I1012 WeakPolarHBondContact CA-O 3.49Å; K1005-I1012 PolarHBondContact N-O 2.82Å; K1005-I1012 PolarHBondContact O-N 3.16Å; D1010-I1012 HydrophobicContact CB-CG1 4.43Å; I1012-V1014 HydrophobicContact CG2-CG2 4.16Å; I1012-K1021 HydrophobicContact CG2-CB 3.78Å; I1012-K1021 HydrophobicContact CG2-CG 4.12Å
1013	W	92.2	Very high	87.5	Confident	55 Å²	55	97.8 Å²	97.8	21%	0.208	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.2	172.7	-60.6	85.6	0	0	0	109.9	T1002 R1004 K1021 F1022 P1025 V1028	T1002-W1013 HydrophobicContact CG2-CD2 4.42Å; T1002-W1013 HydrophobicContact CG2-CE3 3.56Å; T1002-W1013 HydrophobicContact CG2-CZ3 3.89Å; R1004-W1013 HydrophobicContact CB-CD2 4.29Å; R1004-W1013 HydrophobicContact CB-CE3 3.81Å; R1004-W1013 HydrophobicContact CB-CH2 4.05Å; R1004-W1013 HydrophobicContact CB-CZ2 4.46Å; R1004-W1013 HydrophobicContact CB-CZ3 3.69Å; R1004-W1013 HydrophobicContact CG-CD2 4.41Å; R1004-W1013 HydrophobicContact CG-CE3 4.39Å; R1004-W1013 HydrophobicContact CG-CH2 4.25Å; R1004-W1013 HydrophobicContact CG-CZ2 4.22Å; R1004-W1013 HydrophobicContact CG-CZ3 4.33Å; W1013-K1021 CarbonylContact O-C 3.58Å; W1013-K1021 WeakPolarHBondContact O-CA 3.44Å; W1013-F1022 PolarHBondContact N-O 2.92Å; W1013-F1022 PolarHBondContact O-N 3.31Å; W1013-P1025 HydrophobicContact CD2-CB 4.17Å; W1013-P1025 HydrophobicContact CE3-CB 4.27Å; W1013-P1025 HydrophobicContact CZ2-CB 4.46Å; W1013-P1025 HydrophobicContact CZ2-CG 4.23Å; W1013-P1025 HydrophobicContact CZ3-CB 4.43Å; W1013-V1028 HydrophobicContact CB-CG2 3.71Å
1014	V	92.2	Very high	87.5	Confident	6 Å²	6	94 Å²	94	4%	0.036	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128	-175.6	-175.7	0	0	0	0	110	R1003 K1005 I1012 P1016 K1020 K1021	R1003-V1014 PolarHBondContact N-O 2.82Å; R1003-V1014 VanDerWaalsContact N-O 3.14Å; R1003-V1014 PolarHBondContact O-N 3.27Å; K1005-V1014 HydrophobicContact CB-CG2 4.33Å; K1005-V1014 HydrophobicContact CD-CB 4.3Å; K1005-V1014 HydrophobicContact CD-CG2 3.82Å; K1005-V1014 HydrophobicContact CG-CB 4.44Å; K1005-V1014 HydrophobicContact CG-CG2 3.97Å; I1012-V1014 HydrophobicContact CG2-CG2 4.16Å; V1014-P1016 WeakPolarHBondContact O-CD 3.42Å; V1014-K1020 WeakPolarHBondContact CA-O 3.47Å; V1014-K1021 HydrophobicContact CG2-CG 4.01Å
1015	C	93.2	Very high	87.5	Confident	0 Å²	0	89.6 Å²	89.6	0%	0	43%	0.431	C	S	.	.			trans	-81.5	121.1	171.4	-171.2	0	0	0	0	109.8	N1001 L1017 N1019 K1020 F1022 V1028	N1001-C1015 WeakPolarHBondContact O-CA 3.41Å; C1015-L1017 VanDerWaalsContact C-N 3.26Å; C1015-L1017 PolarHBondContact O-N 3.29Å; C1015-N1019 WeakPolarHBondContact O-CA 3.39Å; C1015-N1019 PolarHBondContact O-N 2.96Å; C1015-K1020 PolarHBondContact N-O 3.16Å; C1015-F1022 HydrophobicContact CB-CE2 4.39Å; C1015-V1028 HydrophobicContact CB-CG1 4.05Å
1016	P	91.9	Very high	87.8	Confident	43 Å²	43	89.8 Å²	89.8	28%	0.279	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-34.2	174.9	-24.3	35.6	0	0	0	113.1	N1001 R1003 V1014 S1018	N1001-P1016 WeakPolarHBondContact O-CD 3.45Å; R1003-P1016 HydrophobicContact CG-CG 3.94Å; V1014-P1016 WeakPolarHBondContact O-CD 3.42Å; P1016-S1018 VanDerWaalsContact C-N 3.28Å; P1016-S1018 PolarHBondContact O-N 2.74Å
1017	L	90.9	Very high	88.5	Confident	47 Å²	47	88 Å²	88	25%	0.246	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.2	-174.9	-53.9	176.8	0	0	0	114.3	F997 N1001 C1015 H1036 K1039	F997-L1017 HydrophobicContact CE1-CD1 4.01Å; F997-L1017 HydrophobicContact CZ-CD1 3.92Å; N1001-L1017 HydrophobicContact CB-CD1 4.37Å; N1001-L1017 HydrophobicContact CB-CG 4.46Å; N1001-L1017 WeakPolarHBondContact OD1-CD2 3.26Å; N1001-L1017 WeakPolarHBondContact OD1-CG 3.34Å; C1015-L1017 VanDerWaalsContact C-N 3.26Å; C1015-L1017 PolarHBondContact O-N 3.29Å; L1017-H1036 WeakPolarHBondContact CB-NE2 3.48Å; L1017-H1036 HydrophobicContact CD1-CB 4.21Å; L1017-K1039 HydrophobicContact CD1-CD 4.46Å; L1017-K1039 HydrophobicContact CD2-CD 4.31Å
1018	S	90.5	Very high	89.5	Confident	37 Å²	37	80.3 Å²	80.3	26%	0.259	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-7.5	-179	60.9	0	0	0	0	114.8	P1016 K1020 H1031 H1036	P1016-S1018 VanDerWaalsContact C-N 3.28Å; P1016-S1018 PolarHBondContact O-N 2.74Å; S1018-K1020 PolarHBondContact O-N 2.91Å; S1018-K1020 WeakPolarHBondContact OG-CB 2.98Å; S1018-K1020 PolarHBondContact OG-N 2.65Å; S1018-H1031 PolarHBondContact OG-NE2 3.19Å; S1018-H1031 VanDerWaalsContact OG-NE2 3.12Å; S1018-H1036 WeakPolarHBondContact CB-NE2 3.26Å
1019	N	90.2	Very high	90.4	Very high	108 Å²	108	73.3 Å²	73.3	58%	0.578	37%	0.366	S	S	*	.			trans	53.6	10.4	-167.3	-70.5	-72.6	0	0	0	115.8	C1015	C1015-N1019 WeakPolarHBondContact O-CA 3.39Å; C1015-N1019 PolarHBondContact O-N 2.96Å
1020	K	93.9	Very high	91.3	Very high	112 Å²	112	75.3 Å²	75.3	49%	0.487	36%	0.358	S	S	.	.			trans	-66.3	148.4	174.5	-68.3	-174.5	-173.8	-178.2	0	111.1	V1014 C1015 S1018 F1022	V1014-K1020 WeakPolarHBondContact CA-O 3.47Å; C1015-K1020 PolarHBondContact N-O 3.16Å; S1018-K1020 PolarHBondContact O-N 2.91Å; S1018-K1020 WeakPolarHBondContact OG-CB 2.98Å; S1018-K1020 PolarHBondContact OG-N 2.65Å; K1020-F1022 HydrophobicContact CB-CE2 3.54Å; K1020-F1022 HydrophobicContact CB-CZ 3.67Å; K1020-F1022 HydrophobicContact CD-CZ 4.39Å
1021	K	92.5	Very high	92	Very high	142 Å²	142	71.2 Å²	71.2	62%	0.617	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	134.3	-170.9	-67.4	157.3	-170.5	153.1	0	109.5	I1012 W1013 V1014	I1012-K1021 HydrophobicContact CG2-CB 3.78Å; I1012-K1021 HydrophobicContact CG2-CG 4.12Å; W1013-K1021 CarbonylContact O-C 3.58Å; W1013-K1021 WeakPolarHBondContact O-CA 3.44Å; V1014-K1021 HydrophobicContact CG2-CG 4.01Å
1022	F	93.4	Very high	92.5	Very high	43 Å²	43	68.6 Å²	68.6	19%	0.189	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	154.6	-172.2	-60	-83.4	0	0	0	111	W1013 C1015 K1020 V1028 H1031	W1013-F1022 PolarHBondContact N-O 2.92Å; W1013-F1022 PolarHBondContact O-N 3.31Å; C1015-F1022 HydrophobicContact CB-CE2 4.39Å; K1020-F1022 HydrophobicContact CB-CE2 3.54Å; K1020-F1022 HydrophobicContact CB-CZ 3.67Å; K1020-F1022 HydrophobicContact CD-CZ 4.39Å; F1022-V1028 HydrophobicContact CB-CG2 3.89Å; F1022-V1028 HydrophobicContact CD2-CG2 3.73Å; F1022-V1028 HydrophobicContact CG-CG2 4Å; F1022-H1031 HydrophobicContact CE1-CB 3.93Å; F1022-H1031 HydrophobicContact CE2-CB 4.08Å; F1022-H1031 HydrophobicContact CZ-CB 3.41Å; F1022-H1031 VanDerWaalsContact CZ-CB 3.41Å; F1022-H1031 AromaticContact CZ-CG 3.47Å; F1022-H1031 VanDerWaalsContact CZ-CG 3.47Å; F1022-H1031 AromaticContact CZ-ND1 3.85Å
1023	R	89.8	Confident	92.7	Very high	214 Å²	214	69.5 Å²	69.5	81%	0.808	32%	0.324	S	S	*	.	S	Bend	trans	-75.8	-38.6	177.1	-65.9	-172.4	179.7	-158.1	0.7	112.2
1024	D	90.2	Very high	92.8	Very high	77 Å²	77	72.7 Å²	72.7	41%	0.412	35%	0.345	S	S	.	.	S	Bend	trans	-133.8	153.5	-173.7	-56.5	-71.9	0	0	0	111.8	I1026 Y1027	D1024-I1026 PolarHBondContact O-N 3.39Å; D1024-Y1027 HydrophobicContact CB-CD2 3.82Å; D1024-Y1027 HydrophobicContact CB-CE2 4.11Å; D1024-Y1027 PolarHBondContact O-N 3.02Å; D1024-Y1027 WeakPolarHBondContact OD2-CE2 3.4Å
1025	P	92.6	Very high	92.9	Very high	50 Å²	50	79.6 Å²	79.6	33%	0.325	38%	0.375	S	S	.	.	H	α-helix	trans	-66.4	-24.3	-178.8	28.5	-35.2	0	0	0	112.7	T1002 W1013 Y1027 V1028 K1029	T1002-P1025 HydrophobicContact CG2-CB 3.63Å; W1013-P1025 HydrophobicContact CD2-CB 4.17Å; W1013-P1025 HydrophobicContact CE3-CB 4.27Å; W1013-P1025 HydrophobicContact CZ2-CB 4.46Å; W1013-P1025 HydrophobicContact CZ2-CG 4.23Å; W1013-P1025 HydrophobicContact CZ3-CB 4.43Å; P1025-Y1027 VanDerWaalsContact C-N 3.31Å; P1025-Y1027 PolarHBondContact O-N 2.99Å; P1025-V1028 WeakPolarHBondContact O-CA 3.33Å; P1025-V1028 WeakPolarHBondContact O-CB 3.38Å; P1025-V1028 PolarHBondContact O-N 3.39Å; P1025-K1029 PolarHBondContact O-N 2.96Å
1026	I	92.6	Very high	92.9	Very high	117 Å²	117	80.7 Å²	80.7	60%	0.6	38%	0.38	S	S	*	.	H	α-helix	trans	-61.5	-39.9	176.4	-58.8	173.9	0	0	0	110.8	D1024 V1028 K1029 K1030	D1024-I1026 PolarHBondContact O-N 3.39Å; I1026-V1028 VanDerWaalsContact C-N 3.28Å; I1026-V1028 PolarHBondContact O-N 3.48Å; I1026-K1029 PolarHBondContact O-N 3.38Å; I1026-K1030 PolarHBondContact O-N 3.01Å
