A0A096NC41_PAPAN Loading...

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AlphaFold DB (F7HEB3), UniProt , Accession A0A096NC41, Species PAPAN (Papio anubis, Olive baboon), Gene SLC6A6, Length 649 aa.

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(Predicted Aligned Error values between residue pairs)

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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	34.4	Very low	30.7	Very low	230 Å²	230	137.9 Å²	137.9	100%	1.133	80%	0.802	S	S	*	*				0	103.3	0	-170.2	179.1	-90.6	0	0	105.8
2	Y	30.2	Very low	30.5	Very low	211 Å²	211	132 Å²	132	83%	0.827	79%	0.793	S	S	*	*			trans	51.7	130.7	161.1	-70.8	-93.1	0	0	0	119.4
3	T	30.8	Very low	31.7	Very low	94 Å²	94	132.3 Å²	132.3	58%	0.577	80%	0.8	S	S	*	*			cis	-174.4	152	-2.1	7.7	0	0	0	0	107.6
4	E	31.6	Very low	31.5	Very low	169 Å²	169	130.1 Å²	130.1	79%	0.79	80%	0.803	S	S	*	*			trans	61.4	148.1	139.5	-69.7	167.7	160.5	0	0	121.8
5	S	29.4	Very low	32	Very low	89 Å²	89	130.1 Å²	130.1	62%	0.622	81%	0.81	S	S	*	*			cis	179.8	139.7	-14.4	54.1	0	0	0	0	107.7
6	T	30.2	Very low	32	Very low	117 Å²	117	126.6 Å²	126.6	72%	0.718	81%	0.807	S	S	*	*			trans	26.6	137.1	134.9	58.2	0	0	0	0	118.8
7	D	30.6	Very low	32.5	Very low	159 Å²	159	131.6 Å²	131.6	85%	0.85	82%	0.817	S	S	*	*			cis	-167.1	166.2	34.1	-82.1	-46.1	0	0	0	106.8
8	G	28.2	Very low	32.5	Very low	69 Å²	69	128.3 Å²	128.3	71%	0.711	81%	0.813	S	S	*	*			cis	172.6	-168.8	15.1	0	0	0	0	0	112.1
9	A	29.9	Very low	32.7	Very low	110 Å²	110	128.1 Å²	128.1	91%	0.909	82%	0.816	S	S	*	*			trans	80.8	110.3	165.3	0	0	0	0	0	119.7
10	A	32.4	Very low	33	Very low	92 Å²	92	133.4 Å²	133.4	76%	0.76	82%	0.819	S	S	*	*			trans	-74.4	155	167.7	0	0	0	0	0	113.1
11	L	29.7	Very low	33.4	Very low	177 Å²	177	131.5 Å²	131.5	93%	0.927	81%	0.81	S	S	*	*			trans	162.7	119.3	133.8	-87.6	155.2	0	0	0	109.5
12	G	28.1	Very low	33.7	Very low	67 Å²	67	126.4 Å²	126.4	69%	0.691	79%	0.794	S	S	*	*			trans	-92.7	-172	154.3	0	0	0	0	0	110.2
13	P	46.3	Very low	34.4	Very low	136 Å²	136	118.6 Å²	118.6	88%	0.883	78%	0.777	S	S	*	*			cis	-119.1	158.8	-45.4	35.6	-22.5	0	0	0	110.6
14	A	29.8	Very low	35.2	Very low	102 Å²	102	118.5 Å²	118.5	84%	0.843	78%	0.776	S	S	*	*			trans	-146.7	119.3	165.6	0	0	0	0	0	111.9
15	S	38	Very low	35.8	Very low	130 Å²	130	117.9 Å²	117.9	91%	0.909	77%	0.774	S	S	*	*			trans	-57.1	129.9	170.4	49.1	0	0	0	0	112.5
16	G	32.5	Very low	36.7	Very low	74 Å²	74	119.9 Å²	119.9	76%	0.763	77%	0.773	S	S	*	*			trans	-141.1	99.5	168.9	0	0	0	0	0	110.8	G18	G16-G18 PolarHBondContact O-N 3.23Å
17	H	40.7	Very low	37.5	Very low	211 Å²	211	117.3 Å²	117.3	98%	0.977	76%	0.76	S	S	*	*			trans	-63.9	117.8	166.8	-101.6	-47.6	0	0	0	109.7
18	G	33	Very low	38.3	Very low	73 Å²	73	116.9 Å²	116.9	75%	0.753	75%	0.75	S	S	*	*			trans	-124.2	102.7	169.2	0	0	0	0	0	110.3	G16	G16-G18 PolarHBondContact O-N 3.23Å
19	S	36	Very low	39.5	Very low	123 Å²	123	119.2 Å²	119.2	86%	0.86	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-63.5	124.6	176.4	39.4	0	0	0	0	112.7
20	R	38.8	Very low	40.5	Very low	235 Å²	235	119.3 Å²	119.3	89%	0.887	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-73.1	146.3	165	-83.6	-178.5	-178.7	174.6	1.5	110.3
21	P	40.6	Very low	41.5	Very low	94 Å²	94	117 Å²	117	61%	0.61	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-73.4	143.9	-177.9	30.1	-32.8	0	0	0	111.3	G23	P21-G23 PolarHBondContact O-N 3.21Å; P21-G23 VanDerWaalsContact O-N 3.09Å
22	P	41.5	Very low	43	Very low	123 Å²	123	113.1 Å²	113.1	80%	0.799	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	10.8	-172.3	30.3	-34.1	0	0	0	115.3
23	G	45.1	Very low	44.5	Very low	47 Å²	47	116.6 Å²	116.6	49%	0.485	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.6	-5.1	-171.1	0	0	0	0	0	117.2	P21 S27	P21-G23 PolarHBondContact O-N 3.21Å; P21-G23 VanDerWaalsContact O-N 3.09Å; G23-S27 PolarHBondContact O-OG 3.22Å
24	T	46.8	Very low	45.3	Very low	91 Å²	91	116.7 Å²	116.7	56%	0.558	68%	0.675	S	S	*	*	H	α-helix	trans	-96.4	-14.7	-171.6	35.1	0	0	0	0	114.9	K28	T24-K28 WeakPolarHBondContact O-CG 3.29Å
25	Q	45.4	Very low	46.7	Very low	157 Å²	157	119.2 Å²	119.2	73%	0.734	67%	0.667	S	S	*	*	H	α-helix	trans	-94.3	-41.1	179.3	-155.1	149.3	-16.6	0	0	111.2	K28 E29	Q25-K28 PolarHBondContact O-N 3.13Å; Q25-E29 PolarHBondContact O-N 3.46Å
26	E	48.3	Very low	47.6	Very low	131 Å²	131	117.6 Å²	117.6	61%	0.612	65%	0.648	S	S	*	*	H	α-helix	trans	-64.7	-37	171.6	-81	-174.7	150.9	0	0	112.9	E29 M30	E26-E29 PolarHBondContact O-N 3.32Å; E26-M30 WeakPolarHBondContact O-CB 3.12Å; E26-M30 PolarHBondContact O-N 3.21Å
27	S	45.3	Very low	48.9	Very low	62 Å²	62	118.5 Å²	118.5	43%	0.434	63%	0.632	S	S	.	*	H	α-helix	trans	-70.5	-33.3	178	79.5	0	0	0	0	112.7	G23 A31	G23-S27 PolarHBondContact O-OG 3.22Å; S27-A31 VanDerWaalsContact O-CB 3.28Å; S27-A31 WeakPolarHBondContact O-CB 3.41Å; S27-A31 PolarHBondContact O-N 3.48Å
28	K	48.8	Very low	49.6	Very low	150 Å²	150	112.4 Å²	112.4	65%	0.652	61%	0.612	S	S	*	*	H	α-helix	trans	-71	-39.2	172.5	-78	-178.6	178.6	-179.6	0	111.7	T24 Q25 T32	T24-K28 WeakPolarHBondContact O-CG 3.29Å; Q25-K28 PolarHBondContact O-N 3.13Å; K28-T32 WeakPolarHBondContact O-CB 2.79Å; K28-T32 PolarHBondContact O-N 2.91Å; K28-T32 PolarHBondContact O-OG1 2.95Å
29	E	52	Low	50.5	Low	118 Å²	118	114 Å²	114	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-66.7	-40.9	173.6	-87.5	-169.2	148.6	0	0	112.4	Q25 E26 T32 K33	Q25-E29 PolarHBondContact O-N 3.46Å; E26-E29 PolarHBondContact O-N 3.32Å; E29-T32 PolarHBondContact O-N 3.41Å; E29-K33 WeakPolarHBondContact O-CB 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.28Å; E29-K33 PolarHBondContact O-N 3.01Å
30	M	51.8	Low	51.4	Low	113 Å²	113	113.8 Å²	113.8	56%	0.557	59%	0.587	S	S	*	*	H	α-helix	trans	-62.9	-47.6	173.4	-88.5	-168.9	-78.5	0	0	111.6	E26 T32 K33 E34	E26-M30 WeakPolarHBondContact O-CB 3.12Å; E26-M30 PolarHBondContact O-N 3.21Å; M30-T32 PolarHBondContact O-N 3.06Å; M30-K33 PolarHBondContact O-N 3.38Å; M30-K33 VanDerWaalsContact O-N 3.16Å; M30-E34 WeakPolarHBondContact O-CB 3.4Å; M30-E34 WeakPolarHBondContact O-CG 3.2Å; M30-E34 PolarHBondContact O-N 3.46Å
31	A	53.6	Low	52	Low	44 Å²	44	105.6 Å²	105.6	36%	0.364	56%	0.56	S	S	.	*	H	α-helix	trans	-62.7	-32	177.1	0	0	0	0	0	112.7	S27 K35	S27-A31 VanDerWaalsContact O-CB 3.28Å; S27-A31 WeakPolarHBondContact O-CB 3.41Å; S27-A31 PolarHBondContact O-N 3.48Å; A31-K35 WeakPolarHBondContact O-CB 3.2Å; A31-K35 VanDerWaalsContact O-CG 3.3Å; A31-K35 WeakPolarHBondContact O-CG 3.27Å; A31-K35 PolarHBondContact O-N 3.26Å
32	T	61.6	Low	52.4	Low	95 Å²	95	107.5 Å²	107.5	58%	0.583	56%	0.559	S	S	*	*	H	α-helix	trans	-75.3	-38.4	176	-51.2	0	0	0	0	111.3	K28 E29 M30 K35 L36	K28-T32 WeakPolarHBondContact O-CB 2.79Å; K28-T32 PolarHBondContact O-N 2.91Å; K28-T32 PolarHBondContact O-OG1 2.95Å; E29-T32 PolarHBondContact O-N 3.41Å; M30-T32 PolarHBondContact O-N 3.06Å; T32-K35 PolarHBondContact O-N 3.06Å; T32-L36 VanDerWaalsContact O-CB 3.29Å; T32-L36 WeakPolarHBondContact O-CB 3.46Å; T32-L36 PolarHBondContact O-N 3.3Å
33	K	58.4	Low	52.9	Low	140 Å²	140	107.4 Å²	107.4	61%	0.609	55%	0.548	S	S	*	.	H	α-helix	trans	-66.5	-41.5	173.3	-78.5	177.3	-178.7	171.1	0	112	E29 M30 L36 Q37	E29-K33 WeakPolarHBondContact O-CB 3.42Å; E29-K33 WeakPolarHBondContact O-CG 3.28Å; E29-K33 PolarHBondContact O-N 3.01Å; M30-K33 PolarHBondContact O-N 3.38Å; M30-K33 VanDerWaalsContact O-N 3.16Å; K33-L36 PolarHBondContact O-N 3.45Å; K33-Q37 WeakPolarHBondContact O-CB 3.19Å; K33-Q37 PolarHBondContact O-N 3.43Å
34	E	63.9	Low	52.9	Low	138 Å²	138	111.1 Å²	111.1	65%	0.645	55%	0.551	S	S	*	*	H	α-helix	trans	-65.7	-40.5	175	-75.6	-179.1	162.1	0	0	111.8	M30 Q37 C38	M30-E34 WeakPolarHBondContact O-CB 3.4Å; M30-E34 WeakPolarHBondContact O-CG 3.2Å; M30-E34 PolarHBondContact O-N 3.46Å; E34-Q37 PolarHBondContact O-N 3.45Å; E34-C38 WeakPolarHBondContact O-CB 3.47Å; E34-C38 PolarHBondContact O-N 3.08Å
35	K	57.8	Low	52.8	Low	154 Å²	154	111.6 Å²	111.6	67%	0.67	55%	0.55	S	S	*	*	H	α-helix	trans	-64.8	-40.2	172.3	-79.4	-176.9	178	-173.2	0	112.6	A31 T32 Q37 C38 L39	A31-K35 WeakPolarHBondContact O-CB 3.2Å; A31-K35 VanDerWaalsContact O-CG 3.3Å; A31-K35 WeakPolarHBondContact O-CG 3.27Å; A31-K35 PolarHBondContact O-N 3.26Å; T32-K35 PolarHBondContact O-N 3.06Å; K35-Q37 VanDerWaalsContact C-N 3.34Å; K35-C38 PolarHBondContact O-N 3.29Å; K35-L39 WeakPolarHBondContact O-CB 3.3Å; K35-L39 PolarHBondContact O-N 2.81Å
36	L	58.6	Low	53	Low	96 Å²	96	107.9 Å²	107.9	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-67.8	-36.7	176.1	-167.4	74.5	0	0	0	111.4	T32 K33 K40	T32-L36 VanDerWaalsContact O-CB 3.29Å; T32-L36 WeakPolarHBondContact O-CB 3.46Å; T32-L36 PolarHBondContact O-N 3.3Å; K33-L36 PolarHBondContact O-N 3.45Å; L36-K40 WeakPolarHBondContact O-CB 3.08Å; L36-K40 VanDerWaalsContact O-CG 3.25Å; L36-K40 WeakPolarHBondContact O-CG 3.46Å; L36-K40 PolarHBondContact O-N 3.24Å
37	Q	58.2	Low	52.8	Low	93 Å²	93	107 Å²	107	44%	0.435	53%	0.533	S	S	.	.	H	α-helix	trans	-69.7	-43.8	175.9	-172.3	57	37.5	0	0	110.7	K33 E34 K35 L39 K40 D41	K33-Q37 WeakPolarHBondContact O-CB 3.19Å; K33-Q37 PolarHBondContact O-N 3.43Å; E34-Q37 PolarHBondContact O-N 3.45Å; K35-Q37 VanDerWaalsContact C-N 3.34Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 2.95Å; Q37-K40 CarbonylContact O-C 3.57Å; Q37-K40 WeakPolarHBondContact O-CB 3.47Å; Q37-K40 PolarHBondContact O-N 2.75Å; Q37-K40 VanDerWaalsContact O-N 3.14Å; Q37-D41 PolarHBondContact NE2-OD1 3.5Å; Q37-D41 PolarHBondContact NE2-OD2 3.33Å; Q37-D41 WeakPolarHBondContact O-CB 3.31Å; Q37-D41 VanDerWaalsContact O-CG 3.26Å; Q37-D41 PolarHBondContact O-N 2.91Å
38	C	56.2	Low	52.4	Low	83 Å²	83	109.9 Å²	109.9	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-62.5	-38.9	173.6	-168.5	0	0	0	0	111.8	E34 K35 D41 F42	E34-C38 WeakPolarHBondContact O-CB 3.47Å; E34-C38 PolarHBondContact O-N 3.08Å; K35-C38 PolarHBondContact O-N 3.29Å; C38-D41 PolarHBondContact O-N 3.39Å; C38-F42 WeakPolarHBondContact O-CB 3.49Å; C38-F42 PolarHBondContact O-N 3.03Å
39	L	52.8	Low	52	Low	107 Å²	107	107 Å²	107	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-65.2	-39	171.7	-92.6	158.8	0	0	0	112.9	K35 Q37 H43	K35-L39 WeakPolarHBondContact O-CB 3.3Å; K35-L39 PolarHBondContact O-N 2.81Å; Q37-L39 VanDerWaalsContact C-N 3.34Å; Q37-L39 PolarHBondContact O-N 2.95Å; L39-H43 WeakPolarHBondContact O-CB 3.27Å; L39-H43 PolarHBondContact O-N 2.98Å
40	K	54.4	Low	51.3	Low	119 Å²	119	104.8 Å²	104.8	52%	0.517	53%	0.532	S	S	.	.	H	α-helix	trans	-67.5	-41	174.6	-77.4	172.6	-179.5	179.9	0	111.5	L36 Q37 H43 K44	L36-K40 WeakPolarHBondContact O-CB 3.08Å; L36-K40 VanDerWaalsContact O-CG 3.25Å; L36-K40 WeakPolarHBondContact O-CG 3.46Å; L36-K40 PolarHBondContact O-N 3.24Å; Q37-K40 CarbonylContact O-C 3.57Å; Q37-K40 WeakPolarHBondContact O-CB 3.47Å; Q37-K40 PolarHBondContact O-N 2.75Å; Q37-K40 VanDerWaalsContact O-N 3.14Å; K40-H43 PolarHBondContact O-N 3.28Å; K40-K44 WeakPolarHBondContact O-CB 3.46Å; K40-K44 PolarHBondContact O-N 3.01Å
41	D	50.9	Low	50.3	Low	62 Å²	62	106.1 Å²	106.1	33%	0.332	55%	0.549	S	S	.	.	H	α-helix	trans	-71.9	-37.5	178.7	-68.6	-30.9	0	0	0	111	Q37 C38 K44 D45	Q37-D41 PolarHBondContact NE2-OD1 3.5Å; Q37-D41 PolarHBondContact NE2-OD2 3.33Å; Q37-D41 WeakPolarHBondContact O-CB 3.31Å; Q37-D41 VanDerWaalsContact O-CG 3.26Å; Q37-D41 PolarHBondContact O-N 2.91Å; C38-D41 PolarHBondContact O-N 3.39Å; D41-K44 CarbonylContact O-C 3.59Å; D41-K44 WeakPolarHBondContact O-CB 3.46Å; D41-K44 PolarHBondContact O-N 2.61Å; D41-K44 VanDerWaalsContact O-N 3.14Å; D41-D45 WeakPolarHBondContact O-CB 3.32Å; D41-D45 PolarHBondContact O-N 3.08Å
42	F	50	Low	49.7	Very low	134 Å²	134	106 Å²	106	59%	0.588	55%	0.552	S	S	*	*	H	α-helix	trans	-63.7	-42.5	170.7	-162.7	-98.8	0	0	0	112	C38 K44 I46	C38-F42 WeakPolarHBondContact O-CB 3.49Å; C38-F42 PolarHBondContact O-N 3.03Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.08Å; F42-I46 HydrophobicContact CD1-CD1 3.69Å; F42-I46 HydrophobicContact CE1-CD1 3.53Å; F42-I46 HydrophobicContact CZ-CD1 4.34Å; F42-I46 WeakPolarHBondContact O-CB 3.34Å; F42-I46 VanDerWaalsContact O-CG1 3.27Å; F42-I46 WeakPolarHBondContact O-CG1 3.44Å; F42-I46 PolarHBondContact O-N 2.9Å; F42-I46 VanDerWaalsContact O-N 3.09Å
43	H	52	Low	48.7	Very low	121 Å²	121	107.3 Å²	107.3	56%	0.56	55%	0.55	S	S	*	.	H	α-helix	trans	-62.4	-38.6	170.5	-107.9	79.4	0	0	0	112.1	L39 K40 L47	L39-H43 WeakPolarHBondContact O-CB 3.27Å; L39-H43 PolarHBondContact O-N 2.98Å; K40-H43 PolarHBondContact O-N 3.28Å; H43-L47 WeakPolarHBondContact O-CB 3.42Å; H43-L47 VanDerWaalsContact O-CD1 3.32Å; H43-L47 WeakPolarHBondContact O-CD1 3.36Å; H43-L47 WeakPolarHBondContact O-CG 3.3Å; H43-L47 PolarHBondContact O-N 3.36Å; H43-L47 VanDerWaalsContact O-N 3.09Å
44	K	45	Very low	47.8	Very low	125 Å²	125	102.2 Å²	102.2	54%	0.543	53%	0.531	S	S	.	.	H	α-helix	trans	-71.3	-33.4	-178.2	-165.6	179	-175.9	-178	0	112.4	K40 D41 F42 L47 K48	K40-K44 WeakPolarHBondContact O-CB 3.46Å; K40-K44 PolarHBondContact O-N 3.01Å; D41-K44 CarbonylContact O-C 3.59Å; D41-K44 WeakPolarHBondContact O-CB 3.46Å; D41-K44 PolarHBondContact O-N 2.61Å; D41-K44 VanDerWaalsContact O-N 3.14Å; F42-K44 VanDerWaalsContact C-N 3.31Å; F42-K44 PolarHBondContact O-N 3.08Å; K44-L47 PolarHBondContact O-N 3.1Å; K44-K48 PolarHBondContact O-N 3.39Å; K44-K48 VanDerWaalsContact O-N 3.11Å
45	D	44.7	Very low	46.6	Very low	102 Å²	102	98.3 Å²	98.3	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-82.3	-25.6	177.2	-74.2	-22.8	0	0	0	112.9	D41 L47 K48	D41-D45 WeakPolarHBondContact O-CB 3.32Å; D41-D45 PolarHBondContact O-N 3.08Å; D45-L47 VanDerWaalsContact C-N 3.32Å; D45-K48 IonicContact OD1-NZ 2.73Å; D45-K48 PolarHBondContact OD1-NZ 3.34Å
46	I	48	Very low	46.1	Very low	79 Å²	79	92.8 Å²	92.8	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-68.8	-31.2	165.3	-72	175.8	0	0	0	111.5	F42 P59	F42-I46 HydrophobicContact CD1-CD1 3.69Å; F42-I46 HydrophobicContact CE1-CD1 3.53Å; F42-I46 HydrophobicContact CZ-CD1 4.34Å; F42-I46 WeakPolarHBondContact O-CB 3.34Å; F42-I46 VanDerWaalsContact O-CG1 3.27Å; F42-I46 WeakPolarHBondContact O-CG1 3.44Å; F42-I46 PolarHBondContact O-N 2.9Å; F42-I46 VanDerWaalsContact O-N 3.09Å; I46-P59 HydrophobicContact CG2-CB 4.2Å; I46-P59 HydrophobicContact CG2-CG 3.57Å
47	L	45.6	Very low	45.5	Very low	111 Å²	111	89.3 Å²	89.3	58%	0.581	49%	0.488	S	S	*	.	S	Bend	trans	-92.1	-5.6	-178.4	-72.1	167.4	0	0	0	114.6	H43 K44 D45 P49	H43-L47 WeakPolarHBondContact O-CB 3.42Å; H43-L47 VanDerWaalsContact O-CD1 3.32Å; H43-L47 WeakPolarHBondContact O-CD1 3.36Å; H43-L47 WeakPolarHBondContact O-CG 3.3Å; H43-L47 PolarHBondContact O-N 3.36Å; H43-L47 VanDerWaalsContact O-N 3.09Å; K44-L47 PolarHBondContact O-N 3.1Å; D45-L47 VanDerWaalsContact C-N 3.32Å; L47-P49 WeakPolarHBondContact O-CD 2.82Å
48	K	36.8	Very low	45.3	Very low	124 Å²	124	90.9 Å²	90.9	54%	0.539	49%	0.49	S	S	.	.	S	Bend	trans	-80.6	118.7	169.3	-86.4	176.3	-175.2	162.3	0	108.6	K44 D45 S50	K44-K48 PolarHBondContact O-N 3.39Å; K44-K48 VanDerWaalsContact O-N 3.11Å; D45-K48 IonicContact OD1-NZ 2.73Å; D45-K48 PolarHBondContact OD1-NZ 3.34Å; K48-S50 PolarHBondContact O-N 2.64Å
49	P	39.6	Very low	45	Very low	90 Å²	90	89.6 Å²	89.6	58%	0.584	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-63.1	127.4	173.5	25.1	-29.9	0	0	0	108.9	L47	L47-P49 WeakPolarHBondContact O-CD 2.82Å
50	S	37	Very low	45	Very low	70 Å²	70	89.2 Å²	89.2	49%	0.49	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-54.7	150.8	163.2	-68	0	0	0	0	109.7	K48 G52 K53	K48-S50 PolarHBondContact O-N 2.64Å; S50-G52 PolarHBondContact O-N 3.25Å; S50-K53 PolarHBondContact O-N 3.28Å
51	P	31.9	Very low	45	Very low	141 Å²	141	84.3 Å²	84.3	92%	0.916	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	113.9	175.9	-16.4	28.2	0	0	0	109.3
52	G	40	Very low	45.1	Very low	41 Å²	41	85.6 Å²	85.6	42%	0.423	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.5	8.7	178.8	0	0	0	0	0	118	S50 Y455	S50-G52 PolarHBondContact O-N 3.25Å; G52-Y455 WeakPolarHBondContact CA-OH 3.38Å
53	K	40.9	Very low	45.4	Very low	124 Å²	124	83.5 Å²	83.5	54%	0.539	47%	0.466	S	S	.	.			trans	-102.9	143.5	174.2	-68.2	-170	176.5	-170.3	0	113.3	S50	S50-K53 PolarHBondContact O-N 3.28Å
54	S	39.6	Very low	45.6	Very low	32 Å²	32	83.7 Å²	83.7	22%	0.224	47%	0.468	C	S	.	.			trans	-58.5	129	-178.8	-171.2	0	0	0	0	110.7	G56 R452	S54-G56 PolarHBondContact O-N 2.94Å; S54-R452 PolarHBondContact OG-O 3.23Å
55	P	39	Very low	46.2	Very low	57 Å²	57	80.9 Å²	80.9	37%	0.37	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	109.5	-178	-4.4	19.2	0	0	0	110.5
56	G	46.2	Very low	46.8	Very low	38 Å²	38	81 Å²	81	39%	0.392	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	141.5	-12	166.6	0	0	0	0	0	117.2	S54	S54-G56 PolarHBondContact O-N 2.94Å
57	T	46.7	Very low	47.4	Very low	23 Å²	23	80.5 Å²	80.5	14%	0.141	47%	0.472	C	S	.	.			trans	-83.4	127	176.7	-16	0	0	0	0	110.9	D61 E62	T57-D61 HydrophobicContact CG2-CB 3.99Å; T57-E62 VanDerWaalsContact CB-CG 3.5Å; T57-E62 VanDerWaalsContact CB-OE1 3.27Å; T57-E62 WeakPolarHBondContact CB-OE1 3.03Å; T57-E62 HydrophobicContact CG2-CB 4.46Å; T57-E62 HydrophobicContact CG2-CG 3.3Å; T57-E62 PolarHBondContact OG1-OE1 2.88Å
58	R	53.5	Low	48.3	Very low	125 Å²	125	75.8 Å²	75.8	47%	0.472	45%	0.448	S	S	.	.			trans	-68.9	140.8	165.3	-59	-173.5	-165.5	178.6	3.7	108.1	E60 D61 E62	R58-E60 HydrophobicContact CB-CG 3.63Å; R58-E60 WeakPolarHBondContact CD-OE1 3.47Å; R58-E60 IonicContact CZ-OE1 2.87Å; R58-E60 IonicContact NE-OE1 2.76Å; R58-E60 IonicContact NH1-OE1 2.76Å; R58-E60 PolarHBondContact NH1-OE1 2.74Å; R58-E60 PolarHBondContact O-N 3.32Å; R58-E60 VanDerWaalsContact O-N 3.11Å; R58-D61 PolarHBondContact O-N 3.35Å; R58-E62 PolarHBondContact O-N 3.2Å
59	P	50.5	Low	49.8	Very low	56 Å²	56	74.2 Å²	74.2	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-57.9	-27.6	-179.3	-32.7	43.4	0	0	0	113.9	I46 A63	I46-P59 HydrophobicContact CG2-CB 4.2Å; I46-P59 HydrophobicContact CG2-CG 3.57Å; P59-A63 WeakPolarHBondContact O-CB 2.84Å; P59-A63 PolarHBondContact O-N 3.42Å; P59-A63 VanDerWaalsContact O-N 3.09Å
60	E	51.9	Low	51.6	Low	99 Å²	99	71.6 Å²	71.6	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-62	-42.9	170	60.2	-131.8	-153.6	0	0	113.7	R58 A63 E64	R58-E60 HydrophobicContact CB-CG 3.63Å; R58-E60 WeakPolarHBondContact CD-OE1 3.47Å; R58-E60 IonicContact CZ-OE1 2.87Å; R58-E60 IonicContact NE-OE1 2.76Å; R58-E60 IonicContact NH1-OE1 2.76Å; R58-E60 PolarHBondContact NH1-OE1 2.74Å; R58-E60 PolarHBondContact O-N 3.32Å; R58-E60 VanDerWaalsContact O-N 3.11Å; E60-A63 PolarHBondContact O-N 3.5Å; E60-E64 WeakPolarHBondContact O-CG 3.41Å; E60-E64 PolarHBondContact O-N 3.17Å; E60-E64 VanDerWaalsContact O-N 3.13Å
61	D	54.4	Low	53.9	Low	16 Å²	16	70 Å²	70	9%	0.086	41%	0.406	C	S	.	.	H	α-helix	trans	-71.2	-33.2	179.4	-71	-37.3	0	0	0	111.5	T57 R58 E64 G65 K66 Q69	T57-D61 HydrophobicContact CG2-CB 3.99Å; R58-D61 PolarHBondContact O-N 3.35Å; D61-E64 PolarHBondContact O-N 2.85Å; D61-G65 PolarHBondContact O-N 3.46Å; D61-K66 HydrophobicContact CB-CB 4.17Å; D61-K66 HydrophobicContact CB-CD 4.43Å; D61-K66 WeakPolarHBondContact O-CB 3.43Å; D61-K66 PolarHBondContact O-N 3.31Å; D61-K66 WeakPolarHBondContact OD1-CD 3.3Å; D61-K66 IonicContact OD1-NZ 3.6Å; D61-Q69 PolarHBondContact OD2-NE2 3.44Å
62	E	54.7	Low	56.6	Low	89 Å²	89	66.7 Å²	66.7	42%	0.416	38%	0.377	S	S	.	.	H	α-helix	trans	-67.8	-39.7	172.9	-66.3	-167.2	162	0	0	111.9	T57 R58 E64 G65	T57-E62 VanDerWaalsContact CB-CG 3.5Å; T57-E62 VanDerWaalsContact CB-OE1 3.27Å; T57-E62 WeakPolarHBondContact CB-OE1 3.03Å; T57-E62 HydrophobicContact CG2-CB 4.46Å; T57-E62 HydrophobicContact CG2-CG 3.3Å; T57-E62 PolarHBondContact OG1-OE1 2.88Å; R58-E62 PolarHBondContact O-N 3.2Å; E62-E64 VanDerWaalsContact C-N 3.27Å; E62-E64 PolarHBondContact O-N 3.39Å; E62-G65 PolarHBondContact O-N 3.2Å; E62-G65 VanDerWaalsContact O-N 3.14Å
63	A	55.8	Low	59	Low	90 Å²	90	65.5 Å²	65.5	74%	0.744	36%	0.36	S	S	*	.	H	α-helix	trans	-65.5	-30.8	176.8	0	0	0	0	0	112.4	P59 E60 G65	P59-A63 WeakPolarHBondContact O-CB 2.84Å; P59-A63 PolarHBondContact O-N 3.42Å; P59-A63 VanDerWaalsContact O-N 3.09Å; E60-A63 PolarHBondContact O-N 3.5Å; A63-G65 VanDerWaalsContact C-N 3.33Å
64	E	55.3	Low	61.1	Low	125 Å²	125	63.3 Å²	63.3	58%	0.584	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.6	175.1	-68.4	-179.1	-179	0	0	113.6	E60 D61 E62 K66	E60-E64 WeakPolarHBondContact O-CG 3.41Å; E60-E64 PolarHBondContact O-N 3.17Å; E60-E64 VanDerWaalsContact O-N 3.13Å; D61-E64 PolarHBondContact O-N 2.85Å; E62-E64 VanDerWaalsContact C-N 3.27Å; E62-E64 PolarHBondContact O-N 3.39Å; E64-K66 HydrophobicContact CB-CD 4.33Å; E64-K66 HydrophobicContact CB-CG 4.24Å; E64-K66 PolarHBondContact O-N 3.18Å; E64-K66 WeakPolarHBondContact OE2-CE 3.24Å; E64-K66 IonicContact OE2-NZ 3.89Å; E64-K66 PolarHBondContact OE2-NZ 3.35Å
65	G	57.9	Low	63.6	Low	67 Å²	67	63.6 Å²	63.6	69%	0.691	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	15.8	-178.2	0	0	0	0	0	114.2	D61 E62 A63	D61-G65 PolarHBondContact O-N 3.46Å; E62-G65 PolarHBondContact O-N 3.2Å; E62-G65 VanDerWaalsContact O-N 3.14Å; A63-G65 VanDerWaalsContact C-N 3.33Å
66	K	57.4	Low	66	Low	104 Å²	104	67.8 Å²	67.8	45%	0.452	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-67.5	145.6	177.1	-74.1	172.2	172	163.2	0	110.2	D61 E64	D61-K66 HydrophobicContact CB-CB 4.17Å; D61-K66 HydrophobicContact CB-CD 4.43Å; D61-K66 WeakPolarHBondContact O-CB 3.43Å; D61-K66 PolarHBondContact O-N 3.31Å; D61-K66 WeakPolarHBondContact OD1-CD 3.3Å; D61-K66 IonicContact OD1-NZ 3.6Å; E64-K66 HydrophobicContact CB-CD 4.33Å; E64-K66 HydrophobicContact CB-CG 4.24Å; E64-K66 PolarHBondContact O-N 3.18Å; E64-K66 WeakPolarHBondContact OE2-CE 3.24Å; E64-K66 IonicContact OE2-NZ 3.89Å; E64-K66 PolarHBondContact OE2-NZ 3.35Å
67	P	60.6	Low	68.3	Low	69 Å²	69	70.5 Å²	70.5	45%	0.448	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-62.1	148.5	176.1	26	-32.8	0	0	0	110.5	Q69	P67-Q69 PolarHBondContact O-N 2.96Å
68	P	64.6	Low	70.4	Confident	12 Å²	12	69.4 Å²	69.4	8%	0.078	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-52.8	129.6	177.2	-23.9	32.4	0	0	0	111.4	R452 K453	P68-R452 HydrophobicContact CB-CB 4.09Å; P68-R452 HydrophobicContact CG-CB 3.93Å; P68-R452 PolarHBondContact O-NH1 2.89Å; P68-K453 HydrophobicContact CG-CG 4.49Å
69	Q	68.9	Low	72.4	Confident	90 Å²	90	63.5 Å²	63.5	42%	0.421	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.1	178	-68.8	-166.6	6.6	0	0	110.2	D61 P67	D61-Q69 PolarHBondContact OD2-NE2 3.44Å; P67-Q69 PolarHBondContact O-N 2.96Å
70	R	76.8	Confident	74.5	Confident	35 Å²	35	62.9 Å²	62.9	13%	0.132	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-62.2	138.1	177.6	-165.1	-165.4	-162.7	94.4	12.6	109.5	S135 E136 S343 Y344 D445	R70-S135 PolarHBondContact NH1-O 2.94Å; R70-E136 VanDerWaalsContact NH1-CA 3.28Å; R70-S343 VanDerWaalsContact CZ-CB 3.5Å; R70-S343 PolarHBondContact NE-OG 3.46Å; R70-S343 PolarHBondContact NH2-OG 3.26Å; R70-Y344 HydrophobicContact CG-CD1 4.02Å; R70-Y344 HydrophobicContact CG-CE1 3.98Å; R70-D445 IonicContact CZ-OD2 3.97Å; R70-D445 VanDerWaalsContact CZ-OD2 3.23Å; R70-D445 IonicContact NH1-OD1 3.87Å; R70-D445 IonicContact NH1-OD2 2.78Å; R70-D445 PolarHBondContact NH1-OD2 3.04Å; R70-D445 IonicContact NH2-OD2 3.03Å; R70-D445 PolarHBondContact NH2-OD2 3.37Å