1027	Y	94.4	Very high	92.9	Very high	134 Å²	134	82.6 Å²	82.6	53%	0.525	39%	0.386	S	S	.	.	H	α-helix	trans	-69.4	-26.4	174.1	-61.2	-71.9	0	0	0	112.4	D1024 P1025 H1031	D1024-Y1027 HydrophobicContact CB-CD2 3.82Å; D1024-Y1027 HydrophobicContact CB-CE2 4.11Å; D1024-Y1027 PolarHBondContact O-N 3.02Å; D1024-Y1027 WeakPolarHBondContact OD2-CE2 3.4Å; P1025-Y1027 VanDerWaalsContact C-N 3.31Å; P1025-Y1027 PolarHBondContact O-N 2.99Å; Y1027-H1031 VanDerWaalsContact O-CB 3.31Å; Y1027-H1031 WeakPolarHBondContact O-CB 3.43Å; Y1027-H1031 PolarHBondContact O-N 3.05Å
1028	V	94.1	Very high	93.1	Very high	0 Å²	0	87.5 Å²	87.5	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-70	-46.1	171.5	-169.9	0	0	0	0	110.6	T1002 W1013 C1015 F1022 P1025 I1026 K1030 H1031 I1032	T1002-V1028 HydrophobicContact CG2-CB 4.08Å; T1002-V1028 HydrophobicContact CG2-CG1 4.21Å; T1002-V1028 HydrophobicContact CG2-CG2 4.21Å; T1002-V1028 WeakPolarHBondContact OG1-CG1 3.46Å; W1013-V1028 HydrophobicContact CB-CG2 3.71Å; C1015-V1028 HydrophobicContact CB-CG1 4.05Å; F1022-V1028 HydrophobicContact CB-CG2 3.89Å; F1022-V1028 HydrophobicContact CD2-CG2 3.73Å; F1022-V1028 HydrophobicContact CG-CG2 4Å; P1025-V1028 WeakPolarHBondContact O-CA 3.33Å; P1025-V1028 WeakPolarHBondContact O-CB 3.38Å; P1025-V1028 PolarHBondContact O-N 3.39Å; I1026-V1028 VanDerWaalsContact C-N 3.28Å; I1026-V1028 PolarHBondContact O-N 3.48Å; V1028-K1030 PolarHBondContact O-N 2.9Å; V1028-H1031 PolarHBondContact O-N 3.35Å; V1028-I1032 HydrophobicContact CG1-CD1 3.86Å; V1028-I1032 HydrophobicContact CG1-CG1 4.37Å; V1028-I1032 WeakPolarHBondContact O-CG1 3.48Å; V1028-I1032 PolarHBondContact O-N 3.14Å
1029	K	94	Very high	93.2	Very high	78 Å²	78	90.2 Å²	90.2	34%	0.339	42%	0.415	S	S	.	.	H	α-helix	trans	-56.3	-48.4	173.9	179.7	156	-175.2	178.7	0	111.1	E995 I998 P1025 I1026 I1032 L1033	E995-K1029 IonicContact OE1-NZ 3.3Å; E995-K1029 PolarHBondContact OE1-NZ 2.83Å; I998-K1029 HydrophobicContact CD1-CD 4.15Å; I998-K1029 HydrophobicContact CD1-CG 4.04Å; I998-K1029 HydrophobicContact CG2-CB 3.89Å; I998-K1029 HydrophobicContact CG2-CD 4.18Å; I998-K1029 HydrophobicContact CG2-CG 4.04Å; P1025-K1029 PolarHBondContact O-N 2.96Å; I1026-K1029 PolarHBondContact O-N 3.38Å; K1029-I1032 PolarHBondContact O-N 2.91Å; K1029-L1033 HydrophobicContact CG-CD1 4.05Å; K1029-L1033 WeakPolarHBondContact O-CG 3.35Å; K1029-L1033 PolarHBondContact O-N 3.45Å; K1029-L1033 VanDerWaalsContact O-N 3.09Å
1030	K	94.7	Very high	93.4	Very high	131 Å²	131	85.2 Å²	85.2	57%	0.57	39%	0.388	S	S	*	.	H	α-helix	trans	-63.1	-39.9	175	-70	-171.1	176.4	-169.2	0	113.3	I1026 V1028 N1034	I1026-K1030 PolarHBondContact O-N 3.01Å; V1028-K1030 PolarHBondContact O-N 2.9Å; K1030-N1034 VanDerWaalsContact O-CB 3.29Å; K1030-N1034 WeakPolarHBondContact O-CB 3.33Å; K1030-N1034 PolarHBondContact O-N 2.87Å; K1030-N1034 PolarHBondContact O-OD1 3.16Å; K1030-N1034 VanDerWaalsContact O-OD1 3.05Å
1031	H	94.6	Very high	93.3	Very high	19 Å²	19	84.8 Å²	84.8	9%	0.088	39%	0.388	C	S	.	.	H	α-helix	trans	-64.5	-42.7	175.1	167.9	80.1	0	0	0	112.3	S1018 F1022 Y1027 V1028 K1035 H1036	S1018-H1031 PolarHBondContact OG-NE2 3.19Å; S1018-H1031 VanDerWaalsContact OG-NE2 3.12Å; F1022-H1031 HydrophobicContact CE1-CB 3.93Å; F1022-H1031 HydrophobicContact CE2-CB 4.08Å; F1022-H1031 HydrophobicContact CZ-CB 3.41Å; F1022-H1031 VanDerWaalsContact CZ-CB 3.41Å; F1022-H1031 AromaticContact CZ-CG 3.47Å; F1022-H1031 VanDerWaalsContact CZ-CG 3.47Å; F1022-H1031 AromaticContact CZ-ND1 3.85Å; Y1027-H1031 VanDerWaalsContact O-CB 3.31Å; Y1027-H1031 WeakPolarHBondContact O-CB 3.43Å; Y1027-H1031 PolarHBondContact O-N 3.05Å; V1028-H1031 PolarHBondContact O-N 3.35Å; H1031-K1035 WeakPolarHBondContact O-CB 3.45Å; H1031-K1035 PolarHBondContact O-N 2.62Å; H1031-H1036 AromaticContact CD2-CD2 3.91Å; H1031-H1036 AromaticContact CD2-NE2 3.94Å; H1031-H1036 AromaticContact CE1-NE2 3.78Å; H1031-H1036 AromaticContact NE2-CD2 3.27Å; H1031-H1036 PolarHBondContact NE2-CD2 3.13Å; H1031-H1036 VanDerWaalsContact NE2-CD2 3.27Å; H1031-H1036 AromaticContact NE2-CE1 3.9Å; H1031-H1036 AromaticContact NE2-NE2 2.93Å; H1031-H1036 PolarHBondContact NE2-NE2 2.91Å
1032	I	94.7	Very high	93.2	Very high	0 Å²	0	80 Å²	80	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-62.9	-49.9	-179.9	-70.1	167.7	0	0	0	110	F997 I998 N1001 V1028 K1029 H1036 V1040	F997-I1032 HydrophobicContact CD1-CG2 4.43Å; F997-I1032 HydrophobicContact CE1-CG2 4.15Å; I998-I1032 HydrophobicContact CG1-CG2 4.17Å; I998-I1032 HydrophobicContact CG2-CD1 4.39Å; N1001-I1032 HydrophobicContact CB-CD1 3.66Å; V1028-I1032 HydrophobicContact CG1-CD1 3.86Å; V1028-I1032 HydrophobicContact CG1-CG1 4.37Å; V1028-I1032 WeakPolarHBondContact O-CG1 3.48Å; V1028-I1032 PolarHBondContact O-N 3.14Å; K1029-I1032 PolarHBondContact O-N 2.91Å; I1032-H1036 CarbonylContact O-C 3.47Å; I1032-H1036 VanDerWaalsContact O-CA 3.3Å; I1032-H1036 WeakPolarHBondContact O-CA 3.44Å; I1032-H1036 WeakPolarHBondContact O-CB 3.28Å; I1032-H1036 PolarHBondContact O-N 2.85Å; I1032-V1040 HydrophobicContact CG2-CG2 3.62Å
1033	L	93.8	Very high	93.1	Very high	46 Å²	46	78.2 Å²	78.2	24%	0.241	37%	0.368	C	S	.	.	H	α-helix	trans	-62.9	-48.8	178.8	-65.4	168.5	0	0	0	111.7	I998 K1029 K1035 M1037 V1040	I998-L1033 HydrophobicContact CD1-CD2 4.42Å; K1029-L1033 HydrophobicContact CG-CD1 4.05Å; K1029-L1033 WeakPolarHBondContact O-CG 3.35Å; K1029-L1033 PolarHBondContact O-N 3.45Å; K1029-L1033 VanDerWaalsContact O-N 3.09Å; L1033-K1035 PolarHBondContact O-N 3.22Å; L1033-M1037 HydrophobicContact CB-CE 4.29Å; L1033-M1037 HydrophobicContact CD2-CE 4.37Å; L1033-M1037 HydrophobicContact CD2-SD 4.06Å; L1033-M1037 WeakPolarHBondContact O-CE 3.44Å; L1033-V1040 HydrophobicContact CD2-CG1 4.41Å
1034	N	94.9	Very high	93.3	Very high	122 Å²	122	70.2 Å²	70.2	65%	0.652	34%	0.34	S	S	*	.	H	α-helix	trans	-80.4	-11.7	-172.9	-65.9	44	0	0	0	115.1	K1030	K1030-N1034 VanDerWaalsContact O-CB 3.29Å; K1030-N1034 WeakPolarHBondContact O-CB 3.33Å; K1030-N1034 PolarHBondContact O-N 2.87Å; K1030-N1034 PolarHBondContact O-OD1 3.16Å; K1030-N1034 VanDerWaalsContact O-OD1 3.05Å
1035	K	93.6	Very high	93.4	Very high	152 Å²	152	70 Å²	70	66%	0.661	34%	0.335	S	S	*	.	H	α-helix	trans	-137.7	0.3	-176.6	-65.7	-64.2	166.9	-162.5	0	115.6	H1031 L1033	H1031-K1035 WeakPolarHBondContact O-CB 3.45Å; H1031-K1035 PolarHBondContact O-N 2.62Å; L1033-K1035 PolarHBondContact O-N 3.22Å
1036	H	93.7	Very high	93.2	Very high	23 Å²	23	70.8 Å²	70.8	11%	0.106	34%	0.336	C	S	.	.			trans	-140	31.7	174.1	-59	-46	0	0	0	112	L1017 S1018 H1031 I1032 E1038 K1039 V1040	L1017-H1036 WeakPolarHBondContact CB-NE2 3.48Å; L1017-H1036 HydrophobicContact CD1-CB 4.21Å; S1018-H1036 WeakPolarHBondContact CB-NE2 3.26Å; H1031-H1036 AromaticContact CD2-CD2 3.91Å; H1031-H1036 AromaticContact CD2-NE2 3.94Å; H1031-H1036 AromaticContact CE1-NE2 3.78Å; H1031-H1036 AromaticContact NE2-CD2 3.27Å; H1031-H1036 PolarHBondContact NE2-CD2 3.13Å; H1031-H1036 VanDerWaalsContact NE2-CD2 3.27Å; H1031-H1036 AromaticContact NE2-CE1 3.9Å; H1031-H1036 AromaticContact NE2-NE2 2.93Å; H1031-H1036 PolarHBondContact NE2-NE2 2.91Å; I1032-H1036 CarbonylContact O-C 3.47Å; I1032-H1036 VanDerWaalsContact O-CA 3.3Å; I1032-H1036 WeakPolarHBondContact O-CA 3.44Å; I1032-H1036 WeakPolarHBondContact O-CB 3.28Å; I1032-H1036 PolarHBondContact O-N 2.85Å; H1036-E1038 VanDerWaalsContact C-N 3.27Å; H1036-E1038 PolarHBondContact O-N 3.41Å; H1036-K1039 HydrophobicContact CB-CB 4.39Å; H1036-K1039 HydrophobicContact CB-CD 4.47Å; H1036-K1039 HydrophobicContact CB-CG 4.46Å; H1036-K1039 WeakPolarHBondContact O-CB 3.45Å; H1036-K1039 PolarHBondContact O-N 3.37Å; H1036-V1040 PolarHBondContact O-N 3.11Å
1037	M	92.7	Very high	92.9	Very high	83 Å²	83	68.3 Å²	68.3	41%	0.409	32%	0.324	S	S	.	.	H	α-helix	trans	-56.4	-41.8	-177.7	-160.5	69.4	89.9	0	0	111.9	L1033 K1039 V1040 E1041	L1033-M1037 HydrophobicContact CB-CE 4.29Å; L1033-M1037 HydrophobicContact CD2-CE 4.37Å; L1033-M1037 HydrophobicContact CD2-SD 4.06Å; L1033-M1037 WeakPolarHBondContact O-CE 3.44Å; M1037-K1039 PolarHBondContact O-N 2.89Å; M1037-V1040 CarbonylContact O-C 3.33Å; M1037-V1040 WeakPolarHBondContact O-CA 3.42Å; M1037-V1040 WeakPolarHBondContact O-CB 3.35Å; M1037-V1040 PolarHBondContact O-N 3.26Å; M1037-V1040 HydrophobicContact SD-CB 4.3Å; M1037-V1040 HydrophobicContact SD-CG1 4.47Å; M1037-E1041 HydrophobicContact CG-CG 4.24Å; M1037-E1041 WeakPolarHBondContact CG-OE1 3.49Å; M1037-E1041 PolarHBondContact O-N 2.91Å