71	E	84.5	Confident	76.5	Confident	36 Å²	36	59.7 Å²	59.7	17%	0.168	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-62	160	169.8	-59.8	-158.2	123.9	0	0	111.4	V268 R269 Y344	E71-V268 HydrophobicContact CB-CG2 4.13Å; E71-R269 IonicContact OE1-CZ 3.72Å; E71-R269 VanDerWaalsContact OE1-CZ 3.24Å; E71-R269 IonicContact OE1-NE 2.63Å; E71-R269 PolarHBondContact OE1-NE 3.28Å; E71-R269 IonicContact OE1-NH2 3.25Å; E71-R269 PolarHBondContact OE1-NH2 3.04Å; E71-R269 VanDerWaalsContact OE1-NH2 3.13Å; E71-Y344 WeakPolarHBondContact O-CD1 3.3Å
72	K	89.1	Confident	78.4	Confident	73 Å²	73	59 Å²	59	32%	0.317	33%	0.327	S	S	.	.			trans	-131.7	155.2	174.3	-65.6	-67.3	-178.4	179	0	108.5	S74 S135 S343 Y344 N345	K72-S74 PolarHBondContact O-N 2.66Å; K72-S135 PolarHBondContact NZ-OG 3.49Å; K72-S135 VanDerWaalsContact NZ-OG 3.11Å; K72-S343 PolarHBondContact NZ-O 3.45Å; K72-Y344 VanDerWaalsContact CA-O 3.3Å; K72-Y344 WeakPolarHBondContact CA-O 2.96Å; K72-Y344 WeakPolarHBondContact CD-O 3.36Å; K72-N345 WeakPolarHBondContact CD-O 3.44Å; K72-N345 PolarHBondContact NZ-O 3.25Å
73	W	90.6	Very high	80.3	Confident	16 Å²	16	54.7 Å²	54.7	6%	0.061	31%	0.308	C	S	.	.			trans	-55.8	133.7	175.6	-66.7	110.7	0	0	0	111.5	S75 D78 F79 S82 V268 L341 Y344	W73-S75 VanDerWaalsContact C-N 3.34Å; W73-D78 HydrophobicContact CE3-CB 3.86Å; W73-D78 HydrophobicContact CZ3-CB 4.41Å; W73-F79 HydrophobicContact CD2-CB 4.1Å; W73-F79 HydrophobicContact CG-CB 3.95Å; W73-F79 HydrophobicContact CZ2-CD2 4.45Å; W73-F79 AromaticContact NE1-CD2 3.48Å; W73-S82 WeakPolarHBondContact CH2-OG 3.42Å; W73-S82 WeakPolarHBondContact CZ3-OG 3.43Å; W73-V268 HydrophobicContact CD2-CB 4.33Å; W73-V268 HydrophobicContact CE3-CB 3.81Å; W73-V268 HydrophobicContact CE3-CG1 4.32Å; W73-V268 HydrophobicContact CH2-CB 3.84Å; W73-V268 HydrophobicContact CH2-CG1 3.57Å; W73-V268 HydrophobicContact CZ2-CB 4.34Å; W73-V268 HydrophobicContact CZ2-CG1 3.8Å; W73-V268 HydrophobicContact CZ3-CB 3.56Å; W73-V268 HydrophobicContact CZ3-CG1 3.87Å; W73-L341 HydrophobicContact CH2-CD2 4.04Å; W73-L341 HydrophobicContact CZ2-CB 4.37Å; W73-L341 HydrophobicContact CZ2-CD2 3.7Å; W73-L341 PolarHBondContact NE1-O 3.35Å; W73-Y344 VanDerWaalsContact CD1-C 3.42Å; W73-Y344 HydrophobicContact CZ2-CD2 4.33Å; W73-Y344 PolarHBondContact N-O 3.29Å; W73-Y344 VanDerWaalsContact N-O 3.1Å
74	S	86	Confident	82.1	Confident	78 Å²	78	50.6 Å²	50.6	55%	0.545	27%	0.273	S	S	.	.	S	Bend	trans	-67.6	-36.1	177.2	29.4	0	0	0	0	112.2	K72 D78	K72-S74 PolarHBondContact O-N 2.66Å; S74-D78 WeakPolarHBondContact CB-OD2 3.25Å; S74-D78 PolarHBondContact OG-OD2 3.4Å
75	S	90.3	Very high	83.8	Confident	38 Å²	38	44.7 Å²	44.7	27%	0.266	25%	0.246	S	C	.	.			trans	-139.3	160.9	178.6	97.3	0	0	0	0	112	W73 I77 D78	W73-S75 VanDerWaalsContact C-N 3.34Å; S75-I77 VanDerWaalsContact C-N 3.28Å; S75-I77 PolarHBondContact OG-N 3.08Å; S75-D78 PolarHBondContact N-OD2 3.22Å; S75-D78 PolarHBondContact O-N 3.16Å; S75-D78 PolarHBondContact OG-N 3.14Å; S75-D78 PolarHBondContact OG-OD1 2.87Å; S75-D78 PolarHBondContact OG-OD2 3.3Å
76	K	91.4	Very high	85.3	Confident	145 Å²	145	41.6 Å²	41.6	63%	0.63	22%	0.215	S	C	*	.	H	α-helix	trans	-64.9	-35.7	173.5	-52.8	-162.8	170.9	176.5	0	111.8	D78 F79 V80 Y349	K76-D78 VanDerWaalsContact C-N 3.31Å; K76-F79 PolarHBondContact O-N 3.46Å; K76-V80 WeakPolarHBondContact O-CG2 3.38Å; K76-V80 PolarHBondContact O-N 2.66Å; K76-Y349 HydrophobicContact CB-CE2 3.91Å; K76-Y349 HydrophobicContact CD-CD2 4.47Å; K76-Y349 HydrophobicContact CD-CE2 3.74Å; K76-Y349 HydrophobicContact CG-CD2 4.48Å; K76-Y349 HydrophobicContact CG-CE2 3.67Å
77	I	92.4	Very high	86.6	Confident	94 Å²	94	36.9 Å²	36.9	48%	0.482	19%	0.194	S	C	.	.	H	α-helix	trans	-68.2	-36	-179.4	-64	172	0	0	0	109.9	S75 F79 V80 L81 Y276	S75-I77 VanDerWaalsContact C-N 3.28Å; S75-I77 PolarHBondContact OG-N 3.08Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 3.23Å; I77-V80 PolarHBondContact O-N 3.09Å; I77-L81 HydrophobicContact CG2-CD1 3.58Å; I77-L81 HydrophobicContact CG2-CG 3.85Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 WeakPolarHBondContact O-CG 3.39Å; I77-L81 PolarHBondContact O-N 3.22Å; I77-Y276 HydrophobicContact CG2-CE1 3.93Å; I77-Y276 WeakPolarHBondContact CG2-OH 3.45Å
78	D	92.8	Very high	88	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-45.7	176.1	-54.1	-8.4	0	0	0	110.2	W73 S74 S75 K76 S82 Y276	W73-D78 HydrophobicContact CE3-CB 3.86Å; W73-D78 HydrophobicContact CZ3-CB 4.41Å; S74-D78 WeakPolarHBondContact CB-OD2 3.25Å; S74-D78 PolarHBondContact OG-OD2 3.4Å; S75-D78 PolarHBondContact N-OD2 3.22Å; S75-D78 PolarHBondContact O-N 3.16Å; S75-D78 PolarHBondContact OG-N 3.14Å; S75-D78 PolarHBondContact OG-OD1 2.87Å; S75-D78 PolarHBondContact OG-OD2 3.3Å; K76-D78 VanDerWaalsContact C-N 3.31Å; D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 2.84Å; D78-S82 PolarHBondContact O-OG 3.03Å; D78-Y276 WeakPolarHBondContact OD1-CE2 3.33Å; D78-Y276 PolarHBondContact OD1-OH 3.24Å
79	F	93.8	Very high	89.2	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-53.6	174.6	169.3	-108.8	0	0	0	111.6	W73 K76 I77 L81 S82 V83 I128 L341 N345 Y349	W73-F79 HydrophobicContact CD2-CB 4.1Å; W73-F79 HydrophobicContact CG-CB 3.95Å; W73-F79 HydrophobicContact CZ2-CD2 4.45Å; W73-F79 AromaticContact NE1-CD2 3.48Å; K76-F79 PolarHBondContact O-N 3.46Å; I77-F79 VanDerWaalsContact C-N 3.29Å; I77-F79 PolarHBondContact O-N 3.23Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.44Å; F79-S82 PolarHBondContact O-N 3.11Å; F79-V83 HydrophobicContact CD2-CG2 3.77Å; F79-V83 HydrophobicContact CE1-CG2 4.41Å; F79-V83 HydrophobicContact CE2-CG2 3.4Å; F79-V83 VanDerWaalsContact CE2-CG2 3.4Å; F79-V83 HydrophobicContact CG-CG2 4.43Å; F79-V83 HydrophobicContact CZ-CG2 3.76Å; F79-V83 WeakPolarHBondContact O-CG2 3.33Å; F79-V83 PolarHBondContact O-N 3.16Å; F79-I128 HydrophobicContact CE2-CD1 4.17Å; F79-I128 HydrophobicContact CZ-CD1 4.11Å; F79-I128 HydrophobicContact CZ-CG2 4.07Å; F79-L341 HydrophobicContact CE2-CB 4.43Å; F79-N345 WeakPolarHBondContact CD2-OD1 3.49Å; F79-N345 VanDerWaalsContact CE2-ND2 3.35Å; F79-N345 WeakPolarHBondContact CE2-ND2 3.46Å; F79-N345 WeakPolarHBondContact CG-OD1 3.32Å; F79-N345 VanDerWaalsContact CZ-ND2 3.27Å; F79-N345 WeakPolarHBondContact CZ-ND2 3.02Å; F79-Y349 AromaticContact CD1-CE1 3.82Å; F79-Y349 HydrophobicContact CD1-CE1 3.82Å; F79-Y349 AromaticContact CD1-CZ 3.81Å; F79-Y349 AromaticContact CE1-CE1 3.77Å; F79-Y349 HydrophobicContact CE1-CE1 3.77Å
80	V	94.9	Very high	90.1	Very high	44 Å²	44	29.2 Å²	29.2	27%	0.267	15%	0.152	S	C	.	.	H	α-helix	trans	-59.6	-43.2	-176.3	171.7	0	0	0	0	111.8	K76 I77 A84 D354 L358	K76-V80 WeakPolarHBondContact O-CG2 3.38Å; K76-V80 PolarHBondContact O-N 2.66Å; I77-V80 PolarHBondContact O-N 3.09Å; V80-A84 VanDerWaalsContact O-CB 3.22Å; V80-A84 WeakPolarHBondContact O-CB 3.49Å; V80-A84 PolarHBondContact O-N 3.45Å; V80-D354 HydrophobicContact CG2-CB 4.49Å; V80-L358 HydrophobicContact CG1-CD2 4.02Å
81	L	94.2	Very high	90.6	Very high	32 Å²	32	28.5 Å²	28.5	17%	0.168	16%	0.156	C	C	.	.	H	α-helix	trans	-72.8	-36.9	177.6	-69.1	-179.3	0	0	0	112.6	I77 F79 V83 A84 G85 V275 Y276 T280	I77-L81 HydrophobicContact CG2-CD1 3.58Å; I77-L81 HydrophobicContact CG2-CG 3.85Å; I77-L81 WeakPolarHBondContact O-CB 3.34Å; I77-L81 WeakPolarHBondContact O-CG 3.39Å; I77-L81 PolarHBondContact O-N 3.22Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 3.44Å; L81-V83 VanDerWaalsContact C-N 3.34Å; L81-A84 PolarHBondContact O-N 2.04Å; L81-G85 PolarHBondContact O-N 3.22Å; L81-V275 HydrophobicContact CB-CB 4.2Å; L81-V275 HydrophobicContact CB-CG2 3.85Å; L81-Y276 HydrophobicContact CD1-CD1 3.95Å; L81-Y276 HydrophobicContact CD1-CD2 4.41Å; L81-Y276 HydrophobicContact CD1-CE1 4.07Å; L81-Y276 HydrophobicContact CD1-CG 4.15Å; L81-T280 HydrophobicContact CD2-CG2 4.42Å
82	S	93.9	Very high	90.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.2	-41	175.7	-59.2	0	0	0	0	111.3	W73 D78 F79 G86 V434	W73-S82 WeakPolarHBondContact CH2-OG 3.42Å; W73-S82 WeakPolarHBondContact CZ3-OG 3.43Å; D78-S82 WeakPolarHBondContact O-CB 3.49Å; D78-S82 PolarHBondContact O-N 2.84Å; D78-S82 PolarHBondContact O-OG 3.03Å; F79-S82 PolarHBondContact O-N 3.11Å; S82-G86 PolarHBondContact O-N 2.91Å; S82-G86 VanDerWaalsContact O-N 3.12Å; S82-V434 WeakPolarHBondContact O-CG2 3.34Å
83	V	94.8	Very high	90.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-58.2	171	-175.1	0	0	0	0	107.4	F79 L81 G85 G86 F87 F124 M338 L341 L358	F79-V83 HydrophobicContact CD2-CG2 3.77Å; F79-V83 HydrophobicContact CE1-CG2 4.41Å; F79-V83 HydrophobicContact CE2-CG2 3.4Å; F79-V83 VanDerWaalsContact CE2-CG2 3.4Å; F79-V83 HydrophobicContact CG-CG2 4.43Å; F79-V83 HydrophobicContact CZ-CG2 3.76Å; F79-V83 WeakPolarHBondContact O-CG2 3.33Å; F79-V83 PolarHBondContact O-N 3.16Å; L81-V83 VanDerWaalsContact C-N 3.34Å; V83-G85 PolarHBondContact O-N 3.05Å; V83-G85 VanDerWaalsContact O-N 3.16Å; V83-G86 WeakPolarHBondContact O-CA 3.5Å; V83-G86 PolarHBondContact O-N 3.48Å; V83-F87 VanDerWaalsContact C-CD1 3.49Å; V83-F87 HydrophobicContact CB-CE1 4.34Å; V83-F87 HydrophobicContact CG1-CD1 3.81Å; V83-F87 HydrophobicContact CG1-CE1 3.57Å; V83-F87 HydrophobicContact CG1-CZ 4.47Å; V83-F87 WeakPolarHBondContact O-CD1 3.22Å; V83-F87 WeakPolarHBondContact O-CE1 3.4Å; V83-F87 PolarHBondContact O-N 3.15Å; V83-F124 HydrophobicContact CG1-CE2 3.89Å; V83-F124 HydrophobicContact CG1-CZ 3.71Å; V83-M338 HydrophobicContact CG1-SD 4.12Å; V83-L341 HydrophobicContact CG2-CD1 3.81Å; V83-L358 HydrophobicContact CB-CD1 3.93Å; V83-L358 HydrophobicContact CG1-CD1 3.75Å
84	A	93.9	Very high	90.5	Very high	3 Å²	3	24 Å²	24	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-44.8	-52.5	-179.2	0	0	0	0	0	114.1	V80 L81 G86 F87 V88 L358 L361	V80-A84 VanDerWaalsContact O-CB 3.22Å; V80-A84 WeakPolarHBondContact O-CB 3.49Å; V80-A84 PolarHBondContact O-N 3.45Å; L81-A84 PolarHBondContact O-N 2.04Å; A84-G86 VanDerWaalsContact C-N 3.33Å; A84-G86 PolarHBondContact O-N 3.4Å; A84-F87 HydrophobicContact CB-CE1 4.49Å; A84-V88 WeakPolarHBondContact O-CB 3.08Å; A84-V88 VanDerWaalsContact O-CG2 3.3Å; A84-V88 WeakPolarHBondContact O-CG2 3.32Å; A84-V88 PolarHBondContact O-N 3.15Å; A84-L358 HydrophobicContact CB-CD2 4.02Å; A84-L361 HydrophobicContact CB-CD2 3.98Å
85	G	90.9	Very high	90.6	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-65.9	-32.9	177.3	0	0	0	0	0	113.6	L81 V83 D430 S431	L81-G85 PolarHBondContact O-N 3.22Å; V83-G85 PolarHBondContact O-N 3.05Å; V83-G85 VanDerWaalsContact O-N 3.16Å; G85-D430 VanDerWaalsContact C-CB 3.47Å; G85-D430 WeakPolarHBondContact O-CB 3.4Å; G85-S431 PolarHBondContact O-N 3Å
86	G	88.8	Confident	90.8	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-45	179.3	0	0	0	0	0	113.9	S82 V83 A84 S431	S82-G86 PolarHBondContact O-N 2.91Å; S82-G86 VanDerWaalsContact O-N 3.12Å; V83-G86 WeakPolarHBondContact O-CA 3.5Å; V83-G86 PolarHBondContact O-N 3.48Å; A84-G86 VanDerWaalsContact C-N 3.33Å; A84-G86 PolarHBondContact O-N 3.4Å; G86-S431 WeakPolarHBondContact O-CA 3.35Å; G86-S431 WeakPolarHBondContact O-CB 3.48Å; G86-S431 PolarHBondContact O-OG 3.07Å
87	F	86.3	Confident	90.8	Very high	5 Å²	5	15 Å²	15	2%	0.022	8%	0.08	C	C	.	.	H	α-helix	trans	-104.1	-17.2	-175.8	71.9	-66.7	0	0	0	114.2	V83 A84 G89 N92 S330 Y331 L358 N362	V83-F87 VanDerWaalsContact C-CD1 3.49Å; V83-F87 HydrophobicContact CB-CE1 4.34Å; V83-F87 HydrophobicContact CG1-CD1 3.81Å; V83-F87 HydrophobicContact CG1-CE1 3.57Å; V83-F87 HydrophobicContact CG1-CZ 4.47Å; V83-F87 WeakPolarHBondContact O-CD1 3.22Å; V83-F87 WeakPolarHBondContact O-CE1 3.4Å; V83-F87 PolarHBondContact O-N 3.15Å; A84-F87 HydrophobicContact CB-CE1 4.49Å; F87-G89 PolarHBondContact O-N 2.94Å; F87-N92 PolarHBondContact O-OD1 2.87Å; F87-N92 VanDerWaalsContact O-OD1 3.12Å; F87-S330 WeakPolarHBondContact CB-O 3.32Å; F87-Y331 HydrophobicContact CD2-CD1 4.09Å; F87-Y331 HydrophobicContact CD2-CE1 4.38Å; F87-Y331 HydrophobicContact CD2-CG 4.39Å; F87-Y331 HydrophobicContact CE2-CD1 4.31Å; F87-Y331 HydrophobicContact CE2-CE1 4.21Å; F87-L358 HydrophobicContact CE1-CB 4.35Å; F87-L358 HydrophobicContact CE1-CD2 4.05Å; F87-L358 HydrophobicContact CE2-CB 4.45Å; F87-L358 VanDerWaalsContact CE2-O 3.29Å; F87-L358 WeakPolarHBondContact CE2-O 3.41Å; F87-L358 HydrophobicContact CZ-CB 3.67Å; F87-L358 HydrophobicContact CZ-CD2 3.95Å; F87-L358 HydrophobicContact CZ-CG 4.37Å; F87-L358 VanDerWaalsContact CZ-O 3.25Å; F87-L358 WeakPolarHBondContact CZ-O 3.45Å; F87-N362 HydrophobicContact CD2-CB 3.42Å; F87-N362 VanDerWaalsContact CD2-CB 3.42Å; F87-N362 HydrophobicContact CE2-CB 3.1Å; F87-N362 HydrophobicContact CZ-CB 3.99Å; F87-N362 PolarHBondContact O-OD1 3.04Å
88	V	89.4	Confident	90.7	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.024	7%	0.066	C	C	.	.	S	Bend	trans	-86	87.1	165.8	-177.4	0	0	0	0	109.1	A84 N92 F283 N362 T365 L427	A84-V88 WeakPolarHBondContact O-CB 3.08Å; A84-V88 VanDerWaalsContact O-CG2 3.3Å; A84-V88 WeakPolarHBondContact O-CG2 3.32Å; A84-V88 PolarHBondContact O-N 3.15Å; V88-N92 WeakPolarHBondContact CA-OD1 3.23Å; V88-F283 HydrophobicContact CB-CZ 4.39Å; V88-F283 HydrophobicContact CG1-CZ 4Å; V88-F283 HydrophobicContact CG2-CZ 4.2Å; V88-N362 HydrophobicContact CG2-CB 4.41Å; V88-T365 HydrophobicContact CG1-CG2 3.7Å; V88-L427 HydrophobicContact CG1-CD2 4.27Å; V88-L427 WeakPolarHBondContact O-CD2 3.32Å
89	G	88.6	Confident	90.6	Very high	3 Å²	3	13.2 Å²	13.2	3%	0.031	7%	0.068	C	C	.	.	S	Bend	trans	-121.7	-158.9	-176	0	0	0	0	0	113.4	F87 G91 N92	F87-G89 PolarHBondContact O-N 2.94Å; G89-G91 PolarHBondContact O-N 3.09Å; G89-N92 PolarHBondContact N-OD1 3.26Å; G89-N92 WeakPolarHBondContact O-CB 3.5Å; G89-N92 PolarHBondContact O-N 3.02Å; G89-N92 PolarHBondContact O-OD1 3.3Å
90	L	88	Confident	90.6	Very high	3 Å²	3	13.2 Å²	13.2	2%	0.016	7%	0.068	C	C	.	.	H	α-helix	trans	-58.8	-37.6	179	-64.2	173.5	0	0	0	112	N92 V93 W94 Y167 I170 L171 L424 L427	L90-N92 PolarHBondContact O-N 3.03Å; L90-N92 VanDerWaalsContact O-N 3.15Å; L90-V93 PolarHBondContact O-N 2.86Å; L90-W94 HydrophobicContact CB-CD2 4.32Å; L90-W94 HydrophobicContact CB-CZ2 3.82Å; L90-W94 HydrophobicContact CD1-CH2 4.11Å; L90-W94 HydrophobicContact CD1-CZ2 3.93Å; L90-W94 HydrophobicContact CG-CZ2 4.47Å; L90-W94 PolarHBondContact O-N 3.05Å; L90-W94 PolarHBondContact O-NE1 2.87Å; L90-Y167 HydrophobicContact CD1-CE2 4.16Å; L90-I170 HydrophobicContact CD1-CB 4.26Å; L90-I170 HydrophobicContact CD1-CD1 4.39Å; L90-I170 HydrophobicContact CD1-CG2 3.5Å; L90-I170 VanDerWaalsContact CD1-CG2 3.5Å; L90-L171 HydrophobicContact CD1-CD1 4.43Å; L90-L424 HydrophobicContact CD2-CB 4.22Å; L90-L424 HydrophobicContact CD2-CD2 3.57Å; L90-L424 HydrophobicContact CD2-CG 4.49Å; L90-L427 HydrophobicContact CD2-CB 4.32Å
91	G	87.6	Confident	90.3	Very high	20 Å²	20	13.1 Å²	13.1	21%	0.206	6%	0.064	C	C	.	.	I	π-helix	trans	-53.5	-34.8	179	0	0	0	0	0	113.9	G89 R95 F96	G89-G91 PolarHBondContact O-N 3.09Å; G91-R95 WeakPolarHBondContact O-CB 3.07Å; G91-R95 PolarHBondContact O-N 3.07Å; G91-F96 PolarHBondContact O-N 3.14Å
92	N	92.1	Very high	90.1	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.011	7%	0.071	C	C	.	.	I	π-helix	trans	-68.2	-36.2	176.6	-58.5	77.5	0	0	0	112.1	F87 V88 G89 L90 P97 N362 S366 S369	F87-N92 PolarHBondContact O-OD1 2.87Å; F87-N92 VanDerWaalsContact O-OD1 3.12Å; V88-N92 WeakPolarHBondContact CA-OD1 3.23Å; G89-N92 PolarHBondContact N-OD1 3.26Å; G89-N92 WeakPolarHBondContact O-CB 3.5Å; G89-N92 PolarHBondContact O-N 3.02Å; G89-N92 PolarHBondContact O-OD1 3.3Å; L90-N92 PolarHBondContact O-N 3.03Å; L90-N92 VanDerWaalsContact O-N 3.15Å; N92-P97 WeakPolarHBondContact O-CD 3.3Å; N92-N362 PolarHBondContact ND2-O 2.69Å; N92-N362 PolarHBondContact ND2-OD1 3.33Å; N92-S366 PolarHBondContact ND2-OG 2.83Å; N92-S369 PolarHBondContact O-OG 2.86Å
93	V	87.8	Confident	90	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.024	7%	0.071	C	C	.	.	I	π-helix	trans	-86.5	-43.8	-173.2	-179.1	0	0	0	0	111.6	L90 P97 L286 I373 M423 L427	L90-V93 PolarHBondContact O-N 2.86Å; V93-P97 WeakPolarHBondContact O-CD 3.08Å; V93-P97 VanDerWaalsContact O-CG 3.3Å; V93-P97 WeakPolarHBondContact O-CG 3.47Å; V93-L286 HydrophobicContact CG2-CD2 4.08Å; V93-I373 HydrophobicContact CG1-CD1 3.88Å; V93-I373 HydrophobicContact CG1-CG1 4.12Å; V93-I373 WeakPolarHBondContact O-CG1 3.32Å; V93-M423 HydrophobicContact CG1-CE 4.47Å; V93-L427 HydrophobicContact CG2-CD1 3.61Å
94	W	82.5	Confident	89.9	Confident	24 Å²	24	15.5 Å²	15.5	9%	0.091	7%	0.074	C	C	.	.	I	π-helix	trans	-108.3	-21.8	-170.7	65.4	3.1	0	0	0	115.8	L90 Y98 I170 P396 L398 A399 F400	L90-W94 HydrophobicContact CB-CD2 4.32Å; L90-W94 HydrophobicContact CB-CZ2 3.82Å; L90-W94 HydrophobicContact CD1-CH2 4.11Å; L90-W94 HydrophobicContact CD1-CZ2 3.93Å; L90-W94 HydrophobicContact CG-CZ2 4.47Å; L90-W94 PolarHBondContact O-N 3.05Å; L90-W94 PolarHBondContact O-NE1 2.87Å; W94-Y98 WeakPolarHBondContact O-CB 3.17Å; W94-I170 HydrophobicContact CH2-CB 4.38Å; W94-I170 HydrophobicContact CH2-CD1 3.82Å; W94-I170 HydrophobicContact CH2-CG1 4.06Å; W94-I170 HydrophobicContact CH2-CG2 3.44Å; W94-I170 VanDerWaalsContact CH2-CG2 3.44Å; W94-I170 HydrophobicContact CZ2-CD1 3.81Å; W94-I170 HydrophobicContact CZ2-CG2 4.27Å; W94-I170 HydrophobicContact CZ3-CG2 4.13Å; W94-P396 HydrophobicContact CH2-CG 4.47Å; W94-L398 HydrophobicContact CB-CD2 3.93Å; W94-L398 VanDerWaalsContact O-CD2 3.23Å; W94-L398 WeakPolarHBondContact O-CD2 3.23Å; W94-A399 HydrophobicContact CE3-CB 3.41Å; W94-A399 VanDerWaalsContact CE3-CB 3.41Å; W94-A399 HydrophobicContact CZ3-CB 3.69Å; W94-F400 HydrophobicContact CH2-CE2 4.47Å; W94-F400 AromaticContact CZ3-CE2 3.97Å; W94-F400 HydrophobicContact CZ3-CE2 3.97Å
95	R	89.3	Confident	89.9	Confident	71 Å²	71	15.5 Å²	15.5	27%	0.268	7%	0.074	S	C	.	.	I	π-helix	trans	-103.1	-49.5	-168.7	-173.3	-178.1	177.7	148.2	1.1	109.7	G91 Y98 L99 Q326	G91-R95 WeakPolarHBondContact O-CB 3.07Å; G91-R95 PolarHBondContact O-N 3.07Å; R95-Y98 PolarHBondContact O-N 3.02Å; R95-L99 HydrophobicContact CG-CD1 4Å; R95-L99 HydrophobicContact CG-CG 4.29Å; R95-L99 WeakPolarHBondContact O-CB 3.32Å; R95-L99 WeakPolarHBondContact O-CG 3.44Å; R95-L99 PolarHBondContact O-N 2.95Å; R95-Q326 VanDerWaalsContact CD-OE1 3.27Å; R95-Q326 VanDerWaalsContact CG-OE1 3.3Å
96	F	93.5	Very high	90.1	Very high	1 Å²	1	16.2 Å²	16.2	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-56.8	-49.3	176.2	174.3	-91.1	0	0	0	112.6	G91 Y98 L99 C100 F108 L109 Y112 Y306 Q326 S366	G91-F96 PolarHBondContact O-N 3.14Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 2.7Å; F96-L99 PolarHBondContact O-N 3.34Å; F96-C100 WeakPolarHBondContact O-CB 3.48Å; F96-C100 PolarHBondContact O-N 3.2Å; F96-F108 HydrophobicContact CD2-CE1 4.47Å; F96-F108 HydrophobicContact CE2-CE1 4.27Å; F96-L109 HydrophobicContact CZ-CD2 3.93Å; F96-Y112 HydrophobicContact CD2-CD2 4.08Å; F96-Y112 AromaticContact CD2-CE2 3.61Å; F96-Y112 HydrophobicContact CD2-CE2 3.61Å; F96-Y112 HydrophobicContact CE2-CD1 4.27Å; F96-Y112 AromaticContact CE2-CD2 3.63Å; F96-Y112 HydrophobicContact CE2-CD2 3.63Å; F96-Y112 HydrophobicContact CE2-CE1 4.1Å; F96-Y112 AromaticContact CE2-CE2 3.41Å; F96-Y112 HydrophobicContact CE2-CE2 3.41Å; F96-Y112 VanDerWaalsContact CE2-CE2 3.41Å; F96-Y112 HydrophobicContact CE2-CG 4.06Å; F96-Y112 AromaticContact CE2-CZ 3.67Å; F96-Y306 WeakPolarHBondContact CE1-OH 3.29Å; F96-Q326 HydrophobicContact CD2-CG 4.17Å; F96-S366 VanDerWaalsContact CD1-C 3.49Å; F96-S366 WeakPolarHBondContact CD1-O 3.42Å; F96-S366 WeakPolarHBondContact CE1-O 3.38Å
97	P	92.3	Very high	90.5	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.6	-39.6	179.6	-26.8	40.2	0	0	0	112.2	N92 V93 C100 Y101 G370 F374	N92-P97 WeakPolarHBondContact O-CD 3.3Å; V93-P97 WeakPolarHBondContact O-CD 3.08Å; V93-P97 VanDerWaalsContact O-CG 3.3Å; V93-P97 WeakPolarHBondContact O-CG 3.47Å; P97-C100 PolarHBondContact O-N 3.02Å; P97-Y101 PolarHBondContact O-N 3.24Å; P97-G370 VanDerWaalsContact CG-CA 3.46Å; P97-F374 HydrophobicContact CB-CD2 3.88Å; P97-F374 HydrophobicContact CB-CE2 3.5Å; P97-F374 VanDerWaalsContact O-CE2 3.31Å; P97-F374 WeakPolarHBondContact O-CE2 3.4Å
98	Y	88.5	Confident	91	Very high	48 Å²	48	16 Å²	16	19%	0.188	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-48.6	175.1	172.8	-91.9	0	0	0	112	W94 R95 F96 C100 Y101 K102 E393 S394	W94-Y98 WeakPolarHBondContact O-CB 3.17Å; R95-Y98 PolarHBondContact O-N 3.02Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 2.7Å; Y98-C100 VanDerWaalsContact C-N 3.32Å; Y98-C100 PolarHBondContact O-N 3.18Å; Y98-Y101 HydrophobicContact CD2-CD1 4.42Å; Y98-Y101 AromaticContact CD2-CE1 3.35Å; Y98-Y101 HydrophobicContact CD2-CE1 3.35Å; Y98-Y101 AromaticContact CD2-CZ 3.82Å; Y98-Y101 AromaticContact CE2-CE1 3.8Å; Y98-Y101 HydrophobicContact CE2-CE1 3.8Å; Y98-Y101 AromaticContact CE2-CZ 3.76Å; Y98-Y101 WeakPolarHBondContact CE2-OH 3.21Å; Y98-Y101 AromaticContact CG-CE1 3.95Å; Y98-Y101 HydrophobicContact CG-CE1 3.95Å; Y98-Y101 WeakPolarHBondContact O-CD1 3.47Å; Y98-Y101 VanDerWaalsContact O-CE1 3.25Å; Y98-Y101 WeakPolarHBondContact O-CE1 3.34Å; Y98-K102 HydrophobicContact CE1-CD 3.74Å; Y98-K102 VanDerWaalsContact O-CB 3.27Å; Y98-K102 WeakPolarHBondContact O-CB 3.42Å; Y98-K102 PolarHBondContact O-N 3.08Å; Y98-K102 VanDerWaalsContact O-N 3.08Å; Y98-E393 WeakPolarHBondContact CD2-O 3.39Å; Y98-S394 WeakPolarHBondContact OH-CB 3.46Å
99	L	91.3	Very high	91.3	Very high	9 Å²	9	17.3 Å²	17.3	5%	0.047	9%	0.088	C	C	.	.	H	α-helix	trans	-65.9	-36.6	179.3	-69.5	179.4	0	0	0	112.1	R95 F96 N103 F108 D322 Q326	R95-L99 HydrophobicContact CG-CD1 4Å; R95-L99 HydrophobicContact CG-CG 4.29Å; R95-L99 WeakPolarHBondContact O-CB 3.32Å; R95-L99 WeakPolarHBondContact O-CG 3.44Å; R95-L99 PolarHBondContact O-N 2.95Å; F96-L99 PolarHBondContact O-N 3.34Å; L99-N103 WeakPolarHBondContact O-CB 3.44Å; L99-N103 PolarHBondContact O-N 2.96Å; L99-N103 PolarHBondContact O-ND2 3.19Å; L99-F108 HydrophobicContact CB-CE1 4.15Å; L99-F108 HydrophobicContact CB-CZ 3.96Å; L99-D322 HydrophobicContact CD2-CB 4.13Å; L99-Q326 HydrophobicContact CD1-CB 3.79Å; L99-Q326 HydrophobicContact CD1-CG 4.14Å
100	C	93.6	Very high	91.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.7	-54.7	177.5	-168.1	0	0	0	0	111	F96 P97 Y98 N103 G105 F108 Y306	F96-C100 WeakPolarHBondContact O-CB 3.48Å; F96-C100 PolarHBondContact O-N 3.2Å; P97-C100 PolarHBondContact O-N 3.02Å; Y98-C100 VanDerWaalsContact C-N 3.32Å; Y98-C100 PolarHBondContact O-N 3.18Å; C100-N103 PolarHBondContact O-N 3.5Å; C100-G105 WeakPolarHBondContact O-CA 3.22Å; C100-G105 PolarHBondContact O-N 2.92Å; C100-G105 PolarHBondContact SG-O 3.15Å; C100-G105 VanDerWaalsContact SG-O 3.36Å; C100-F108 HydrophobicContact CB-CD1 4.09Å; C100-Y306 HydrophobicContact CB-CD2 4.01Å; C100-Y306 HydrophobicContact CB-CE2 3.55Å; C100-Y306 WeakPolarHBondContact SG-CE2 3.43Å
101	Y	88.8	Confident	92	Very high	43 Å²	43	21.2 Å²	21.2	17%	0.169	11%	0.107	C	C	.	.	H	α-helix	trans	-67.4	-45.1	-179.4	91.9	-95.1	0	0	0	112	P97 Y98 N103 G104 G105 F305 F374 A392	P97-Y101 PolarHBondContact O-N 3.24Å; Y98-Y101 HydrophobicContact CD2-CD1 4.42Å; Y98-Y101 AromaticContact CD2-CE1 3.35Å; Y98-Y101 HydrophobicContact CD2-CE1 3.35Å; Y98-Y101 AromaticContact CD2-CZ 3.82Å; Y98-Y101 AromaticContact CE2-CE1 3.8Å; Y98-Y101 HydrophobicContact CE2-CE1 3.8Å; Y98-Y101 AromaticContact CE2-CZ 3.76Å; Y98-Y101 WeakPolarHBondContact CE2-OH 3.21Å; Y98-Y101 AromaticContact CG-CE1 3.95Å; Y98-Y101 HydrophobicContact CG-CE1 3.95Å; Y98-Y101 WeakPolarHBondContact O-CD1 3.47Å; Y98-Y101 VanDerWaalsContact O-CE1 3.25Å; Y98-Y101 WeakPolarHBondContact O-CE1 3.34Å; Y101-N103 PolarHBondContact O-N 2.85Å; Y101-N103 VanDerWaalsContact O-N 3.14Å; Y101-G104 PolarHBondContact O-N 3.48Å; Y101-G105 PolarHBondContact O-N 3.49Å; Y101-F305 HydrophobicContact CD2-CD1 4.21Å; Y101-F305 AromaticContact CD2-CE1 3.39Å; Y101-F305 HydrophobicContact CD2-CE1 3.39Å; Y101-F305 HydrophobicContact CD2-CZ 4.08Å; Y101-F305 AromaticContact CE2-CE1 3.91Å; Y101-F305 HydrophobicContact CE2-CE1 3.91Å; Y101-F305 HydrophobicContact CE2-CZ 4.41Å; Y101-F305 HydrophobicContact CG-CD1 4.34Å; Y101-F305 AromaticContact CG-CE1 3.92Å; Y101-F305 HydrophobicContact CG-CE1 3.92Å; Y101-F374 HydrophobicContact CD1-CE1 4.01Å; Y101-F374 HydrophobicContact CD1-CE2 4.27Å; Y101-F374 AromaticContact CD1-CZ 3.33Å; Y101-F374 HydrophobicContact CD1-CZ 3.33Å; Y101-F374 HydrophobicContact CE1-CZ 4.04Å; Y101-F374 HydrophobicContact CG-CE1 4.18Å; Y101-F374 AromaticContact CG-CZ 3.87Å; Y101-F374 HydrophobicContact CG-CZ 3.87Å; Y101-A392 HydrophobicContact CE1-CB 3.94Å; Y101-A392 HydrophobicContact CE2-CB 4.4Å; Y101-A392 PolarHBondContact OH-O 3.1Å
102	K	90	Very high	92.4	Very high	75 Å²	75	20.4 Å²	20.4	33%	0.326	10%	0.098	S	C	.	.	H	α-helix	trans	-57	-34.4	-177.7	178	-163.9	167.1	-152.7	0	111.7	Y98 R313 D322	Y98-K102 HydrophobicContact CE1-CD 3.74Å; Y98-K102 VanDerWaalsContact O-CB 3.27Å; Y98-K102 WeakPolarHBondContact O-CB 3.42Å; Y98-K102 PolarHBondContact O-N 3.08Å; Y98-K102 VanDerWaalsContact O-N 3.08Å; K102-R313 PolarHBondContact O-NE 2.98Å; K102-D322 IonicContact NZ-OD2 3.24Å; K102-D322 PolarHBondContact NZ-OD2 3.28Å
103	N	93.1	Very high	92.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	32	-172.3	-64.3	-34.3	0	0	0	113.3	L99 C100 Y101 F108 R313 V319 D322	L99-N103 WeakPolarHBondContact O-CB 3.44Å; L99-N103 PolarHBondContact O-N 2.96Å; L99-N103 PolarHBondContact O-ND2 3.19Å; C100-N103 PolarHBondContact O-N 3.5Å; Y101-N103 PolarHBondContact O-N 2.85Å; Y101-N103 VanDerWaalsContact O-N 3.14Å; N103-F108 HydrophobicContact CB-CB 4.25Å; N103-F108 HydrophobicContact CB-CD2 3.44Å; N103-F108 VanDerWaalsContact CB-CD2 3.44Å; N103-F108 HydrophobicContact CB-CE2 4.03Å; N103-F108 HydrophobicContact CB-CG 4.07Å; N103-R313 PolarHBondContact OD1-NH2 3.46Å; N103-V319 HydrophobicContact CB-CB 4.3Å; N103-V319 HydrophobicContact CB-CG1 3.97Å; N103-V319 HydrophobicContact CB-CG2 3.78Å; N103-D322 VanDerWaalsContact ND2-CB 3.3Å; N103-D322 WeakPolarHBondContact ND2-CB 3.49Å; N103-D322 PolarHBondContact ND2-OD2 2.92Å
104	G	92.2	Very high	93	Very high	6 Å²	6	28.1 Å²	28.1	6%	0.062	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	26.3	170.9	0	0	0	0	0	114.6	Y101 G106 A107 P309 D310	Y101-G104 PolarHBondContact O-N 3.48Å; G104-G106 PolarHBondContact O-N 3.08Å; G104-A107 VanDerWaalsContact O-CB 3.32Å; G104-A107 WeakPolarHBondContact O-CB 3.35Å; G104-A107 PolarHBondContact O-N 3.3Å; G104-A107 VanDerWaalsContact O-N 3.08Å; G104-P309 WeakPolarHBondContact O-CA 3.17Å; G104-D310 PolarHBondContact O-N 3.13Å
105	G	93.9	Very high	93.6	Very high	3 Å²	3	27 Å²	27	3%	0.031	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	56.3	-125.4	177.5	0	0	0	0	0	111.8	C100 Y101 A107 F108 Y306	C100-G105 WeakPolarHBondContact O-CA 3.22Å; C100-G105 PolarHBondContact O-N 2.92Å; C100-G105 PolarHBondContact SG-O 3.15Å; C100-G105 VanDerWaalsContact SG-O 3.36Å; Y101-G105 PolarHBondContact O-N 3.49Å; G105-A107 PolarHBondContact O-N 3.36Å; G105-A107 VanDerWaalsContact O-N 3.08Å; G105-F108 VanDerWaalsContact O-CB 3.25Å; G105-F108 WeakPolarHBondContact O-CB 3.48Å; G105-F108 PolarHBondContact O-N 3.35Å; G105-Y306 VanDerWaalsContact CA-O 3.26Å; G105-Y306 WeakPolarHBondContact CA-O 2.98Å
106	G	94.6	Very high	93.9	Very high	18 Å²	18	23.9 Å²	23.9	19%	0.186	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-59.2	-22.8	179.9	0	0	0	0	0	114.6	G104 F108 L109 L307	G104-G106 PolarHBondContact O-N 3.08Å; G106-F108 VanDerWaalsContact C-N 3.27Å; G106-F108 PolarHBondContact O-N 3.33Å; G106-L109 WeakPolarHBondContact O-CB 3.34Å; G106-L109 PolarHBondContact O-N 3.03Å; G106-L307 WeakPolarHBondContact CA-O 3.46Å; G106-L307 PolarHBondContact N-O 2.98Å
107	A	96.6	Very high	94	Very high	3 Å²	3	29 Å²	29	3%	0.025	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-65.1	-31.8	176.1	0	0	0	0	0	112	G104 G105 L109 I110 P111 P309 D310 L314	G104-A107 VanDerWaalsContact O-CB 3.32Å; G104-A107 WeakPolarHBondContact O-CB 3.35Å; G104-A107 PolarHBondContact O-N 3.3Å; G104-A107 VanDerWaalsContact O-N 3.08Å; G105-A107 PolarHBondContact O-N 3.36Å; G105-A107 VanDerWaalsContact O-N 3.08Å; A107-L109 PolarHBondContact O-N 3.38Å; A107-L109 VanDerWaalsContact O-N 3.13Å; A107-I110 WeakPolarHBondContact O-CB 3.37Å; A107-I110 PolarHBondContact O-N 2.85Å; A107-I110 VanDerWaalsContact O-N 3.08Å; A107-P111 WeakPolarHBondContact O-CD 3.17Å; A107-P309 HydrophobicContact CB-CB 4.34Å; A107-D310 WeakPolarHBondContact CB-O 3.3Å; A107-L314 HydrophobicContact CB-CD1 4.47Å; A107-L314 HydrophobicContact CB-CD2 4.46Å; A107-L314 HydrophobicContact CB-CG 4.35Å
108	F	96.9	Very high	94.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-59	-24.7	176.7	180	-110.7	0	0	0	113.3	F96 L99 C100 N103 G105 G106 I110 P111 Y112 V319 D322 A323	F96-F108 HydrophobicContact CD2-CE1 4.47Å; F96-F108 HydrophobicContact CE2-CE1 4.27Å; L99-F108 HydrophobicContact CB-CE1 4.15Å; L99-F108 HydrophobicContact CB-CZ 3.96Å; C100-F108 HydrophobicContact CB-CD1 4.09Å; N103-F108 HydrophobicContact CB-CB 4.25Å; N103-F108 HydrophobicContact CB-CD2 3.44Å; N103-F108 VanDerWaalsContact CB-CD2 3.44Å; N103-F108 HydrophobicContact CB-CE2 4.03Å; N103-F108 HydrophobicContact CB-CG 4.07Å; G105-F108 VanDerWaalsContact O-CB 3.25Å; G105-F108 WeakPolarHBondContact O-CB 3.48Å; G105-F108 PolarHBondContact O-N 3.35Å; G106-F108 VanDerWaalsContact C-N 3.27Å; G106-F108 PolarHBondContact O-N 3.33Å; F108-I110 PolarHBondContact O-N 3.4Å; F108-P111 HydrophobicContact CD2-CG 4.4Å; F108-P111 WeakPolarHBondContact O-CD 3.48Å; F108-P111 VanDerWaalsContact O-CG 3.27Å; F108-P111 WeakPolarHBondContact O-CG 3.38Å; F108-Y112 HydrophobicContact CE1-CD2 4.23Å; F108-Y112 VanDerWaalsContact O-CB 3.31Å; F108-Y112 WeakPolarHBondContact O-CB 3.27Å; F108-Y112 PolarHBondContact O-N 3.2Å; F108-Y112 VanDerWaalsContact O-N 3.09Å; F108-V319 HydrophobicContact CD2-CG1 4.04Å; F108-D322 HydrophobicContact CE2-CB 4.42Å; F108-A323 HydrophobicContact CE2-CB 3.7Å; F108-A323 HydrophobicContact CZ-CB 3.98Å
109	L	96.3	Very high	94.4	Very high	30 Å²	30	27.1 Å²	27.1	16%	0.157	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-25.6	178.1	-61	178.8	0	0	0	112.3	F96 G106 A107 F113 F367	F96-L109 HydrophobicContact CZ-CD2 3.93Å; G106-L109 WeakPolarHBondContact O-CB 3.34Å; G106-L109 PolarHBondContact O-N 3.03Å; A107-L109 PolarHBondContact O-N 3.38Å; A107-L109 VanDerWaalsContact O-N 3.13Å; L109-F113 HydrophobicContact CB-CD2 4.13Å; L109-F113 HydrophobicContact CB-CE2 3.99Å; L109-F113 WeakPolarHBondContact O-CB 3.12Å; L109-F113 WeakPolarHBondContact O-CD2 2.93Å; L109-F113 WeakPolarHBondContact O-CG 3.25Å; L109-F113 PolarHBondContact O-N 3.26Å; L109-F367 HydrophobicContact CD1-CE2 4.05Å
110	I	96.5	Very high	94.6	Very high	89 Å²	89	26.7 Å²	26.7	46%	0.456	13%	0.134	S	C	.	.	H	α-helix	trans	-62.7	-62.3	177.3	-63.8	166.5	0	0	0	111.1	A107 F108 Y112 F113 I114 L314	A107-I110 WeakPolarHBondContact O-CB 3.37Å; A107-I110 PolarHBondContact O-N 2.85Å; A107-I110 VanDerWaalsContact O-N 3.08Å; F108-I110 PolarHBondContact O-N 3.4Å; I110-Y112 VanDerWaalsContact C-N 3.26Å; I110-Y112 PolarHBondContact O-N 3.16Å; I110-F113 PolarHBondContact O-N 3.03Å; I110-I114 HydrophobicContact CG2-CD1 4.04Å; I110-I114 WeakPolarHBondContact O-CG1 3.47Å; I110-I114 PolarHBondContact O-N 3.48Å; I110-I114 VanDerWaalsContact O-N 3.07Å; I110-L314 HydrophobicContact CD1-CD1 3.96Å
111	P	95.4	Very high	94.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-36.7	176.3	23.8	-33	0	0	0	111.4	A107 F108 F113 I114 F115 L314 V319 W320 A323	A107-P111 WeakPolarHBondContact O-CD 3.17Å; F108-P111 HydrophobicContact CD2-CG 4.4Å; F108-P111 WeakPolarHBondContact O-CD 3.48Å; F108-P111 VanDerWaalsContact O-CG 3.27Å; F108-P111 WeakPolarHBondContact O-CG 3.38Å; P111-F113 PolarHBondContact O-N 3.09Å; P111-I114 PolarHBondContact O-N 3.05Å; P111-F115 VanDerWaalsContact O-CD2 3.3Å; P111-F115 WeakPolarHBondContact O-CD2 3.46Å; P111-F115 PolarHBondContact O-N 3.5Å; P111-L314 HydrophobicContact CG-CD2 4.02Å; P111-V319 HydrophobicContact CG-CG1 3.89Å; P111-W320 HydrophobicContact CB-CD2 3.87Å; P111-W320 HydrophobicContact CB-CE3 3.62Å; P111-W320 HydrophobicContact CB-CH2 4.22Å; P111-W320 HydrophobicContact CB-CZ2 4.44Å; P111-W320 HydrophobicContact CB-CZ3 3.8Å; P111-A323 HydrophobicContact CB-CB 3.84Å; P111-A323 HydrophobicContact CG-CB 4.26Å
112	Y	96.2	Very high	95.1	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.012	13%	0.127	C	C	.	.	H	α-helix	trans	-56	-48.4	175.7	-177.9	-93.6	0	0	0	112.6	F96 F108 I110 F115 L116 Q326 I327 S363	F96-Y112 HydrophobicContact CD2-CD2 4.08Å; F96-Y112 AromaticContact CD2-CE2 3.61Å; F96-Y112 HydrophobicContact CD2-CE2 3.61Å; F96-Y112 HydrophobicContact CE2-CD1 4.27Å; F96-Y112 AromaticContact CE2-CD2 3.63Å; F96-Y112 HydrophobicContact CE2-CD2 3.63Å; F96-Y112 HydrophobicContact CE2-CE1 4.1Å; F96-Y112 AromaticContact CE2-CE2 3.41Å; F96-Y112 HydrophobicContact CE2-CE2 3.41Å; F96-Y112 VanDerWaalsContact CE2-CE2 3.41Å; F96-Y112 HydrophobicContact CE2-CG 4.06Å; F96-Y112 AromaticContact CE2-CZ 3.67Å; F108-Y112 HydrophobicContact CE1-CD2 4.23Å; F108-Y112 VanDerWaalsContact O-CB 3.31Å; F108-Y112 WeakPolarHBondContact O-CB 3.27Å; F108-Y112 PolarHBondContact O-N 3.2Å; F108-Y112 VanDerWaalsContact O-N 3.09Å; I110-Y112 VanDerWaalsContact C-N 3.26Å; I110-Y112 PolarHBondContact O-N 3.16Å; Y112-F115 PolarHBondContact O-N 2.85Å; Y112-L116 WeakPolarHBondContact O-CB 3.43Å; Y112-L116 PolarHBondContact O-N 3.5Å; Y112-Q326 HydrophobicContact CE2-CG 4.15Å; Y112-I327 HydrophobicContact CD1-CD1 4.39Å; Y112-I327 HydrophobicContact CD2-CD1 3.75Å; Y112-I327 HydrophobicContact CD2-CG1 4.06Å; Y112-I327 HydrophobicContact CE1-CD1 3.99Å; Y112-I327 HydrophobicContact CE2-CD1 3.29Å; Y112-I327 HydrophobicContact CE2-CG1 3.97Å; Y112-I327 HydrophobicContact CG-CD1 4.28Å; Y112-I327 VanDerWaalsContact CZ-CD1 3.42Å; Y112-S363 WeakPolarHBondContact OH-CB 3.44Å; Y112-S363 PolarHBondContact OH-OG 3.3Å
113	F	96.2	Very high	95.4	Very high	95 Å²	95	21.3 Å²	21.3	42%	0.417	11%	0.111	S	C	.	.	H	α-helix	trans	-70.4	-32.7	178.6	-75.7	-55.5	0	0	0	113	L109 I110 P111 L116 F117	L109-F113 HydrophobicContact CB-CD2 4.13Å; L109-F113 HydrophobicContact CB-CE2 3.99Å; L109-F113 WeakPolarHBondContact O-CB 3.12Å; L109-F113 WeakPolarHBondContact O-CD2 2.93Å; L109-F113 WeakPolarHBondContact O-CG 3.25Å; L109-F113 PolarHBondContact O-N 3.26Å; I110-F113 PolarHBondContact O-N 3.03Å; P111-F113 PolarHBondContact O-N 3.09Å; F113-L116 HydrophobicContact CD1-CD2 3.73Å; F113-L116 HydrophobicContact CE1-CD2 4.01Å; F113-L116 PolarHBondContact O-N 3.28Å; F113-F117 HydrophobicContact CB-CD2 4.42Å; F113-F117 AromaticContact CD1-CE2 3.92Å; F113-F117 HydrophobicContact CD1-CE2 3.92Å; F113-F117 WeakPolarHBondContact O-CD2 3.18Å; F113-F117 PolarHBondContact O-N 3.14Å
114	I	95.5	Very high	95.6	Very high	72 Å²	72	21.3 Å²	21.3	37%	0.369	11%	0.111	S	C	.	.	H	α-helix	trans	-61.3	-47.5	172.8	-69.5	166.9	0	0	0	110.2	I110 P111 G118 W320	I110-I114 HydrophobicContact CG2-CD1 4.04Å; I110-I114 WeakPolarHBondContact O-CG1 3.47Å; I110-I114 PolarHBondContact O-N 3.48Å; I110-I114 VanDerWaalsContact O-N 3.07Å; P111-I114 PolarHBondContact O-N 3.05Å; I114-G118 VanDerWaalsContact O-CA 3.24Å; I114-G118 WeakPolarHBondContact O-CA 3.47Å; I114-G118 PolarHBondContact O-N 3.08Å; I114-W320 HydrophobicContact CD1-CH2 3.69Å; I114-W320 HydrophobicContact CD1-CZ3 3.7Å; I114-W320 HydrophobicContact CG2-CZ3 4.41Å
115	F	95.1	Very high	95.8	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-67.7	-36.9	175.5	-83.3	-82.6	0	0	0	112.4	P111 Y112 S119 G120 W320 A323 G324 I327 L544 C548	P111-F115 VanDerWaalsContact O-CD2 3.3Å; P111-F115 WeakPolarHBondContact O-CD2 3.46Å; P111-F115 PolarHBondContact O-N 3.5Å; Y112-F115 PolarHBondContact O-N 2.85Å; F115-S119 CarbonylContact O-C 3.51Å; F115-S119 WeakPolarHBondContact O-CA 3.42Å; F115-S119 WeakPolarHBondContact O-CB 3.31Å; F115-S119 PolarHBondContact O-N 3.4Å; F115-G120 PolarHBondContact O-N 2.89Å; F115-W320 HydrophobicContact CE2-CB 4.45Å; F115-W320 HydrophobicContact CE2-CE3 4.07Å; F115-W320 VanDerWaalsContact CE2-O 3.31Å; F115-W320 WeakPolarHBondContact CE2-O 3.4Å; F115-A323 HydrophobicContact CD2-CB 4.02Å; F115-A323 HydrophobicContact CE2-CB 4.47Å; F115-G324 VanDerWaalsContact CG-CA 3.45Å; F115-I327 HydrophobicContact CB-CB 4.26Å; F115-I327 HydrophobicContact CB-CG1 3.84Å; F115-L544 HydrophobicContact CD1-CB 4.48Å; F115-L544 HydrophobicContact CD1-CD1 4.1Å; F115-L544 HydrophobicContact CE1-CB 3.81Å; F115-L544 HydrophobicContact CE1-CD1 4.13Å; F115-L544 HydrophobicContact CE1-CD2 4.21Å; F115-L544 HydrophobicContact CE1-CG 4.28Å; F115-L544 HydrophobicContact CZ-CB 4.35Å; F115-L544 HydrophobicContact CZ-CD2 4.02Å; F115-C548 WeakPolarHBondContact CZ-SG 3.5Å
116	L	95.8	Very high	96	Very high	6 Å²	6	21 Å²	21	3%	0.031	11%	0.107	C	C	.	.	I	π-helix	trans	-58.4	-57	178.3	176.5	61.5	0	0	0	111.8	Y112 F113 G120 L121 I327 Y331	Y112-L116 WeakPolarHBondContact O-CB 3.43Å; Y112-L116 PolarHBondContact O-N 3.5Å; F113-L116 HydrophobicContact CD1-CD2 3.73Å; F113-L116 HydrophobicContact CE1-CD2 4.01Å; F113-L116 PolarHBondContact O-N 3.28Å; L116-G120 PolarHBondContact O-N 3.02Å; L116-L121 HydrophobicContact CD1-CD1 4.12Å; L116-L121 HydrophobicContact CD1-CG 3.83Å; L116-L121 HydrophobicContact CG-CD1 4.1Å; L116-L121 HydrophobicContact CG-CG 4.32Å; L116-L121 WeakPolarHBondContact O-CB 3.16Å; L116-L121 PolarHBondContact O-N 3.3Å; L116-I327 HydrophobicContact CB-CD1 3.93Å; L116-I327 HydrophobicContact CD1-CD1 4.16Å; L116-Y331 HydrophobicContact CD1-CE2 3.76Å; L116-Y331 WeakPolarHBondContact CD1-OH 3.26Å
117	F	95.6	Very high	96.1	Very high	109 Å²	109	20.2 Å²	20.2	48%	0.478	10%	0.099	S	C	.	.	I	π-helix	trans	-82.6	-31.1	-176.4	-67.2	-68.9	0	0	0	112.7	F113 L121 P122 W532	F113-F117 HydrophobicContact CB-CD2 4.42Å; F113-F117 AromaticContact CD1-CE2 3.92Å; F113-F117 HydrophobicContact CD1-CE2 3.92Å; F113-F117 WeakPolarHBondContact O-CD2 3.18Å; F113-F117 PolarHBondContact O-N 3.14Å; F117-L121 HydrophobicContact CD1-CD1 3.67Å; F117-L121 HydrophobicContact CE1-CD1 3.77Å; F117-P122 WeakPolarHBondContact O-CD 3.48Å; F117-P122 WeakPolarHBondContact O-CG 3.14Å; F117-W532 WeakPolarHBondContact O-CZ3 3.1Å
118	G	94.5	Very high	96.1	Very high	8 Å²	8	20.1 Å²	20.1	8%	0.082	10%	0.098	C	C	.	.	I	π-helix	trans	-77.7	-30.5	-179.7	0	0	0	0	0	113.7	I114 S536 T541	I114-G118 VanDerWaalsContact O-CA 3.24Å; I114-G118 WeakPolarHBondContact O-CA 3.47Å; I114-G118 PolarHBondContact O-N 3.08Å; G118-S536 WeakPolarHBondContact O-CB 3.47Å; G118-T541 PolarHBondContact O-OG1 2.93Å; G118-T541 VanDerWaalsContact O-OG1 3.11Å
119	S	94.3	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-137.7	-55.5	-172.8	-171.8	0	0	0	0	115.1	F115 P122 V123 F328 T541	F115-S119 CarbonylContact O-C 3.51Å; F115-S119 WeakPolarHBondContact O-CA 3.42Å; F115-S119 WeakPolarHBondContact O-CB 3.31Å; F115-S119 PolarHBondContact O-N 3.4Å; S119-P122 WeakPolarHBondContact O-CD 3.26Å; S119-V123 WeakPolarHBondContact O-CB 3.23Å; S119-V123 VanDerWaalsContact O-CG2 3.28Å; S119-V123 WeakPolarHBondContact O-CG2 3.44Å; S119-V123 PolarHBondContact O-N 3.39Å; S119-F328 WeakPolarHBondContact OG-CE1 3.36Å; S119-F328 WeakPolarHBondContact OG-CZ 3.45Å; S119-T541 WeakPolarHBondContact CA-OG1 3.42Å; S119-T541 VanDerWaalsContact OG-CG2 3.31Å; S119-T541 WeakPolarHBondContact OG-CG2 3.38Å
120	G	95	Very high	96	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	I	π-helix	trans	-58.1	-59.2	-171.6	0	0	0	0	0	113.8	F115 L116 V123 F124 I327	F115-G120 PolarHBondContact O-N 2.89Å; L116-G120 PolarHBondContact O-N 3.02Å; G120-V123 PolarHBondContact O-N 2.86Å; G120-F124 WeakPolarHBondContact O-CB 3.49Å; G120-F124 PolarHBondContact O-N 2.86Å; G120-I327 VanDerWaalsContact CA-CG2 3.42Å
121	L	96.1	Very high	96	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-58.2	-46.2	176.7	-82.9	173.2	0	0	0	112.5	L116 F117 F125 Y331 M356	L116-L121 HydrophobicContact CD1-CD1 4.12Å; L116-L121 HydrophobicContact CD1-CG 3.83Å; L116-L121 HydrophobicContact CG-CD1 4.1Å; L116-L121 HydrophobicContact CG-CG 4.32Å; L116-L121 WeakPolarHBondContact O-CB 3.16Å; L116-L121 PolarHBondContact O-N 3.3Å; F117-L121 HydrophobicContact CD1-CD1 3.67Å; F117-L121 HydrophobicContact CE1-CD1 3.77Å; L121-F125 WeakPolarHBondContact O-CB 3.36Å; L121-F125 PolarHBondContact O-N 2.96Å; L121-Y331 HydrophobicContact CD2-CE1 4.2Å; L121-M356 HydrophobicContact CB-CE 4.31Å; L121-M356 HydrophobicContact CD2-CE 3.92Å; L121-M356 HydrophobicContact CD2-SD 4.48Å
122	P	96.8	Very high	96	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-56.3	-51.7	173.6	-27.4	31.4	0	0	0	115.3	F117 S119 F125 L126 W532 M533 W537	F117-P122 WeakPolarHBondContact O-CD 3.48Å; F117-P122 WeakPolarHBondContact O-CG 3.14Å; S119-P122 WeakPolarHBondContact O-CD 3.26Å; P122-F125 PolarHBondContact O-N 3.43Å; P122-L126 VanDerWaalsContact O-CB 3.31Å; P122-L126 WeakPolarHBondContact O-CB 3.38Å; P122-L126 PolarHBondContact O-N 2.87Å; P122-W532 HydrophobicContact CG-CZ3 3.82Å; P122-M533 WeakPolarHBondContact CA-SD 3.48Å; P122-M533 HydrophobicContact CB-SD 3.67Å; P122-M533 HydrophobicContact CG-SD 3.86Å; P122-W537 PolarHBondContact O-NE1 3.19Å
123	V	96.9	Very high	95.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-69.1	-38.6	-177.1	176.8	0	0	0	0	110.6	S119 G120 F125 L126 E127 I333 T541	S119-V123 WeakPolarHBondContact O-CB 3.23Å; S119-V123 VanDerWaalsContact O-CG2 3.28Å; S119-V123 WeakPolarHBondContact O-CG2 3.44Å; S119-V123 PolarHBondContact O-N 3.39Å; G120-V123 PolarHBondContact O-N 2.86Å; V123-F125 PolarHBondContact O-N 3.34Å; V123-L126 WeakPolarHBondContact O-CB 3.31Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.15Å; V123-E127 PolarHBondContact O-N 3.19Å; V123-I333 HydrophobicContact CB-CD1 3.87Å; V123-I333 HydrophobicContact CG1-CB 4.09Å; V123-I333 HydrophobicContact CG1-CD1 3.83Å; V123-I333 HydrophobicContact CG1-CG1 4.44Å; V123-T541 HydrophobicContact CG2-CG2 3.79Å
124	F	97.1	Very high	95.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.7	-48.5	173.4	170.8	-128.2	0	0	0	112.2	V83 G120 L126 I128 Y331 I333 M338 C355 L358	V83-F124 HydrophobicContact CG1-CE2 3.89Å; V83-F124 HydrophobicContact CG1-CZ 3.71Å; G120-F124 WeakPolarHBondContact O-CB 3.49Å; G120-F124 PolarHBondContact O-N 2.86Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.21Å; F124-I128 HydrophobicContact CD2-CG1 4.14Å; F124-I128 HydrophobicContact CE2-CD1 4.14Å; F124-I128 HydrophobicContact CE2-CG1 3.78Å; F124-I128 HydrophobicContact CZ-CG1 4.36Å; F124-I128 WeakPolarHBondContact O-CG1 3.34Å; F124-I128 PolarHBondContact O-N 2.9Å; F124-Y331 HydrophobicContact CB-CD1 3.87Å; F124-Y331 AromaticContact CD1-CD1 3.92Å; F124-Y331 HydrophobicContact CD1-CD1 3.92Å; F124-Y331 HydrophobicContact CD1-CE1 4.03Å; F124-Y331 HydrophobicContact CD2-CD1 4.41Å; F124-Y331 AromaticContact CG-CD1 3.82Å; F124-Y331 HydrophobicContact CG-CD1 3.82Å; F124-Y331 HydrophobicContact CG-CE1 4.37Å; F124-I333 HydrophobicContact CB-CG2 3.81Å; F124-I333 HydrophobicContact CD2-CG2 4.38Å; F124-M338 HydrophobicContact CD2-CG 4.11Å; F124-M338 HydrophobicContact CD2-SD 4.31Å; F124-M338 HydrophobicContact CE2-CG 4.19Å; F124-M338 HydrophobicContact CE2-SD 3.81Å; F124-C355 HydrophobicContact CD1-CB 4.04Å; F124-C355 HydrophobicContact CE1-CB 3.7Å; F124-C355 WeakPolarHBondContact CE1-O 3.37Å; F124-C355 HydrophobicContact CZ-CB 4.44Å; F124-L358 HydrophobicContact CE1-CB 4.13Å; F124-L358 HydrophobicContact CZ-CB 4.3Å; F124-L358 HydrophobicContact CZ-CD1 4.31Å
125	F	97.4	Very high	95.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.4	-38.8	175.8	174.6	-123.6	0	0	0	111.8	L121 P122 V123 I128 I129 Y352 C355 I521 P529 M533 W537	L121-F125 WeakPolarHBondContact O-CB 3.36Å; L121-F125 PolarHBondContact O-N 2.96Å; P122-F125 PolarHBondContact O-N 3.43Å; V123-F125 PolarHBondContact O-N 3.34Å; F125-I128 PolarHBondContact O-N 2.97Å; F125-I129 HydrophobicContact CD2-CB 4.32Å; F125-I129 HydrophobicContact CE2-CB 3.87Å; F125-I129 HydrophobicContact CE2-CD1 4.23Å; F125-I129 HydrophobicContact CE2-CG1 3.94Å; F125-I129 HydrophobicContact CE2-CG2 4.47Å; F125-I129 HydrophobicContact CZ-CB 4.11Å; F125-I129 HydrophobicContact CZ-CD1 4.47Å; F125-I129 HydrophobicContact CZ-CG1 3.91Å; F125-I129 HydrophobicContact CZ-CG2 4.35Å; F125-I129 VanDerWaalsContact O-CB 3.29Å; F125-I129 WeakPolarHBondContact O-CB 3.43Å; F125-I129 VanDerWaalsContact O-CG2 3.26Å; F125-I129 WeakPolarHBondContact O-CG2 3.48Å; F125-I129 PolarHBondContact O-N 3.11Å; F125-Y352 HydrophobicContact CD1-CD2 4.1Å; F125-Y352 HydrophobicContact CD2-CD2 4.38Å; F125-Y352 AromaticContact CE1-CD2 3.82Å; F125-Y352 HydrophobicContact CE1-CD2 3.82Å; F125-Y352 VanDerWaalsContact CE2-CA 3.49Å; F125-Y352 HydrophobicContact CE2-CD2 4.12Å; F125-Y352 HydrophobicContact CE2-CG 4.45Å; F125-Y352 HydrophobicContact CG-CD2 4.39Å; F125-Y352 AromaticContact CZ-CD2 3.83Å; F125-Y352 HydrophobicContact CZ-CD2 3.83Å; F125-Y352 HydrophobicContact CZ-CG 4.34Å; F125-C355 HydrophobicContact CB-CB 4.27Å; F125-C355 HydrophobicContact CD2-CB 4.17Å; F125-I521 HydrophobicContact CE1-CD1 3.95Å; F125-I521 HydrophobicContact CZ-CD1 4.09Å; F125-I521 HydrophobicContact CZ-CG2 4.3Å; F125-P529 HydrophobicContact CE1-CG 4.01Å; F125-P529 HydrophobicContact CZ-CG 4.21Å; F125-M533 HydrophobicContact CB-CE 4.42Å; F125-M533 HydrophobicContact CD1-CE 3.88Å; F125-M533 HydrophobicContact CD1-CG 3.96Å; F125-M533 HydrophobicContact CD1-SD 4.17Å; F125-M533 HydrophobicContact CE1-CG 4.4Å; F125-M533 HydrophobicContact CG-CE 4.43Å; F125-W537 HydrophobicContact CD1-CH2 4Å; F125-W537 AromaticContact CD1-CZ2 3.68Å; F125-W537 HydrophobicContact CD1-CZ2 3.68Å; F125-W537 AromaticContact CE1-CH2 3.95Å; F125-W537 HydrophobicContact CE1-CH2 3.95Å; F125-W537 HydrophobicContact CE1-CZ2 4.13Å