1038	E	93.3	Very high	92.7	Very high	150 Å²	150	61.9 Å²	61.9	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-42.8	-42	169.6	-60.4	155.6	-166.4	0	0	113.4	H1036 A1042	H1036-E1038 VanDerWaalsContact C-N 3.27Å; H1036-E1038 PolarHBondContact O-N 3.41Å; E1038-A1042 VanDerWaalsContact O-CB 3.29Å; E1038-A1042 WeakPolarHBondContact O-CB 3.46Å; E1038-A1042 PolarHBondContact O-N 3.04Å
1039	K	93.2	Very high	92.6	Very high	93 Å²	93	66.8 Å²	66.8	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-82.7	-24.9	-177.7	-55.2	-170.1	177.8	-173	0	112.5	F997 L1017 H1036 M1037 A1043	F997-K1039 HydrophobicContact CE1-CB 4.43Å; F997-K1039 HydrophobicContact CZ-CB 3.93Å; F997-K1039 WeakPolarHBondContact CZ-O 3.46Å; L1017-K1039 HydrophobicContact CD1-CD 4.46Å; L1017-K1039 HydrophobicContact CD2-CD 4.31Å; H1036-K1039 HydrophobicContact CB-CB 4.39Å; H1036-K1039 HydrophobicContact CB-CD 4.47Å; H1036-K1039 HydrophobicContact CB-CG 4.46Å; H1036-K1039 WeakPolarHBondContact O-CB 3.45Å; H1036-K1039 PolarHBondContact O-N 3.37Å; M1037-K1039 PolarHBondContact O-N 2.89Å; K1039-A1043 WeakPolarHBondContact O-CB 3.31Å; K1039-A1043 PolarHBondContact O-N 2.79Å; K1039-A1043 VanDerWaalsContact O-N 3.16Å
1040	V	93.5	Very high	92.5	Very high	4 Å²	4	63.4 Å²	63.4	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-74.1	-40.4	171	-178.6	0	0	0	0	109.8	V994 F997 I1032 L1033 H1036 M1037 A1043 K1044	V994-V1040 HydrophobicContact CB-CG1 4.2Å; V994-V1040 HydrophobicContact CG1-CG1 3.74Å; V994-V1040 HydrophobicContact CG2-CG1 3.46Å; V994-V1040 VanDerWaalsContact CG2-CG1 3.46Å; F997-V1040 HydrophobicContact CD1-CG2 4.07Å; F997-V1040 HydrophobicContact CE1-CG2 3.92Å; I1032-V1040 HydrophobicContact CG2-CG2 3.62Å; L1033-V1040 HydrophobicContact CD2-CG1 4.41Å; H1036-V1040 PolarHBondContact O-N 3.11Å; M1037-V1040 CarbonylContact O-C 3.33Å; M1037-V1040 WeakPolarHBondContact O-CA 3.42Å; M1037-V1040 WeakPolarHBondContact O-CB 3.35Å; M1037-V1040 PolarHBondContact O-N 3.26Å; M1037-V1040 HydrophobicContact SD-CB 4.3Å; M1037-V1040 HydrophobicContact SD-CG1 4.47Å; V1040-A1043 PolarHBondContact O-N 2.99Å; V1040-K1044 PolarHBondContact O-N 2.91Å
1041	E	92.4	Very high	92.4	Very high	102 Å²	102	57.3 Å²	57.3	48%	0.477	28%	0.277	S	S	.	.	H	α-helix	trans	-70.5	-43.2	176.3	-72.5	169.5	-167.4	0	0	112	M1037 A1043 K1044 K1045	M1037-E1041 HydrophobicContact CG-CG 4.24Å; M1037-E1041 WeakPolarHBondContact CG-OE1 3.49Å; M1037-E1041 PolarHBondContact O-N 2.91Å; E1041-A1043 VanDerWaalsContact C-N 3.3Å; E1041-A1043 PolarHBondContact O-N 3.18Å; E1041-K1044 WeakPolarHBondContact O-CB 3.5Å; E1041-K1044 PolarHBondContact O-N 3.02Å; E1041-K1044 VanDerWaalsContact O-N 3.13Å; E1041-K1045 WeakPolarHBondContact O-CG 3.38Å; E1041-K1045 PolarHBondContact O-N 3.43Å
1042	A	91.5	Very high	92.2	Very high	41 Å²	41	56.7 Å²	56.7	34%	0.339	28%	0.275	S	S	.	.	H	α-helix	trans	-56.1	-45.1	168.8	0	0	0	0	0	111.2	E1038 K1044 K1045 D1046	E1038-A1042 VanDerWaalsContact O-CB 3.29Å; E1038-A1042 WeakPolarHBondContact O-CB 3.46Å; E1038-A1042 PolarHBondContact O-N 3.04Å; A1042-K1044 PolarHBondContact O-N 3.3Å; A1042-K1045 WeakPolarHBondContact O-CB 3.44Å; A1042-K1045 PolarHBondContact O-N 3.27Å; A1042-K1045 VanDerWaalsContact O-N 3.16Å; A1042-D1046 WeakPolarHBondContact O-CB 3.34Å; A1042-D1046 PolarHBondContact O-N 3.11Å
1043	A	91.5	Very high	92	Very high	7 Å²	7	58.7 Å²	58.7	6%	0.058	29%	0.285	C	S	.	.	H	α-helix	trans	-63.3	-36.2	175.2	0	0	0	0	0	113.3	V993 F997 K1039 V1040 E1041 N1047	V993-A1043 WeakPolarHBondContact CG1-O 3.34Å; F997-A1043 HydrophobicContact CB-CB 4.34Å; F997-A1043 HydrophobicContact CD2-CB 3.65Å; F997-A1043 HydrophobicContact CE2-CB 4.06Å; F997-A1043 HydrophobicContact CG-CB 3.97Å; K1039-A1043 WeakPolarHBondContact O-CB 3.31Å; K1039-A1043 PolarHBondContact O-N 2.79Å; K1039-A1043 VanDerWaalsContact O-N 3.16Å; V1040-A1043 PolarHBondContact O-N 2.99Å; E1041-A1043 VanDerWaalsContact C-N 3.3Å; E1041-A1043 PolarHBondContact O-N 3.18Å; A1043-N1047 WeakPolarHBondContact O-CB 3.32Å; A1043-N1047 PolarHBondContact O-N 3.34Å; A1043-N1047 VanDerWaalsContact O-N 3.07Å
1044	K	92.9	Very high	91.9	Very high	46 Å²	46	56.5 Å²	56.5	20%	0.2	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-46.1	170.4	-76.1	-168.6	171.9	-156.4	0	111.4	A990 D991 V994 V1040 E1041 A1042 A1048 Y1049	A990-K1044 HydrophobicContact CB-CD 4.07Å; A990-K1044 HydrophobicContact CB-CG 4.29Å; D991-K1044 IonicContact OD1-NZ 2.71Å; D991-K1044 PolarHBondContact OD1-NZ 3.33Å; V994-K1044 HydrophobicContact CG2-CD 4.04Å; V994-K1044 HydrophobicContact CG2-CG 3.64Å; V1040-K1044 PolarHBondContact O-N 2.91Å; E1041-K1044 WeakPolarHBondContact O-CB 3.5Å; E1041-K1044 PolarHBondContact O-N 3.02Å; E1041-K1044 VanDerWaalsContact O-N 3.13Å; A1042-K1044 PolarHBondContact O-N 3.3Å; K1044-A1048 WeakPolarHBondContact O-CA 3.48Å; K1044-A1048 WeakPolarHBondContact O-CB 3.49Å; K1044-A1048 PolarHBondContact O-N 2.82Å; K1044-Y1049 HydrophobicContact CB-CD2 4.29Å; K1044-Y1049 HydrophobicContact CB-CE2 3.89Å; K1044-Y1049 PolarHBondContact O-N 3.09Å
1045	K	91.5	Very high	91.7	Very high	72 Å²	72	50.7 Å²	50.7	31%	0.313	24%	0.243	S	C	.	.	I	π-helix	trans	-60.8	-56.6	178.9	-72.4	177.4	174.7	-168	0	111.6	P91 D92 E1041 A1042 Y1049 F1050	P91-K1045 HydrophobicContact CG-CB 3.7Å; P91-K1045 HydrophobicContact CG-CD 4.24Å; P91-K1045 HydrophobicContact CG-CG 3.72Å; D92-K1045 WeakPolarHBondContact OD1-CD 3.46Å; D92-K1045 VanDerWaalsContact OD1-CE 3.28Å; D92-K1045 WeakPolarHBondContact OD1-CE 3.46Å; D92-K1045 IonicContact OD1-NZ 2.7Å; D92-K1045 PolarHBondContact OD1-NZ 3.25Å; D92-K1045 IonicContact OD2-NZ 3.91Å; E1041-K1045 WeakPolarHBondContact O-CG 3.38Å; E1041-K1045 PolarHBondContact O-N 3.43Å; A1042-K1045 WeakPolarHBondContact O-CB 3.44Å; A1042-K1045 PolarHBondContact O-N 3.27Å; A1042-K1045 VanDerWaalsContact O-N 3.16Å; K1045-Y1049 HydrophobicContact CG-CD2 4.33Å; K1045-F1050 WeakPolarHBondContact O-CB 3.34Å; K1045-F1050 PolarHBondContact O-N 3.08Å
1046	D	88.4	Confident	91.3	Very high	66 Å²	66	45.6 Å²	45.6	35%	0.353	22%	0.222	S	C	.	.	I	π-helix	trans	-66.2	-44.7	-175.3	-69.7	-28.1	0	0	0	113.1	H90 A1042	H90-D1046 IonicContact CD2-OD1 2.59Å; H90-D1046 IonicContact NE2-OD1 2.81Å; H90-D1046 PolarHBondContact NE2-OD1 3.27Å; A1042-D1046 WeakPolarHBondContact O-CB 3.34Å; A1042-D1046 PolarHBondContact O-N 3.11Å
1047	N	88	Confident	90.9	Very high	65 Å²	65	45.9 Å²	45.9	35%	0.348	23%	0.225	S	C	.	.	I	π-helix	trans	-100.9	-24.6	-169.1	-61.4	-40.3	0	0	0	114.4	R988 V993 A1043	R988-N1047 WeakPolarHBondContact CD-O 3.43Å; R988-N1047 PolarHBondContact NH1-O 3.11Å; V993-N1047 HydrophobicContact CG1-CB 3.74Å; V993-N1047 HydrophobicContact CG2-CB 4.3Å; A1043-N1047 WeakPolarHBondContact O-CB 3.32Å; A1043-N1047 PolarHBondContact O-N 3.34Å; A1043-N1047 VanDerWaalsContact O-N 3.07Å
1048	A	90.2	Very high	90.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	I	π-helix	trans	-106.2	-65.5	177.1	0	0	0	0	0	111.6	R988 A990 V993 K1044 F1050 F1051 N1052	R988-A1048 HydrophobicContact CB-CB 4.48Å; A990-A1048 HydrophobicContact CB-CB 4.27Å; V993-A1048 HydrophobicContact CB-CB 4.5Å; V993-A1048 HydrophobicContact CG2-CB 4.11Å; K1044-A1048 WeakPolarHBondContact O-CA 3.48Å; K1044-A1048 WeakPolarHBondContact O-CB 3.49Å; K1044-A1048 PolarHBondContact O-N 2.82Å; A1048-F1050 PolarHBondContact O-N 2.8Å; A1048-F1051 PolarHBondContact O-N 3.32Å; A1048-N1052 VanDerWaalsContact O-CB 3.31Å; A1048-N1052 WeakPolarHBondContact O-CB 3.45Å; A1048-N1052 PolarHBondContact O-N 3.41Å; A1048-N1052 PolarHBondContact O-OD1 2.77Å
1049	Y	91	Very high	89.8	Confident	103 Å²	103	36 Å²	36	40%	0.404	18%	0.181	S	C	.	.	I	π-helix	trans	-64.9	-45.8	-170.7	-59.8	-47.8	0	0	0	112.8	A990 K1044 K1045 F1051 N1052 N1053	A990-Y1049 HydrophobicContact CB-CE1 4.21Å; K1044-Y1049 HydrophobicContact CB-CD2 4.29Å; K1044-Y1049 HydrophobicContact CB-CE2 3.89Å; K1044-Y1049 PolarHBondContact O-N 3.09Å; K1045-Y1049 HydrophobicContact CG-CD2 4.33Å; Y1049-F1051 VanDerWaalsContact C-N 3.33Å; Y1049-F1051 PolarHBondContact O-N 2.86Å; Y1049-N1052 PolarHBondContact O-N 2.9Å; Y1049-N1053 WeakPolarHBondContact O-CB 3.22Å; Y1049-N1053 PolarHBondContact O-N 3.41Å; Y1049-N1053 PolarHBondContact O-ND2 3.12Å; Y1049-N1053 PolarHBondContact O-OD1 3.43Å
1050	F	92.6	Very high	89.4	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-58.8	-40.8	177.6	-175.8	-165.8	0	0	0	112.6	F76 K80 F85 R86 H90 K1045 A1048 Y1054	F76-F1050 HydrophobicContact CE2-CB 4.43Å; F76-F1050 HydrophobicContact CE2-CD1 4.05Å; F76-F1050 AromaticContact CE2-CD2 3.9Å; F76-F1050 HydrophobicContact CE2-CD2 3.9Å; F76-F1050 HydrophobicContact CE2-CE1 4.34Å; F76-F1050 HydrophobicContact CE2-CE2 4.19Å; F76-F1050 AromaticContact CE2-CG 3.83Å; F76-F1050 HydrophobicContact CE2-CG 3.83Å; F76-F1050 HydrophobicContact CE2-CZ 4.42Å; F76-F1050 HydrophobicContact CZ-CB 4.3Å; F76-F1050 AromaticContact CZ-CD1 3.69Å; F76-F1050 HydrophobicContact CZ-CD1 3.69Å; F76-F1050 HydrophobicContact CZ-CD2 4.36Å; F76-F1050 HydrophobicContact CZ-CE1 4.12Å; F76-F1050 AromaticContact CZ-CG 3.84Å; F76-F1050 HydrophobicContact CZ-CG 3.84Å; K80-F1050 HydrophobicContact CB-CE1 3.8Å; K80-F1050 HydrophobicContact CB-CZ 4.06Å; F85-F1050 AromaticContact CD1-CE2 3.63Å; F85-F1050 HydrophobicContact CD1-CE2 3.63Å; F85-F1050 AromaticContact CD1-CZ 3.65Å; F85-F1050 HydrophobicContact CD1-CZ 3.65Å; F85-F1050 HydrophobicContact CE1-CD2 4.47Å; F85-F1050 AromaticContact CE1-CE2 3.63Å; F85-F1050 HydrophobicContact CE1-CE2 3.63Å; F85-F1050 AromaticContact CE1-CZ 3.89Å; F85-F1050 HydrophobicContact CE1-CZ 3.89Å; R86-F1050 HydrophobicContact CG-CE1 4.41Å; R86-F1050 HydrophobicContact CG-CZ 3.86Å; H90-F1050 HydrophobicContact CB-CD1 4.46Å; H90-F1050 HydrophobicContact CB-CD2 3.85Å; H90-F1050 HydrophobicContact CB-CE1 4.44Å; H90-F1050 HydrophobicContact CB-CE2 3.83Å; H90-F1050 HydrophobicContact CB-CG 4.17Å; H90-F1050 HydrophobicContact CB-CZ 4.13Å; H90-F1050 AromaticContact CD2-CD1 3.75Å; H90-F1050 AromaticContact CD2-CE1 3.81Å; K1045-F1050 WeakPolarHBondContact O-CB 3.34Å; K1045-F1050 PolarHBondContact O-N 3.08Å; A1048-F1050 PolarHBondContact O-N 2.8Å; F1050-Y1054 PolarHBondContact O-N 3.1Å
1051	F	91.4	Very high	88.8	Confident	3 Å²	3	32.8 Å²	32.8	1%	0.013	17%	0.169	C	C	.	.	H	α-helix	trans	-72.3	-42.3	176	-173	-104.9	0	0	0	112.4	F76 G986 R988 A1048 Y1049 N1053 Y1054 L1055	F76-F1051 HydrophobicContact CB-CD2 4Å; F76-F1051 HydrophobicContact CB-CE2 3.98Å; F76-F1051 AromaticContact CD1-CD2 3.79Å; F76-F1051 HydrophobicContact CD1-CD2 3.79Å; F76-F1051 HydrophobicContact CD1-CE2 4.39Å; F76-F1051 AromaticContact CD2-CD2 3.7Å; F76-F1051 HydrophobicContact CD2-CD2 3.7Å; F76-F1051 HydrophobicContact CD2-CE2 4.49Å; F76-F1051 HydrophobicContact CE1-CB 4.47Å; F76-F1051 HydrophobicContact CE1-CD2 4.16Å; F76-F1051 HydrophobicContact CE2-CB 4.08Å; F76-F1051 HydrophobicContact CE2-CD2 4.09Å; F76-F1051 AromaticContact CG-CD2 3.55Å; F76-F1051 HydrophobicContact CG-CD2 3.55Å; F76-F1051 HydrophobicContact CG-CE2 4.06Å; F76-F1051 HydrophobicContact CZ-CB 4.05Å; F76-F1051 HydrophobicContact CZ-CD2 4.3Å; G986-F1051 WeakPolarHBondContact O-CE1 3.38Å; R988-F1051 HydrophobicContact CG-CD1 3.81Å; R988-F1051 HydrophobicContact CG-CE1 4.23Å; R988-F1051 VanDerWaalsContact NE-CD1 3.35Å; A1048-F1051 PolarHBondContact O-N 3.32Å; Y1049-F1051 VanDerWaalsContact C-N 3.33Å; Y1049-F1051 PolarHBondContact O-N 2.86Å; F1051-N1053 PolarHBondContact O-N 3.25Å; F1051-Y1054 WeakPolarHBondContact O-CB 3.01Å; F1051-Y1054 PolarHBondContact O-N 2.9Å; F1051-L1055 HydrophobicContact CD1-CD1 3.97Å; F1051-L1055 HydrophobicContact CD1-CG 4.22Å; F1051-L1055 HydrophobicContact CE1-CD1 3.56Å; F1051-L1055 HydrophobicContact CE1-CD2 4.37Å; F1051-L1055 HydrophobicContact CE1-CG 3.95Å; F1051-L1055 HydrophobicContact CZ-CD1 4.28Å; F1051-L1055 HydrophobicContact CZ-CD2 4.3Å; F1051-L1055 HydrophobicContact CZ-CG 4.32Å; F1051-L1055 PolarHBondContact O-N 2.91Å
1052	N	92.1	Very high	88.1	Confident	6 Å²	6	31.5 Å²	31.5	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-40.6	178.2	-71.5	-5.1	0	0	0	111.4	Y987 R988 A1048 Y1049 Y1054 L1055 L1056	Y987-N1052 HydrophobicContact CD2-CB 3.91Å; Y987-N1052 VanDerWaalsContact CD2-CG 3.45Å; Y987-N1052 WeakPolarHBondContact CD2-OD1 3.22Å; Y987-N1052 HydrophobicContact CE2-CB 3.55Å; Y987-N1052 WeakPolarHBondContact CE2-ND2 3.3Å; R988-N1052 PolarHBondContact N-OD1 3.46Å; R988-N1052 PolarHBondContact O-ND2 3.28Å; A1048-N1052 VanDerWaalsContact O-CB 3.31Å; A1048-N1052 WeakPolarHBondContact O-CB 3.45Å; A1048-N1052 PolarHBondContact O-N 3.41Å; A1048-N1052 PolarHBondContact O-OD1 2.77Å; Y1049-N1052 PolarHBondContact O-N 2.9Å; N1052-Y1054 VanDerWaalsContact C-N 3.33Å; N1052-Y1054 PolarHBondContact O-N 3.33Å; N1052-L1055 PolarHBondContact O-N 3.24Å; N1052-L1055 VanDerWaalsContact O-N 3.08Å; N1052-L1056 VanDerWaalsContact O-CG 3.26Å; N1052-L1056 WeakPolarHBondContact O-CG 3.39Å; N1052-L1056 PolarHBondContact O-N 3.06Å
1053	N	90.8	Very high	87.3	Confident	42 Å²	42	30.7 Å²	30.7	23%	0.225	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-42	173.2	-67.6	-14.3	0	0	0	111.6	Y89 Y1049 F1051 L1055 L1056 D1057	Y89-N1053 HydrophobicContact CD1-CB 4.5Å; Y89-N1053 WeakPolarHBondContact O-CB 3.31Å; Y89-N1053 PolarHBondContact O-ND2 3.33Å; Y1049-N1053 WeakPolarHBondContact O-CB 3.22Å; Y1049-N1053 PolarHBondContact O-N 3.41Å; Y1049-N1053 PolarHBondContact O-ND2 3.12Å; Y1049-N1053 PolarHBondContact O-OD1 3.43Å; F1051-N1053 PolarHBondContact O-N 3.25Å; N1053-L1055 VanDerWaalsContact C-N 3.33Å; N1053-L1055 PolarHBondContact O-N 3.26Å; N1053-L1056 PolarHBondContact O-N 2.87Å; N1053-D1057 PolarHBondContact O-N 3.28Å
1054	Y	90.7	Very high	86.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-33.9	172.7	171.5	-109.3	0	0	0	112.9	L72 F75 F76 F85 Y89 F1050 F1051 N1052 R1060 P1061	L72-Y1054 HydrophobicContact CB-CE1 4.27Å; L72-Y1054 HydrophobicContact CD2-CE1 4.1Å; L72-Y1054 WeakPolarHBondContact CD2-OH 3.43Å; F75-Y1054 AromaticContact CD1-CE2 3.95Å; F75-Y1054 HydrophobicContact CD1-CE2 3.95Å; F75-Y1054 AromaticContact CD1-CZ 3.71Å; F75-Y1054 VanDerWaalsContact CD1-OH 3.26Å; F75-Y1054 WeakPolarHBondContact CD1-OH 3.44Å; F75-Y1054 HydrophobicContact CE1-CE2 4.15Å; F76-Y1054 HydrophobicContact CB-CD1 4.32Å; F76-Y1054 HydrophobicContact CB-CE1 4.39Å; F76-Y1054 HydrophobicContact CD2-CD1 4.2Å; F76-Y1054 HydrophobicContact CD2-CG 4.34Å; F85-Y1054 AromaticContact CE2-CD2 3.67Å; F85-Y1054 HydrophobicContact CE2-CD2 3.67Å; F85-Y1054 AromaticContact CE2-CE2 3.9Å; F85-Y1054 HydrophobicContact CE2-CE2 3.9Å; F85-Y1054 HydrophobicContact CE2-CG 4.42Å; F85-Y1054 AromaticContact CZ-CD2 3.58Å; F85-Y1054 HydrophobicContact CZ-CD2 3.58Å; F85-Y1054 HydrophobicContact CZ-CE2 4.09Å; F85-Y1054 AromaticContact CZ-CG 3.86Å; F85-Y1054 HydrophobicContact CZ-CG 3.86Å; Y89-Y1054 HydrophobicContact CD2-CD2 4.18Å; Y89-Y1054 HydrophobicContact CE1-CD2 4.46Å; Y89-Y1054 AromaticContact CE2-CD2 3.83Å; Y89-Y1054 HydrophobicContact CE2-CD2 3.83Å; Y89-Y1054 AromaticContact CZ-CD2 3.98Å; F1050-Y1054 PolarHBondContact O-N 3.1Å; F1051-Y1054 WeakPolarHBondContact O-CB 3.01Å; F1051-Y1054 PolarHBondContact O-N 2.9Å; N1052-Y1054 VanDerWaalsContact C-N 3.33Å; N1052-Y1054 PolarHBondContact O-N 3.33Å; Y1054-R1060 HydrophobicContact CD2-CB 4.03Å; Y1054-R1060 HydrophobicContact CE2-CB 3.7Å; Y1054-R1060 HydrophobicContact CE2-CG 4.13Å; Y1054-R1060 WeakPolarHBondContact O-CD 3.22Å; Y1054-P1061 WeakPolarHBondContact CE2-O 3.25Å; Y1054-P1061 PolarHBondContact OH-O 3.08Å