126	L	97	Very high	95.2	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-57.9	-50.1	178.1	-179.8	63.6	0	0	0	112.3	P122 V123 F124 I129 I130 I508 L517 W537	P122-L126 VanDerWaalsContact O-CB 3.31Å; P122-L126 WeakPolarHBondContact O-CB 3.38Å; P122-L126 PolarHBondContact O-N 2.87Å; V123-L126 WeakPolarHBondContact O-CB 3.31Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.15Å; F124-L126 VanDerWaalsContact C-N 3.32Å; F124-L126 PolarHBondContact O-N 3.21Å; L126-I129 WeakPolarHBondContact O-CG2 3.49Å; L126-I129 PolarHBondContact O-N 2.93Å; L126-I130 HydrophobicContact CD1-CD1 3.58Å; L126-I130 HydrophobicContact CD1-CG1 4.18Å; L126-I130 HydrophobicContact CG-CD1 3.8Å; L126-I130 WeakPolarHBondContact O-CB 3.44Å; L126-I130 VanDerWaalsContact O-CG1 3.3Å; L126-I130 WeakPolarHBondContact O-CG1 3.44Å; L126-I130 PolarHBondContact O-N 3Å; L126-I508 HydrophobicContact CD1-CB 4.36Å; L126-I508 HydrophobicContact CD1-CG1 4.18Å; L126-I508 HydrophobicContact CD1-CG2 3.87Å; L126-I508 HydrophobicContact CD2-CG1 4.47Å; L126-L517 HydrophobicContact CD1-CD2 3.52Å; L126-W537 HydrophobicContact CB-CZ2 4.03Å; L126-W537 HydrophobicContact CD1-CD2 4.37Å; L126-W537 HydrophobicContact CD1-CH2 4.46Å; L126-W537 HydrophobicContact CD1-CZ2 4.13Å
127	E	96.8	Very high	95	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.014	6%	0.062	C	C	.	.	H	α-helix	trans	-62.2	-48.6	179.4	-75.9	-168	132.2	0	0	111.5	V123 I129 I130 G131 I333 C334 M338 T339	V123-E127 PolarHBondContact O-N 3.19Å; E127-I129 VanDerWaalsContact C-N 3.32Å; E127-I129 PolarHBondContact O-N 3.4Å; E127-I130 PolarHBondContact O-N 3.25Å; E127-G131 PolarHBondContact O-N 2.91Å; E127-I333 WeakPolarHBondContact OE2-CA 3.2Å; E127-C334 VanDerWaalsContact CD-N 3.3Å; E127-C334 WeakPolarHBondContact OE1-CA 3.37Å; E127-C334 PolarHBondContact OE1-N 3.17Å; E127-C334 PolarHBondContact OE2-N 3.3Å; E127-M338 HydrophobicContact CB-CB 3.96Å; E127-M338 WeakPolarHBondContact OE2-CB 3.38Å; E127-T339 WeakPolarHBondContact CB-OG1 3.26Å; E127-T339 WeakPolarHBondContact O-CA 3.31Å; E127-T339 PolarHBondContact O-OG1 3.27Å
128	I	97.1	Very high	94.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.5	-44.5	179.5	-65.9	-76.4	0	0	0	110.9	F79 F124 F125 G131 Q132 M338	F79-I128 HydrophobicContact CE2-CD1 4.17Å; F79-I128 HydrophobicContact CZ-CD1 4.11Å; F79-I128 HydrophobicContact CZ-CG2 4.07Å; F124-I128 HydrophobicContact CD2-CG1 4.14Å; F124-I128 HydrophobicContact CE2-CD1 4.14Å; F124-I128 HydrophobicContact CE2-CG1 3.78Å; F124-I128 HydrophobicContact CZ-CG1 4.36Å; F124-I128 WeakPolarHBondContact O-CG1 3.34Å; F124-I128 PolarHBondContact O-N 2.9Å; F125-I128 PolarHBondContact O-N 2.97Å; I128-G131 PolarHBondContact O-N 3.24Å; I128-Q132 WeakPolarHBondContact O-CB 3.5Å; I128-Q132 PolarHBondContact O-N 3.21Å; I128-M338 HydrophobicContact CD1-CB 3.94Å; I128-M338 VanDerWaalsContact CD1-O 3.3Å; I128-M338 WeakPolarHBondContact CD1-O 3.16Å; I128-M338 HydrophobicContact CD1-SD 4.33Å; I128-M338 HydrophobicContact CG1-CB 4.2Å
129	I	96.3	Very high	94.7	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-75.6	-35.1	-174	-155.6	48.9	0	0	0	112.2	F125 L126 E127 Q132 Y133 I521 M524	F125-I129 HydrophobicContact CD2-CB 4.32Å; F125-I129 HydrophobicContact CE2-CB 3.87Å; F125-I129 HydrophobicContact CE2-CD1 4.23Å; F125-I129 HydrophobicContact CE2-CG1 3.94Å; F125-I129 HydrophobicContact CE2-CG2 4.47Å; F125-I129 HydrophobicContact CZ-CB 4.11Å; F125-I129 HydrophobicContact CZ-CD1 4.47Å; F125-I129 HydrophobicContact CZ-CG1 3.91Å; F125-I129 HydrophobicContact CZ-CG2 4.35Å; F125-I129 VanDerWaalsContact O-CB 3.29Å; F125-I129 WeakPolarHBondContact O-CB 3.43Å; F125-I129 VanDerWaalsContact O-CG2 3.26Å; F125-I129 WeakPolarHBondContact O-CG2 3.48Å; F125-I129 PolarHBondContact O-N 3.11Å; L126-I129 WeakPolarHBondContact O-CG2 3.49Å; L126-I129 PolarHBondContact O-N 2.93Å; E127-I129 VanDerWaalsContact C-N 3.32Å; E127-I129 PolarHBondContact O-N 3.4Å; I129-Q132 PolarHBondContact O-N 3.39Å; I129-Y133 VanDerWaalsContact O-CB 3.22Å; I129-Y133 WeakPolarHBondContact O-CB 3.41Å; I129-Y133 PolarHBondContact O-N 3.16Å; I129-I521 HydrophobicContact CG1-CD1 4.34Å; I129-I521 HydrophobicContact CG1-CG1 3.76Å; I129-I521 HydrophobicContact CG2-CD1 4.42Å; I129-M524 HydrophobicContact CD1-CE 3.37Å; I129-M524 HydrophobicContact CD1-SD 3.89Å; I129-M524 HydrophobicContact CG1-CE 3.53Å
130	I	95.4	Very high	94.6	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.021	4%	0.04	C	C	.	.	H	α-helix	trans	-63.8	-44.1	171.1	-76.4	170.3	0	0	0	110.5	L126 E127 Y133 T134 C141 W142 I145 T339 I508	L126-I130 HydrophobicContact CD1-CD1 3.58Å; L126-I130 HydrophobicContact CD1-CG1 4.18Å; L126-I130 HydrophobicContact CG-CD1 3.8Å; L126-I130 WeakPolarHBondContact O-CB 3.44Å; L126-I130 VanDerWaalsContact O-CG1 3.3Å; L126-I130 WeakPolarHBondContact O-CG1 3.44Å; L126-I130 PolarHBondContact O-N 3Å; E127-I130 PolarHBondContact O-N 3.25Å; I130-Y133 PolarHBondContact O-N 3.11Å; I130-T134 HydrophobicContact CG2-CG2 4.48Å; I130-T134 WeakPolarHBondContact O-CB 3.29Å; I130-T134 WeakPolarHBondContact O-CG2 3.39Å; I130-T134 PolarHBondContact O-N 3.48Å; I130-T134 PolarHBondContact O-OG1 3.48Å; I130-C141 HydrophobicContact CG2-CB 4.01Å; I130-W142 HydrophobicContact CD1-CH2 4.31Å; I130-I145 HydrophobicContact CB-CD1 4.35Å; I130-I145 HydrophobicContact CD1-CD1 4.26Å; I130-I145 HydrophobicContact CG1-CD1 4.07Å; I130-I145 HydrophobicContact CG2-CD1 3.48Å; I130-I145 VanDerWaalsContact CG2-CD1 3.48Å; I130-T339 HydrophobicContact CG2-CG2 4.44Å; I130-I508 HydrophobicContact CD1-CD1 3.47Å; I130-I508 VanDerWaalsContact CD1-CD1 3.47Å; I130-I508 HydrophobicContact CD1-CG1 3.76Å; I130-I508 HydrophobicContact CG1-CD1 4.29Å
131	G	95.5	Very high	94.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-56.8	-52	174.5	0	0	0	0	0	111	E127 I128 Y133 S135 T339 S343	E127-G131 PolarHBondContact O-N 2.91Å; I128-G131 PolarHBondContact O-N 3.24Å; G131-Y133 PolarHBondContact O-N 3.44Å; G131-S135 VanDerWaalsContact O-CA 3.31Å; G131-S135 WeakPolarHBondContact O-CA 3.36Å; G131-S135 PolarHBondContact O-N 3.48Å; G131-T339 VanDerWaalsContact CA-O 3.3Å; G131-T339 WeakPolarHBondContact CA-O 3.39Å; G131-S343 VanDerWaalsContact C-CA 3.49Å; G131-S343 WeakPolarHBondContact O-CA 3.27Å
132	Q	95.4	Very high	94.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-60.6	-43.1	179	179.9	175.1	-35.9	0	0	112.7	I128 I129 S135 G342 N345 K346 Y347 Y349 S351 M524	I128-Q132 WeakPolarHBondContact O-CB 3.5Å; I128-Q132 PolarHBondContact O-N 3.21Å; I129-Q132 PolarHBondContact O-N 3.39Å; Q132-S135 PolarHBondContact O-OG 3.15Å; Q132-G342 VanDerWaalsContact CA-O 3.26Å; Q132-G342 WeakPolarHBondContact CA-O 3.22Å; Q132-G342 PolarHBondContact N-O 3Å; Q132-N345 HydrophobicContact CB-CB 4.4Å; Q132-N345 HydrophobicContact CG-CB 4.02Å; Q132-K346 PolarHBondContact NE2-O 3.27Å; Q132-Y347 PolarHBondContact NE2-O 2.99Å; Q132-Y349 PolarHBondContact NE2-O 2.98Å; Q132-S351 PolarHBondContact OE1-OG 3.01Å; Q132-M524 HydrophobicContact CB-SD 4.41Å; Q132-M524 HydrophobicContact CG-SD 3.99Å
133	Y	92.9	Very high	94.2	Very high	42 Å²	42	8.9 Å²	8.9	17%	0.165	5%	0.046	C	C	.	.	H	α-helix	trans	-63.8	-51.3	-179.3	-178.9	-113.6	0	0	0	111.8	I129 I130 G131 S135 Y347 M524 N615	I129-Y133 VanDerWaalsContact O-CB 3.22Å; I129-Y133 WeakPolarHBondContact O-CB 3.41Å; I129-Y133 PolarHBondContact O-N 3.16Å; I130-Y133 PolarHBondContact O-N 3.11Å; G131-Y133 PolarHBondContact O-N 3.44Å; Y133-S135 VanDerWaalsContact C-N 3.35Å; Y133-Y347 HydrophobicContact CD2-CE2 4.08Å; Y133-Y347 HydrophobicContact CE2-CE2 4.49Å; Y133-M524 VanDerWaalsContact CA-SD 3.56Å; Y133-M524 HydrophobicContact CD2-CE 3.92Å; Y133-M524 HydrophobicContact CD2-CG 4.47Å; Y133-M524 HydrophobicContact CD2-SD 3.99Å; Y133-M524 HydrophobicContact CG-CE 4.21Å; Y133-M524 HydrophobicContact CG-SD 4.38Å; Y133-N615 VanDerWaalsContact OH-CG 3.31Å; Y133-N615 PolarHBondContact OH-OD1 3.47Å
134	T	91.8	Very high	93.9	Very high	14 Å²	14	11.7 Å²	11.7	9%	0.086	6%	0.058	C	C	.	.	H	α-helix	trans	-78.6	-22.7	-176.1	59.4	0	0	0	0	112.6	I130 E136 C141 K144 I145	I130-T134 HydrophobicContact CG2-CG2 4.48Å; I130-T134 WeakPolarHBondContact O-CB 3.29Å; I130-T134 WeakPolarHBondContact O-CG2 3.39Å; I130-T134 PolarHBondContact O-N 3.48Å; I130-T134 PolarHBondContact O-OG1 3.48Å; T134-E136 WeakPolarHBondContact O-CG 3.46Å; T134-E136 PolarHBondContact O-N 2.87Å; T134-E136 PolarHBondContact OG1-N 3.39Å; T134-C141 HydrophobicContact CG2-CB 4.23Å; T134-C141 WeakPolarHBondContact OG1-CB 3.27Å; T134-K144 PolarHBondContact O-NZ 3.26Å; T134-I145 HydrophobicContact CG2-CD1 4.05Å; T134-I145 HydrophobicContact CG2-CG1 4.13Å
135	S	91.4	Very high	93.6	Very high	37 Å²	37	12 Å²	12	26%	0.259	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.6	-168.2	-71.4	0	0	0	0	112.1	R70 K72 G131 Q132 Y133	R70-S135 PolarHBondContact NH1-O 2.94Å; K72-S135 PolarHBondContact NZ-OG 3.49Å; K72-S135 VanDerWaalsContact NZ-OG 3.11Å; G131-S135 VanDerWaalsContact O-CA 3.31Å; G131-S135 WeakPolarHBondContact O-CA 3.36Å; G131-S135 PolarHBondContact O-N 3.48Å; Q132-S135 PolarHBondContact O-OG 3.15Å; Y133-S135 VanDerWaalsContact C-N 3.35Å
136	E	90.3	Very high	93.4	Very high	37 Å²	37	12 Å²	12	17%	0.173	6%	0.06	C	C	.	.			trans	-126.1	155.5	-178.2	-71	-55.6	157.4	0	0	111.3	R70 T134 T140 C141 K144 S343	R70-E136 VanDerWaalsContact NH1-CA 3.28Å; T134-E136 WeakPolarHBondContact O-CG 3.46Å; T134-E136 PolarHBondContact O-N 2.87Å; T134-E136 PolarHBondContact OG1-N 3.39Å; E136-T140 WeakPolarHBondContact CB-OG1 3.39Å; E136-T140 PolarHBondContact OE2-OG1 2.75Å; E136-C141 HydrophobicContact CB-CB 4.11Å; E136-K144 HydrophobicContact CG-CD 3.86Å; E136-K144 VanDerWaalsContact CG-CE 3.48Å; E136-K144 VanDerWaalsContact CG-NZ 3.28Å; E136-K144 WeakPolarHBondContact OE1-CE 3.31Å; E136-K144 IonicContact OE1-NZ 2.76Å; E136-K144 PolarHBondContact OE1-NZ 2.96Å; E136-S343 WeakPolarHBondContact O-CB 3.2Å
137	G	90.9	Very high	93.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.			trans	-73.3	-178.7	172.7	0	0	0	0	0	113	I139 T140 C141 D445	G137-I139 VanDerWaalsContact C-N 3.27Å; G137-I139 PolarHBondContact O-N 3.44Å; G137-I139 VanDerWaalsContact O-N 3.12Å; G137-T140 PolarHBondContact O-N 3.25Å; G137-C141 VanDerWaalsContact O-CB 3.32Å; G137-C141 WeakPolarHBondContact O-CB 3.45Å; G137-C141 PolarHBondContact O-N 2.94Å; G137-C141 PolarHBondContact O-SG 3.13Å; G137-C141 VanDerWaalsContact O-SG 3.32Å; G137-D445 WeakPolarHBondContact CA-OD2 3.21Å; G137-D445 PolarHBondContact N-OD2 3.03Å
138	G	90.1	Very high	93.1	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.2	-170	0	0	0	0	0	116.3	C141 G153 S442	G138-C141 PolarHBondContact O-SG 2.88Å; G138-G153 WeakPolarHBondContact O-CA 3.39Å; G138-S442 PolarHBondContact N-OG 2.95Å
139	I	93.8	Very high	93	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-53	175.6	-58.4	170.9	0	0	0	111.1	G137 C141 W142 E143 Y154 I157 L443 L446	G137-I139 VanDerWaalsContact C-N 3.27Å; G137-I139 PolarHBondContact O-N 3.44Å; G137-I139 VanDerWaalsContact O-N 3.12Å; I139-C141 VanDerWaalsContact C-N 3.26Å; I139-C141 PolarHBondContact O-N 2.9Å; I139-W142 PolarHBondContact O-N 3.21Å; I139-E143 PolarHBondContact O-N 3.33Å; I139-Y154 HydrophobicContact CD1-CD1 4.01Å; I139-Y154 HydrophobicContact CD1-CE1 4.01Å; I139-Y154 HydrophobicContact CG2-CD1 4.49Å; I139-Y154 HydrophobicContact CG2-CD2 4.19Å; I139-Y154 HydrophobicContact CG2-CE1 4.11Å; I139-Y154 HydrophobicContact CG2-CE2 3.78Å; I139-I157 HydrophobicContact CD1-CB 4.38Å; I139-I157 HydrophobicContact CD1-CG1 3.86Å; I139-I157 HydrophobicContact CG1-CG1 3.8Å; I139-L443 HydrophobicContact CD1-CD2 4.41Å; I139-L446 HydrophobicContact CB-CD2 4.4Å; I139-L446 HydrophobicContact CD1-CD1 3.82Å; I139-L446 HydrophobicContact CD1-CG 4.44Å; I139-L446 HydrophobicContact CG2-CD2 3.89Å
140	T	92.5	Very high	93	Very high	13 Å²	13	13.5 Å²	13.5	8%	0.08	7%	0.068	C	C	.	.	H	α-helix	trans	-69.7	-23	-173.2	47.7	0	0	0	0	112.8	E136 G137 E143 K144 D445 L446	E136-T140 WeakPolarHBondContact CB-OG1 3.39Å; E136-T140 PolarHBondContact OE2-OG1 2.75Å; G137-T140 PolarHBondContact O-N 3.25Å; T140-E143 PolarHBondContact O-N 3.18Å; T140-K144 PolarHBondContact O-N 3.3Å; T140-D445 HydrophobicContact CG2-CB 4.22Å; T140-L446 HydrophobicContact CG2-CD2 3.89Å; T140-L446 HydrophobicContact CG2-CG 4.46Å
141	C	93.9	Very high	93	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-61.3	-45.2	172.3	70.4	0	0	0	0	111.9	I130 T134 E136 G137 G138 I139 E143 K144 I145 T339	I130-C141 HydrophobicContact CG2-CB 4.01Å; T134-C141 HydrophobicContact CG2-CB 4.23Å; T134-C141 WeakPolarHBondContact OG1-CB 3.27Å; E136-C141 HydrophobicContact CB-CB 4.11Å; G137-C141 VanDerWaalsContact O-CB 3.32Å; G137-C141 WeakPolarHBondContact O-CB 3.45Å; G137-C141 PolarHBondContact O-N 2.94Å; G137-C141 PolarHBondContact O-SG 3.13Å; G137-C141 VanDerWaalsContact O-SG 3.32Å; G138-C141 PolarHBondContact O-SG 2.88Å; I139-C141 VanDerWaalsContact C-N 3.26Å; I139-C141 PolarHBondContact O-N 2.9Å; C141-E143 VanDerWaalsContact C-N 3.35Å; C141-K144 PolarHBondContact O-N 3.34Å; C141-K144 VanDerWaalsContact O-N 3.16Å; C141-I145 WeakPolarHBondContact O-CG1 3.39Å; C141-I145 PolarHBondContact O-N 2.8Å; C141-T339 HydrophobicContact CB-CG2 4.23Å
142	W	95.1	Very high	93.1	Very high	6 Å²	6	13.3 Å²	13.3	2%	0.023	7%	0.067	C	C	.	.	H	α-helix	trans	-70.6	-31.9	178.4	-68.3	110.5	0	0	0	111.8	I130 I139 K144 I145 C146 I152 E504 V507 I508	I130-W142 HydrophobicContact CD1-CH2 4.31Å; I139-W142 PolarHBondContact O-N 3.21Å; W142-K144 VanDerWaalsContact C-N 3.25Å; W142-K144 PolarHBondContact O-N 2.98Å; W142-I145 HydrophobicContact CE3-CG2 4.45Å; W142-I145 HydrophobicContact CZ3-CG2 4.49Å; W142-I145 PolarHBondContact O-N 3.21Å; W142-C146 CarbonylContact O-C 3.28Å; W142-C146 PolarHBondContact O-N 3.01Å; W142-C146 VanDerWaalsContact O-O 3.06Å; W142-I152 HydrophobicContact CD2-CB 4.2Å; W142-I152 HydrophobicContact CD2-CD1 4.23Å; W142-I152 HydrophobicContact CD2-CG2 4.15Å; W142-I152 HydrophobicContact CE3-CD1 4.03Å; W142-I152 HydrophobicContact CG-CB 4.25Å; W142-I152 HydrophobicContact CG-CG2 4.44Å; W142-I152 HydrophobicContact CH2-CD1 4.29Å; W142-I152 HydrophobicContact CZ2-CD1 4.48Å; W142-I152 HydrophobicContact CZ2-CG2 3.91Å; W142-I152 HydrophobicContact CZ3-CD1 4.05Å; W142-E504 HydrophobicContact CH2-CB 3.93Å; W142-E504 HydrophobicContact CH2-CG 4.02Å; W142-E504 HydrophobicContact CZ2-CB 3.93Å; W142-E504 HydrophobicContact CZ2-CG 3.53Å; W142-V507 HydrophobicContact CE3-CG1 4.28Å; W142-V507 HydrophobicContact CZ3-CB 4.08Å; W142-V507 HydrophobicContact CZ3-CG1 3.82Å; W142-I508 HydrophobicContact CH2-CD1 4.14Å; W142-I508 HydrophobicContact CH2-CG1 3.78Å; W142-I508 HydrophobicContact CZ3-CD1 3.97Å; W142-I508 HydrophobicContact CZ3-CG1 3.95Å
143	E	90.9	Very high	93.2	Very high	27 Å²	27	13.3 Å²	13.3	13%	0.126	7%	0.067	C	C	.	.	H	α-helix	trans	-61.9	-32.4	171	-68.9	-156.8	167.1	0	0	113.2	I139 T140 C141 P147 R593 R612	I139-E143 PolarHBondContact O-N 3.33Å; T140-E143 PolarHBondContact O-N 3.18Å; C141-E143 VanDerWaalsContact C-N 3.35Å; E143-P147 WeakPolarHBondContact O-CG 3.25Å; E143-R593 IonicContact OE1-CZ 3.62Å; E143-R593 IonicContact OE1-NH2 3.46Å; E143-R593 PolarHBondContact OE1-NH2 3.3Å; E143-R612 IonicContact OE2-CZ 3.05Å; E143-R612 IonicContact OE2-NH1 2.86Å; E143-R612 PolarHBondContact OE2-NH1 3.09Å; E143-R612 IonicContact OE2-NH2 3.6Å; E143-R612 PolarHBondContact OE2-NH2 3.45Å
144	K	89.9	Confident	93.4	Very high	59 Å²	59	15.1 Å²	15.1	26%	0.257	7%	0.074	S	C	.	.	H	α-helix	trans	-77.8	-42.2	176	-72.2	-172.2	-177.1	175.4	0	112	T134 E136 T140 C141 W142 P611 R612	T134-K144 PolarHBondContact O-NZ 3.26Å; E136-K144 HydrophobicContact CG-CD 3.86Å; E136-K144 VanDerWaalsContact CG-CE 3.48Å; E136-K144 VanDerWaalsContact CG-NZ 3.28Å; E136-K144 WeakPolarHBondContact OE1-CE 3.31Å; E136-K144 IonicContact OE1-NZ 2.76Å; E136-K144 PolarHBondContact OE1-NZ 2.96Å; T140-K144 PolarHBondContact O-N 3.3Å; C141-K144 PolarHBondContact O-N 3.34Å; C141-K144 VanDerWaalsContact O-N 3.16Å; W142-K144 VanDerWaalsContact C-N 3.25Å; W142-K144 PolarHBondContact O-N 2.98Å; K144-P611 VanDerWaalsContact O-CA 3.24Å; K144-P611 WeakPolarHBondContact O-CA 3.18Å; K144-P611 WeakPolarHBondContact O-CB 3.48Å; K144-R612 PolarHBondContact O-N 3.23Å
145	I	91.1	Very high	93.6	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.031	7%	0.07	C	C	.	.	H	α-helix	trans	-74.7	-53.7	-175.6	-71.2	173.2	0	0	0	111.6	I130 T134 C141 W142 I508 Y512 P611	I130-I145 HydrophobicContact CB-CD1 4.35Å; I130-I145 HydrophobicContact CD1-CD1 4.26Å; I130-I145 HydrophobicContact CG1-CD1 4.07Å; I130-I145 HydrophobicContact CG2-CD1 3.48Å; I130-I145 VanDerWaalsContact CG2-CD1 3.48Å; T134-I145 HydrophobicContact CG2-CD1 4.05Å; T134-I145 HydrophobicContact CG2-CG1 4.13Å; C141-I145 WeakPolarHBondContact O-CG1 3.39Å; C141-I145 PolarHBondContact O-N 2.8Å; W142-I145 HydrophobicContact CE3-CG2 4.45Å; W142-I145 HydrophobicContact CZ3-CG2 4.49Å; W142-I145 PolarHBondContact O-N 3.21Å; I145-I508 HydrophobicContact CD1-CD1 4.17Å; I145-I508 HydrophobicContact CG2-CD1 3.85Å; I145-Y512 HydrophobicContact CG2-CD2 3.72Å; I145-Y512 HydrophobicContact CG2-CE2 4.34Å; I145-Y512 HydrophobicContact CG2-CG 3.97Å; I145-P611 WeakPolarHBondContact O-CA 3.32Å; I145-P611 WeakPolarHBondContact O-CG 3.25Å
146	C	93.4	Very high	93.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.058	C	C	.	.			trans	-151.8	91	-177.4	-168.7	0	0	0	0	110.4	W142 L148 F149 S150 V507	W142-C146 CarbonylContact O-C 3.28Å; W142-C146 PolarHBondContact O-N 3.01Å; W142-C146 VanDerWaalsContact O-O 3.06Å; C146-L148 PolarHBondContact O-N 2.88Å; C146-L148 VanDerWaalsContact O-N 3.07Å; C146-F149 CarbonylContact O-C 3.6Å; C146-F149 PolarHBondContact O-N 3.47Å; C146-S150 PolarHBondContact O-N 3.21Å; C146-V507 HydrophobicContact CB-CG1 3.69Å
147	P	91.9	Very high	94.1	Very high	6 Å²	6	11.6 Å²	11.6	4%	0.039	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-50.2	-34.3	-178.7	-28.9	31.8	0	0	0	115.4	E143 F149 S150 L608 T610 R612	E143-P147 WeakPolarHBondContact O-CG 3.25Å; P147-F149 VanDerWaalsContact C-N 3.28Å; P147-F149 PolarHBondContact O-N 2.85Å; P147-S150 PolarHBondContact O-N 3.3Å; P147-S150 PolarHBondContact O-OG 2.89Å; P147-L608 HydrophobicContact CB-CD2 4.02Å; P147-L608 VanDerWaalsContact CD-O 3.23Å; P147-L608 WeakPolarHBondContact CD-O 3.46Å; P147-T610 WeakPolarHBondContact CD-O 3.46Å; P147-R612 HydrophobicContact CG-CG 3.87Å
148	L	94.4	Very high	94.4	Very high	11 Å²	11	13.6 Å²	13.6	6%	0.058	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-61.5	-39.1	178.9	-168.6	62.6	0	0	0	111.8	C146 I590 L594 L608 L609	C146-L148 PolarHBondContact O-N 2.88Å; C146-L148 VanDerWaalsContact O-N 3.07Å; L148-I590 HydrophobicContact CD1-CG2 4.05Å; L148-I590 HydrophobicContact CG-CG1 4.29Å; L148-I590 HydrophobicContact CG-CG2 4.37Å; L148-I590 VanDerWaalsContact O-CG1 3.32Å; L148-I590 WeakPolarHBondContact O-CG1 3.49Å; L148-L594 HydrophobicContact CD1-CD1 4.42Å; L148-L594 HydrophobicContact CD1-CD2 4.13Å; L148-L594 HydrophobicContact CD1-CG 3.92Å; L148-L608 HydrophobicContact CB-CB 3.76Å; L148-L608 WeakPolarHBondContact CB-O 3.16Å; L148-L608 HydrophobicContact CD1-CB 3.95Å; L148-L608 HydrophobicContact CD1-CD1 3.82Å; L148-L608 HydrophobicContact CG-CB 4.37Å; L148-L608 PolarHBondContact N-O 3.43Å; L148-L609 HydrophobicContact CB-CD2 4.34Å; L148-L609 HydrophobicContact CD2-CD2 3.58Å; L148-L609 HydrophobicContact CD2-CG 4.01Å
149	F	96.2	Very high	94.7	Very high	20 Å²	20	13.6 Å²	13.6	9%	0.088	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-100.3	19.8	-176.8	-72.9	-88.7	0	0	0	112.8	C146 P147 G151 I152 F503 V507 I511 V586 I590 L609	C146-F149 CarbonylContact O-C 3.6Å; C146-F149 PolarHBondContact O-N 3.47Å; P147-F149 VanDerWaalsContact C-N 3.28Å; P147-F149 PolarHBondContact O-N 2.85Å; F149-G151 PolarHBondContact O-N 2.86Å; F149-I152 HydrophobicContact CB-CD1 3.99Å; F149-I152 HydrophobicContact CB-CG1 4.46Å; F149-I152 WeakPolarHBondContact O-CB 3.26Å; F149-I152 VanDerWaalsContact O-CG1 3.31Å; F149-I152 WeakPolarHBondContact O-CG1 3.48Å; F149-I152 PolarHBondContact O-N 3.19Å; F149-F503 HydrophobicContact CD1-CD1 4.16Å; F149-F503 AromaticContact CE1-CD1 3.9Å; F149-F503 HydrophobicContact CE1-CD1 3.9Å; F149-F503 HydrophobicContact CE1-CE1 4.08Å; F149-V507 HydrophobicContact CB-CG1 4.4Å; F149-V507 HydrophobicContact CB-CG2 3.67Å; F149-V507 HydrophobicContact CD1-CG2 3.64Å; F149-V507 HydrophobicContact CD2-CG2 3.78Å; F149-V507 HydrophobicContact CE1-CG2 4.19Å; F149-V507 HydrophobicContact CE2-CG2 4.32Å; F149-V507 HydrophobicContact CG-CG2 3.41Å; F149-V507 VanDerWaalsContact CG-CG2 3.41Å; F149-V507 HydrophobicContact CZ-CG2 4.5Å; F149-I511 HydrophobicContact CD2-CD1 3.91Å; F149-I511 HydrophobicContact CE2-CD1 3.28Å; F149-I511 HydrophobicContact CZ-CD1 3.87Å; F149-V586 HydrophobicContact CD1-CG1 4.23Å; F149-I590 HydrophobicContact CD1-CD1 3.99Å; F149-I590 HydrophobicContact CE1-CD1 3.67Å; F149-I590 HydrophobicContact CZ-CD1 4.18Å; F149-L609 HydrophobicContact CD2-CD2 4.42Å; F149-L609 HydrophobicContact CE2-CD2 4.03Å
150	S	95.3	Very high	94.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-13.8	174.7	74.8	0	0	0	0	113.3	C146 P147 I152 G153 Y154 V589 R593	C146-S150 PolarHBondContact O-N 3.21Å; P147-S150 PolarHBondContact O-N 3.3Å; P147-S150 PolarHBondContact O-OG 2.89Å; S150-I152 PolarHBondContact O-N 3.3Å; S150-G153 PolarHBondContact O-N 2.75Å; S150-Y154 VanDerWaalsContact O-CD2 3.28Å; S150-Y154 WeakPolarHBondContact O-CD2 3.38Å; S150-V589 WeakPolarHBondContact OG-CG1 3.33Å; S150-R593 PolarHBondContact OG-NH2 3.03Å
151	G	96.7	Very high	94.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.1	-22.4	171.5	0	0	0	0	0	114.7	F149 Y154 A155	F149-G151 PolarHBondContact O-N 2.86Å; G151-Y154 PolarHBondContact O-N 2.79Å; G151-A155 WeakPolarHBondContact O-CB 3.38Å; G151-A155 PolarHBondContact O-N 2.61Å
152	I	97.4	Very high	95	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-58.5	-51.2	173.9	-65.5	172	0	0	0	110	W142 F149 S150 Y154 A155 S156 V500 F503 E504 V507 V586	W142-I152 HydrophobicContact CD2-CB 4.2Å; W142-I152 HydrophobicContact CD2-CD1 4.23Å; W142-I152 HydrophobicContact CD2-CG2 4.15Å; W142-I152 HydrophobicContact CE3-CD1 4.03Å; W142-I152 HydrophobicContact CG-CB 4.25Å; W142-I152 HydrophobicContact CG-CG2 4.44Å; W142-I152 HydrophobicContact CH2-CD1 4.29Å; W142-I152 HydrophobicContact CZ2-CD1 4.48Å; W142-I152 HydrophobicContact CZ2-CG2 3.91Å; W142-I152 HydrophobicContact CZ3-CD1 4.05Å; F149-I152 HydrophobicContact CB-CD1 3.99Å; F149-I152 HydrophobicContact CB-CG1 4.46Å; F149-I152 WeakPolarHBondContact O-CB 3.26Å; F149-I152 VanDerWaalsContact O-CG1 3.31Å; F149-I152 WeakPolarHBondContact O-CG1 3.48Å; F149-I152 PolarHBondContact O-N 3.19Å; S150-I152 PolarHBondContact O-N 3.3Å; I152-Y154 VanDerWaalsContact C-N 3.33Å; I152-Y154 PolarHBondContact O-N 3.08Å; I152-A155 WeakPolarHBondContact O-CB 3.46Å; I152-A155 PolarHBondContact O-N 3.07Å; I152-A155 VanDerWaalsContact O-N 3.13Å; I152-S156 PolarHBondContact O-N 2.77Å; I152-S156 PolarHBondContact O-OG 3.08Å; I152-V500 HydrophobicContact CG2-CG1 4.06Å; I152-F503 HydrophobicContact CD1-CB 3.82Å; I152-F503 HydrophobicContact CG1-CB 3.89Å; I152-E504 HydrophobicContact CG2-CG 3.52Å; I152-V507 HydrophobicContact CD1-CB 4.38Å; I152-V507 HydrophobicContact CD1-CG2 3.87Å; I152-V586 HydrophobicContact CG1-CG2 4.23Å
153	G	96.6	Very high	95	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-38.3	178.6	0	0	0	0	0	113.2	G138 S150 S156 I157	G138-G153 WeakPolarHBondContact O-CA 3.39Å; S150-G153 PolarHBondContact O-N 2.75Å; G153-S156 PolarHBondContact O-N 3.09Å; G153-I157 VanDerWaalsContact O-CG1 3.28Å; G153-I157 WeakPolarHBondContact O-CG1 3.39Å; G153-I157 PolarHBondContact O-N 3.41Å