1055	L	90.1	Very high	85.2	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-74.7	-37.7	175.7	-71	-173.8	0	0	0	113.8	L72 L977 C982 L985 F1051 N1052 N1053 D1057 R1060	L72-L1055 HydrophobicContact CD1-CD2 3.96Å; L977-L1055 WeakPolarHBondContact CD1-O 3.14Å; C982-L1055 HydrophobicContact CB-CB 4.48Å; L985-L1055 HydrophobicContact CB-CD1 4.28Å; L985-L1055 HydrophobicContact CB-CD2 4Å; F1051-L1055 HydrophobicContact CD1-CD1 3.97Å; F1051-L1055 HydrophobicContact CD1-CG 4.22Å; F1051-L1055 HydrophobicContact CE1-CD1 3.56Å; F1051-L1055 HydrophobicContact CE1-CD2 4.37Å; F1051-L1055 HydrophobicContact CE1-CG 3.95Å; F1051-L1055 HydrophobicContact CZ-CD1 4.28Å; F1051-L1055 HydrophobicContact CZ-CD2 4.3Å; F1051-L1055 HydrophobicContact CZ-CG 4.32Å; F1051-L1055 PolarHBondContact O-N 2.91Å; N1052-L1055 PolarHBondContact O-N 3.24Å; N1052-L1055 VanDerWaalsContact O-N 3.08Å; N1053-L1055 VanDerWaalsContact C-N 3.33Å; N1053-L1055 PolarHBondContact O-N 3.26Å; L1055-D1057 VanDerWaalsContact C-N 3.26Å; L1055-D1057 PolarHBondContact O-N 2.81Å; L1055-R1060 PolarHBondContact O-NH1 2.87Å
1056	L	86.7	Confident	84.2	Confident	44 Å²	44	33.8 Å²	33.8	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-30	-179.4	-73.8	166.1	0	0	0	112.5	L977 N1052 N1053 P1058	L977-L1056 PolarHBondContact N-O 3.11Å; L977-L1056 WeakPolarHBondContact O-CD2 3.47Å; N1052-L1056 VanDerWaalsContact O-CG 3.26Å; N1052-L1056 WeakPolarHBondContact O-CG 3.39Å; N1052-L1056 PolarHBondContact O-N 3.06Å; N1053-L1056 PolarHBondContact O-N 2.87Å; L1056-P1058 VanDerWaalsContact O-CD 3.31Å; L1056-P1058 WeakPolarHBondContact O-CD 3.47Å
1057	D	85.2	Confident	83	Confident	29 Å²	29	33 Å²	33	16%	0.155	18%	0.177	C	C	.	.			trans	-68.4	116	177.4	178.4	6.4	0	0	0	111.7	K88 Y89 N1053 L1055 A1059 R1060	K88-D1057 IonicContact NZ-OD2 2.96Å; K88-D1057 PolarHBondContact NZ-OD2 2.75Å; Y89-D1057 HydrophobicContact CE1-CB 3.73Å; Y89-D1057 VanDerWaalsContact CE1-OD2 3.31Å; Y89-D1057 WeakPolarHBondContact CE1-OD2 3.38Å; Y89-D1057 PolarHBondContact OH-OD2 3.37Å; N1053-D1057 PolarHBondContact O-N 3.28Å; L1055-D1057 VanDerWaalsContact C-N 3.26Å; L1055-D1057 PolarHBondContact O-N 2.81Å; D1057-A1059 VanDerWaalsContact C-N 3.33Å; D1057-A1059 VanDerWaalsContact OD1-C 3.3Å; D1057-A1059 VanDerWaalsContact OD1-CA 3.27Å; D1057-A1059 WeakPolarHBondContact OD1-CA 3.01Å; D1057-A1059 WeakPolarHBondContact OD1-CB 3.43Å; D1057-A1059 PolarHBondContact OD1-N 3.28Å; D1057-R1060 HydrophobicContact CB-CB 4Å; D1057-R1060 VanDerWaalsContact CG-N 3.31Å; D1057-R1060 WeakPolarHBondContact O-CB 3.4Å; D1057-R1060 WeakPolarHBondContact O-CD 3.41Å; D1057-R1060 WeakPolarHBondContact O-CG 3.33Å; D1057-R1060 PolarHBondContact O-N 2.98Å; D1057-R1060 PolarHBondContact O-NH1 3.49Å; D1057-R1060 PolarHBondContact OD1-N 2.93Å; D1057-R1060 WeakPolarHBondContact OD2-CA 3.49Å; D1057-R1060 PolarHBondContact OD2-N 3.27Å
1058	P	82.2	Confident	81.7	Confident	11 Å²	11	40.7 Å²	40.7	7%	0.071	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-22.3	175.7	32.8	-37.2	0	0	0	113.2	R972 L977 L1056	R972-P1058 WeakPolarHBondContact O-CB 3.42Å; R972-P1058 WeakPolarHBondContact O-CG 3.28Å; L977-P1058 HydrophobicContact CG-CB 4.39Å; L1056-P1058 VanDerWaalsContact O-CD 3.31Å; L1056-P1058 WeakPolarHBondContact O-CD 3.47Å
1059	A	80.1	Confident	80.1	Confident	15 Å²	15	44.7 Å²	44.7	12%	0.124	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	17.5	176.2	0	0	0	0	0	112.3	L973 D1057 F1156	L973-A1059 HydrophobicContact CD2-CB 3.89Å; D1057-A1059 VanDerWaalsContact C-N 3.33Å; D1057-A1059 VanDerWaalsContact OD1-C 3.3Å; D1057-A1059 VanDerWaalsContact OD1-CA 3.27Å; D1057-A1059 WeakPolarHBondContact OD1-CA 3.01Å; D1057-A1059 WeakPolarHBondContact OD1-CB 3.43Å; D1057-A1059 PolarHBondContact OD1-N 3.28Å; A1059-F1156 HydrophobicContact CB-CE1 4.48Å; A1059-F1156 HydrophobicContact CB-CE2 4.09Å; A1059-F1156 HydrophobicContact CB-CZ 3.98Å; A1059-F1156 WeakPolarHBondContact O-CE1 3.48Å; A1059-F1156 WeakPolarHBondContact O-CZ 3.4Å
1060	R	84.4	Confident	77.9	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.015	24%	0.243	C	C	.	.			trans	-58.1	134.1	-176.9	69.5	-173.9	171.6	-91.7	5	112.7	L985 Y1054 L1055 D1057 F1156	L985-R1060 VanDerWaalsContact CD1-NH2 3.3Å; Y1054-R1060 HydrophobicContact CD2-CB 4.03Å; Y1054-R1060 HydrophobicContact CE2-CB 3.7Å; Y1054-R1060 HydrophobicContact CE2-CG 4.13Å; Y1054-R1060 WeakPolarHBondContact O-CD 3.22Å; L1055-R1060 PolarHBondContact O-NH1 2.87Å; D1057-R1060 HydrophobicContact CB-CB 4Å; D1057-R1060 VanDerWaalsContact CG-N 3.31Å; D1057-R1060 WeakPolarHBondContact O-CB 3.4Å; D1057-R1060 WeakPolarHBondContact O-CD 3.41Å; D1057-R1060 WeakPolarHBondContact O-CG 3.33Å; D1057-R1060 PolarHBondContact O-N 2.98Å; D1057-R1060 PolarHBondContact O-NH1 3.49Å; D1057-R1060 PolarHBondContact OD1-N 2.93Å; D1057-R1060 WeakPolarHBondContact OD2-CA 3.49Å; D1057-R1060 PolarHBondContact OD2-N 3.27Å; R1060-F1156 WeakPolarHBondContact O-CE1 3.49Å
1061	P	82.2	Confident	75.4	Confident	25 Å²	25	55.9 Å²	55.9	16%	0.162	28%	0.284	C	S	.	.			trans	-57	145	172.9	-28.2	37.5	0	0	0	112.8	F75 W84 Y89 Y1054	F75-P1061 HydrophobicContact CE1-CB 3.81Å; F75-P1061 WeakPolarHBondContact CE1-O 3.48Å; F75-P1061 HydrophobicContact CZ-CB 3.57Å; W84-P1061 HydrophobicContact CH2-CB 4.16Å; W84-P1061 HydrophobicContact CH2-CG 4.06Å; W84-P1061 HydrophobicContact CZ3-CG 4.01Å; Y89-P1061 WeakPolarHBondContact OH-CD 3.21Å; Y1054-P1061 WeakPolarHBondContact CE2-O 3.25Å; Y1054-P1061 PolarHBondContact OH-O 3.08Å
1062	Q	76.2	Confident	72.8	Confident	76 Å²	76	67.2 Å²	67.2	36%	0.355	33%	0.327	S	S	.	.			trans	-142.1	158.7	179.9	-66.1	174.5	34.1	0	0	108.8	L72	L72-Q1062 HydrophobicContact CD2-CG 4.26Å
1063	L	74.2	Confident	70.4	Confident	23 Å²	23	78 Å²	78	12%	0.12	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-58.7	137	176.9	-66.2	178.2	0	0	0	111.1	A33 F75	A33-L1063 HydrophobicContact CB-CB 3.84Å; A33-L1063 WeakPolarHBondContact CB-O 3.27Å; F75-L1063 HydrophobicContact CD2-CD2 3.76Å; F75-L1063 HydrophobicContact CD2-CG 3.9Å; F75-L1063 HydrophobicContact CE2-CD2 4.25Å
1064	P	71.2	Confident	68.1	Low	17 Å²	17	81.4 Å²	81.4	11%	0.11	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-61.9	138.5	178.1	-22.9	33.8	0	0	0	111.5	L27 F32 A33 I527 E1066	L27-P1064 HydrophobicContact CD1-CG 4Å; F32-P1064 CarbonylContact C-O 3.46Å; F32-P1064 VanDerWaalsContact CA-O 3.23Å; F32-P1064 WeakPolarHBondContact CA-O 3.42Å; F32-P1064 WeakPolarHBondContact CB-O 3.45Å; F32-P1064 HydrophobicContact CD1-CB 4.08Å; F32-P1064 HydrophobicContact CE1-CB 4.4Å; A33-P1064 PolarHBondContact N-O 2.59Å; I527-P1064 HydrophobicContact CD1-CB 3.91Å; I527-P1064 HydrophobicContact CD1-CG 3.64Å; I527-P1064 HydrophobicContact CG1-CG 3.91Å; P1064-E1066 PolarHBondContact O-N 3.11Å
1065	P	70.1	Confident	65.9	Low	108 Å²	108	92.8 Å²	92.8	70%	0.701	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-65.6	126.9	176	26.8	-33.6	0	0	0	110.4
1066	E	69.8	Low	63.6	Low	66 Å²	66	97.7 Å²	97.7	31%	0.308	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-47.3	126.8	-177.7	-176.7	-154.6	-132	0	0	110.6	F32 R35 P1064 R1068	F32-E1066 HydrophobicContact CB-CB 3.9Å; F32-E1066 HydrophobicContact CG-CB 4.27Å; R35-E1066 IonicContact CZ-OE2 2.73Å; R35-E1066 IonicContact NH1-OE2 3.03Å; R35-E1066 PolarHBondContact NH1-OE2 3.4Å; R35-E1066 PolarHBondContact NH2-O 3.34Å; R35-E1066 IonicContact NH2-OE2 2.68Å; R35-E1066 PolarHBondContact NH2-OE2 2.71Å; P1064-E1066 PolarHBondContact O-N 3.11Å; E1066-R1068 PolarHBondContact O-N 3.48Å
1067	P	64.9	Low	61.7	Low	48 Å²	48	101.5 Å²	101.5	31%	0.312	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-59.9	133.3	-176.6	23.7	-34.5	0	0	0	110.4	F32 I551 S1069	F32-P1067 HydrophobicContact CE1-CG 4.38Å; F32-P1067 HydrophobicContact CZ-CG 4.47Å; I551-P1067 HydrophobicContact CD1-CB 4.38Å; I551-P1067 HydrophobicContact CD1-CG 4Å; P1067-S1069 PolarHBondContact O-N 2.87Å
1068	R	59.5	Low	59.6	Low	227 Å²	227	105.2 Å²	105.2	86%	0.857	53%	0.528	S	S	*	.			trans	-66.7	105.5	177.7	-67.1	-173.8	-178.2	-149.5	-1	109.2	E1066	E1066-R1068 PolarHBondContact O-N 3.48Å
1069	S	55.7	Low	57.7	Low	85 Å²	85	110.7 Å²	110.7	59%	0.594	56%	0.563	S	S	*	*			trans	-50.6	131.7	168.5	60.5	0	0	0	0	108.9	P1067 R1071	P1067-S1069 PolarHBondContact O-N 2.87Å; S1069-R1071 PolarHBondContact O-N 3.47Å
1070	P	44.8	Very low	55.8	Low	105 Å²	105	115.7 Å²	115.7	68%	0.682	60%	0.597	S	S	*	*			trans	-58.9	111.6	-177	-26.2	34.7	0	0	0	109.7	R1072	P1070-R1072 PolarHBondContact O-N 3.14Å
1071	R	40.9	Very low	53.8	Low	239 Å²	239	127.3 Å²	127.3	90%	0.902	64%	0.641	S	S	*	*			trans	-48.9	114.5	176.3	-87.9	-168.2	173.4	-161.3	-0.8	107.5	S1069 R1073	S1069-R1071 PolarHBondContact O-N 3.47Å; R1071-R1073 PolarHBondContact O-N 2.66Å