154	Y	97.1	Very high	95.2	Very high	80 Å²	80	14.7 Å²	14.7	31%	0.314	7%	0.073	S	C	.	.	H	α-helix	trans	-64.7	-41.1	173.9	-71.1	-75.6	0	0	0	111.9	I139 S150 G151 I152 I157 V158 V589	I139-Y154 HydrophobicContact CD1-CD1 4.01Å; I139-Y154 HydrophobicContact CD1-CE1 4.01Å; I139-Y154 HydrophobicContact CG2-CD1 4.49Å; I139-Y154 HydrophobicContact CG2-CD2 4.19Å; I139-Y154 HydrophobicContact CG2-CE1 4.11Å; I139-Y154 HydrophobicContact CG2-CE2 3.78Å; S150-Y154 VanDerWaalsContact O-CD2 3.28Å; S150-Y154 WeakPolarHBondContact O-CD2 3.38Å; G151-Y154 PolarHBondContact O-N 2.79Å; I152-Y154 VanDerWaalsContact C-N 3.33Å; I152-Y154 PolarHBondContact O-N 3.08Å; Y154-I157 PolarHBondContact O-N 3.03Å; Y154-V158 WeakPolarHBondContact O-CG2 3.31Å; Y154-V158 PolarHBondContact O-N 3.08Å; Y154-V589 HydrophobicContact CD2-CG2 3.97Å; Y154-V589 HydrophobicContact CE2-CG2 4.48Å
155	A	97.3	Very high	95.5	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59	-50.9	175.6	0	0	0	0	0	110.9	G151 I152 I157 V158 I159 V500 S582 C585 V586	G151-A155 WeakPolarHBondContact O-CB 3.38Å; G151-A155 PolarHBondContact O-N 2.61Å; I152-A155 WeakPolarHBondContact O-CB 3.46Å; I152-A155 PolarHBondContact O-N 3.07Å; I152-A155 VanDerWaalsContact O-N 3.13Å; A155-I157 VanDerWaalsContact C-N 3.26Å; A155-I157 PolarHBondContact O-N 3.13Å; A155-V158 PolarHBondContact O-N 3.25Å; A155-V158 VanDerWaalsContact O-N 3.15Å; A155-I159 WeakPolarHBondContact O-CG1 3.35Å; A155-I159 PolarHBondContact O-N 3.24Å; A155-V500 HydrophobicContact CB-CG2 3.87Å; A155-S582 VanDerWaalsContact CB-O 3.29Å; A155-S582 WeakPolarHBondContact CB-O 3.34Å; A155-C585 HydrophobicContact CB-CB 3.94Å; A155-V586 HydrophobicContact CB-CG2 4.31Å
156	S	95.8	Very high	95.7	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.007	6%	0.062	C	C	.	.	H	α-helix	trans	-55.4	-41.2	176.5	-61.4	0	0	0	0	112.5	I152 G153 I159 V160 C334	I152-S156 PolarHBondContact O-N 2.77Å; I152-S156 PolarHBondContact O-OG 3.08Å; G153-S156 PolarHBondContact O-N 3.09Å; S156-I159 PolarHBondContact O-N 3.36Å; S156-V160 PolarHBondContact O-N 3.45Å; S156-C334 VanDerWaalsContact CB-O 3.29Å; S156-C334 WeakPolarHBondContact CB-O 3.27Å; S156-C334 PolarHBondContact OG-O 2.97Å
157	I	95.8	Very high	95.8	Very high	12 Å²	12	13.5 Å²	13.5	6%	0.062	7%	0.068	C	C	.	.	H	α-helix	trans	-70.8	-35.1	179.4	-67.3	-65.9	0	0	0	112.8	I139 G153 Y154 A155 V160 S161 Q439 S442 L443	I139-I157 HydrophobicContact CD1-CB 4.38Å; I139-I157 HydrophobicContact CD1-CG1 3.86Å; I139-I157 HydrophobicContact CG1-CG1 3.8Å; G153-I157 VanDerWaalsContact O-CG1 3.28Å; G153-I157 WeakPolarHBondContact O-CG1 3.39Å; G153-I157 PolarHBondContact O-N 3.41Å; Y154-I157 PolarHBondContact O-N 3.03Å; A155-I157 VanDerWaalsContact C-N 3.26Å; A155-I157 PolarHBondContact O-N 3.13Å; I157-V160 HydrophobicContact CD1-CG1 4.16Å; I157-V160 WeakPolarHBondContact O-CG1 3.47Å; I157-S161 VanDerWaalsContact O-CB 3.26Å; I157-S161 WeakPolarHBondContact O-CB 3.38Å; I157-S161 PolarHBondContact O-N 3.4Å; I157-S161 PolarHBondContact O-OG 3.39Å; I157-Q439 HydrophobicContact CD1-CG 4.45Å; I157-Q439 HydrophobicContact CG2-CG 4.41Å; I157-S442 VanDerWaalsContact CD1-CB 3.43Å; I157-L443 HydrophobicContact CG2-CD2 4.33Å
158	V	96.8	Very high	96	Very high	43 Å²	43	13.2 Å²	13.2	26%	0.261	7%	0.066	S	C	.	.	H	α-helix	trans	-64.7	-45.5	171.8	173	0	0	0	0	110.3	Y154 A155 S161 L162	Y154-V158 WeakPolarHBondContact O-CG2 3.31Å; Y154-V158 PolarHBondContact O-N 3.08Å; A155-V158 PolarHBondContact O-N 3.25Å; A155-V158 VanDerWaalsContact O-N 3.15Å; V158-S161 PolarHBondContact O-N 3.39Å; V158-L162 HydrophobicContact CG1-CD1 4.09Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 3.12Å
159	I	95.8	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.8	-53.1	179.3	-62.7	168.2	0	0	0	110.5	A155 S156 S161 L162 L163 L335 A492 C496 L497 V500 S582	A155-I159 WeakPolarHBondContact O-CG1 3.35Å; A155-I159 PolarHBondContact O-N 3.24Å; S156-I159 PolarHBondContact O-N 3.36Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.07Å; I159-L162 PolarHBondContact O-N 3.26Å; I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 PolarHBondContact O-N 2.93Å; I159-L335 HydrophobicContact CB-CD2 4.13Å; I159-L335 HydrophobicContact CG2-CD2 3.38Å; I159-A492 HydrophobicContact CG2-CB 4.25Å; I159-C496 HydrophobicContact CD1-CB 4.01Å; I159-C496 HydrophobicContact CG1-CB 4.4Å; I159-L497 HydrophobicContact CD1-CD2 4.44Å; I159-L497 HydrophobicContact CG2-CD2 4.06Å; I159-V500 HydrophobicContact CD1-CG2 3.78Å; I159-S582 VanDerWaalsContact CG1-CB 3.44Å
160	V	95.8	Very high	96.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.8	-32.5	-178.6	78.3	0	0	0	0	111.9	S156 I157 L163 N164 L335 E435 Q439	S156-V160 PolarHBondContact O-N 3.45Å; I157-V160 HydrophobicContact CD1-CG1 4.16Å; I157-V160 WeakPolarHBondContact O-CG1 3.47Å; V160-L163 PolarHBondContact O-N 2.88Å; V160-N164 VanDerWaalsContact O-CB 3.3Å; V160-N164 WeakPolarHBondContact O-CB 3.24Å; V160-N164 PolarHBondContact O-N 3Å; V160-N164 PolarHBondContact O-ND2 2.99Å; V160-L335 HydrophobicContact CB-CB 4.29Å; V160-L335 HydrophobicContact CB-CD2 4.42Å; V160-L335 HydrophobicContact CG2-CB 4.33Å; V160-E435 HydrophobicContact CG2-CB 3.73Å; V160-E435 HydrophobicContact CG2-CG 4.22Å; V160-Q439 HydrophobicContact CG1-CB 3.91Å; V160-Q439 HydrophobicContact CG1-CG 4.12Å
161	S	96.1	Very high	96.2	Very high	34 Å²	34	12.2 Å²	12.2	24%	0.238	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-44.8	175.4	-60.9	0	0	0	0	111.5	I157 V158 I159 V165 Q439	I157-S161 VanDerWaalsContact O-CB 3.26Å; I157-S161 WeakPolarHBondContact O-CB 3.38Å; I157-S161 PolarHBondContact O-N 3.4Å; I157-S161 PolarHBondContact O-OG 3.39Å; V158-S161 PolarHBondContact O-N 3.39Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 3.07Å; S161-V165 WeakPolarHBondContact O-CG2 3.4Å; S161-V165 PolarHBondContact O-N 2.9Å; S161-Q439 PolarHBondContact OG-NE2 2.95Å
162	L	95.8	Very high	96.3	Very high	30 Å²	30	12.2 Å²	12.2	16%	0.157	6%	0.061	C	C	.	.	H	α-helix	trans	-68.3	-38.4	176.9	-64.6	171.8	0	0	0	111.2	V158 I159 V165 Y166 F487 A491 L578	V158-L162 HydrophobicContact CG1-CD1 4.09Å; V158-L162 WeakPolarHBondContact O-CG 3.46Å; V158-L162 PolarHBondContact O-N 3.12Å; I159-L162 PolarHBondContact O-N 3.26Å; L162-V165 PolarHBondContact O-N 3.02Å; L162-Y166 WeakPolarHBondContact O-CD1 3.16Å; L162-F487 HydrophobicContact CB-CD1 4.47Å; L162-F487 HydrophobicContact CB-CE1 4.48Å; L162-F487 HydrophobicContact CD2-CE1 3.87Å; L162-A491 HydrophobicContact CB-CB 3.92Å; L162-A491 HydrophobicContact CD1-CB 3.9Å; L162-A491 HydrophobicContact CG-CB 4.45Å; L162-L578 HydrophobicContact CD1-CD2 4.4Å; L162-L578 HydrophobicContact CD2-CD2 4.19Å
163	L	94.9	Very high	96.3	Very high	5 Å²	5	12.2 Å²	12.2	3%	0.026	6%	0.061	C	C	.	.	H	α-helix	trans	-61.1	-50.6	176.8	-170.2	160.9	0	0	0	111.6	I159 V160 V165 Y166 Y167 L335 E435 A492	I159-L163 WeakPolarHBondContact O-CB 3.46Å; I159-L163 PolarHBondContact O-N 2.93Å; V160-L163 PolarHBondContact O-N 2.88Å; L163-V165 PolarHBondContact O-N 3.45Å; L163-V165 VanDerWaalsContact O-N 3.11Å; L163-Y166 HydrophobicContact CB-CE1 4.15Å; L163-Y166 HydrophobicContact CG-CE1 3.94Å; L163-Y166 WeakPolarHBondContact O-CD1 3.17Å; L163-Y166 PolarHBondContact O-N 3.4Å; L163-Y166 VanDerWaalsContact O-N 3.12Å; L163-Y167 HydrophobicContact CD2-CG 4.33Å; L163-Y167 WeakPolarHBondContact O-CB 3.3Å; L163-Y167 PolarHBondContact O-N 3.29Å; L163-L335 HydrophobicContact CD1-CD1 3.95Å; L163-L335 HydrophobicContact CD1-CD2 4.24Å; L163-E435 VanDerWaalsContact CD2-CD 3.49Å; L163-E435 WeakPolarHBondContact CD2-OE2 3.29Å; L163-A492 HydrophobicContact CB-CB 3.97Å; L163-A492 HydrophobicContact CD1-CB 3.98Å; L163-A492 HydrophobicContact CG-CB 4.15Å
164	N	96.1	Very high	96.3	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-56	-30.7	179.4	-78.7	-26.5	0	0	0	113.2	V160 I168 Q432 E435 V436 Q439	V160-N164 VanDerWaalsContact O-CB 3.3Å; V160-N164 WeakPolarHBondContact O-CB 3.24Å; V160-N164 PolarHBondContact O-N 3Å; V160-N164 PolarHBondContact O-ND2 2.99Å; N164-I168 WeakPolarHBondContact O-CG2 3.33Å; N164-Q432 PolarHBondContact O-NE2 3.25Å; N164-E435 VanDerWaalsContact OD1-CB 3.28Å; N164-E435 WeakPolarHBondContact OD1-CB 3.46Å; N164-V436 HydrophobicContact CB-CG2 4.32Å; N164-Q439 PolarHBondContact ND2-OE1 3.44Å
165	V	96.1	Very high	96.4	Very high	5 Å²	5	8.7 Å²	8.7	3%	0.03	5%	0.048	C	C	.	.	H	α-helix	trans	-71.7	-42.9	179.3	172.3	0	0	0	0	111.8	S161 L162 L163 L471 M475 F487	S161-V165 WeakPolarHBondContact O-CG2 3.4Å; S161-V165 PolarHBondContact O-N 2.9Å; L162-V165 PolarHBondContact O-N 3.02Å; L163-V165 PolarHBondContact O-N 3.45Å; L163-V165 VanDerWaalsContact O-N 3.11Å; V165-L471 HydrophobicContact CG1-CB 3.74Å; V165-L471 HydrophobicContact CG2-CB 4.26Å; V165-L471 HydrophobicContact CG2-CD1 4.13Å; V165-M475 HydrophobicContact CG1-CE 3.78Å; V165-F487 HydrophobicContact CG1-CE1 4.45Å
166	Y	94.7	Very high	96.4	Very high	7 Å²	7	9.3 Å²	9.3	3%	0.027	5%	0.051	C	C	.	.	H	α-helix	trans	-92	-37.3	-174.6	89.6	-93.3	0	0	0	113	L162 L163 I168 V169 M475 F484 F487 D488 A492	L162-Y166 WeakPolarHBondContact O-CD1 3.16Å; L163-Y166 HydrophobicContact CB-CE1 4.15Å; L163-Y166 HydrophobicContact CG-CE1 3.94Å; L163-Y166 WeakPolarHBondContact O-CD1 3.17Å; L163-Y166 PolarHBondContact O-N 3.4Å; L163-Y166 VanDerWaalsContact O-N 3.12Å; Y166-I168 VanDerWaalsContact C-N 3.28Å; Y166-I168 PolarHBondContact O-N 3.18Å; Y166-V169 VanDerWaalsContact O-CB 3.24Å; Y166-V169 WeakPolarHBondContact O-CB 3.38Å; Y166-V169 WeakPolarHBondContact O-CG2 3.36Å; Y166-V169 PolarHBondContact O-N 3.11Å; Y166-M475 VanDerWaalsContact CB-SD 3.54Å; Y166-F484 HydrophobicContact CD2-CD2 4.13Å; Y166-F484 AromaticContact CD2-CE2 3.65Å; Y166-F484 HydrophobicContact CD2-CE2 3.65Å; Y166-F484 HydrophobicContact CD2-CZ 4.03Å; Y166-F484 HydrophobicContact CE2-CE2 4.42Å; Y166-F484 HydrophobicContact CE2-CZ 4.39Å; Y166-F484 WeakPolarHBondContact O-CE2 3.2Å; Y166-F487 HydrophobicContact CD1-CB 4.02Å; Y166-F487 HydrophobicContact CG-CB 3.92Å; Y166-D488 HydrophobicContact CD2-CB 4.12Å; Y166-D488 HydrophobicContact CE2-CB 3.65Å; Y166-D488 WeakPolarHBondContact CE2-OD1 3.18Å; Y166-D488 PolarHBondContact OH-OD1 3.26Å; Y166-A492 HydrophobicContact CE1-CB 3.93Å
167	Y	94.9	Very high	96.5	Very high	29 Å²	29	9.3 Å²	9.3	11%	0.114	5%	0.051	C	C	.	.	H	α-helix	trans	-61	-40.4	-174.9	-174.3	-98.1	0	0	0	111.5	L90 L163 V169 I170 L171 G428 Q432	L90-Y167 HydrophobicContact CD1-CE2 4.16Å; L163-Y167 HydrophobicContact CD2-CG 4.33Å; L163-Y167 WeakPolarHBondContact O-CB 3.3Å; L163-Y167 PolarHBondContact O-N 3.29Å; Y167-V169 PolarHBondContact O-N 3.03Å; Y167-V169 VanDerWaalsContact O-N 3.15Å; Y167-I170 HydrophobicContact CD2-CD1 4.11Å; Y167-I170 HydrophobicContact CE2-CD1 4.43Å; Y167-I170 VanDerWaalsContact O-CB 3.3Å; Y167-I170 WeakPolarHBondContact O-CB 3.38Å; Y167-I170 PolarHBondContact O-N 3.49Å; Y167-L171 HydrophobicContact CD1-CD1 4.07Å; Y167-L171 HydrophobicContact CE1-CD1 3.93Å; Y167-G428 WeakPolarHBondContact CE1-O 3.3Å; Y167-Q432 HydrophobicContact CD1-CB 4.42Å
168	I	96.8	Very high	96.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63.8	-20.3	178.7	-153.3	174.8	0	0	0	113.9	N164 Y166 I170 L171 A172 L253 V256 W257 Q432	N164-I168 WeakPolarHBondContact O-CG2 3.33Å; Y166-I168 VanDerWaalsContact C-N 3.28Å; Y166-I168 PolarHBondContact O-N 3.18Å; I168-I170 PolarHBondContact O-N 3.35Å; I168-L171 HydrophobicContact CG1-CD2 4.33Å; I168-L171 WeakPolarHBondContact O-CB 3.23Å; I168-L171 PolarHBondContact O-N 2.92Å; I168-L171 VanDerWaalsContact O-N 3.15Å; I168-A172 PolarHBondContact O-N 3.39Å; I168-A172 VanDerWaalsContact O-N 3.09Å; I168-L253 HydrophobicContact CG2-CD1 3.74Å; I168-V256 HydrophobicContact CD1-CB 4.48Å; I168-V256 HydrophobicContact CD1-CG1 3.84Å; I168-V256 HydrophobicContact CG1-CB 4.35Å; I168-V256 HydrophobicContact CG1-CG1 3.55Å; I168-W257 HydrophobicContact CB-CZ2 4.43Å; I168-W257 HydrophobicContact CD1-CB 4.46Å; I168-W257 HydrophobicContact CD1-CD2 3.38Å; I168-W257 HydrophobicContact CD1-CE3 3.83Å; I168-W257 HydrophobicContact CD1-CG 3.68Å; I168-W257 HydrophobicContact CD1-CH2 4.18Å; I168-W257 HydrophobicContact CD1-CZ2 3.76Å; I168-W257 HydrophobicContact CD1-CZ3 4.22Å; I168-W257 HydrophobicContact CG2-CZ2 3.8Å; I168-Q432 HydrophobicContact CB-CG 4.37Å; I168-Q432 HydrophobicContact CD1-CG 4.03Å; I168-Q432 HydrophobicContact CG1-CG 4.09Å
169	V	97.3	Very high	96.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.5	-33.1	174.8	-177.8	0	0	0	0	110.7	Y166 Y167 L171 A172 W173 L253 M475 V476 F484	Y166-V169 VanDerWaalsContact O-CB 3.24Å; Y166-V169 WeakPolarHBondContact O-CB 3.38Å; Y166-V169 WeakPolarHBondContact O-CG2 3.36Å; Y166-V169 PolarHBondContact O-N 3.11Å; Y167-V169 PolarHBondContact O-N 3.03Å; Y167-V169 VanDerWaalsContact O-N 3.15Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.37Å; V169-A172 WeakPolarHBondContact O-CB 3.48Å; V169-A172 PolarHBondContact O-N 3.43Å; V169-W173 HydrophobicContact CG1-CD2 4.41Å; V169-W173 HydrophobicContact CG1-CH2 4.3Å; V169-W173 HydrophobicContact CG1-CZ2 3.67Å; V169-W173 PolarHBondContact O-N 3.3Å; V169-L253 HydrophobicContact CG2-CD1 4.4Å; V169-M475 HydrophobicContact CG1-CB 4.32Å; V169-M475 HydrophobicContact CG2-CB 3.96Å; V169-M475 HydrophobicContact CG2-SD 4.01Å; V169-V476 HydrophobicContact CG1-CG2 4.17Å; V169-F484 HydrophobicContact CB-CD2 4.17Å; V169-F484 HydrophobicContact CB-CE2 4.37Å; V169-F484 HydrophobicContact CG1-CD2 4.32Å
170	I	95.9	Very high	96.6	Very high	8 Å²	8	14.7 Å²	14.7	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-62.1	-42	173.8	-62.8	159.1	0	0	0	111.1	L90 W94 Y167 I168 A172 W173 A174 F400 F484	L90-I170 HydrophobicContact CD1-CB 4.26Å; L90-I170 HydrophobicContact CD1-CD1 4.39Å; L90-I170 HydrophobicContact CD1-CG2 3.5Å; L90-I170 VanDerWaalsContact CD1-CG2 3.5Å; W94-I170 HydrophobicContact CH2-CB 4.38Å; W94-I170 HydrophobicContact CH2-CD1 3.82Å; W94-I170 HydrophobicContact CH2-CG1 4.06Å; W94-I170 HydrophobicContact CH2-CG2 3.44Å; W94-I170 VanDerWaalsContact CH2-CG2 3.44Å; W94-I170 HydrophobicContact CZ2-CD1 3.81Å; W94-I170 HydrophobicContact CZ2-CG2 4.27Å; W94-I170 HydrophobicContact CZ3-CG2 4.13Å; Y167-I170 HydrophobicContact CD2-CD1 4.11Å; Y167-I170 HydrophobicContact CE2-CD1 4.43Å; Y167-I170 VanDerWaalsContact O-CB 3.3Å; Y167-I170 WeakPolarHBondContact O-CB 3.38Å; Y167-I170 PolarHBondContact O-N 3.49Å; I168-I170 PolarHBondContact O-N 3.35Å; I170-A172 VanDerWaalsContact C-N 3.27Å; I170-A172 PolarHBondContact O-N 3.4Å; I170-W173 HydrophobicContact CB-CE3 4.31Å; I170-W173 HydrophobicContact CG1-CE3 4.12Å; I170-W173 HydrophobicContact CG1-CZ3 3.91Å; I170-W173 WeakPolarHBondContact O-CB 3.44Å; I170-W173 PolarHBondContact O-N 3.49Å; I170-A174 PolarHBondContact O-N 3.43Å; I170-F400 HydrophobicContact CG2-CE2 4.04Å; I170-F400 HydrophobicContact CG2-CZ 4.07Å; I170-F484 HydrophobicContact CD1-CE2 4.22Å; I170-F484 HydrophobicContact CD1-CZ 3.92Å; I170-F484 HydrophobicContact CG1-CE2 3.8Å; I170-F484 HydrophobicContact CG1-CZ 3.73Å
171	L	97.1	Very high	96.7	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-66.8	-33.2	178.4	-74.2	61.6	0	0	0	110.8	L90 Y167 I168 V169 A174 T175 V256 L425 L429 Q432	L90-L171 HydrophobicContact CD1-CD1 4.43Å; Y167-L171 HydrophobicContact CD1-CD1 4.07Å; Y167-L171 HydrophobicContact CE1-CD1 3.93Å; I168-L171 HydrophobicContact CG1-CD2 4.33Å; I168-L171 WeakPolarHBondContact O-CB 3.23Å; I168-L171 PolarHBondContact O-N 2.92Å; I168-L171 VanDerWaalsContact O-N 3.15Å; V169-L171 VanDerWaalsContact C-N 3.31Å; V169-L171 PolarHBondContact O-N 3.37Å; L171-A174 PolarHBondContact O-N 2.89Å; L171-T175 WeakPolarHBondContact O-CB 3.33Å; L171-T175 PolarHBondContact O-N 2.74Å; L171-T175 PolarHBondContact O-OG1 2.95Å; L171-V256 HydrophobicContact CB-CB 4.48Å; L171-V256 HydrophobicContact CB-CG1 3.67Å; L171-V256 HydrophobicContact CB-CG2 4.13Å; L171-V256 HydrophobicContact CD2-CG1 3.59Å; L171-V256 HydrophobicContact CG-CG1 4.32Å; L171-L425 HydrophobicContact CB-CD1 4.04Å; L171-L425 HydrophobicContact CG-CD1 4.33Å; L171-L429 HydrophobicContact CD2-CB 4.45Å; L171-L429 HydrophobicContact CD2-CD1 4.49Å; L171-Q432 HydrophobicContact CD2-CB 4.31Å
172	A	98	Very high	96.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.2	-43.6	172.1	0	0	0	0	0	111.4	I168 V169 I170 T175 Y176 C252 L253	I168-A172 PolarHBondContact O-N 3.39Å; I168-A172 VanDerWaalsContact O-N 3.09Å; V169-A172 WeakPolarHBondContact O-CB 3.48Å; V169-A172 PolarHBondContact O-N 3.43Å; I170-A172 VanDerWaalsContact C-N 3.27Å; I170-A172 PolarHBondContact O-N 3.4Å; A172-T175 PolarHBondContact O-N 2.85Å; A172-Y176 PolarHBondContact O-N 3.24Å; A172-C252 HydrophobicContact CB-CB 4.19Å; A172-C252 WeakPolarHBondContact O-CB 3.45Å; A172-L253 HydrophobicContact CB-CB 3.94Å; A172-L253 HydrophobicContact CB-CD1 4.16Å
173	W	97.9	Very high	96.4	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-45	172	-58.9	-33.4	0	0	0	111.7	V169 I170 T175 Y176 Y177 W228 L233 P396 F400 M481 F484	V169-W173 HydrophobicContact CG1-CD2 4.41Å; V169-W173 HydrophobicContact CG1-CH2 4.3Å; V169-W173 HydrophobicContact CG1-CZ2 3.67Å; V169-W173 PolarHBondContact O-N 3.3Å; I170-W173 HydrophobicContact CB-CE3 4.31Å; I170-W173 HydrophobicContact CG1-CE3 4.12Å; I170-W173 HydrophobicContact CG1-CZ3 3.91Å; I170-W173 WeakPolarHBondContact O-CB 3.44Å; I170-W173 PolarHBondContact O-N 3.49Å; W173-T175 VanDerWaalsContact C-N 3.32Å; W173-T175 PolarHBondContact O-N 3.41Å; W173-Y176 WeakPolarHBondContact O-CB 3.47Å; W173-Y176 PolarHBondContact O-N 2.83Å; W173-Y177 WeakPolarHBondContact O-CD2 3.25Å; W173-Y177 PolarHBondContact O-N 2.99Å; W173-W228 HydrophobicContact CB-CZ3 4.35Å; W173-W228 AromaticContact CD2-CH2 3.7Å; W173-W228 HydrophobicContact CD2-CH2 3.7Å; W173-W228 HydrophobicContact CD2-CZ3 4.33Å; W173-W228 AromaticContact CE3-CH2 3.72Å; W173-W228 HydrophobicContact CE3-CH2 3.72Å; W173-W228 HydrophobicContact CG-CH2 4.07Å; W173-W228 HydrophobicContact CG-CZ3 4.22Å; W173-W228 HydrophobicContact CZ3-CH2 4.18Å; W173-L233 HydrophobicContact CZ2-CD2 4.25Å; W173-P396 HydrophobicContact CZ3-CB 4.12Å; W173-P396 HydrophobicContact CZ3-CG 4.1Å; W173-F400 HydrophobicContact CB-CD1 4.42Å; W173-F400 HydrophobicContact CB-CE1 3.78Å; W173-F400 HydrophobicContact CB-CE2 4.14Å; W173-F400 HydrophobicContact CB-CZ 3.63Å; W173-F400 HydrophobicContact CE3-CD2 4.31Å; W173-F400 AromaticContact CE3-CE2 3.8Å; W173-F400 HydrophobicContact CE3-CE2 3.8Å; W173-F400 HydrophobicContact CE3-CZ 4.36Å; W173-M481 HydrophobicContact CH2-CE 4.43Å; W173-M481 HydrophobicContact CH2-SD 3.65Å; W173-M481 HydrophobicContact CZ2-SD 3.97Å; W173-F484 AromaticContact CH2-CD1 3.82Å; W173-F484 HydrophobicContact CH2-CD1 3.82Å; W173-F484 AromaticContact CH2-CD2 3.7Å; W173-F484 HydrophobicContact CH2-CD2 3.7Å; W173-F484 AromaticContact CH2-CE1 3.88Å; W173-F484 HydrophobicContact CH2-CE1 3.88Å; W173-F484 AromaticContact CH2-CE2 3.73Å; W173-F484 HydrophobicContact CH2-CE2 3.73Å; W173-F484 AromaticContact CH2-CG 3.74Å; W173-F484 HydrophobicContact CH2-CG 3.74Å; W173-F484 AromaticContact CH2-CZ 3.84Å; W173-F484 HydrophobicContact CH2-CZ 3.84Å; W173-F484 HydrophobicContact CZ2-CD2 4.34Å; W173-F484 HydrophobicContact CZ2-CG 4.41Å; W173-F484 HydrophobicContact CZ3-CD2 4.4Å; W173-F484 HydrophobicContact CZ3-CE1 4.14Å; W173-F484 AromaticContact CZ3-CE2 3.96Å; W173-F484 HydrophobicContact CZ3-CE2 3.96Å; W173-F484 AromaticContact CZ3-CZ 3.84Å; W173-F484 HydrophobicContact CZ3-CZ 3.84Å
174	A	97	Very high	96	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-39.7	177.1	0	0	0	0	0	112.5	I170 L171 Y177 L178 F400 F421 L424	I170-A174 PolarHBondContact O-N 3.43Å; L171-A174 PolarHBondContact O-N 2.89Å; A174-Y177 PolarHBondContact O-N 3.45Å; A174-L178 VanDerWaalsContact O-CB 3.32Å; A174-L178 WeakPolarHBondContact O-CB 3.16Å; A174-L178 PolarHBondContact O-N 3.25Å; A174-F400 HydrophobicContact CB-CE1 4.3Å; A174-F400 HydrophobicContact CB-CZ 4.33Å; A174-F421 HydrophobicContact CB-CD1 4.46Å; A174-L424 HydrophobicContact CB-CB 4.38Å
175	T	98.1	Very high	95.7	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-41.2	175.1	-64.1	0	0	0	0	111.5	L171 A172 W173 L178 F179 C252 L255 V256 L425	L171-T175 WeakPolarHBondContact O-CB 3.33Å; L171-T175 PolarHBondContact O-N 2.74Å; L171-T175 PolarHBondContact O-OG1 2.95Å; A172-T175 PolarHBondContact O-N 2.85Å; W173-T175 VanDerWaalsContact C-N 3.32Å; W173-T175 PolarHBondContact O-N 3.41Å; T175-L178 WeakPolarHBondContact O-CB 3.32Å; T175-L178 PolarHBondContact O-N 3.26Å; T175-F179 HydrophobicContact CG2-CD2 4.06Å; T175-F179 HydrophobicContact CG2-CE2 3.5Å; T175-F179 VanDerWaalsContact CG2-CE2 3.5Å; T175-F179 HydrophobicContact CG2-CZ 3.79Å; T175-F179 WeakPolarHBondContact O-CD2 3.24Å; T175-F179 WeakPolarHBondContact O-CG 3.04Å; T175-F179 PolarHBondContact O-N 3.46Å; T175-C252 HydrophobicContact CG2-CB 4.09Å; T175-L255 HydrophobicContact CG2-CD2 4.09Å; T175-V256 WeakPolarHBondContact OG1-CG2 3.13Å; T175-L425 WeakPolarHBondContact OG1-CD1 3.39Å
176	Y	97.9	Very high	95.6	Very high	13 Å²	13	36.4 Å²	36.4	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-50.2	174.3	-177.4	-91.6	0	0	0	111.4	A172 W173 L178 F179 Q180 F227 N231 V232 D248 L249	A172-Y176 PolarHBondContact O-N 3.24Å; W173-Y176 WeakPolarHBondContact O-CB 3.47Å; W173-Y176 PolarHBondContact O-N 2.83Å; Y176-L178 VanDerWaalsContact C-N 3.3Å; Y176-L178 PolarHBondContact O-N 3.36Å; Y176-F179 PolarHBondContact O-N 3.37Å; Y176-Q180 HydrophobicContact CD1-CG 4Å; Y176-Q180 HydrophobicContact CE1-CG 3.68Å; Y176-Q180 VanDerWaalsContact O-CG 3.26Å; Y176-Q180 WeakPolarHBondContact O-CG 3.38Å; Y176-Q180 PolarHBondContact O-N 2.83Å; Y176-Q180 PolarHBondContact OH-NE2 2.9Å; Y176-Q180 VanDerWaalsContact OH-NE2 3.17Å; Y176-F227 HydrophobicContact CE1-CZ 4.01Å; Y176-N231 PolarHBondContact OH-ND2 3.08Å; Y176-N231 VanDerWaalsContact OH-ND2 3.13Å; Y176-V232 HydrophobicContact CD1-CG1 4.15Å; Y176-V232 HydrophobicContact CD1-CG2 3.97Å; Y176-V232 HydrophobicContact CE1-CB 4.32Å; Y176-V232 HydrophobicContact CE1-CG1 4.34Å; Y176-V232 HydrophobicContact CE1-CG2 3.59Å; Y176-D248 HydrophobicContact CD2-CB 4.14Å; Y176-D248 HydrophobicContact CE2-CB 3.73Å; Y176-L249 HydrophobicContact CD2-CD2 3.9Å; Y176-L249 HydrophobicContact CG-CD2 3.78Å
177	Y	97.7	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-35.8	176.8	-89.8	-100.7	0	0	0	112.9	W173 A174 Q180 S181 W188 F227 W228 V232 F400 P404 F421	W173-Y177 WeakPolarHBondContact O-CD2 3.25Å; W173-Y177 PolarHBondContact O-N 2.99Å; A174-Y177 PolarHBondContact O-N 3.45Å; Y177-Q180 CarbonylContact O-C 3.6Å; Y177-Q180 PolarHBondContact O-N 2.84Å; Y177-S181 WeakPolarHBondContact O-CB 3.46Å; Y177-S181 PolarHBondContact O-N 2.68Å; Y177-S181 PolarHBondContact O-OG 3.06Å; Y177-W188 HydrophobicContact CD1-CE3 4.03Å; Y177-W188 AromaticContact CD1-CH2 3.76Å; Y177-W188 HydrophobicContact CD1-CH2 3.76Å; Y177-W188 HydrophobicContact CD1-CZ2 4.34Å; Y177-W188 AromaticContact CD1-CZ3 3.58Å; Y177-W188 HydrophobicContact CD1-CZ3 3.58Å; Y177-W188 HydrophobicContact CE1-CD2 4.38Å; Y177-W188 HydrophobicContact CE1-CE3 4.02Å; Y177-W188 HydrophobicContact CE1-CH2 4.46Å; Y177-W188 HydrophobicContact CE1-CZ3 4.06Å; Y177-W188 HydrophobicContact CG-CZ3 4.47Å; Y177-F227 HydrophobicContact CD1-CE1 4.19Å; Y177-F227 AromaticContact CE1-CD1 3.99Å; Y177-F227 HydrophobicContact CE1-CD1 3.99Å; Y177-F227 AromaticContact CE1-CE1 3.65Å; Y177-F227 HydrophobicContact CE1-CE1 3.65Å; Y177-F227 HydrophobicContact CE2-CE1 4.14Å; Y177-F227 AromaticContact CZ-CD1 3.86Å; Y177-F227 AromaticContact CZ-CE1 3.62Å; Y177-W228 AromaticContact CE2-CE3 3.82Å; Y177-W228 HydrophobicContact CE2-CE3 3.82Å; Y177-W228 AromaticContact CE2-CZ3 3.91Å; Y177-W228 HydrophobicContact CE2-CZ3 3.91Å; Y177-V232 HydrophobicContact CE2-CG1 4.27Å; Y177-V232 HydrophobicContact CE2-CG2 3.82Å; Y177-F400 AromaticContact CD2-CD1 3.65Å; Y177-F400 HydrophobicContact CD2-CD1 3.65Å; Y177-F400 HydrophobicContact CD2-CE1 4.1Å; Y177-F400 HydrophobicContact CE2-CB 4.2Å; Y177-F400 AromaticContact CE2-CD1 3.62Å; Y177-F400 HydrophobicContact CE2-CD1 3.62Å; Y177-F400 HydrophobicContact CE2-CE1 4.44Å; Y177-F400 HydrophobicContact CE2-CG 4.25Å; Y177-F400 HydrophobicContact CG-CD1 4.17Å; Y177-F400 PolarHBondContact OH-O 2.9Å; Y177-P404 HydrophobicContact CE1-CG 4.21Å; Y177-F421 VanDerWaalsContact CB-CE1 3.44Å; Y177-F421 VanDerWaalsContact CB-CZ 3.44Å; Y177-F421 AromaticContact CD1-CE1 3.9Å; Y177-F421 HydrophobicContact CD1-CE1 3.9Å; Y177-F421 AromaticContact CD1-CE2 3.68Å; Y177-F421 HydrophobicContact CD1-CE2 3.68Å; Y177-F421 AromaticContact CD1-CZ 3.21Å; Y177-F421 HydrophobicContact CD1-CZ 3.21Å; Y177-F421 HydrophobicContact CE1-CZ 4.04Å; Y177-F421 HydrophobicContact CG-CD1 4.42Å; Y177-F421 AromaticContact CG-CE1 3.73Å; Y177-F421 HydrophobicContact CG-CE1 3.73Å; Y177-F421 HydrophobicContact CG-CE2 4.08Å; Y177-F421 AromaticContact CG-CZ 3.52Å; Y177-F421 HydrophobicContact CG-CZ 3.52Å
178	L	97.3	Very high	95.5	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	16%	0.158	C	C	.	.	H	α-helix	trans	-61.5	-47	174.4	178.4	58.2	0	0	0	111	A174 T175 Y176 Q180 S181 F182 I418 F421 I422 L425	A174-L178 VanDerWaalsContact O-CB 3.32Å; A174-L178 WeakPolarHBondContact O-CB 3.16Å; A174-L178 PolarHBondContact O-N 3.25Å; T175-L178 WeakPolarHBondContact O-CB 3.32Å; T175-L178 PolarHBondContact O-N 3.26Å; Y176-L178 VanDerWaalsContact C-N 3.3Å; Y176-L178 PolarHBondContact O-N 3.36Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 2.94Å; L178-S181 WeakPolarHBondContact O-CB 3.27Å; L178-S181 PolarHBondContact O-N 2.97Å; L178-S181 VanDerWaalsContact O-N 3.1Å; L178-F182 HydrophobicContact CD1-CE2 3.93Å; L178-F182 HydrophobicContact CD1-CZ 4.25Å; L178-F182 HydrophobicContact CG-CE2 4.04Å; L178-F182 WeakPolarHBondContact O-CD2 3.48Å; L178-F182 WeakPolarHBondContact O-CE2 3.24Å; L178-I418 HydrophobicContact CD1-CG2 4.16Å; L178-F421 HydrophobicContact CB-CB 3.98Å; L178-F421 HydrophobicContact CD1-CB 4.35Å; L178-I422 HydrophobicContact CD1-CD1 4.44Å; L178-I422 HydrophobicContact CD1-CG1 3.84Å; L178-I422 HydrophobicContact CD2-CG1 4.02Å; L178-L425 HydrophobicContact CD2-CD2 4.37Å
179	F	97.4	Very high	95.2	Very high	109 Å²	109	36 Å²	36	48%	0.478	17%	0.167	S	C	.	.	H	α-helix	trans	-62.3	-41.1	175.5	-66.6	-30.9	0	0	0	112.5	T175 Y176 S181 F182 L255	T175-F179 HydrophobicContact CG2-CD2 4.06Å; T175-F179 HydrophobicContact CG2-CE2 3.5Å; T175-F179 VanDerWaalsContact CG2-CE2 3.5Å; T175-F179 HydrophobicContact CG2-CZ 3.79Å; T175-F179 WeakPolarHBondContact O-CD2 3.24Å; T175-F179 WeakPolarHBondContact O-CG 3.04Å; T175-F179 PolarHBondContact O-N 3.46Å; Y176-F179 PolarHBondContact O-N 3.37Å; F179-S181 PolarHBondContact O-N 3.24Å; F179-F182 PolarHBondContact O-N 3.43Å; F179-L255 HydrophobicContact CE2-CD2 4.11Å; F179-L255 HydrophobicContact CZ-CD2 3.65Å
180	Q	96.3	Very high	94.9	Very high	40 Å²	40	39.2 Å²	39.2	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-20.1	175.8	-64.8	-65.6	-1	0	0	113.2	Y176 Y177 L178 F182 Q183 P187 W188 F227	Y176-Q180 HydrophobicContact CD1-CG 4Å; Y176-Q180 HydrophobicContact CE1-CG 3.68Å; Y176-Q180 VanDerWaalsContact O-CG 3.26Å; Y176-Q180 WeakPolarHBondContact O-CG 3.38Å; Y176-Q180 PolarHBondContact O-N 2.83Å; Y176-Q180 PolarHBondContact OH-NE2 2.9Å; Y176-Q180 VanDerWaalsContact OH-NE2 3.17Å; Y177-Q180 CarbonylContact O-C 3.6Å; Y177-Q180 PolarHBondContact O-N 2.84Å; L178-Q180 VanDerWaalsContact C-N 3.33Å; L178-Q180 PolarHBondContact O-N 2.94Å; Q180-F182 VanDerWaalsContact C-N 3.31Å; Q180-F182 PolarHBondContact O-N 2.99Å; Q180-Q183 WeakPolarHBondContact O-CG 3.2Å; Q180-P187 HydrophobicContact CB-CG 4.24Å; Q180-P187 WeakPolarHBondContact O-CD 3.31Å; Q180-W188 HydrophobicContact CB-CZ3 3.95Å; Q180-F227 HydrophobicContact CB-CZ 4.45Å; Q180-F227 HydrophobicContact CG-CZ 4.2Å
181	S	96.6	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-13.5	176.8	-59.3	0	0	0	0	113.6	Y177 L178 F179 Q183 T414 S417	Y177-S181 WeakPolarHBondContact O-CB 3.46Å; Y177-S181 PolarHBondContact O-N 2.68Å; Y177-S181 PolarHBondContact O-OG 3.06Å; L178-S181 WeakPolarHBondContact O-CB 3.27Å; L178-S181 PolarHBondContact O-N 2.97Å; L178-S181 VanDerWaalsContact O-N 3.1Å; F179-S181 PolarHBondContact O-N 3.24Å; S181-Q183 PolarHBondContact O-N 2.93Å; S181-Q183 VanDerWaalsContact O-N 3.16Å; S181-T414 WeakPolarHBondContact O-CG2 3.45Å; S181-S417 PolarHBondContact OG-OG 3.41Å
182	F	94.8	Very high	94.2	Very high	134 Å²	134	47.2 Å²	47.2	59%	0.588	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	22.3	178.3	-70.5	-73.7	0	0	0	113.9	L178 F179 Q180 I418	L178-F182 HydrophobicContact CD1-CE2 3.93Å; L178-F182 HydrophobicContact CD1-CZ 4.25Å; L178-F182 HydrophobicContact CG-CE2 4.04Å; L178-F182 WeakPolarHBondContact O-CD2 3.48Å; L178-F182 WeakPolarHBondContact O-CE2 3.24Å; F179-F182 PolarHBondContact O-N 3.43Å; Q180-F182 VanDerWaalsContact C-N 3.31Å; Q180-F182 PolarHBondContact O-N 2.99Å; F182-I418 HydrophobicContact CD1-CD1 3.86Å; F182-I418 HydrophobicContact CE1-CD1 3.72Å; F182-I418 HydrophobicContact CE1-CG1 4.25Å; F182-I418 HydrophobicContact CE1-CG2 4.5Å; F182-I418 HydrophobicContact CZ-CD1 4.4Å; F182-I418 HydrophobicContact CZ-CG1 4.46Å; F182-I418 HydrophobicContact CZ-CG2 4.34Å
183	Q	91.3	Very high	93.9	Very high	86 Å²	86	50.3 Å²	50.3	40%	0.402	24%	0.241	S	C	.	.	S	Bend	trans	-98.3	158.1	175.8	-60.3	-168.8	33.6	0	0	111.5	Q180 S181 E185	Q180-Q183 WeakPolarHBondContact O-CG 3.2Å; S181-Q183 PolarHBondContact O-N 2.93Å; S181-Q183 VanDerWaalsContact O-N 3.16Å; Q183-E185 VanDerWaalsContact C-N 3.29Å; Q183-E185 VanDerWaalsContact CB-O 3.31Å; Q183-E185 WeakPolarHBondContact CB-O 3.44Å; Q183-E185 PolarHBondContact O-N 3.48Å
184	K	87.1	Confident	93.7	Very high	189 Å²	189	56 Å²	56	82%	0.822	28%	0.281	S	S	*	.	S	Bend	trans	-60.9	-41.6	177.3	-177.4	-175.1	172.9	-166.5	0	111.5
185	E	90.4	Very high	93.6	Very high	116 Å²	116	58.2 Å²	58.2	54%	0.542	29%	0.289	S	S	.	.	S	Bend	trans	-120.7	141	175.5	-71	170.3	-165.8	0	0	107.9	Q183	Q183-E185 VanDerWaalsContact C-N 3.29Å; Q183-E185 VanDerWaalsContact CB-O 3.31Å; Q183-E185 WeakPolarHBondContact CB-O 3.44Å; Q183-E185 PolarHBondContact O-N 3.48Å
186	L	93.6	Very high	93.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	29%	0.294	C	S	.	.			trans	-72.1	131.1	-178.5	-66.2	177.3	0	0	0	109.8	W188 A189 V407 T408 P413	L186-W188 HydrophobicContact CB-CD2 4.28Å; L186-W188 HydrophobicContact CB-CZ2 4.17Å; L186-W188 HydrophobicContact CD1-CZ2 3.91Å; L186-W188 HydrophobicContact CD2-CH2 4.07Å; L186-W188 HydrophobicContact CD2-CZ2 3.79Å; L186-W188 HydrophobicContact CG-CZ2 4.18Å; L186-W188 PolarHBondContact O-N 3.21Å; L186-A189 HydrophobicContact CB-CB 4.36Å; L186-A189 VanDerWaalsContact O-CB 3.23Å; L186-A189 WeakPolarHBondContact O-CB 3.35Å; L186-A189 PolarHBondContact O-N 3.04Å; L186-V407 HydrophobicContact CD1-CG1 4.12Å; L186-T408 HydrophobicContact CD1-CG2 4.14Å; L186-P413 HydrophobicContact CD1-CB 3.81Å
187	P	93.7	Very high	93.1	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.019	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.5	-175.7	-28.3	37.1	0	0	0	115.8	Q180 H193 W195 F227	Q180-P187 HydrophobicContact CB-CG 4.24Å; Q180-P187 WeakPolarHBondContact O-CD 3.31Å; P187-H193 PolarHBondContact O-CD2 3.16Å; P187-H193 PolarHBondContact O-NE2 3.39Å; P187-W195 HydrophobicContact CB-CH2 4.47Å; P187-W195 HydrophobicContact CB-CZ2 4.24Å; P187-F227 HydrophobicContact CB-CD2 4.11Å; P187-F227 HydrophobicContact CB-CE2 3.61Å; P187-F227 HydrophobicContact CB-CZ 4.25Å
188	W	94	Very high	92.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	6.3	177.7	55.1	83.5	0	0	0	113.2	Y177 Q180 L186 V224 F227 P404 T408 S417 F421	Y177-W188 HydrophobicContact CD1-CE3 4.03Å; Y177-W188 AromaticContact CD1-CH2 3.76Å; Y177-W188 HydrophobicContact CD1-CH2 3.76Å; Y177-W188 HydrophobicContact CD1-CZ2 4.34Å; Y177-W188 AromaticContact CD1-CZ3 3.58Å; Y177-W188 HydrophobicContact CD1-CZ3 3.58Å; Y177-W188 HydrophobicContact CE1-CD2 4.38Å; Y177-W188 HydrophobicContact CE1-CE3 4.02Å; Y177-W188 HydrophobicContact CE1-CH2 4.46Å; Y177-W188 HydrophobicContact CE1-CZ3 4.06Å; Y177-W188 HydrophobicContact CG-CZ3 4.47Å; Q180-W188 HydrophobicContact CB-CZ3 3.95Å; L186-W188 HydrophobicContact CB-CD2 4.28Å; L186-W188 HydrophobicContact CB-CZ2 4.17Å; L186-W188 HydrophobicContact CD1-CZ2 3.91Å; L186-W188 HydrophobicContact CD2-CH2 4.07Å; L186-W188 HydrophobicContact CD2-CZ2 3.79Å; L186-W188 HydrophobicContact CG-CZ2 4.18Å; L186-W188 PolarHBondContact O-N 3.21Å; W188-V224 HydrophobicContact CB-CB 4.38Å; W188-V224 HydrophobicContact CB-CG1 4.26Å; W188-V224 HydrophobicContact CB-CG2 4.14Å; W188-V224 HydrophobicContact CG-CG1 4.49Å; W188-V224 HydrophobicContact CG-CG2 4.48Å; W188-V224 WeakPolarHBondContact O-CG2 3.31Å; W188-F227 HydrophobicContact CB-CB 3.87Å; W188-F227 HydrophobicContact CB-CD1 3.96Å; W188-F227 HydrophobicContact CB-CG 3.86Å; W188-F227 HydrophobicContact CD2-CE1 4.48Å; W188-F227 AromaticContact CE3-CD1 3.93Å; W188-F227 HydrophobicContact CE3-CD1 3.93Å; W188-F227 AromaticContact CE3-CE1 3.51Å; W188-F227 HydrophobicContact CE3-CE1 3.51Å; W188-F227 HydrophobicContact CE3-CE2 4.44Å; W188-F227 AromaticContact CE3-CZ 3.8Å; W188-F227 HydrophobicContact CE3-CZ 3.8Å; W188-F227 HydrophobicContact CZ3-CE1 4.04Å; W188-F227 HydrophobicContact CZ3-CZ 4.19Å; W188-P404 HydrophobicContact CD2-CB 4.45Å; W188-P404 HydrophobicContact CG-CB 4.46Å; W188-P404 HydrophobicContact CZ2-CB 4.3Å; W188-P404 PolarHBondContact NE1-O 3.44Å; W188-T408 VanDerWaalsContact CD1-CG2 3.45Å; W188-S417 VanDerWaalsContact CZ2-OG 3.29Å; W188-S417 WeakPolarHBondContact CZ2-OG 3.48Å; W188-F421 HydrophobicContact CH2-CE2 4.08Å; W188-F421 HydrophobicContact CZ2-CE2 4.14Å
189	A	90.8	Very high	92.1	Very high	24 Å²	24	70 Å²	70	20%	0.198	36%	0.357	C	S	.	.	S	Bend	trans	-79.5	-29.9	178.1	0	0	0	0	0	113.1	L186 T408	L186-A189 HydrophobicContact CB-CB 4.36Å; L186-A189 VanDerWaalsContact O-CB 3.23Å; L186-A189 WeakPolarHBondContact O-CB 3.35Å; L186-A189 PolarHBondContact O-N 3.04Å; A189-T408 HydrophobicContact CB-CG2 4.04Å
190	H	89.3	Confident	91.6	Very high	69 Å²	69	65.6 Å²	65.6	32%	0.319	34%	0.34	S	S	.	.			trans	-128.2	159.7	-169.5	-64.6	-63.4	0	0	0	112.8	H193 E202 P223	H190-H193 PolarHBondContact O-CD2 3.13Å; H190-E202 WeakPolarHBondContact CA-OE1 3.3Å; H190-E202 WeakPolarHBondContact CB-OE1 3.36Å; H190-E202 IonicContact CG-OE1 3.13Å; H190-E202 IonicContact ND1-OE1 2.85Å; H190-E202 PolarHBondContact ND1-OE1 3.32Å; H190-E202 IonicContact ND1-OE2 3.84Å; H190-E202 PolarHBondContact ND1-OE2 2.94Å; H190-P223 WeakPolarHBondContact O-CB 3.44Å
191	C	89	Confident	91	Very high	29 Å²	29	65.2 Å²	65.2	20%	0.196	34%	0.339	C	S	.	.	S	Bend	trans	-94.3	8.6	178.6	-73.1	0	0	0	0	113.9	H193 N196 C200 M201 E202	C191-H193 PolarHBondContact O-N 3.27Å; C191-N196 WeakPolarHBondContact CA-OD1 3.39Å; C191-N196 VanDerWaalsContact O-CB 3.23Å; C191-N196 WeakPolarHBondContact O-CB 3.36Å; C191-N196 PolarHBondContact O-OD1 3.17Å; C191-N196 VanDerWaalsContact O-OD1 3.07Å; C191-C200 VanDerWaalsContact CA-SG 3.58Å; C191-C200 HydrophobicContact CB-CB 3.64Å; C191-C200 WeakPolarHBondContact CB-SG 3.41Å; C191-C200 WeakPolarHBondContact SG-CB 3.41Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 2.89Å; C191-M201 PolarHBondContact SG-N 2.87Å; C191-M201 VanDerWaalsContact SG-N 3.39Å; C191-E202 HydrophobicContact CB-CG 4.25Å; C191-E202 PolarHBondContact N-OE1 3.07Å
192	N	90.1	Very high	90.3	Very high	147 Å²	147	67.3 Å²	67.3	79%	0.786	35%	0.349	S	S	*	.			trans	-97.3	53.5	-173.6	-168.4	25	0	0	0	112.8
193	H	92.4	Very high	89	Confident	66 Å²	66	62.2 Å²	62.2	31%	0.306	33%	0.328	S	S	.	.	S	Bend	trans	-128.3	161.2	177.5	-59.6	-75.4	0	0	0	112.4	P187 H190 C191 W195 N196	P187-H193 PolarHBondContact O-CD2 3.16Å; P187-H193 PolarHBondContact O-NE2 3.39Å; H190-H193 PolarHBondContact O-CD2 3.13Å; C191-H193 PolarHBondContact O-N 3.27Å; H193-W195 HydrophobicContact CB-CD2 3.59Å; H193-W195 HydrophobicContact CB-CE3 3.92Å; H193-W195 HydrophobicContact CB-CG 4.24Å; H193-W195 HydrophobicContact CB-CH2 3.7Å; H193-W195 HydrophobicContact CB-CZ2 3.33Å; H193-W195 HydrophobicContact CB-CZ3 3.97Å; H193-W195 AromaticContact CD2-CZ2 3.55Å; H193-W195 AromaticContact CG-CE2 3.67Å; H193-W195 AromaticContact CG-CH2 3.6Å; H193-W195 AromaticContact CG-CZ2 3.21Å; H193-W195 AromaticContact ND1-CH2 3.59Å; H193-W195 AromaticContact ND1-CZ2 3.65Å; H193-W195 PolarHBondContact O-N 3.4Å; H193-N196 VanDerWaalsContact CB-OD1 3.32Å; H193-N196 WeakPolarHBondContact CB-OD1 3.42Å; H193-N196 PolarHBondContact N-OD1 3.12Å; H193-N196 VanDerWaalsContact N-OD1 3.09Å; H193-N196 WeakPolarHBondContact O-CB 3.37Å; H193-N196 PolarHBondContact O-N 3.34Å
194	S	93.9	Very high	87.8	Confident	119 Å²	119	62.7 Å²	62.7	83%	0.832	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.1	-177.8	55	0	0	0	0	113.9
195	W	93.5	Very high	86.4	Confident	50 Å²	50	58.9 Å²	58.9	19%	0.189	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5	176.8	56.8	80.7	0	0	0	113.5	P187 H193 F227 R230 N231	P187-W195 HydrophobicContact CB-CH2 4.47Å; P187-W195 HydrophobicContact CB-CZ2 4.24Å; H193-W195 HydrophobicContact CB-CD2 3.59Å; H193-W195 HydrophobicContact CB-CE3 3.92Å; H193-W195 HydrophobicContact CB-CG 4.24Å; H193-W195 HydrophobicContact CB-CH2 3.7Å; H193-W195 HydrophobicContact CB-CZ2 3.33Å; H193-W195 HydrophobicContact CB-CZ3 3.97Å; H193-W195 AromaticContact CD2-CZ2 3.55Å; H193-W195 AromaticContact CG-CE2 3.67Å; H193-W195 AromaticContact CG-CH2 3.6Å; H193-W195 AromaticContact CG-CZ2 3.21Å; H193-W195 AromaticContact ND1-CH2 3.59Å; H193-W195 AromaticContact ND1-CZ2 3.65Å; H193-W195 PolarHBondContact O-N 3.4Å; W195-F227 AromaticContact CE2-CD2 3.96Å; W195-F227 AromaticContact CZ2-CD2 3.82Å; W195-F227 HydrophobicContact CZ2-CD2 3.82Å; W195-F227 HydrophobicContact CZ2-CE2 4.15Å; W195-F227 AromaticContact NE1-CD2 3.99Å; W195-R230 HydrophobicContact CB-CB 4.34Å; W195-R230 WeakPolarHBondContact O-CD 3.15Å; W195-R230 PolarHBondContact O-NH1 3.47Å; W195-N231 HydrophobicContact CB-CB 4.01Å; W195-N231 HydrophobicContact CD2-CB 3.68Å; W195-N231 HydrophobicContact CE3-CB 4.12Å; W195-N231 HydrophobicContact CG-CB 3.63Å
196	N	94.4	Very high	84.9	Confident	22 Å²	22	57.5 Å²	57.5	12%	0.118	31%	0.313	C	S	.	.			trans	-81.3	150.6	-178	-69.1	124.2	0	0	0	112.9	C191 H193 C200 E226	C191-N196 WeakPolarHBondContact CA-OD1 3.39Å; C191-N196 VanDerWaalsContact O-CB 3.23Å; C191-N196 WeakPolarHBondContact O-CB 3.36Å; C191-N196 PolarHBondContact O-OD1 3.17Å; C191-N196 VanDerWaalsContact O-OD1 3.07Å; H193-N196 VanDerWaalsContact CB-OD1 3.32Å; H193-N196 WeakPolarHBondContact CB-OD1 3.42Å; H193-N196 PolarHBondContact N-OD1 3.12Å; H193-N196 VanDerWaalsContact N-OD1 3.09Å; H193-N196 WeakPolarHBondContact O-CB 3.37Å; H193-N196 PolarHBondContact O-N 3.34Å; N196-C200 HydrophobicContact CB-CB 4.22Å; N196-C200 PolarHBondContact ND2-SG 3.36Å; N196-E226 WeakPolarHBondContact CA-OE2 3.48Å; N196-E226 WeakPolarHBondContact CB-OE2 3.28Å; N196-E226 PolarHBondContact ND2-OE2 2.9Å
197	T	91.4	Very high	83.2	Confident	35 Å²	35	63.2 Å²	63.2	22%	0.215	34%	0.337	C	S	.	.			trans	-96.2	164.1	171.6	74.9	0	0	0	0	111.4	H199 C200 E226 R230	T197-H199 PolarHBondContact O-N 2.92Å; T197-H199 VanDerWaalsContact O-N 3.08Å; T197-H199 WeakPolarHBondContact OG1-CB 3.47Å; T197-H199 PolarHBondContact OG1-N 3.49Å; T197-H199 VanDerWaalsContact OG1-N 3.08Å; T197-C200 VanDerWaalsContact O-CB 3.3Å; T197-C200 WeakPolarHBondContact O-CB 3.15Å; T197-C200 PolarHBondContact O-N 3.19Å; T197-C200 PolarHBondContact OG1-N 3.23Å; T197-E226 WeakPolarHBondContact CB-OE1 3.08Å; T197-E226 PolarHBondContact N-OE2 2.9Å; T197-E226 PolarHBondContact OG1-OE1 3.49Å; T197-R230 VanDerWaalsContact CG2-CZ 3.41Å
198	P	87.2	Confident	81.7	Confident	127 Å²	127	67.5 Å²	67.5	83%	0.825	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-13.5	168.1	-23	34.8	0	0	0	114.2
199	H	86	Confident	79.9	Confident	99 Å²	99	76 Å²	76	46%	0.458	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	1.6	176.4	-57.5	-64.7	0	0	0	113.1	T197 F220 T221	T197-H199 PolarHBondContact O-N 2.92Å; T197-H199 VanDerWaalsContact O-N 3.08Å; T197-H199 WeakPolarHBondContact OG1-CB 3.47Å; T197-H199 PolarHBondContact OG1-N 3.49Å; T197-H199 VanDerWaalsContact OG1-N 3.08Å; H199-F220 WeakPolarHBondContact O-CA 3.21Å; H199-F220 VanDerWaalsContact O-CD1 3.28Å; H199-F220 WeakPolarHBondContact O-CD1 3.39Å; H199-T221 PolarHBondContact O-N 3.13Å; H199-T221 PolarHBondContact O-OG1 3.07Å
200	C	87.7	Confident	78.3	Confident	17 Å²	17	79.3 Å²	79.3	12%	0.115	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-70.5	129.6	172.5	-169.1	0	0	0	0	110.4	C191 N196 T197 T221 E226	C191-C200 VanDerWaalsContact CA-SG 3.58Å; C191-C200 HydrophobicContact CB-CB 3.64Å; C191-C200 WeakPolarHBondContact CB-SG 3.41Å; C191-C200 WeakPolarHBondContact SG-CB 3.41Å; C191-C200 CovalentContact SG-SG 2.04Å; C191-C200 PolarHBondContact SG-SG 2.89Å; N196-C200 HydrophobicContact CB-CB 4.22Å; N196-C200 PolarHBondContact ND2-SG 3.36Å; T197-C200 VanDerWaalsContact O-CB 3.3Å; T197-C200 WeakPolarHBondContact O-CB 3.15Å; T197-C200 PolarHBondContact O-N 3.19Å; T197-C200 PolarHBondContact OG1-N 3.23Å; C200-T221 WeakPolarHBondContact CA-O 3.32Å; C200-E226 VanDerWaalsContact CB-OE2 3.31Å; C200-E226 WeakPolarHBondContact CB-OE2 3.42Å
201	M	84	Confident	76.7	Confident	33 Å²	33	79.3 Å²	79.3	16%	0.163	42%	0.424	C	S	.	.			trans	-129.5	129.1	176.7	-171.3	179.3	-72.7	0	0	111.7	C191 M205 I215 F220 T221 P223	C191-M201 PolarHBondContact SG-N 2.87Å; C191-M201 VanDerWaalsContact SG-N 3.39Å; M201-M205 HydrophobicContact CG-CB 4.49Å; M201-I215 HydrophobicContact CE-CD1 3.29Å; M201-I215 HydrophobicContact CE-CG1 3.72Å; M201-I215 HydrophobicContact CE-CG2 4.05Å; M201-I215 HydrophobicContact SD-CD1 3.81Å; M201-I215 HydrophobicContact SD-CG2 4.44Å; M201-F220 HydrophobicContact CB-CB 4.21Å; M201-F220 HydrophobicContact CB-CD1 4.11Å; M201-F220 HydrophobicContact CB-CG 4.37Å; M201-F220 HydrophobicContact CE-CB 4.4Å; M201-F220 HydrophobicContact CE-CD1 3.49Å; M201-F220 VanDerWaalsContact CE-CD1 3.49Å; M201-F220 HydrophobicContact CE-CD2 3.68Å; M201-F220 HydrophobicContact CE-CE1 3.49Å; M201-F220 VanDerWaalsContact CE-CE1 3.49Å; M201-F220 HydrophobicContact CE-CE2 3.62Å; M201-F220 HydrophobicContact CE-CG 3.6Å; M201-F220 HydrophobicContact CE-CZ 3.55Å; M201-F220 HydrophobicContact SD-CG 4.46Å; M201-T221 PolarHBondContact N-O 3.17Å; M201-P223 VanDerWaalsContact O-CD 3.24Å; M201-P223 WeakPolarHBondContact O-CD 3.39Å
202	E	81.4	Confident	75	Confident	44 Å²	44	83 Å²	83	21%	0.206	43%	0.434	C	S	.	.			trans	-72.8	140	173.8	-60.5	-172.6	177.4	0	0	111.5	H190 C191 T204 M205	H190-E202 WeakPolarHBondContact CA-OE1 3.3Å; H190-E202 WeakPolarHBondContact CB-OE1 3.36Å; H190-E202 IonicContact CG-OE1 3.13Å; H190-E202 IonicContact ND1-OE1 2.85Å; H190-E202 PolarHBondContact ND1-OE1 3.32Å; H190-E202 IonicContact ND1-OE2 3.84Å; H190-E202 PolarHBondContact ND1-OE2 2.94Å; C191-E202 HydrophobicContact CB-CG 4.25Å; C191-E202 PolarHBondContact N-OE1 3.07Å; E202-T204 PolarHBondContact O-N 3.04Å; E202-T204 VanDerWaalsContact O-N 3.16Å; E202-M205 PolarHBondContact O-N 3.36Å; E202-M205 VanDerWaalsContact O-N 3.08Å
203	D	67.9	Low	73.2	Confident	27 Å²	27	82.9 Å²	82.9	14%	0.144	43%	0.431	C	S	.	.	H	α-helix	trans	-62.4	-25	-178	-75.2	-33.2	0	0	0	113	R206 Q384 K405 M409	D203-R206 WeakPolarHBondContact O-CB 3.19Å; D203-R206 PolarHBondContact O-N 3.48Å; D203-Q384 PolarHBondContact OD2-NE2 3.49Å; D203-Q384 VanDerWaalsContact OD2-NE2 3.08Å; D203-K405 IonicContact OD1-NZ 2.74Å; D203-K405 WeakPolarHBondContact OD2-CE 3.44Å; D203-K405 IonicContact OD2-NZ 3.2Å; D203-M409 HydrophobicContact CB-CE 3.75Å; D203-M409 WeakPolarHBondContact OD2-CE 3.3Å
204	T	65.6	Low	71.3	Confident	96 Å²	96	85 Å²	85	59%	0.589	45%	0.449	S	S	*	.	H	α-helix	trans	-64.4	-37.8	175.2	46.9	0	0	0	0	112.3	E202 R206 K207	E202-T204 PolarHBondContact O-N 3.04Å; E202-T204 VanDerWaalsContact O-N 3.16Å; T204-R206 VanDerWaalsContact C-N 3.26Å; T204-R206 PolarHBondContact O-N 2.95Å; T204-K207 PolarHBondContact O-N 3.37Å
205	M	59.1	Low	69.3	Low	109 Å²	109	80.3 Å²	80.3	54%	0.537	41%	0.414	S	S	.	.	H	α-helix	trans	-72.5	-23.4	177.5	-64.1	-64.2	173.8	0	0	112	M201 E202 K207 N208	M201-M205 HydrophobicContact CG-CB 4.49Å; E202-M205 PolarHBondContact O-N 3.36Å; E202-M205 VanDerWaalsContact O-N 3.08Å; M205-K207 VanDerWaalsContact C-N 3.28Å; M205-K207 PolarHBondContact O-N 3.22Å; M205-N208 PolarHBondContact O-N 2.88Å
206	R	57.8	Low	67.4	Low	87 Å²	87	82.4 Å²	82.4	33%	0.328	44%	0.437	S	S	.	.	H	α-helix	trans	-65.7	-26.8	176.9	-153.7	175	-154.4	-161.7	5.3	113.1	D203 T204 N208	D203-R206 WeakPolarHBondContact O-CB 3.19Å; D203-R206 PolarHBondContact O-N 3.48Å; T204-R206 VanDerWaalsContact C-N 3.26Å; T204-R206 PolarHBondContact O-N 2.95Å; R206-N208 VanDerWaalsContact C-N 3.3Å; R206-N208 PolarHBondContact O-N 3.07Å
207	K	57.3	Low	65.2	Low	125 Å²	125	86.5 Å²	86.5	54%	0.543	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.7	178.5	-74.3	-177.2	174.7	179.2	0	113.7	T204 M205 K209 E383	T204-K207 PolarHBondContact O-N 3.37Å; M205-K207 VanDerWaalsContact C-N 3.28Å; M205-K207 PolarHBondContact O-N 3.22Å; K207-K209 PolarHBondContact O-N 3.09Å; K207-E383 WeakPolarHBondContact CE-O 3.44Å; K207-E383 PolarHBondContact NZ-O 3.26Å; K207-E383 IonicContact NZ-OE2 3.44Å; K207-E383 PolarHBondContact NZ-OE2 3.38Å
208	N	63.5	Low	63.5	Low	93 Å²	93	87.7 Å²	87.7	50%	0.497	47%	0.474	S	S	.	.			trans	-77.6	92.9	174.8	-93.4	-32.4	0	0	0	110.7	M205 R206 S210 V211 W212	M205-N208 PolarHBondContact O-N 2.88Å; R206-N208 VanDerWaalsContact C-N 3.3Å; R206-N208 PolarHBondContact O-N 3.07Å; N208-S210 PolarHBondContact O-N 2.94Å; N208-V211 HydrophobicContact CB-CG2 4.01Å; N208-V211 PolarHBondContact O-N 3.03Å; N208-W212 PolarHBondContact O-N 3.32Å
209	K	56.3	Low	62.6	Low	178 Å²	178	89.2 Å²	89.2	77%	0.774	48%	0.476	S	S	*	.	H	α-helix	trans	-51.4	-30.9	-178.8	-75.7	-176.1	175.8	-179.1	0	114.5	K207 V211 W212	K207-K209 PolarHBondContact O-N 3.09Å; K209-V211 VanDerWaalsContact C-N 3.33Å; K209-W212 PolarHBondContact O-N 2.93Å
210	S	57.1	Low	62.1	Low	94 Å²	94	88.1 Å²	88.1	66%	0.657	47%	0.469	S	S	*	.	H	α-helix	trans	-68	-29	178	42.3	0	0	0	0	113.5	N208	N208-S210 PolarHBondContact O-N 2.94Å