1072	R	37.9	Very low	51.6	Low	242 Å²	242	129.5 Å²	129.5	91%	0.913	67%	0.668	S	S	*	*			trans	-49.9	111	174.9	-79.3	-174.2	175.7	-180	2	107.1	P1070 S1074	P1070-R1072 PolarHBondContact O-N 3.14Å; R1072-S1074 PolarHBondContact O-N 3.09Å
1073	R	41.6	Very low	50	Low	232 Å²	232	133.2 Å²	133.2	88%	0.875	70%	0.696	S	S	*	*			trans	-61.7	107.6	168	-68.3	-175.3	-178.4	-171.1	1.7	104.9	R1071 R1075	R1071-R1073 PolarHBondContact O-N 2.66Å; R1073-R1075 PolarHBondContact O-N 2.95Å
1074	S	41	Very low	48.4	Very low	114 Å²	114	136.6 Å²	136.6	80%	0.797	73%	0.727	S	S	*	*			trans	-53.8	133.2	175.9	-169.4	0	0	0	0	107.7	R1072 S1076	R1072-S1074 PolarHBondContact O-N 3.09Å; S1074-S1076 PolarHBondContact O-N 2.87Å
1075	R	44.2	Very low	46.8	Very low	238 Å²	238	147.2 Å²	147.2	90%	0.898	77%	0.765	S	S	*	*			trans	-65.2	103.6	-176.2	-78.8	-179	170.2	178.6	-4.2	108.2	R1073	R1073-R1075 PolarHBondContact O-N 2.95Å
1076	S	42.9	Very low	45.4	Very low	104 Å²	104	151.2 Å²	151.2	73%	0.727	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-53.5	125	163.8	50.4	0	0	0	0	108.3	S1074 S1078	S1074-S1076 PolarHBondContact O-N 2.87Å; S1076-S1078 PolarHBondContact O-N 3.2Å
1077	P	46.8	Very low	44	Very low	123 Å²	123	153.6 Å²	153.6	80%	0.799	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-54.7	131.8	179.9	-27.4	35.2	0	0	0	111.3
1078	S	41.2	Very low	42.8	Very low	108 Å²	108	155.5 Å²	155.5	76%	0.755	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-71.8	122.2	177.1	47.6	0	0	0	0	109.8	S1076 S1080	S1076-S1078 PolarHBondContact O-N 3.2Å; S1078-S1080 PolarHBondContact O-N 2.86Å; S1078-S1080 VanDerWaalsContact O-N 3.16Å
1079	P	42.7	Very low	41.9	Very low	126 Å²	126	152.6 Å²	152.6	82%	0.818	81%	0.806	S	S	*	*			trans	-68.6	113.9	-177	26.9	-33.4	0	0	0	110.7	R1081	P1079-R1081 PolarHBondContact O-N 3.46Å
1080	S	40.1	Very low	41.1	Very low	120 Å²	120	157.2 Å²	157.2	84%	0.839	82%	0.818	S	S	*	*			trans	-70.9	96.6	176.5	44.9	0	0	0	0	110.8	S1078 G1082	S1078-S1080 PolarHBondContact O-N 2.86Å; S1078-S1080 VanDerWaalsContact O-N 3.16Å; S1080-G1082 PolarHBondContact O-N 3.2Å
1081	R	41.9	Very low	40.8	Very low	247 Å²	247	156.3 Å²	156.3	93%	0.932	82%	0.819	S	S	*	*			trans	-75.6	105.7	175.6	-171.6	172.8	175.8	-179.3	-2.7	109.6	P1079	P1079-R1081 PolarHBondContact O-N 3.46Å
1082	G	35.3	Very low	40.7	Very low	71 Å²	71	151 Å²	151	73%	0.732	81%	0.809	S	S	*	*			trans	-69.5	159.1	-166.1	0	0	0	0	0	116.7	S1080	S1080-G1082 PolarHBondContact O-N 3.2Å
1083	T	43.9	Very low	40.7	Very low	154 Å²	154	146.6 Å²	146.6	95%	0.945	80%	0.799	S	S	*	*			trans	-130.4	158.3	159.9	53.6	0	0	0	0	108.5
1084	A	40.1	Very low	40.6	Very low	94 Å²	94	142 Å²	142	78%	0.777	80%	0.797	S	S	*	*			trans	-112.1	138.4	-157.1	0	0	0	0	0	115.8
1085	R	37.9	Very low	40.5	Very low	240 Å²	240	140.9 Å²	140.9	91%	0.906	79%	0.789	S	S	*	*			trans	-173.3	110.9	150.2	-96.2	146.1	-176.6	-162.1	-0.6	106.3
1086	K	40.7	Very low	40.3	Very low	193 Å²	193	137 Å²	137	84%	0.839	78%	0.781	S	S	*	*				75.1	124	77	-85.1	-161.9	171.4	-169.4	0	114
1087	S	38.9	Very low	39.9	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	78%	0.778	S	S	*	*			trans	63.2	147.2	168.8	28	0	0	0	0	117
1088	S	40.5	Very low	39.5	Very low	87 Å²	87	140.2 Å²	140.2	61%	0.608	77%	0.766	S	S	*	*			cis	-164.4	164.9	-10.4	41.9	0	0	0	0	111.4
1089	H	40.9	Very low	39.4	Very low	167 Å²	167	144.2 Å²	144.2	77%	0.773	77%	0.765	S	S	*	*			trans	68.9	133.7	175.7	-45.1	-72.4	0	0	0	116.3
1090	Q	38.3	Very low	39.2	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	76%	0.759	S	S	*	*			cis	104.5	88.4	9.1	-165.6	-177.4	12.1	0	0	115.9
1091	A	38.3	Very low	39.1	Very low	86 Å²	86	144.3 Å²	144.3	71%	0.711	76%	0.757	S	S	*	*			trans	-169.5	124.3	155.2	0	0	0	0	0	106.3
1092	N	39.4	Very low	38.9	Very low	128 Å²	128	137.9 Å²	137.9	68%	0.684	75%	0.749	S	S	*	*				64.3	136.6	90.1	-66.1	52	0	0	0	113.5
1093	E	38	Very low	38.8	Very low	148 Å²	148	144.7 Å²	144.7	69%	0.692	75%	0.753	S	S	*	*			cis	-170.4	166.3	-9.4	-122.4	163.6	167.7	0	0	109.4
1094	T	39.9	Very low	38.5	Very low	136 Å²	136	143.2 Å²	143.2	83%	0.834	74%	0.744	S	S	*	*			trans	60.8	156.7	163.1	50.5	0	0	0	0	118.3
1095	S	39.1	Very low	38.5	Very low	90 Å²	90	148.4 Å²	148.4	63%	0.629	75%	0.749	S	S	*	*			cis	-167.4	148.8	-17.6	46.9	0	0	0	0	109.9
1096	E	39.4	Very low	38.2	Very low	156 Å²	156	140 Å²	140	73%	0.729	74%	0.737	S	S	*	*			trans	65.3	151.3	146.9	-86.2	-178.2	-106.9	0	0	119.6
1097	R	34.8	Very low	38	Very low	176 Å²	176	135.8 Å²	135.8	66%	0.664	73%	0.732	S	S	*	*			cis	-156.9	157.4	-4.2	-164.4	168.1	-173.8	140.8	-7.8	113
1098	E	37.4	Very low	37.9	Very low	119 Å²	119	136.5 Å²	136.5	56%	0.556	73%	0.727	S	S	*	*			trans	-19.7	151.6	157.7	-38.9	160.2	114.2	0	0	117.3
1099	R	39.7	Very low	37.6	Very low	192 Å²	192	138 Å²	138	73%	0.725	73%	0.728	S	S	*	*				-169.3	171.7	51	-92.4	108.2	-160.4	-99.5	-5	108.3
1100	S	38.3	Very low	37.3	Very low	99 Å²	99	137.4 Å²	137.4	69%	0.692	72%	0.723	S	S	*	*			cis	-170.5	118.7	-21.3	49.1	0	0	0	0	107
1101	N	38.3	Very low	37.3	Very low	150 Å²	150	135.9 Å²	135.9	80%	0.802	72%	0.716	S	S	*	*				61	107.9	84.9	-86.5	-10.5	0	0	0	118
1102	S	37.4	Very low	37	Very low	111 Å²	111	136.3 Å²	136.3	78%	0.776	71%	0.714	S	S	*	*			trans	-161.7	113	144.5	-167.5	0	0	0	0	106.4
1103	W	34.6	Very low	37	Very low	215 Å²	215	138.1 Å²	138.1	81%	0.814	72%	0.719	S	S	*	*				71	133.8	65.7	-66.8	25.9	0	0	0	111.3
1104	T	37.5	Very low	36.6	Very low	122 Å²	122	141.8 Å²	141.8	75%	0.748	73%	0.726	S	S	*	*			cis	-142.3	174	10.6	42.6	0	0	0	0	110.8
1105	K	38.5	Very low	36.1	Very low	203 Å²	203	145.2 Å²	145.2	88%	0.883	72%	0.724	S	S	*	*			cis	150.2	125.4	-18.7	-166.8	179.9	-173	-178.8	0	106.9
1106	G	33.3	Very low	35.8	Very low	64 Å²	64	147.5 Å²	147.5	66%	0.66	72%	0.724	S	S	*	*			trans	151.7	112.1	171.5	0	0	0	0	0	111.7
1107	S	35.4	Very low	35.7	Very low	104 Å²	104	146 Å²	146	73%	0.727	72%	0.718	S	S	*	*				78.2	131.3	55.4	-73.9	0	0	0	0	113.4
1108	N	36.1	Very low	35.6	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	73%	0.726	S	S	*	*			cis	-160.7	158.7	5.1	-94.4	-19.1	0	0	0	112.5
1109	N	35.9	Very low	35.4	Very low	120 Å²	120	145.4 Å²	145.4	64%	0.642	73%	0.734	S	S	*	*			trans	65.9	162.3	144.8	-72.1	-9.8	0	0	0	120.8
1110	F	34.7	Very low	34.9	Very low	153 Å²	153	147 Å²	147	67%	0.671	74%	0.74	S	S	*	*			cis	-148.2	165.9	-0	-121.9	-39	0	0	0	112.7
1111	Q	36.9	Very low	34.6	Very low	150 Å²	150	149.7 Å²	149.7	70%	0.701	75%	0.747	S	S	*	*			trans	18.6	134.5	156.6	-71.4	152.8	-12.3	0	0	121.3
1112	S	33.3	Very low	34.3	Very low	96 Å²	96	152.1 Å²	152.1	67%	0.671	75%	0.745	S	S	*	*			cis	101.3	147.8	20	82.4	0	0	0	0	116.6
1113	Q	37.6	Very low	34.1	Very low	165 Å²	165	152.9 Å²	152.9	77%	0.771	74%	0.74	S	S	*	*			trans	82.4	153.3	-178.6	-47.2	-166.5	34.7	0	0	114.8
1114	R	29.8	Very low	34.2	Very low	225 Å²	225	150.5 Å²	150.5	85%	0.849	74%	0.738	S	S	*	*			cis	-143.9	166.2	11.3	-157	168.3	176.7	167	-1.2	113.7
1115	W	29.4	Very low	34	Very low	209 Å²	209	148.8 Å²	148.8	79%	0.792	74%	0.744	S	S	*	*			trans	-82.8	163.4	-161.9	-63.9	83.5	0	0	0	119.7
1116	Q	34.5	Very low	33.7	Very low	137 Å²	137	142.7 Å²	142.7	64%	0.64	74%	0.739	S	S	*	*			trans	74.3	161.3	140.7	-81.9	168.9	60.3	0	0	118.3
1117	Q	36.3	Very low	33.6	Very low	125 Å²	125	147.5 Å²	147.5	58%	0.584	75%	0.75	S	S	*	*			cis	-161	157.7	16.7	-135.7	167.3	44.8	0	0	113.7
1118	Y	32.5	Very low	33.5	Very low	212 Å²	212	150.9 Å²	150.9	83%	0.831	76%	0.756	S	S	*	*			trans	57.2	159.8	163.1	-57.3	-52.7	0	0	0	120.7
1119	G	32.5	Very low	33.4	Very low	71 Å²	71	148.5 Å²	148.5	73%	0.732	76%	0.762	S	S	*	*			cis	-155.8	-173.7	1.9	0	0	0	0	0	113.7
1120	R	29.1	Very low	33.1	Very low	225 Å²	225	146.4 Å²	146.4	85%	0.849	77%	0.769	S	S	*	*			trans	-121.2	152.7	-173.9	-62.3	-172.2	-171.6	-142.5	11.7	114.6
1121	N	33.5	Very low	32.9	Very low	156 Å²	156	146.4 Å²	146.4	83%	0.834	78%	0.776	S	S	*	*				-159.6	142	128.4	-91.1	-27.1	0	0	0	108
1122	R	31.2	Very low	32.6	Very low	201 Å²	201	149.8 Å²	149.8	76%	0.758	78%	0.784	S	S	*	*			cis	75.8	97.9	35.8	-88.1	-159.1	176.4	-166.4	1.6	115.7
1123	N	34.4	Very low	32.5	Very low	127 Å²	127	148.8 Å²	148.8	68%	0.679	79%	0.789	S	S	*	*				174.1	160.9	119.1	-95.3	23.6	0	0	0	107.6