211	V	54.9	Low	61.9	Low	69 Å²	69	89.4 Å²	89.4	42%	0.418	48%	0.477	S	S	.	.	H	α-helix	trans	-84.6	-33.4	176.6	-165.8	0	0	0	0	109.7	N208 K209 I213 T214 I215	N208-V211 HydrophobicContact CB-CG2 4.01Å; N208-V211 PolarHBondContact O-N 3.03Å; K209-V211 VanDerWaalsContact C-N 3.33Å; V211-I213 PolarHBondContact O-N 3.15Å; V211-T214 PolarHBondContact O-N 3.08Å; V211-I215 HydrophobicContact CB-CD1 3.94Å; V211-I215 HydrophobicContact CG1-CD1 3.32Å; V211-I215 HydrophobicContact CG1-CG1 4.01Å; V211-I215 WeakPolarHBondContact O-CB 3.37Å; V211-I215 VanDerWaalsContact O-CD1 3.29Å; V211-I215 WeakPolarHBondContact O-CD1 3.46Å; V211-I215 WeakPolarHBondContact O-CG1 3.03Å; V211-I215 PolarHBondContact O-N 2.86Å; V211-I215 VanDerWaalsContact O-N 3.13Å
212	W	53.9	Low	62.1	Low	107 Å²	107	88.5 Å²	88.5	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-61.4	-36.1	-175.2	-138.5	93.7	0	0	0	114.7	N208 K209 T214 I215 S216	N208-W212 PolarHBondContact O-N 3.32Å; K209-W212 PolarHBondContact O-N 2.93Å; W212-T214 VanDerWaalsContact C-N 3.33Å; W212-T214 PolarHBondContact O-N 3.15Å; W212-I215 WeakPolarHBondContact O-CB 3.41Å; W212-I215 PolarHBondContact O-N 3.13Å; W212-S216 PolarHBondContact O-N 3.28Å
213	I	52.9	Low	62.5	Low	143 Å²	143	86.6 Å²	86.6	73%	0.733	47%	0.466	S	S	*	.	H	α-helix	trans	-67.7	-33.9	-179.9	-65	173.5	0	0	0	111.4	V211	V211-I213 PolarHBondContact O-N 3.15Å
214	T	51.4	Low	63.7	Low	111 Å²	111	85.4 Å²	85.4	68%	0.681	46%	0.459	S	S	*	.	H	α-helix	trans	-76.9	-28.4	174.4	-43.2	0	0	0	0	111.9	V211 W212 S217	V211-T214 PolarHBondContact O-N 3.08Å; W212-T214 VanDerWaalsContact C-N 3.33Å; W212-T214 PolarHBondContact O-N 3.15Å; T214-S217 PolarHBondContact O-OG 2.94Å
215	I	52.6	Low	64.8	Low	20 Å²	20	83 Å²	83	10%	0.103	44%	0.442	C	S	.	.	H	α-helix	trans	-74.9	-25.2	-176.2	-80.2	169.3	0	0	0	113.7	M201 V211 W212 S217 T218 F220	M201-I215 HydrophobicContact CE-CD1 3.29Å; M201-I215 HydrophobicContact CE-CG1 3.72Å; M201-I215 HydrophobicContact CE-CG2 4.05Å; M201-I215 HydrophobicContact SD-CD1 3.81Å; M201-I215 HydrophobicContact SD-CG2 4.44Å; V211-I215 HydrophobicContact CB-CD1 3.94Å; V211-I215 HydrophobicContact CG1-CD1 3.32Å; V211-I215 HydrophobicContact CG1-CG1 4.01Å; V211-I215 WeakPolarHBondContact O-CB 3.37Å; V211-I215 VanDerWaalsContact O-CD1 3.29Å; V211-I215 WeakPolarHBondContact O-CD1 3.46Å; V211-I215 WeakPolarHBondContact O-CG1 3.03Å; V211-I215 PolarHBondContact O-N 2.86Å; V211-I215 VanDerWaalsContact O-N 3.13Å; W212-I215 WeakPolarHBondContact O-CB 3.41Å; W212-I215 PolarHBondContact O-N 3.13Å; I215-S217 PolarHBondContact O-N 3.28Å; I215-T218 PolarHBondContact O-N 3.28Å; I215-T218 PolarHBondContact O-OG1 2.65Å; I215-F220 HydrophobicContact CB-CD2 4.46Å; I215-F220 HydrophobicContact CB-CE2 3.9Å; I215-F220 HydrophobicContact CG1-CE2 3.85Å; I215-F220 HydrophobicContact CG1-CZ 4.27Å; I215-F220 HydrophobicContact CG2-CD2 3.61Å; I215-F220 HydrophobicContact CG2-CE2 3.54Å
216	S	52.8	Low	66.5	Low	95 Å²	95	78.1 Å²	78.1	66%	0.664	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-9.8	-177.4	176.2	0	0	0	0	115.1	W212	W212-S216 PolarHBondContact O-N 3.28Å
217	S	47.8	Very low	68.3	Low	107 Å²	107	74 Å²	74	75%	0.748	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-7.6	-178.2	69.5	0	0	0	0	114.8	T214 I215	T214-S217 PolarHBondContact O-OG 2.94Å; I215-S217 PolarHBondContact O-N 3.28Å
218	T	55.6	Low	70.1	Confident	60 Å²	60	68.3 Å²	68.3	37%	0.368	38%	0.378	S	S	.	.	S	Bend	trans	-130.5	135.9	-176.8	45.8	0	0	0	0	111.8	I215 F220	I215-T218 PolarHBondContact O-N 3.28Å; I215-T218 PolarHBondContact O-OG1 2.65Å; T218-F220 WeakPolarHBondContact O-CD2 3.27Å; T218-F220 PolarHBondContact O-N 2.97Å; T218-F220 WeakPolarHBondContact OG1-CE2 3.22Å; T218-F220 WeakPolarHBondContact OG1-CZ 3.39Å
219	N	68.6	Low	71.5	Confident	160 Å²	160	66.3 Å²	66.3	86%	0.856	37%	0.365	S	S	*	.			trans	-71.6	92.5	177.3	-74.1	-17.3	0	0	0	110.6
220	F	75.9	Confident	73.3	Confident	75 Å²	75	63.2 Å²	63.2	33%	0.329	35%	0.349	S	S	.	.			trans	-83.7	148.5	174	-69	-82.5	0	0	0	112.1	H199 M201 I215 T218	H199-F220 WeakPolarHBondContact O-CA 3.21Å; H199-F220 VanDerWaalsContact O-CD1 3.28Å; H199-F220 WeakPolarHBondContact O-CD1 3.39Å; M201-F220 HydrophobicContact CB-CB 4.21Å; M201-F220 HydrophobicContact CB-CD1 4.11Å; M201-F220 HydrophobicContact CB-CG 4.37Å; M201-F220 HydrophobicContact CE-CB 4.4Å; M201-F220 HydrophobicContact CE-CD1 3.49Å; M201-F220 VanDerWaalsContact CE-CD1 3.49Å; M201-F220 HydrophobicContact CE-CD2 3.68Å; M201-F220 HydrophobicContact CE-CE1 3.49Å; M201-F220 VanDerWaalsContact CE-CE1 3.49Å; M201-F220 HydrophobicContact CE-CE2 3.62Å; M201-F220 HydrophobicContact CE-CG 3.6Å; M201-F220 HydrophobicContact CE-CZ 3.55Å; M201-F220 HydrophobicContact SD-CG 4.46Å; I215-F220 HydrophobicContact CB-CD2 4.46Å; I215-F220 HydrophobicContact CB-CE2 3.9Å; I215-F220 HydrophobicContact CG1-CE2 3.85Å; I215-F220 HydrophobicContact CG1-CZ 4.27Å; I215-F220 HydrophobicContact CG2-CD2 3.61Å; I215-F220 HydrophobicContact CG2-CE2 3.54Å; T218-F220 WeakPolarHBondContact O-CD2 3.27Å; T218-F220 PolarHBondContact O-N 2.97Å; T218-F220 WeakPolarHBondContact OG1-CE2 3.22Å; T218-F220 WeakPolarHBondContact OG1-CZ 3.39Å
221	T	83.8	Confident	75.1	Confident	45 Å²	45	60 Å²	60	28%	0.276	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-114.3	148.6	179	43.1	0	0	0	0	110.3	H199 C200 M201 E226	H199-T221 PolarHBondContact O-N 3.13Å; H199-T221 PolarHBondContact O-OG1 3.07Å; C200-T221 WeakPolarHBondContact CA-O 3.32Å; M201-T221 PolarHBondContact N-O 3.17Å; T221-E226 PolarHBondContact OG1-OE1 3.07Å
222	S	87.1	Confident	77.1	Confident	13 Å²	13	56.8 Å²	56.8	9%	0.091	31%	0.305	C	S	.	.			trans	-83.4	152	176.5	75.4	0	0	0	0	111.3	V224 I225 E226	S222-V224 PolarHBondContact O-N 3.23Å; S222-V224 VanDerWaalsContact O-N 3.16Å; S222-I225 PolarHBondContact O-N 3.37Å; S222-I225 VanDerWaalsContact O-N 3.11Å; S222-I225 WeakPolarHBondContact OG-CD1 3.38Å; S222-I225 VanDerWaalsContact OG-CG1 3.3Å; S222-I225 WeakPolarHBondContact OG-CG1 3.33Å; S222-I225 PolarHBondContact OG-N 3.29Å; S222-E226 PolarHBondContact O-N 3.28Å; S222-E226 VanDerWaalsContact O-N 3.09Å
223	P	91.4	Very high	79	Confident	5 Å²	5	52 Å²	52	3%	0.032	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-31.3	179.7	22.5	-34.4	0	0	0	112.8	H190 M201 F227	H190-P223 WeakPolarHBondContact O-CB 3.44Å; M201-P223 VanDerWaalsContact O-CD 3.24Å; M201-P223 WeakPolarHBondContact O-CD 3.39Å; P223-F227 VanDerWaalsContact O-CB 3.26Å; P223-F227 WeakPolarHBondContact O-CB 3.17Å; P223-F227 PolarHBondContact O-N 3.32Å
224	V	91.8	Very high	81	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-71.1	-39.8	178.6	-166.4	0	0	0	0	112.2	W188 S222 F227 W228 I401 P404 K405	W188-V224 HydrophobicContact CB-CB 4.38Å; W188-V224 HydrophobicContact CB-CG1 4.26Å; W188-V224 HydrophobicContact CB-CG2 4.14Å; W188-V224 HydrophobicContact CG-CG1 4.49Å; W188-V224 HydrophobicContact CG-CG2 4.48Å; W188-V224 WeakPolarHBondContact O-CG2 3.31Å; S222-V224 PolarHBondContact O-N 3.23Å; S222-V224 VanDerWaalsContact O-N 3.16Å; V224-F227 PolarHBondContact O-N 3.04Å; V224-W228 WeakPolarHBondContact O-CB 3.3Å; V224-W228 PolarHBondContact O-N 3.35Å; V224-I401 HydrophobicContact CG1-CG2 4.27Å; V224-I401 WeakPolarHBondContact CG1-O 3.32Å; V224-P404 HydrophobicContact CG1-CB 4.26Å; V224-K405 HydrophobicContact CB-CB 4.4Å; V224-K405 HydrophobicContact CG2-CB 3.81Å; V224-K405 HydrophobicContact CG2-CD 4.36Å; V224-K405 HydrophobicContact CG2-CG 4.03Å
225	I	90.1	Very high	83	Confident	46 Å²	46	43.7 Å²	43.7	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-46.8	175	-67.6	168.5	0	0	0	109.5	S222 F227 W228 E229 I401	S222-I225 PolarHBondContact O-N 3.37Å; S222-I225 VanDerWaalsContact O-N 3.11Å; S222-I225 WeakPolarHBondContact OG-CD1 3.38Å; S222-I225 VanDerWaalsContact OG-CG1 3.3Å; S222-I225 WeakPolarHBondContact OG-CG1 3.33Å; S222-I225 PolarHBondContact OG-N 3.29Å; I225-F227 VanDerWaalsContact C-N 3.33Å; I225-F227 PolarHBondContact O-N 2.88Å; I225-W228 PolarHBondContact O-N 3.41Å; I225-E229 HydrophobicContact CG2-CG 4.26Å; I225-E229 WeakPolarHBondContact O-CB 3.3Å; I225-E229 PolarHBondContact O-N 2.92Å; I225-I401 HydrophobicContact CG1-CG2 3.72Å
226	E	93.3	Very high	84.9	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.028	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-35.4	178.8	-67.4	-160.2	165.4	0	0	112.8	N196 T197 C200 T221 S222 R230 N231	N196-E226 WeakPolarHBondContact CA-OE2 3.48Å; N196-E226 WeakPolarHBondContact CB-OE2 3.28Å; N196-E226 PolarHBondContact ND2-OE2 2.9Å; T197-E226 WeakPolarHBondContact CB-OE1 3.08Å; T197-E226 PolarHBondContact N-OE2 2.9Å; T197-E226 PolarHBondContact OG1-OE1 3.49Å; C200-E226 VanDerWaalsContact CB-OE2 3.31Å; C200-E226 WeakPolarHBondContact CB-OE2 3.42Å; T221-E226 PolarHBondContact OG1-OE1 3.07Å; S222-E226 PolarHBondContact O-N 3.28Å; S222-E226 VanDerWaalsContact O-N 3.09Å; E226-R230 WeakPolarHBondContact O-CA 3.17Å; E226-R230 VanDerWaalsContact O-CB 3.22Å; E226-R230 WeakPolarHBondContact O-CB 3.36Å; E226-R230 PolarHBondContact O-N 3.05Å; E226-N231 PolarHBondContact O-N 3.27Å
227	F	95.4	Very high	86.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-61	-45.5	172.4	-179.9	-100.1	0	0	0	111.3	Y176 Y177 Q180 P187 W188 W195 P223 V224 I225 N231 V232	Y176-F227 HydrophobicContact CE1-CZ 4.01Å; Y177-F227 HydrophobicContact CD1-CE1 4.19Å; Y177-F227 AromaticContact CE1-CD1 3.99Å; Y177-F227 HydrophobicContact CE1-CD1 3.99Å; Y177-F227 AromaticContact CE1-CE1 3.65Å; Y177-F227 HydrophobicContact CE1-CE1 3.65Å; Y177-F227 HydrophobicContact CE2-CE1 4.14Å; Y177-F227 AromaticContact CZ-CD1 3.86Å; Y177-F227 AromaticContact CZ-CE1 3.62Å; Q180-F227 HydrophobicContact CB-CZ 4.45Å; Q180-F227 HydrophobicContact CG-CZ 4.2Å; P187-F227 HydrophobicContact CB-CD2 4.11Å; P187-F227 HydrophobicContact CB-CE2 3.61Å; P187-F227 HydrophobicContact CB-CZ 4.25Å; W188-F227 HydrophobicContact CB-CB 3.87Å; W188-F227 HydrophobicContact CB-CD1 3.96Å; W188-F227 HydrophobicContact CB-CG 3.86Å; W188-F227 HydrophobicContact CD2-CE1 4.48Å; W188-F227 AromaticContact CE3-CD1 3.93Å; W188-F227 HydrophobicContact CE3-CD1 3.93Å; W188-F227 AromaticContact CE3-CE1 3.51Å; W188-F227 HydrophobicContact CE3-CE1 3.51Å; W188-F227 HydrophobicContact CE3-CE2 4.44Å; W188-F227 AromaticContact CE3-CZ 3.8Å; W188-F227 HydrophobicContact CE3-CZ 3.8Å; W188-F227 HydrophobicContact CZ3-CE1 4.04Å; W188-F227 HydrophobicContact CZ3-CZ 4.19Å; W195-F227 AromaticContact CE2-CD2 3.96Å; W195-F227 AromaticContact CZ2-CD2 3.82Å; W195-F227 HydrophobicContact CZ2-CD2 3.82Å; W195-F227 HydrophobicContact CZ2-CE2 4.15Å; W195-F227 AromaticContact NE1-CD2 3.99Å; P223-F227 VanDerWaalsContact O-CB 3.26Å; P223-F227 WeakPolarHBondContact O-CB 3.17Å; P223-F227 PolarHBondContact O-N 3.32Å; V224-F227 PolarHBondContact O-N 3.04Å; I225-F227 VanDerWaalsContact C-N 3.33Å; I225-F227 PolarHBondContact O-N 2.88Å; F227-N231 HydrophobicContact CD2-CB 4.13Å; F227-N231 HydrophobicContact CE2-CB 4.45Å; F227-N231 WeakPolarHBondContact CE2-ND2 3.48Å; F227-N231 WeakPolarHBondContact O-CA 3.49Å; F227-N231 VanDerWaalsContact O-CB 3.31Å; F227-N231 WeakPolarHBondContact O-CB 3.46Å; F227-N231 PolarHBondContact O-N 3.09Å; F227-V232 HydrophobicContact CD1-CG2 3.73Å; F227-V232 HydrophobicContact CE1-CG2 3.37Å; F227-V232 HydrophobicContact CG-CG2 4.46Å; F227-V232 HydrophobicContact CZ-CG2 3.84Å; F227-V232 WeakPolarHBondContact O-CG2 3.49Å; F227-V232 PolarHBondContact O-N 3.4Å
228	W	94.9	Very high	88.9	Confident	6 Å²	6	38.8 Å²	38.8	2%	0.023	21%	0.207	C	C	.	.	I	π-helix	trans	-64.7	-56.4	177.2	176.3	-109.7	0	0	0	112.3	W173 Y177 V224 I225 V232 L233 P396 F400 I401 M481	W173-W228 HydrophobicContact CB-CZ3 4.35Å; W173-W228 AromaticContact CD2-CH2 3.7Å; W173-W228 HydrophobicContact CD2-CH2 3.7Å; W173-W228 HydrophobicContact CD2-CZ3 4.33Å; W173-W228 AromaticContact CE3-CH2 3.72Å; W173-W228 HydrophobicContact CE3-CH2 3.72Å; W173-W228 HydrophobicContact CG-CH2 4.07Å; W173-W228 HydrophobicContact CG-CZ3 4.22Å; W173-W228 HydrophobicContact CZ3-CH2 4.18Å; Y177-W228 AromaticContact CE2-CE3 3.82Å; Y177-W228 HydrophobicContact CE2-CE3 3.82Å; Y177-W228 AromaticContact CE2-CZ3 3.91Å; Y177-W228 HydrophobicContact CE2-CZ3 3.91Å; V224-W228 WeakPolarHBondContact O-CB 3.3Å; V224-W228 PolarHBondContact O-N 3.35Å; I225-W228 PolarHBondContact O-N 3.41Å; W228-V232 HydrophobicContact CE3-CB 4.23Å; W228-V232 HydrophobicContact CE3-CG1 4.09Å; W228-V232 HydrophobicContact CZ3-CG1 4.06Å; W228-L233 HydrophobicContact CD2-CD1 4.13Å; W228-L233 HydrophobicContact CD2-CG 4.3Å; W228-L233 VanDerWaalsContact CE2-CD1 3.5Å; W228-L233 HydrophobicContact CG-CD1 4.47Å; W228-L233 HydrophobicContact CH2-CD2 4.32Å; W228-L233 HydrophobicContact CZ2-CD1 3.75Å; W228-L233 HydrophobicContact CZ2-CD2 4.27Å; W228-L233 HydrophobicContact CZ2-CG 4.22Å; W228-L233 WeakPolarHBondContact O-CB 3.3Å; W228-L233 WeakPolarHBondContact O-CG 3.39Å; W228-L233 PolarHBondContact O-N 3.5Å; W228-P396 HydrophobicContact CZ2-CB 4.4Å; W228-F400 HydrophobicContact CD2-CB 4.16Å; W228-F400 HydrophobicContact CE3-CB 3.6Å; W228-F400 HydrophobicContact CE3-CG 4.19Å; W228-F400 HydrophobicContact CH2-CB 3.98Å; W228-F400 AromaticContact CH2-CD2 3.73Å; W228-F400 HydrophobicContact CH2-CD2 3.73Å; W228-F400 HydrophobicContact CH2-CE2 4.45Å; W228-F400 AromaticContact CH2-CG 3.91Å; W228-F400 HydrophobicContact CH2-CG 3.91Å; W228-F400 HydrophobicContact CZ3-CB 3.5Å; W228-F400 VanDerWaalsContact CZ3-CB 3.5Å; W228-F400 HydrophobicContact CZ3-CD1 4.11Å; W228-F400 AromaticContact CZ3-CD2 3.89Å; W228-F400 HydrophobicContact CZ3-CD2 3.89Å; W228-F400 AromaticContact CZ3-CG 3.56Å; W228-F400 HydrophobicContact CZ3-CG 3.56Å; W228-I401 HydrophobicContact CB-CD1 4.49Å; W228-I401 HydrophobicContact CB-CG1 4.14Å; W228-I401 HydrophobicContact CG-CD1 4.15Å; W228-I401 HydrophobicContact CG-CG1 4.04Å; W228-M481 HydrophobicContact CZ2-SD 4.48Å
229	E	93.4	Very high	90.7	Very high	50 Å²	50	36.7 Å²	36.7	23%	0.234	19%	0.194	C	C	.	.	I	π-helix	trans	-75.1	-40.1	-171.9	-65.9	-175	162.7	0	0	112.5	I225 S234 L235	I225-E229 HydrophobicContact CG2-CG 4.26Å; I225-E229 WeakPolarHBondContact O-CB 3.3Å; I225-E229 PolarHBondContact O-N 2.92Å; E229-S234 CarbonylContact O-C 3.51Å; E229-S234 VanDerWaalsContact O-CA 3.26Å; E229-S234 WeakPolarHBondContact O-CA 3.41Å; E229-S234 PolarHBondContact O-N 2.94Å; E229-L235 PolarHBondContact O-N 3.4Å
230	R	94.4	Very high	91.9	Very high	114 Å²	114	33.2 Å²	33.2	43%	0.43	18%	0.175	S	C	.	.	I	π-helix	trans	-97.7	-34.3	-171.8	-50.2	-169	80.2	-140.3	8.3	113.5	W195 T197 E226 S234	W195-R230 HydrophobicContact CB-CB 4.34Å; W195-R230 WeakPolarHBondContact O-CD 3.15Å; W195-R230 PolarHBondContact O-NH1 3.47Å; T197-R230 VanDerWaalsContact CG2-CZ 3.41Å; E226-R230 WeakPolarHBondContact O-CA 3.17Å; E226-R230 VanDerWaalsContact O-CB 3.22Å; E226-R230 WeakPolarHBondContact O-CB 3.36Å; E226-R230 PolarHBondContact O-N 3.05Å; R230-S234 WeakPolarHBondContact O-CA 3.43Å; R230-S234 PolarHBondContact O-OG 3.28Å
231	N	95.1	Very high	92.8	Very high	26 Å²	26	35 Å²	35	14%	0.139	18%	0.184	C	C	.	.	I	π-helix	trans	-96.1	-57	-178.8	-176.5	57.7	0	0	0	113.3	Y176 W195 E226 F227 K246	Y176-N231 PolarHBondContact OH-ND2 3.08Å; Y176-N231 VanDerWaalsContact OH-ND2 3.13Å; W195-N231 HydrophobicContact CB-CB 4.01Å; W195-N231 HydrophobicContact CD2-CB 3.68Å; W195-N231 HydrophobicContact CE3-CB 4.12Å; W195-N231 HydrophobicContact CG-CB 3.63Å; E226-N231 PolarHBondContact O-N 3.27Å; F227-N231 HydrophobicContact CD2-CB 4.13Å; F227-N231 HydrophobicContact CE2-CB 4.45Å; F227-N231 WeakPolarHBondContact CE2-ND2 3.48Å; F227-N231 WeakPolarHBondContact O-CA 3.49Å; F227-N231 VanDerWaalsContact O-CB 3.31Å; F227-N231 WeakPolarHBondContact O-CB 3.46Å; F227-N231 PolarHBondContact O-N 3.09Å; N231-K246 WeakPolarHBondContact O-CE 3.45Å; N231-K246 PolarHBondContact O-NZ 2.93Å
232	V	95.8	Very high	93.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	19%	0.194	C	C	.	.	I	π-helix	trans	-67.2	-57.7	-176.6	-180	0	0	0	0	110.1	Y176 Y177 F227 W228 K246 L249	Y176-V232 HydrophobicContact CD1-CG1 4.15Å; Y176-V232 HydrophobicContact CD1-CG2 3.97Å; Y176-V232 HydrophobicContact CE1-CB 4.32Å; Y176-V232 HydrophobicContact CE1-CG1 4.34Å; Y176-V232 HydrophobicContact CE1-CG2 3.59Å; Y177-V232 HydrophobicContact CE2-CG1 4.27Å; Y177-V232 HydrophobicContact CE2-CG2 3.82Å; F227-V232 HydrophobicContact CD1-CG2 3.73Å; F227-V232 HydrophobicContact CE1-CG2 3.37Å; F227-V232 HydrophobicContact CG-CG2 4.46Å; F227-V232 HydrophobicContact CZ-CG2 3.84Å; F227-V232 WeakPolarHBondContact O-CG2 3.49Å; F227-V232 PolarHBondContact O-N 3.4Å; W228-V232 HydrophobicContact CE3-CB 4.23Å; W228-V232 HydrophobicContact CE3-CG1 4.09Å; W228-V232 HydrophobicContact CZ3-CG1 4.06Å; V232-K246 WeakPolarHBondContact O-CE 3.48Å; V232-L249 HydrophobicContact CG1-CD1 4.32Å; V232-L249 HydrophobicContact CG1-CD2 4.26Å; V232-L249 VanDerWaalsContact O-CD1 3.3Å; V232-L249 WeakPolarHBondContact O-CD1 3.46Å
233	L	94.3	Very high	93.5	Very high	8 Å²	8	38 Å²	38	4%	0.042	21%	0.213	C	C	.	.	S	Bend	trans	-84.1	-38.5	-178.6	-61.5	-178.8	0	0	0	112.5	W173 W228 L235 M481	W173-L233 HydrophobicContact CZ2-CD2 4.25Å; W228-L233 HydrophobicContact CD2-CD1 4.13Å; W228-L233 HydrophobicContact CD2-CG 4.3Å; W228-L233 VanDerWaalsContact CE2-CD1 3.5Å; W228-L233 HydrophobicContact CG-CD1 4.47Å; W228-L233 HydrophobicContact CH2-CD2 4.32Å; W228-L233 HydrophobicContact CZ2-CD1 3.75Å; W228-L233 HydrophobicContact CZ2-CD2 4.27Å; W228-L233 HydrophobicContact CZ2-CG 4.22Å; W228-L233 WeakPolarHBondContact O-CB 3.3Å; W228-L233 WeakPolarHBondContact O-CG 3.39Å; W228-L233 PolarHBondContact O-N 3.5Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L233-L235 HydrophobicContact CB-CB 4.49Å; L233-L235 HydrophobicContact CD1-CD1 4.46Å; L233-M481 HydrophobicContact CD1-CB 4.13Å; L233-M481 HydrophobicContact CD1-CG 4.08Å; L233-M481 HydrophobicContact CD1-SD 4.31Å
234	S	94.9	Very high	93.7	Very high	33 Å²	33	40.8 Å²	40.8	23%	0.231	23%	0.232	C	C	.	.			trans	50.4	55.2	-164.8	-60.9	0	0	0	0	111.2	E229 R230 S236 K246 E478	E229-S234 CarbonylContact O-C 3.51Å; E229-S234 VanDerWaalsContact O-CA 3.26Å; E229-S234 WeakPolarHBondContact O-CA 3.41Å; E229-S234 PolarHBondContact O-N 2.94Å; R230-S234 WeakPolarHBondContact O-CA 3.43Å; R230-S234 PolarHBondContact O-OG 3.28Å; S234-S236 PolarHBondContact O-N 3.26Å; S234-K246 WeakPolarHBondContact OG-CE 3.48Å; S234-K246 PolarHBondContact OG-NZ 3.36Å; S234-E478 WeakPolarHBondContact O-CB 3.35Å; S234-E478 VanDerWaalsContact O-CG 3.29Å; S234-E478 WeakPolarHBondContact O-CG 3.47Å
235	L	93	Very high	94	Very high	45 Å²	45	42.8 Å²	42.8	24%	0.236	24%	0.243	C	C	.	.			trans	-56.5	125.6	-166.1	-167.7	69.8	0	0	0	112	E229 L233 E478 M481 Y482 Y561	E229-L235 PolarHBondContact O-N 3.4Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L233-L235 HydrophobicContact CB-CB 4.49Å; L233-L235 HydrophobicContact CD1-CD1 4.46Å; L235-E478 WeakPolarHBondContact CA-O 3.4Å; L235-M481 HydrophobicContact CD1-CB 3.75Å; L235-M481 HydrophobicContact CD1-CG 4.4Å; L235-Y482 HydrophobicContact CD1-CE2 4.04Å; L235-Y482 HydrophobicContact CG-CE2 4.4Å; L235-Y561 HydrophobicContact CD2-CE1 3.73Å
236	S	94.4	Very high	94.3	Very high	11 Å²	11	42.1 Å²	42.1	8%	0.077	24%	0.238	C	C	.	.			trans	-76.1	166.6	174.5	80.5	0	0	0	0	112	S234 G238 H241 E478 G479 Y482	S234-S236 PolarHBondContact O-N 3.26Å; S236-G238 PolarHBondContact O-N 3.15Å; S236-G238 VanDerWaalsContact O-N 3.14Å; S236-G238 PolarHBondContact OG-O 3.4Å; S236-H241 WeakPolarHBondContact CB-O 3.41Å; S236-H241 PolarHBondContact OG-O 3.03Å; S236-E478 PolarHBondContact N-O 2.71Å; S236-G479 VanDerWaalsContact OG-CA 3.23Å; S236-G479 WeakPolarHBondContact OG-CA 3.12Å; S236-Y482 WeakPolarHBondContact O-CE2 3.41Å; S236-Y482 PolarHBondContact O-OH 3.28Å
237	P	91.5	Very high	94.5	Very high	106 Å²	106	50.5 Å²	50.5	69%	0.688	27%	0.27	S	S	*	.	S	Bend	trans	-63.5	-17	178.6	-23.3	34.5	0	0	0	115	Y565	P237-Y565 WeakPolarHBondContact O-CE2 3.41Å
238	G	92.2	Very high	94.5	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.021	29%	0.293	C	S	.	.	S	Bend	trans	172.4	174.3	-176.9	0	0	0	0	0	113.7	S236 D240 H241 Y565	S236-G238 PolarHBondContact O-N 3.15Å; S236-G238 VanDerWaalsContact O-N 3.14Å; S236-G238 PolarHBondContact OG-O 3.4Å; G238-D240 PolarHBondContact O-N 3.26Å; G238-H241 CarbonylContact O-C 3.57Å; G238-H241 PolarHBondContact O-N 3.26Å; G238-Y565 VanDerWaalsContact CA-CE2 3.48Å; G238-Y565 WeakPolarHBondContact CA-OH 3.43Å
239	I	94.3	Very high	94.6	Very high	16 Å²	16	54.8 Å²	54.8	8%	0.082	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26	-177	-162.2	173.1	0	0	0	113.8	H241 Y482 V483 Y565 Y567 P568 W570 A571	I239-H241 PolarHBondContact O-N 3.1Å; I239-Y482 HydrophobicContact CB-CG 4.38Å; I239-V483 HydrophobicContact CD1-CG2 4.4Å; I239-V483 HydrophobicContact CG1-CG2 4.27Å; I239-Y565 WeakPolarHBondContact CG2-OH 3.31Å; I239-Y565 PolarHBondContact N-OH 3.44Å; I239-Y567 HydrophobicContact CD1-CD1 4.46Å; I239-Y567 HydrophobicContact CD1-CE1 4.27Å; I239-P568 HydrophobicContact CG2-CG 3.65Å; I239-W570 HydrophobicContact CD1-CH2 4.03Å; I239-W570 HydrophobicContact CG1-CH2 4.04Å; I239-W570 HydrophobicContact CG1-CZ2 4.48Å; I239-W570 HydrophobicContact CG2-CH2 4.03Å; I239-W570 HydrophobicContact CG2-CZ2 3.67Å; I239-A571 HydrophobicContact CD1-CB 3.99Å; I239-A571 HydrophobicContact CG2-CB 4.19Å
240	D	93.6	Very high	94.9	Very high	87 Å²	87	52.4 Å²	52.4	47%	0.465	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.6	176	-55.5	-72.7	0	0	0	112.9	G238 P242 W570	G238-D240 PolarHBondContact O-N 3.26Å; D240-P242 VanDerWaalsContact O-CD 3.29Å; D240-P242 WeakPolarHBondContact O-CD 3.41Å; D240-W570 WeakPolarHBondContact OD1-CZ2 3.41Å; D240-W570 PolarHBondContact OD1-NE1 2.9Å
241	H	94.1	Very high	95	Very high	113 Å²	113	52.1 Å²	52.1	52%	0.523	29%	0.289	S	S	.	.			trans	-117.2	81.1	179.5	-61.5	-57.1	0	0	0	109.4	S236 G238 I239 G243	S236-H241 WeakPolarHBondContact CB-O 3.41Å; S236-H241 PolarHBondContact OG-O 3.03Å; G238-H241 CarbonylContact O-C 3.57Å; G238-H241 PolarHBondContact O-N 3.26Å; I239-H241 PolarHBondContact O-N 3.1Å; H241-G243 PolarHBondContact O-N 3.41Å
242	P	90.6	Very high	95.2	Very high	74 Å²	74	51.2 Å²	51.2	48%	0.481	28%	0.284	S	S	.	.			trans	-62.4	-25.7	180	23.9	-33.3	0	0	0	112.6	D240 T477 E478 G479	D240-P242 VanDerWaalsContact O-CD 3.29Å; D240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-T477 WeakPolarHBondContact O-CB 3.31Å; P242-T477 PolarHBondContact O-OG1 3.42Å; P242-E478 PolarHBondContact O-N 3.1Å; P242-G479 PolarHBondContact O-N 3.33Å
243	G	94.8	Very high	95.3	Very high	48 Å²	48	51.1 Å²	51.1	50%	0.495	28%	0.284	S	S	.	.			trans	65.7	-155.4	177.8	0	0	0	0	0	113.2	H241 E478	H241-G243 PolarHBondContact O-N 3.41Å; G243-E478 VanDerWaalsContact CA-OE2 3.27Å; G243-E478 WeakPolarHBondContact CA-OE2 3.5Å
244	S	96	Very high	95.5	Very high	62 Å²	62	53.9 Å²	53.9	43%	0.434	30%	0.298	S	S	.	.			trans	-84.5	158.2	-179	82	0	0	0	0	112.9	T477 E478	S244-T477 CarbonylContact O-C 3.57Å; S244-T477 VanDerWaalsContact O-CA 3.3Å; S244-T477 WeakPolarHBondContact O-CA 2.98Å; S244-E478 WeakPolarHBondContact CB-OE1 3.41Å; S244-E478 VanDerWaalsContact N-CD 3.27Å; S244-E478 PolarHBondContact N-OE2 3.47Å; S244-E478 VanDerWaalsContact N-OE2 3.08Å; S244-E478 PolarHBondContact O-N 2.9Å; S244-E478 PolarHBondContact OG-OE1 3.28Å