1124	E	36.1	Very low	32.1	Very low	164 Å²	164	151.4 Å²	151.4	77%	0.766	79%	0.792	S	S	*	*			cis	156.2	138.6	-11.3	-101.5	-178.8	165	0	0	104.7
1125	G	34	Very low	32.1	Very low	86 Å²	86	147.9 Å²	147.9	89%	0.887	79%	0.79	S	S	*	*			trans	77.7	148.4	170.4	0	0	0	0	0	117.3
1126	G	31.1	Very low	32	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	79%	0.789	S	S	*	*			cis	156.6	161	-7.6	0	0	0	0	0	113.8
1127	N	30.6	Very low	32	Very low	166 Å²	166	145 Å²	145	89%	0.888	79%	0.793	S	S	*	*			trans	86.9	153.9	170.6	-155.6	33	0	0	0	119.2
1128	M	34.6	Very low	31.5	Very low	175 Å²	175	146.3 Å²	146.3	86%	0.862	80%	0.804	S	S	*	*			trans	-118.7	171.5	-171.9	-74.4	-78.6	-157.5	0	0	112.1
1129	G	32.9	Very low	31.5	Very low	80 Å²	80	141 Å²	141	83%	0.825	79%	0.794	S	S	*	*			trans	98	131	173.6	0	0	0	0	0	112.8
1130	G	29.9	Very low	31.3	Very low	77 Å²	77	145.7 Å²	145.7	79%	0.794	80%	0.802	S	S	*	*			cis	118.4	101.7	-1.5	0	0	0	0	0	112.1
1131	N	31.9	Very low	31.4	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	79%	0.792	S	S	*	*			trans	-160.3	168.6	160.9	-131.6	16.4	0	0	0	111.6
1132	Y	29.9	Very low	31.4	Very low	222 Å²	222	138 Å²	138	87%	0.871	78%	0.782	S	S	*	*			trans	-77.2	155.6	-163.6	-51.6	-91.8	0	0	0	116
1133	G	30.8	Very low	31.3	Very low	75 Å²	75	138.3 Å²	138.3	77%	0.773	79%	0.79	S	S	*	*			trans	-158.6	118.7	158.4	0	0	0	0	0	107.3
1134	R	30	Very low	31.2	Very low	220 Å²	220	139.3 Å²	139.3	83%	0.83	79%	0.785	S	S	*	*			trans	-139.9	72.9	-161.1	-173.2	-134.3	-166.5	-177.3	5.2	111.8
1135	D	29.8	Very low	31	Very low	150 Å²	150	134.6 Å²	134.6	80%	0.802	77%	0.768	S	S	*	*			trans	-105.2	100	177.6	-59.9	-60.8	0	0	0	110.4
1136	N	27.6	Very low	30.7	Very low	147 Å²	147	137.2 Å²	137.2	79%	0.786	75%	0.751	S	S	*	*			trans	-79	112.9	162.9	-92.8	8.2	0	0	0	107.8
1137	I	33.3	Very low	30.8	Very low	139 Å²	139	136.5 Å²	136.5	71%	0.713	73%	0.733	S	S	*	*			trans	-123.3	113.8	160.6	-59.2	-177.9	0	0	0	107.2	T1139	I1137-T1139 HydrophobicContact CG2-CG2 4.18Å; I1137-T1139 PolarHBondContact O-N 2.89Å
1138	N	26.2	Very low	30.8	Very low	152 Å²	152	139.1 Å²	139.1	81%	0.813	73%	0.732	S	S	*	*			trans	-69.8	113	173.4	-78.8	-18.6	0	0	0	109.2
1139	T	32.5	Very low	30.5	Very low	101 Å²	101	133.9 Å²	133.9	62%	0.62	72%	0.723	S	S	*	*			trans	-120.1	110.7	165.1	51.9	0	0	0	0	109.8	I1137 L1141	I1137-T1139 HydrophobicContact CG2-CG2 4.18Å; I1137-T1139 PolarHBondContact O-N 2.89Å; T1139-L1141 VanDerWaalsContact C-N 3.33Å; T1139-L1141 PolarHBondContact O-N 3.09Å
1140	N	27.9	Very low	30.3	Very low	169 Å²	169	138.6 Å²	138.6	90%	0.904	72%	0.716	S	S	*	*			trans	-76	80.4	178.8	-73.8	-38.2	0	0	0	110.4
1141	L	32.1	Very low	30.2	Very low	123 Å²	123	142.8 Å²	142.8	64%	0.644	72%	0.715	S	S	*	*			trans	-93.8	136.7	169.2	-75.2	94.5	0	0	0	111.2	T1139 F1143	T1139-L1141 VanDerWaalsContact C-N 3.33Å; T1139-L1141 PolarHBondContact O-N 3.09Å; L1141-F1143 PolarHBondContact O-N 3.33Å
1142	P	33.8	Very low	30.1	Very low	96 Å²	96	139.8 Å²	139.8	62%	0.623	70%	0.696	S	S	*	*			trans	-60.1	128.7	174.1	-23.8	34.1	0	0	0	112.6	Y1144	P1142-Y1144 HydrophobicContact CB-CD2 4.44Å; P1142-Y1144 HydrophobicContact CB-CE2 3.95Å; P1142-Y1144 VanDerWaalsContact O-CD2 3.3Å; P1142-Y1144 WeakPolarHBondContact O-CD2 3.34Å; P1142-Y1144 PolarHBondContact O-N 3.36Å; P1142-Y1144 VanDerWaalsContact O-N 3.11Å
1143	F	29	Very low	30.2	Very low	209 Å²	209	136 Å²	136	92%	0.917	68%	0.681	S	S	*	*			trans	-75	98.3	177.1	-88.4	-109	0	0	0	111.4	L1141 P1145	L1141-F1143 PolarHBondContact O-N 3.33Å; F1143-P1145 WeakPolarHBondContact O-CD 3.47Å
1144	Y	31.5	Very low	30.1	Very low	148 Å²	148	135.1 Å²	135.1	58%	0.58	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-79.6	118.3	171	-72.1	-88.7	0	0	0	111.7	P1142	P1142-Y1144 HydrophobicContact CB-CD2 4.44Å; P1142-Y1144 HydrophobicContact CB-CE2 3.95Å; P1142-Y1144 VanDerWaalsContact O-CD2 3.3Å; P1142-Y1144 WeakPolarHBondContact O-CD2 3.34Å; P1142-Y1144 PolarHBondContact O-N 3.36Å; P1142-Y1144 VanDerWaalsContact O-N 3.11Å
1145	P	32.1	Very low	30.1	Very low	64 Å²	64	128.8 Å²	128.8	42%	0.416	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-70.8	148.9	178.6	-18	33	0	0	0	112.6	T531 M532 F1143 P1147	T531-P1145 HydrophobicContact CG2-CB 4.03Å; T531-P1145 WeakPolarHBondContact OG1-CB 3.4Å; M532-P1145 HydrophobicContact CE-CB 4.44Å; M532-P1145 HydrophobicContact CE-CG 3.74Å; F1143-P1145 WeakPolarHBondContact O-CD 3.47Å; P1145-P1147 WeakPolarHBondContact O-CD 3.31Å
1146	R	27.6	Very low	30.1	Very low	141 Å²	141	125.6 Å²	125.6	53%	0.532	63%	0.625	S	S	.	*	P	Polyproline II helix	trans	-98.9	119.2	174.6	-62.1	-170	-167.9	-159.6	14.7	112.5
1147	P	32.4	Very low	30.1	Very low	60 Å²	60	127.8 Å²	127.8	39%	0.39	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-69.5	133.5	156.2	-18.2	32.2	0	0	0	111.2	P529 P1145 I1191	P529-P1147 HydrophobicContact CG-CB 4.31Å; P529-P1147 HydrophobicContact CG-CG 4.33Å; P1145-P1147 WeakPolarHBondContact O-CD 3.31Å; P1147-I1191 HydrophobicContact CB-CD1 3.84Å; P1147-I1191 HydrophobicContact CG-CD1 3.81Å
1148	Y	30.4	Very low	30	Very low	222 Å²	222	124.1 Å²	124.1	87%	0.871	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-91.8	120.2	169.6	-92.8	-92.3	0	0	0	110.9
1149	G	28.6	Very low	30	Very low	65 Å²	65	121.1 Å²	121.1	67%	0.67	59%	0.592	S	S	*	*	S	Bend	trans	108.7	125.9	161.3	0	0	0	0	0	114.9	Q1151	G1149-Q1151 VanDerWaalsContact C-N 3.26Å; G1149-Q1151 PolarHBondContact O-N 3.12Å
1150	R	28.4	Very low	30.2	Very low	178 Å²	178	120.2 Å²	120.2	67%	0.672	58%	0.578	S	S	*	*			trans	-68.2	76.4	171.6	-173.3	-165.1	-74.1	-115	6.2	110.4
1151	Q	29.1	Very low	30.3	Very low	165 Å²	165	116 Å²	116	77%	0.771	58%	0.575	S	S	*	*			trans	-74	124.6	153.7	-69.5	-161.2	16.5	0	0	107.4	G1149 Y1153	G1149-Q1151 VanDerWaalsContact C-N 3.26Å; G1149-Q1151 PolarHBondContact O-N 3.12Å; Q1151-Y1153 PolarHBondContact O-N 2.98Å
1152	Q	29.8	Very low	30.1	Very low	90 Å²	90	114.1 Å²	114.1	42%	0.421	59%	0.585	S	S	.	*			trans	-76.5	106.9	-179.7	-69	168	-43.3	0	0	108.5	S1154 N1155	Q1152-S1154 PolarHBondContact O-N 3.42Å; Q1152-N1155 WeakPolarHBondContact CB-ND2 3.43Å; Q1152-N1155 PolarHBondContact O-ND2 3.02Å
1153	Y	32.1	Very low	29.8	Very low	142 Å²	142	113.1 Å²	113.1	56%	0.557	59%	0.592	S	S	*	*	S	Bend	trans	-63.1	-19	171.3	-71.4	-72.1	0	0	0	112.4	I527 Q1151 N1155	I527-Y1153 HydrophobicContact CB-CE1 4.33Å; I527-Y1153 PolarHBondContact O-OH 3.06Å; I527-Y1153 VanDerWaalsContact O-OH 3.07Å; Q1151-Y1153 PolarHBondContact O-N 2.98Å; Y1153-N1155 PolarHBondContact O-N 2.8Å
1154	S	28	Very low	29.9	Very low	56 Å²	56	110.4 Å²	110.4	39%	0.392	59%	0.587	S	S	.	*			trans	-70.7	53	165.1	58.6	0	0	0	0	113.9	R969 Q1152	R969-S1154 PolarHBondContact NH1-O 2.92Å; Q1152-S1154 PolarHBondContact O-N 3.42Å
1155	N	30.3	Very low	29.7	Very low	87 Å²	87	111.8 Å²	111.8	47%	0.465	60%	0.599	S	S	.	*			trans	-119.8	47.5	172.4	-88.9	-77.8	0	0	0	112.7	Q1152 Y1153 R1157	Q1152-N1155 WeakPolarHBondContact CB-ND2 3.43Å; Q1152-N1155 PolarHBondContact O-ND2 3.02Å; Y1153-N1155 PolarHBondContact O-N 2.8Å; N1155-R1157 PolarHBondContact O-N 2.62Å
1156	F	29.3	Very low	29.6	Very low	83 Å²	83	119.8 Å²	119.8	36%	0.364	62%	0.621	S	S	.	*			trans	-60.7	83.5	151.4	-67.3	-67.7	0	0	0	109.5	L973 A1059 R1060 I1158	L973-F1156 HydrophobicContact CD1-CD2 4.42Å; L973-F1156 HydrophobicContact CD2-CB 4.3Å; L973-F1156 HydrophobicContact CD2-CD2 3.53Å; L973-F1156 HydrophobicContact CD2-CE2 4.09Å; L973-F1156 HydrophobicContact CD2-CG 4.05Å; A1059-F1156 HydrophobicContact CB-CE1 4.48Å; A1059-F1156 HydrophobicContact CB-CE2 4.09Å; A1059-F1156 HydrophobicContact CB-CZ 3.98Å; A1059-F1156 WeakPolarHBondContact O-CE1 3.48Å; A1059-F1156 WeakPolarHBondContact O-CZ 3.4Å; R1060-F1156 WeakPolarHBondContact O-CE1 3.49Å; F1156-I1158 PolarHBondContact O-N 2.82Å
1157	R	28.7	Very low	29.8	Very low	193 Å²	193	119.5 Å²	119.5	73%	0.728	63%	0.63	S	S	*	*			trans	-91.1	82.1	168.8	-87.1	-171.1	169.1	-122.7	-2.5	108.7	N1155 P1159	N1155-R1157 PolarHBondContact O-N 2.62Å; R1157-P1159 WeakPolarHBondContact O-CD 3.32Å
1158	I	29.3	Very low	29.6	Very low	63 Å²	63	127.5 Å²	127.5	32%	0.323	65%	0.654	S	S	.	*			trans	-61.7	118.8	151.3	-58.3	176.7	0	0	0	105.9	L977 F1156	L977-I1158 HydrophobicContact CD1-CD1 4.23Å; F1156-I1158 PolarHBondContact O-N 2.82Å
1159	P	28.1	Very low	29.6	Very low	89 Å²	89	127.3 Å²	127.3	58%	0.578	65%	0.653	S	S	*	*			trans	-101.9	33.3	-171.6	35.6	-25.5	0	0	0	112.9	R1157	R1157-P1159 WeakPolarHBondContact O-CD 3.32Å
1160	Y	35.3	Very low	29.7	Very low	81 Å²	81	131.5 Å²	131.5	32%	0.318	66%	0.66	S	S	.	*			trans	-128	155.2	177	-62.5	-73.5	0	0	0	111.2	K64 A65 A68	K64-Y1160 VanDerWaalsContact CB-OH 3.26Å; K64-Y1160 WeakPolarHBondContact CB-OH 3.08Å; K64-Y1160 PolarHBondContact O-OH 3Å; A65-Y1160 HydrophobicContact CB-CE1 3.96Å; A65-Y1160 PolarHBondContact N-OH 3.45Å; A68-Y1160 HydrophobicContact CB-CE2 3.56Å
1161	G	29.6	Very low	29.7	Very low	81 Å²	81	126.2 Å²	126.2	84%	0.835	66%	0.662	S	S	*	*			trans	118.1	94.4	-154.4	0	0	0	0	0	108.5
1162	G	29.8	Very low	29.7	Very low	83 Å²	83	124.3 Å²	124.3	86%	0.856	66%	0.664	S	S	*	*			trans	-82.8	-176.1	-169	0	0	0	0	0	114.8
1163	G	26.2	Very low	29.7	Very low	76 Å²	76	132.1 Å²	132.1	78%	0.784	69%	0.689	S	S	*	*			trans	79.4	40.5	152.1	0	0	0	0	0	118.4
1164	N	30.6	Very low	29.7	Very low	152 Å²	152	132.1 Å²	132.1	81%	0.813	70%	0.704	S	S	*	*			trans	-154	119.9	148.9	-120.2	-72.2	0	0	0	115
1165	Q	28.3	Very low	29.8	Very low	177 Å²	177	133.4 Å²	133.4	83%	0.827	73%	0.726	S	S	*	*			trans	-70.5	122.8	173.4	-69.8	-80.8	8.7	0	0	110.1
1166	R	30.2	Very low	29.8	Very low	231 Å²	231	132.9 Å²	132.9	87%	0.872	74%	0.742	S	S	*	*			trans	-132.3	86.1	165.8	-79.1	-163	175	-173	1.9	112.6
1167	N	31	Very low	29.7	Very low	136 Å²	136	139.4 Å²	139.4	73%	0.727	77%	0.765	S	S	*	*			trans	29.5	105	144.6	-65	-7.1	0	0	0	117.4	Y1169	N1167-Y1169 HydrophobicContact CB-CD2 4.49Å; N1167-Y1169 PolarHBondContact O-N 3.41Å; N1167-Y1169 VanDerWaalsContact O-N 3.11Å
1168	Y	27.7	Very low	29.9	Very low	228 Å²	228	137.1 Å²	137.1	89%	0.894	77%	0.767	S	S	*	*			trans	-60.1	108.9	151.2	-79.7	-93.4	0	0	0	109.7
1169	Y	31.3	Very low	30	Very low	217 Å²	217	141 Å²	141	85%	0.851	79%	0.789	S	S	*	*			trans	-127.2	118.5	160.7	-106.7	-85.7	0	0	0	110.8	N1167 G1171	N1167-Y1169 HydrophobicContact CB-CD2 4.49Å; N1167-Y1169 PolarHBondContact O-N 3.41Å; N1167-Y1169 VanDerWaalsContact O-N 3.11Å; Y1169-G1171 PolarHBondContact O-N 2.92Å
1170	N	29.9	Very low	30.2	Very low	153 Å²	153	146.2 Å²	146.2	82%	0.818	80%	0.803	S	S	*	*			trans	-78.7	104.6	174.4	-74.4	-72.1	0	0	0	109.6
1171	G	28.7	Very low	30	Very low	68 Å²	68	149.9 Å²	149.9	70%	0.701	83%	0.828	S	S	*	*			trans	-72.6	138.9	168.2	0	0	0	0	0	111.7	Y1169	Y1169-G1171 PolarHBondContact O-N 2.92Å
1172	P	30.3	Very low	30	Very low	125 Å²	125	156.9 Å²	156.9	81%	0.812	83%	0.829	S	S	*	*			trans	-73.9	148.8	-166.7	-19.7	33.6	0	0	0	115.3	T1174	P1172-T1174 PolarHBondContact O-N 2.97Å
1173	R	28.6	Very low	30	Very low	254 Å²	254	164.9 Å²	164.9	96%	0.958	83%	0.833	S	S	*	*			trans	-76	109.3	166.3	-74.3	-178.1	170.6	-161.3	-1.5	111.2
1174	T	33.3	Very low	30.1	Very low	141 Å²	141	164.6 Å²	164.6	87%	0.865	83%	0.831	S	S	*	*			trans	-128.9	151.9	151.3	53.1	0	0	0	0	108.6	P1172	P1172-T1174 PolarHBondContact O-N 2.97Å
1175	G	29	Very low	29.9	Very low	83 Å²	83	168.5 Å²	168.5	86%	0.856	84%	0.836	S	S	*	*			cis	148.3	33.3	0.1	0	0	0	0	0	113.1
1176	G	29.9	Very low	30.2	Very low	77 Å²	77	165.8 Å²	165.8	79%	0.794	83%	0.833	S	S	*	*			trans	-142.6	90.2	-170.3	0	0	0	0	0	113.4
1177	Y	28.2	Very low	30.2	Very low	220 Å²	220	166.7 Å²	166.7	86%	0.863	84%	0.837	S	S	*	*			trans	-79.7	121.3	158.6	-78	-90.6	0	0	0	108.5
1178	N	32.7	Very low	30.1	Very low	144 Å²	144	168 Å²	168	77%	0.77	83%	0.832	S	S	*	*			trans	-157.1	118.9	155.8	-103.9	-36	0	0	0	113
1179	N	30.5	Very low	30.2	Very low	144 Å²	144	162.7 Å²	162.7	77%	0.77	83%	0.828	S	S	*	*			trans	-0.5	110.4	162.2	-57.3	-42.8	0	0	0	119.4
1180	F	32.9	Very low	30.3	Very low	199 Å²	199	159.7 Å²	159.7	87%	0.873	82%	0.816	S	S	*	*			trans	-128.6	52.4	155.4	-88.9	-79.4	0	0	0	112.4	R1182	F1180-R1182 PolarHBondContact O-N 3.34Å
1181	N	30.5	Very low	30.5	Very low	158 Å²	158	156.6 Å²	156.6	85%	0.845	80%	0.798	S	S	*	*			trans	-85.9	82.4	166.1	-94.3	-10.3	0	0	0	110.4
1182	R	30.5	Very low	31.1	Very low	228 Å²	228	155.6 Å²	155.6	86%	0.86	78%	0.777	S	S	*	*	S	Bend	trans	172.3	141.5	153.1	-99.4	169.1	-153.3	-105.8	7.9	111.5	F1180	F1180-R1182 PolarHBondContact O-N 3.34Å
1183	R	29.1	Very low	31.4	Very low	251 Å²	251	153.6 Å²	153.6	95%	0.947	76%	0.759	S	S	*	*	S	Bend	trans	74.3	144.2	172.4	-55.9	-178.7	178.1	-132.5	-0.5	116.5
1184	G	28.8	Very low	31.8	Very low	71 Å²	71	145.5 Å²	145.5	73%	0.732	74%	0.735	S	S	*	*			trans	88.2	95.6	168.9	0	0	0	0	0	115	P1186	G1184-P1186 WeakPolarHBondContact O-CD 3.42Å
1185	Y	26.6	Very low	31.9	Very low	233 Å²	233	140.2 Å²	140.2	91%	0.914	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-71.2	123.5	157.1	-74.1	-81.5	0	0	0	108.1	R1187	Y1185-R1187 PolarHBondContact O-N 2.9Å
1186	P	33.9	Very low	32	Very low	120 Å²	120	141.6 Å²	141.6	78%	0.779	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-65.6	131.2	164.1	28.1	-31.9	0	0	0	108.4	G1184	G1184-P1186 WeakPolarHBondContact O-CD 3.42Å
1187	R	32	Very low	32.1	Very low	250 Å²	250	144.9 Å²	144.9	94%	0.943	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-56.8	150.1	172	-83.4	-168.1	172.4	-155.9	0	109.4	Y1185 S1189	Y1185-R1187 PolarHBondContact O-N 2.9Å; R1187-S1189 PolarHBondContact O-N 3.05Å
1188	R	28.4	Very low	32.3	Very low	165 Å²	165	140.9 Å²	140.9	62%	0.623	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-63.2	119.6	179.8	-62.2	-175.4	179.4	-140.7	4.8	108.7	Y1190	R1188-Y1190 PolarHBondContact O-N 3.38Å; R1188-Y1190 VanDerWaalsContact O-N 3.16Å
1189	S	29.4	Very low	32.3	Very low	115 Å²	115	140.7 Å²	140.7	80%	0.804	68%	0.681	S	S	*	*			trans	-67.9	106.7	154.4	55.8	0	0	0	0	106.9	R1187	R1187-S1189 PolarHBondContact O-N 3.05Å
1190	Y	34	Very low	32.4	Very low	155 Å²	155	140.5 Å²	140.5	61%	0.608	68%	0.676	S	S	*	*			trans	-66.3	160	169.6	-142.6	-107.5	0	0	0	109.3	R1188	R1188-Y1190 PolarHBondContact O-N 3.38Å; R1188-Y1190 VanDerWaalsContact O-N 3.16Å
1191	I	34	Very low	32.3	Very low	87 Å²	87	136.9 Å²	136.9	45%	0.446	66%	0.664	S	S	.	*			trans	-116.6	114.1	164.8	-75.4	170.3	0	0	0	103.9	P1147 L1193	P1147-I1191 HydrophobicContact CB-CD1 3.84Å; P1147-I1191 HydrophobicContact CG-CD1 3.81Å; I1191-L1193 PolarHBondContact O-N 2.94Å
1192	D	40.1	Very low	32.4	Very low	47 Å²	47	135.5 Å²	135.5	25%	0.251	65%	0.652	S	S	.	*			trans	-61.7	132.7	169.3	-64.4	-52.2	0	0	0	108.1	R621 D1194 A1195	R621-D1192 IonicContact CZ-OD1 3.78Å; R621-D1192 IonicContact CZ-OD2 2.67Å; R621-D1192 IonicContact NH1-OD1 2.72Å; R621-D1192 IonicContact NH1-OD2 3.08Å; R621-D1192 PolarHBondContact NH1-OD2 3.24Å; R621-D1192 IonicContact NH2-OD1 3.73Å; R621-D1192 PolarHBondContact NH2-OD1 3.08Å; R621-D1192 IonicContact NH2-OD2 2.76Å; R621-D1192 PolarHBondContact NH2-OD2 2.89Å; D1192-D1194 VanDerWaalsContact C-N 3.33Å; D1192-A1195 HydrophobicContact CB-CB 3.88Å
1193	L	36.2	Very low	32.6	Very low	83 Å²	83	128.9 Å²	128.9	44%	0.435	64%	0.637	S	S	.	*	S	Bend	trans	-94.2	-3.8	163.1	-65.5	172.4	0	0	0	111	M556 W558 I1191	M556-L1193 HydrophobicContact CE-CB 4.37Å; W558-L1193 WeakPolarHBondContact CH2-O 3.29Å; W558-L1193 WeakPolarHBondContact CZ2-O 3.48Å; I1191-L1193 PolarHBondContact O-N 2.94Å
1194	D	38.2	Very low	32.9	Very low	84 Å²	84	119.5 Å²	119.5	45%	0.449	61%	0.613	S	S	.	*	S	Bend	trans	-105.6	7.5	-176.7	-51.2	-27.1	0	0	0	112.2	R929 D1192	R929-D1194 IonicContact CZ-OD2 2.8Å; R929-D1194 VanDerWaalsContact NH1-CB 3.34Å; R929-D1194 IonicContact NH1-OD2 3.84Å; R929-D1194 PolarHBondContact NH1-OD2 3.28Å; R929-D1194 IonicContact NH2-OD2 3.71Å; D1192-D1194 VanDerWaalsContact C-N 3.33Å
1195	A	35.2	Very low	33.2	Very low	31 Å²	31	123.5 Å²	123.5	26%	0.256	60%	0.603	S	S	.	*			trans	-127.8	121.3	171.8	0	0	0	0	0	108.7	Y918 D1192	Y918-A1195 HydrophobicContact CE1-CB 4.32Å; D1192-A1195 HydrophobicContact CB-CB 3.88Å
1196	P	30.4	Very low	33.8	Very low	112 Å²	112	113.5 Å²	113.5	73%	0.727	58%	0.575	S	S	*	*			trans	-72.9	0	-176.3	29.5	-35.1	0	0	0	114.5	L523	L523-P1196 HydrophobicContact CD2-CB 4.11Å

Retrieved 1,196 of 1,196 residues in 1393 ms (Link to these results)

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