245	L	97	Very high	95.7	Very high	45 Å²	45	55.8 Å²	55.8	24%	0.236	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-77.2	127.5	172.8	-177.4	70.4	0	0	0	109.8	W247 A250 L473 V476 T477	L245-W247 HydrophobicContact CD2-CD2 4.25Å; L245-W247 HydrophobicContact CD2-CE3 4.02Å; L245-W247 HydrophobicContact CD2-CH2 3.96Å; L245-W247 HydrophobicContact CD2-CZ2 4.17Å; L245-W247 HydrophobicContact CD2-CZ3 3.87Å; L245-W247 PolarHBondContact O-N 3.34Å; L245-A250 HydrophobicContact CD2-CB 4.26Å; L245-A250 HydrophobicContact CG-CB 4.4Å; L245-L473 HydrophobicContact CD1-CB 4.34Å; L245-L473 HydrophobicContact CD1-CD2 4.17Å; L245-L473 HydrophobicContact CD2-CD2 4.41Å; L245-V476 HydrophobicContact CD1-CB 4.45Å; L245-T477 HydrophobicContact CD1-CG2 4.1Å
246	K	97.3	Very high	95.9	Very high	32 Å²	32	53.8 Å²	53.8	14%	0.139	30%	0.295	C	S	.	.			trans	-79.3	91.7	175.2	-64.7	-72.4	-72.7	-179.1	0	109.8	N231 V232 S234 D248 L249 A250 V476 E478	N231-K246 WeakPolarHBondContact O-CE 3.45Å; N231-K246 PolarHBondContact O-NZ 2.93Å; V232-K246 WeakPolarHBondContact O-CE 3.48Å; S234-K246 WeakPolarHBondContact OG-CE 3.48Å; S234-K246 PolarHBondContact OG-NZ 3.36Å; K246-D248 VanDerWaalsContact C-N 3.28Å; K246-D248 PolarHBondContact O-N 2.7Å; K246-L249 HydrophobicContact CB-CB 4.18Å; K246-L249 HydrophobicContact CB-CD1 4.18Å; K246-L249 HydrophobicContact CB-CG 4.34Å; K246-L249 PolarHBondContact O-N 2.85Å; K246-L249 VanDerWaalsContact O-N 3.08Å; K246-A250 PolarHBondContact O-N 3.37Å; K246-V476 HydrophobicContact CB-CG1 4.4Å; K246-V476 WeakPolarHBondContact CB-O 3.04Å; K246-V476 PolarHBondContact N-O 2.7Å; K246-E478 HydrophobicContact CD-CG 4.5Å
247	W	97	Very high	96.1	Very high	182 Å²	182	53.7 Å²	53.7	69%	0.689	29%	0.293	S	S	*	.	H	α-helix	trans	-55.1	-38.2	-175	-71.1	106.4	0	0	0	114.3	L245 L249 A250 L251	L245-W247 HydrophobicContact CD2-CD2 4.25Å; L245-W247 HydrophobicContact CD2-CE3 4.02Å; L245-W247 HydrophobicContact CD2-CH2 3.96Å; L245-W247 HydrophobicContact CD2-CZ2 4.17Å; L245-W247 HydrophobicContact CD2-CZ3 3.87Å; L245-W247 PolarHBondContact O-N 3.34Å; W247-L249 VanDerWaalsContact C-N 3.33Å; W247-L249 PolarHBondContact O-N 3.02Å; W247-A250 PolarHBondContact O-N 3.35Å; W247-L251 WeakPolarHBondContact O-CG 3.34Å; W247-L251 PolarHBondContact O-N 2.76Å
248	D	96.3	Very high	96.4	Very high	92 Å²	92	52.5 Å²	52.5	49%	0.492	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-43.5	178.5	-54.6	-40	0	0	0	111.6	Y176 K246 L251 C252	Y176-D248 HydrophobicContact CD2-CB 4.14Å; Y176-D248 HydrophobicContact CE2-CB 3.73Å; K246-D248 VanDerWaalsContact C-N 3.28Å; K246-D248 PolarHBondContact O-N 2.7Å; D248-L251 PolarHBondContact O-N 3.37Å; D248-C252 PolarHBondContact O-N 2.91Å; D248-C252 VanDerWaalsContact O-N 3.07Å; D248-C252 PolarHBondContact O-SG 3.42Å
249	L	97.4	Very high	96.6	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-71.3	-35.2	175.9	-71.8	-175.6	0	0	0	111.5	Y176 V232 K246 W247 L251 C252 L253 V476	Y176-L249 HydrophobicContact CD2-CD2 3.9Å; Y176-L249 HydrophobicContact CG-CD2 3.78Å; V232-L249 HydrophobicContact CG1-CD1 4.32Å; V232-L249 HydrophobicContact CG1-CD2 4.26Å; V232-L249 VanDerWaalsContact O-CD1 3.3Å; V232-L249 WeakPolarHBondContact O-CD1 3.46Å; K246-L249 HydrophobicContact CB-CB 4.18Å; K246-L249 HydrophobicContact CB-CD1 4.18Å; K246-L249 HydrophobicContact CB-CG 4.34Å; K246-L249 PolarHBondContact O-N 2.85Å; K246-L249 VanDerWaalsContact O-N 3.08Å; W247-L249 VanDerWaalsContact C-N 3.33Å; W247-L249 PolarHBondContact O-N 3.02Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 3.21Å; L249-C252 PolarHBondContact O-N 3.43Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 PolarHBondContact O-N 3.04Å; L249-V476 HydrophobicContact CB-CG1 3.21Å; L249-V476 HydrophobicContact CD1-CG1 4.31Å; L249-V476 HydrophobicContact CG-CG1 4.4Å
250	A	98.1	Very high	96.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-63.4	-38.7	176.2	0	0	0	0	0	111.3	L245 K246 W247 L253 L254 L473 V476	L245-A250 HydrophobicContact CD2-CB 4.26Å; L245-A250 HydrophobicContact CG-CB 4.4Å; K246-A250 PolarHBondContact O-N 3.37Å; W247-A250 PolarHBondContact O-N 3.35Å; A250-L253 PolarHBondContact O-N 3.42Å; A250-L254 WeakPolarHBondContact O-CB 3.42Å; A250-L254 PolarHBondContact O-N 2.9Å; A250-L473 HydrophobicContact CB-CD2 3.8Å; A250-V476 HydrophobicContact CB-CG1 4.28Å
251	L	98.3	Very high	96.8	Very high	108 Å²	108	52 Å²	52	57%	0.565	28%	0.278	S	S	*	.	H	α-helix	trans	-68.3	-39.6	173.1	-69.7	174.1	0	0	0	112.2	W247 D248 L249 L253 L254 L255	W247-L251 WeakPolarHBondContact O-CG 3.34Å; W247-L251 PolarHBondContact O-N 2.76Å; D248-L251 PolarHBondContact O-N 3.37Å; L249-L251 VanDerWaalsContact C-N 3.31Å; L249-L251 PolarHBondContact O-N 3.21Å; L251-L253 VanDerWaalsContact C-N 3.34Å; L251-L254 PolarHBondContact O-N 3.48Å; L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 PolarHBondContact O-N 2.99Å
252	C	98.4	Very high	96.9	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-43.8	172.8	-66.2	0	0	0	0	111.2	A172 T175 D248 L249 L254 L255 V256	A172-C252 HydrophobicContact CB-CB 4.19Å; A172-C252 WeakPolarHBondContact O-CB 3.45Å; T175-C252 HydrophobicContact CG2-CB 4.09Å; D248-C252 PolarHBondContact O-N 2.91Å; D248-C252 VanDerWaalsContact O-N 3.07Å; D248-C252 PolarHBondContact O-SG 3.42Å; L249-C252 PolarHBondContact O-N 3.43Å; C252-L254 PolarHBondContact O-N 3.34Å; C252-L255 PolarHBondContact O-N 2.89Å; C252-V256 WeakPolarHBondContact O-CG2 3.21Å; C252-V256 PolarHBondContact O-N 3.06Å
253	L	98.5	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-44.7	176.1	-177.7	68.4	0	0	0	111.3	I168 V169 A172 L249 A250 L251 V256 W257 Y469 L473 V476	I168-L253 HydrophobicContact CG2-CD1 3.74Å; V169-L253 HydrophobicContact CG2-CD1 4.4Å; A172-L253 HydrophobicContact CB-CB 3.94Å; A172-L253 HydrophobicContact CB-CD1 4.16Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 PolarHBondContact O-N 3.04Å; A250-L253 PolarHBondContact O-N 3.42Å; L251-L253 VanDerWaalsContact C-N 3.34Å; L253-V256 PolarHBondContact O-N 3.39Å; L253-W257 PolarHBondContact O-N 3.01Å; L253-Y469 HydrophobicContact CB-CE2 4.32Å; L253-Y469 HydrophobicContact CD2-CD2 3.86Å; L253-Y469 HydrophobicContact CD2-CE2 4.04Å; L253-Y469 HydrophobicContact CG-CD2 3.89Å; L253-Y469 HydrophobicContact CG-CE2 4.13Å; L253-L473 HydrophobicContact CD2-CD2 4.39Å; L253-V476 HydrophobicContact CD2-CG2 3.97Å
254	L	98.5	Very high	97	Very high	65 Å²	65	46 Å²	46	34%	0.34	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-45.9	175.7	-179.5	62.8	0	0	0	111.1	A250 L251 C252 V256 W257 L258 Y469	A250-L254 WeakPolarHBondContact O-CB 3.42Å; A250-L254 PolarHBondContact O-N 2.9Å; L251-L254 PolarHBondContact O-N 3.48Å; C252-L254 PolarHBondContact O-N 3.34Å; L254-V256 PolarHBondContact O-N 2.98Å; L254-W257 PolarHBondContact O-N 3.32Å; L254-L258 HydrophobicContact CG-CD1 4.26Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 3.45Å; L254-Y469 HydrophobicContact CB-CD2 4.37Å; L254-Y469 HydrophobicContact CB-CE2 3.67Å; L254-Y469 HydrophobicContact CD1-CD2 4.39Å; L254-Y469 HydrophobicContact CD1-CE1 4.46Å; L254-Y469 HydrophobicContact CD1-CE2 4.17Å
255	L	98.4	Very high	96.7	Very high	73 Å²	73	47.3 Å²	47.3	38%	0.382	23%	0.225	S	C	.	.	H	α-helix	trans	-59.1	-46.9	178.7	177.8	61.2	0	0	0	111.4	T175 F179 L251 C252 W257 L258 V259	T175-L255 HydrophobicContact CG2-CD2 4.09Å; F179-L255 HydrophobicContact CE2-CD2 4.11Å; F179-L255 HydrophobicContact CZ-CD2 3.65Å; L251-L255 WeakPolarHBondContact O-CB 3.44Å; L251-L255 PolarHBondContact O-N 2.99Å; C252-L255 PolarHBondContact O-N 2.89Å; L255-W257 PolarHBondContact O-N 2.95Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.1Å; L255-V259 HydrophobicContact CD1-CG2 4.47Å; L255-V259 WeakPolarHBondContact O-CG2 3.29Å; L255-V259 PolarHBondContact O-N 3.22Å
256	V	97.9	Very high	96.3	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-40.1	179.6	179.5	0	0	0	0	111.3	I168 L171 T175 C252 L253 L254 L258 V259 C260 L425	I168-V256 HydrophobicContact CD1-CB 4.48Å; I168-V256 HydrophobicContact CD1-CG1 3.84Å; I168-V256 HydrophobicContact CG1-CB 4.35Å; I168-V256 HydrophobicContact CG1-CG1 3.55Å; L171-V256 HydrophobicContact CB-CB 4.48Å; L171-V256 HydrophobicContact CB-CG1 3.67Å; L171-V256 HydrophobicContact CB-CG2 4.13Å; L171-V256 HydrophobicContact CD2-CG1 3.59Å; L171-V256 HydrophobicContact CG-CG1 4.32Å; T175-V256 WeakPolarHBondContact OG1-CG2 3.13Å; C252-V256 WeakPolarHBondContact O-CG2 3.21Å; C252-V256 PolarHBondContact O-N 3.06Å; L253-V256 PolarHBondContact O-N 3.39Å; L254-V256 PolarHBondContact O-N 2.98Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 3Å; V256-V259 PolarHBondContact O-N 2.92Å; V256-C260 WeakPolarHBondContact O-CB 2.73Å; V256-C260 PolarHBondContact O-N 3.15Å; V256-L425 HydrophobicContact CG2-CD1 4.31Å
257	W	98	Very high	95.9	Very high	8 Å²	8	49.7 Å²	49.7	3%	0.03	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-39	173.7	-89.7	112.5	0	0	0	112.9	I168 L253 L254 L255 C260 F261 V436 C465 Y469	I168-W257 HydrophobicContact CB-CZ2 4.43Å; I168-W257 HydrophobicContact CD1-CB 4.46Å; I168-W257 HydrophobicContact CD1-CD2 3.38Å; I168-W257 HydrophobicContact CD1-CE3 3.83Å; I168-W257 HydrophobicContact CD1-CG 3.68Å; I168-W257 HydrophobicContact CD1-CH2 4.18Å; I168-W257 HydrophobicContact CD1-CZ2 3.76Å; I168-W257 HydrophobicContact CD1-CZ3 4.22Å; I168-W257 HydrophobicContact CG2-CZ2 3.8Å; L253-W257 PolarHBondContact O-N 3.01Å; L254-W257 PolarHBondContact O-N 3.32Å; L255-W257 PolarHBondContact O-N 2.95Å; W257-C260 HydrophobicContact CE3-CB 4.49Å; W257-C260 PolarHBondContact O-N 3.13Å; W257-F261 WeakPolarHBondContact O-CB 3.4Å; W257-F261 PolarHBondContact O-N 3.48Å; W257-V436 HydrophobicContact CH2-CG2 4.28Å; W257-V436 HydrophobicContact CZ3-CG2 4.14Å; W257-C465 HydrophobicContact CD2-CB 4.32Å; W257-C465 HydrophobicContact CE3-CB 3.55Å; W257-C465 VanDerWaalsContact CE3-SG 3.59Å; W257-C465 HydrophobicContact CZ3-CB 3.93Å; W257-Y469 AromaticContact CD1-CD2 3.93Å
258	L	97.6	Very high	95.3	Very high	81 Å²	81	41 Å²	41	42%	0.424	20%	0.201	S	C	.	.	H	α-helix	trans	-63.7	-44.8	174.8	-70.9	172.6	0	0	0	111.3	L254 L255 V256 F261 F262	L254-L258 HydrophobicContact CG-CD1 4.26Å; L254-L258 WeakPolarHBondContact O-CG 3.5Å; L254-L258 PolarHBondContact O-N 3.45Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.1Å; V256-L258 VanDerWaalsContact C-N 3.34Å; V256-L258 PolarHBondContact O-N 3Å; L258-F261 WeakPolarHBondContact O-CB 3.13Å; L258-F261 PolarHBondContact O-N 2.88Å; L258-F262 WeakPolarHBondContact O-CD2 3.44Å; L258-F262 PolarHBondContact O-N 3.24Å; L258-F262 VanDerWaalsContact O-N 3.07Å
259	V	96.7	Very high	94.8	Very high	59 Å²	59	42.4 Å²	42.4	36%	0.358	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-49.5	175	177.4	0	0	0	0	110	L255 V256 F261 F262 C263 L429	L255-V259 HydrophobicContact CD1-CG2 4.47Å; L255-V259 WeakPolarHBondContact O-CG2 3.29Å; L255-V259 PolarHBondContact O-N 3.22Å; V256-V259 PolarHBondContact O-N 2.92Å; V259-F261 VanDerWaalsContact C-N 3.31Å; V259-F261 PolarHBondContact O-N 2.73Å; V259-F262 PolarHBondContact O-N 3Å; V259-F262 VanDerWaalsContact O-N 3.15Å; V259-C263 PolarHBondContact O-N 3.22Å; V259-C263 PolarHBondContact O-SG 3.29Å; V259-L429 HydrophobicContact CB-CD1 4.26Å; V259-L429 HydrophobicContact CG1-CD1 3.64Å; V259-L429 HydrophobicContact CG1-CD2 4.04Å; V259-L429 HydrophobicContact CG1-CG 4.46Å
260	C	96.3	Very high	94.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56	-44.3	177.7	-173.8	0	0	0	0	111.9	V256 W257 C263 I264	V256-C260 WeakPolarHBondContact O-CB 2.73Å; V256-C260 PolarHBondContact O-N 3.15Å; W257-C260 HydrophobicContact CE3-CB 4.49Å; W257-C260 PolarHBondContact O-N 3.13Å; C260-C263 WeakPolarHBondContact O-CB 3.47Å; C260-C263 PolarHBondContact O-N 3.08Å; C260-I264 WeakPolarHBondContact O-CG1 3.5Å; C260-I264 PolarHBondContact O-N 3.13Å
261	F	96.3	Very high	93.9	Very high	35 Å²	35	43.1 Å²	43.1	15%	0.154	21%	0.205	C	C	.	.	H	α-helix	trans	-57.1	-50.8	175.6	171	-96.8	0	0	0	111.8	W257 L258 V259 C263 I264 W265 I461 A462	W257-F261 WeakPolarHBondContact O-CB 3.4Å; W257-F261 PolarHBondContact O-N 3.48Å; L258-F261 WeakPolarHBondContact O-CB 3.13Å; L258-F261 PolarHBondContact O-N 2.88Å; V259-F261 VanDerWaalsContact C-N 3.31Å; V259-F261 PolarHBondContact O-N 2.73Å; F261-C263 VanDerWaalsContact C-N 3.26Å; F261-C263 PolarHBondContact O-N 2.95Å; F261-I264 PolarHBondContact O-N 2.97Å; F261-W265 HydrophobicContact CE1-CB 4.26Å; F261-W265 HydrophobicContact CE1-CE3 4.2Å; F261-W265 HydrophobicContact CZ-CB 4.18Å; F261-W265 WeakPolarHBondContact O-CB 3.36Å; F261-W265 PolarHBondContact O-N 3.32Å; F261-I461 HydrophobicContact CD2-CB 4.37Å; F261-I461 HydrophobicContact CD2-CG2 3.73Å; F261-I461 HydrophobicContact CE2-CB 4.28Å; F261-I461 HydrophobicContact CE2-CG2 4.13Å; F261-A462 HydrophobicContact CD2-CB 4.25Å; F261-A462 HydrophobicContact CE2-CB 3.73Å; F261-A462 HydrophobicContact CZ-CB 4.4Å
262	F	95.2	Very high	93.3	Very high	104 Å²	104	38 Å²	38	46%	0.456	18%	0.178	S	C	.	.	H	α-helix	trans	-67.5	-25	179.7	-70.9	-61.6	0	0	0	113.3	L258 V259 W265 S270	L258-F262 WeakPolarHBondContact O-CD2 3.44Å; L258-F262 PolarHBondContact O-N 3.24Å; L258-F262 VanDerWaalsContact O-N 3.07Å; V259-F262 PolarHBondContact O-N 3Å; V259-F262 VanDerWaalsContact O-N 3.15Å; F262-W265 HydrophobicContact CD1-CD2 4.01Å; F262-W265 AromaticContact CD1-CE3 3.74Å; F262-W265 HydrophobicContact CD1-CE3 3.74Å; F262-W265 HydrophobicContact CD1-CH2 4.1Å; F262-W265 HydrophobicContact CD1-CZ2 4.34Å; F262-W265 AromaticContact CD1-CZ3 3.78Å; F262-W265 HydrophobicContact CD1-CZ3 3.78Å; F262-W265 AromaticContact CE1-CE3 3.97Å; F262-W265 HydrophobicContact CE1-CE3 3.97Å; F262-W265 HydrophobicContact CE1-CH2 4.25Å; F262-W265 AromaticContact CE1-CZ3 3.73Å; F262-W265 HydrophobicContact CE1-CZ3 3.73Å; F262-W265 PolarHBondContact O-NE1 3.47Å; F262-S270 PolarHBondContact O-OG 3.44Å
263	C	93.9	Very high	92.9	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-39.1	172.7	-66.2	0	0	0	0	111.9	V259 C260 F261 S270 T271 F433	V259-C263 PolarHBondContact O-N 3.22Å; V259-C263 PolarHBondContact O-SG 3.29Å; C260-C263 WeakPolarHBondContact O-CB 3.47Å; C260-C263 PolarHBondContact O-N 3.08Å; F261-C263 VanDerWaalsContact C-N 3.26Å; F261-C263 PolarHBondContact O-N 2.95Å; C263-S270 CarbonylContact O-C 3.52Å; C263-S270 VanDerWaalsContact O-CB 3.22Å; C263-S270 WeakPolarHBondContact O-CB 3.37Å; C263-S270 PolarHBondContact O-OG 3.36Å; C263-T271 PolarHBondContact O-N 2.9Å; C263-F433 HydrophobicContact CB-CB 4.2Å; C263-F433 HydrophobicContact CB-CD1 3.93Å; C263-F433 HydrophobicContact CB-CG 4.18Å
264	I	93.4	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-109.3	-8.3	-170.8	67.5	179.1	0	0	0	115.6	C260 F261 K266 G267 F433 V436 E437 R457 I461	C260-I264 WeakPolarHBondContact O-CG1 3.5Å; C260-I264 PolarHBondContact O-N 3.13Å; F261-I264 PolarHBondContact O-N 2.97Å; I264-K266 VanDerWaalsContact C-N 3.28Å; I264-K266 PolarHBondContact O-N 3.39Å; I264-K266 VanDerWaalsContact O-N 3.13Å; I264-G267 WeakPolarHBondContact O-CA 3.33Å; I264-G267 PolarHBondContact O-N 3.35Å; I264-F433 HydrophobicContact CG2-CB 3.64Å; I264-F433 HydrophobicContact CG2-CD2 4.49Å; I264-F433 HydrophobicContact CG2-CG 4.36Å; I264-V436 HydrophobicContact CD1-CB 4.08Å; I264-V436 HydrophobicContact CD1-CG1 3.37Å; I264-E437 HydrophobicContact CG2-CB 4.32Å; I264-R457 PolarHBondContact O-NH1 3.47Å; I264-I461 HydrophobicContact CD1-CG2 3.52Å; I264-I461 HydrophobicContact CG1-CD1 4.41Å; I264-I461 HydrophobicContact CG1-CG2 3.83Å
265	W	91.1	Very high	92.3	Very high	89 Å²	89	42.7 Å²	42.7	34%	0.337	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-41.5	-172.4	68	-27.1	0	0	0	113.9	F261 F262 G267 R457 E458	F261-W265 HydrophobicContact CE1-CB 4.26Å; F261-W265 HydrophobicContact CE1-CE3 4.2Å; F261-W265 HydrophobicContact CZ-CB 4.18Å; F261-W265 WeakPolarHBondContact O-CB 3.36Å; F261-W265 PolarHBondContact O-N 3.32Å; F262-W265 HydrophobicContact CD1-CD2 4.01Å; F262-W265 AromaticContact CD1-CE3 3.74Å; F262-W265 HydrophobicContact CD1-CE3 3.74Å; F262-W265 HydrophobicContact CD1-CH2 4.1Å; F262-W265 HydrophobicContact CD1-CZ2 4.34Å; F262-W265 AromaticContact CD1-CZ3 3.78Å; F262-W265 HydrophobicContact CD1-CZ3 3.78Å; F262-W265 AromaticContact CE1-CE3 3.97Å; F262-W265 HydrophobicContact CE1-CE3 3.97Å; F262-W265 HydrophobicContact CE1-CH2 4.25Å; F262-W265 AromaticContact CE1-CZ3 3.73Å; F262-W265 HydrophobicContact CE1-CZ3 3.73Å; F262-W265 PolarHBondContact O-NE1 3.47Å; W265-G267 VanDerWaalsContact C-N 3.32Å; W265-G267 PolarHBondContact O-N 3.03Å; W265-R457 PolarHBondContact O-NH1 3.49Å; W265-R457 VanDerWaalsContact O-NH1 3.16Å; W265-E458 WeakPolarHBondContact O-CG 3.22Å
266	K	88.4	Confident	92	Very high	127 Å²	127	43.7 Å²	43.7	55%	0.552	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.4	23.4	176.2	-58.9	176.4	178.6	178.5	0	113.4	I264	I264-K266 VanDerWaalsContact C-N 3.28Å; I264-K266 PolarHBondContact O-N 3.39Å; I264-K266 VanDerWaalsContact O-N 3.13Å
267	G	87.1	Confident	91.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	-151.4	-179.7	0	0	0	0	0	113.1	I264 W265 R269 S270 T271 R457	I264-G267 WeakPolarHBondContact O-CA 3.33Å; I264-G267 PolarHBondContact O-N 3.35Å; W265-G267 VanDerWaalsContact C-N 3.32Å; W265-G267 PolarHBondContact O-N 3.03Å; G267-R269 PolarHBondContact O-N 3.36Å; G267-S270 PolarHBondContact O-N 3.4Å; G267-T271 PolarHBondContact O-N 3.35Å; G267-T271 VanDerWaalsContact O-N 3.14Å; G267-T271 PolarHBondContact O-OG1 2.87Å; G267-R457 VanDerWaalsContact N-NH1 3.11Å
268	V	85.6	Confident	91.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-56.1	-20.6	-175.7	-67.7	0	0	0	0	114.8	E71 W73 G272 Y344	E71-V268 HydrophobicContact CB-CG2 4.13Å; W73-V268 HydrophobicContact CD2-CB 4.33Å; W73-V268 HydrophobicContact CE3-CB 3.81Å; W73-V268 HydrophobicContact CE3-CG1 4.32Å; W73-V268 HydrophobicContact CH2-CB 3.84Å; W73-V268 HydrophobicContact CH2-CG1 3.57Å; W73-V268 HydrophobicContact CZ2-CB 4.34Å; W73-V268 HydrophobicContact CZ2-CG1 3.8Å; W73-V268 HydrophobicContact CZ3-CB 3.56Å; W73-V268 HydrophobicContact CZ3-CG1 3.87Å; V268-G272 WeakPolarHBondContact O-CA 3.48Å; V268-G272 PolarHBondContact O-N 3.3Å; V268-Y344 HydrophobicContact CG1-CD1 4.28Å; V268-Y344 HydrophobicContact CG1-CD2 3.35Å; V268-Y344 HydrophobicContact CG1-CE1 4.29Å; V268-Y344 HydrophobicContact CG1-CE2 3.34Å; V268-Y344 HydrophobicContact CG1-CG 3.8Å; V268-Y344 HydrophobicContact CG2-CD1 4.48Å
269	R	85.6	Confident	91.2	Very high	120 Å²	120	45.6 Å²	45.6	45%	0.453	20%	0.204	S	C	.	.	H	α-helix	trans	-70.2	-37.8	174.4	-61.9	-176.3	-166.3	-156.1	-1.6	113	E71 G267 K273	E71-R269 IonicContact OE1-CZ 3.72Å; E71-R269 VanDerWaalsContact OE1-CZ 3.24Å; E71-R269 IonicContact OE1-NE 2.63Å; E71-R269 PolarHBondContact OE1-NE 3.28Å; E71-R269 IonicContact OE1-NH2 3.25Å; E71-R269 PolarHBondContact OE1-NH2 3.04Å; E71-R269 VanDerWaalsContact OE1-NH2 3.13Å; G267-R269 PolarHBondContact O-N 3.36Å; R269-K273 WeakPolarHBondContact O-CG 3.43Å
270	S	87.8	Confident	91	Very high	19 Å²	19	46 Å²	46	13%	0.133	21%	0.206	C	C	.	.	H	α-helix	trans	-78.5	-48.9	176.1	-177.8	0	0	0	0	109.8	F262 C263 G267 G272 K273 V274	F262-S270 PolarHBondContact O-OG 3.44Å; C263-S270 CarbonylContact O-C 3.52Å; C263-S270 VanDerWaalsContact O-CB 3.22Å; C263-S270 WeakPolarHBondContact O-CB 3.37Å; C263-S270 PolarHBondContact O-OG 3.36Å; G267-S270 PolarHBondContact O-N 3.4Å; S270-G272 VanDerWaalsContact C-N 3.33Å; S270-G272 PolarHBondContact O-N 3.39Å; S270-K273 PolarHBondContact O-N 2.71Å; S270-V274 PolarHBondContact O-N 2.9Å
271	T	88.3	Confident	90.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	22%	0.217	C	C	.	.	H	α-helix	trans	-51.8	-51.9	177.3	-52.4	0	0	0	0	111.1	C263 G267 K273 V274 V275 F433	C263-T271 PolarHBondContact O-N 2.9Å; G267-T271 PolarHBondContact O-N 3.35Å; G267-T271 VanDerWaalsContact O-N 3.14Å; G267-T271 PolarHBondContact O-OG1 2.87Å; T271-K273 PolarHBondContact O-N 3.44Å; T271-V274 PolarHBondContact O-N 3.21Å; T271-V275 HydrophobicContact CG2-CG1 4.41Å; T271-V275 VanDerWaalsContact O-CG1 3.24Å; T271-V275 WeakPolarHBondContact O-CG1 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.47Å; T271-V275 PolarHBondContact O-N 3.1Å; T271-V275 VanDerWaalsContact O-N 3.15Å; T271-F433 HydrophobicContact CG2-CD2 3.67Å; T271-F433 HydrophobicContact CG2-CE2 3.42Å; T271-F433 VanDerWaalsContact CG2-CE2 3.42Å; T271-F433 HydrophobicContact CG2-CZ 4.39Å
272	G	86.8	Confident	90.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-13.5	179.8	0	0	0	0	0	115	V268 S270 V275 Y276	V268-G272 WeakPolarHBondContact O-CA 3.48Å; V268-G272 PolarHBondContact O-N 3.3Å; S270-G272 VanDerWaalsContact C-N 3.33Å; S270-G272 PolarHBondContact O-N 3.39Å; G272-V275 WeakPolarHBondContact O-CG2 3.35Å; G272-Y276 WeakPolarHBondContact O-CD2 3.46Å; G272-Y276 WeakPolarHBondContact O-CE2 3.09Å
273	K	89.9	Confident	90.2	Very high	128 Å²	128	44.9 Å²	44.9	56%	0.557	20%	0.202	S	C	*	.	H	α-helix	trans	-96.2	-40.1	174.4	-65.2	-61.6	176	-158.7	0	112.7	R269 S270 T271 V275 Y276	R269-K273 WeakPolarHBondContact O-CG 3.43Å; S270-K273 PolarHBondContact O-N 2.71Å; T271-K273 PolarHBondContact O-N 3.44Å; K273-V275 VanDerWaalsContact C-N 3.32Å; K273-V275 PolarHBondContact O-N 3.29Å; K273-Y276 PolarHBondContact O-N 3.44Å
274	V	91.7	Very high	90.1	Very high	41 Å²	41	47.2 Å²	47.2	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-41.7	178.8	175.4	0	0	0	0	110.8	S270 T271 Y276 F277 T278 F433	S270-V274 PolarHBondContact O-N 2.9Å; T271-V274 PolarHBondContact O-N 3.21Å; V274-Y276 PolarHBondContact O-N 3.16Å; V274-F277 PolarHBondContact O-N 3.22Å; V274-T278 HydrophobicContact CG1-CG2 3.49Å; V274-T278 VanDerWaalsContact CG1-CG2 3.49Å; V274-T278 PolarHBondContact O-N 2.63Å; V274-T278 VanDerWaalsContact O-N 3.15Å; V274-T278 PolarHBondContact O-OG1 3.38Å; V274-F433 HydrophobicContact CG1-CE1 4.44Å
275	V	92.8	Very high	90	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.7	-23.3	-179	-64.3	0	0	0	0	114.5	L81 T271 G272 K273 F277 T278 A279 F433	L81-V275 HydrophobicContact CB-CB 4.2Å; L81-V275 HydrophobicContact CB-CG2 3.85Å; T271-V275 HydrophobicContact CG2-CG1 4.41Å; T271-V275 VanDerWaalsContact O-CG1 3.24Å; T271-V275 WeakPolarHBondContact O-CG1 3.3Å; T271-V275 WeakPolarHBondContact O-CG2 3.47Å; T271-V275 PolarHBondContact O-N 3.1Å; T271-V275 VanDerWaalsContact O-N 3.15Å; G272-V275 WeakPolarHBondContact O-CG2 3.35Å; K273-V275 VanDerWaalsContact C-N 3.32Å; K273-V275 PolarHBondContact O-N 3.29Å; V275-F277 PolarHBondContact O-N 3.34Å; V275-T278 VanDerWaalsContact CA-OG1 3.31Å; V275-T278 WeakPolarHBondContact CA-OG1 3.31Å; V275-A279 HydrophobicContact CB-CB 4.47Å; V275-A279 WeakPolarHBondContact O-CB 3.49Å; V275-A279 PolarHBondContact O-N 3.37Å; V275-F433 HydrophobicContact CG1-CE2 3.81Å; V275-F433 HydrophobicContact CG1-CZ 3.47Å; V275-F433 VanDerWaalsContact CG1-CZ 3.47Å
276	Y	92.4	Very high	89.9	Confident	95 Å²	95	43.9 Å²	43.9	37%	0.373	21%	0.21	S	C	.	.	H	α-helix	trans	-61.8	-36.1	177.5	-85.6	-93.3	0	0	0	112.4	I77 D78 L81 G272 K273 V274 T280	I77-Y276 HydrophobicContact CG2-CE1 3.93Å; I77-Y276 WeakPolarHBondContact CG2-OH 3.45Å; D78-Y276 WeakPolarHBondContact OD1-CE2 3.33Å; D78-Y276 PolarHBondContact OD1-OH 3.24Å; L81-Y276 HydrophobicContact CD1-CD1 3.95Å; L81-Y276 HydrophobicContact CD1-CD2 4.41Å; L81-Y276 HydrophobicContact CD1-CE1 4.07Å; L81-Y276 HydrophobicContact CD1-CG 4.15Å; G272-Y276 WeakPolarHBondContact O-CD2 3.46Å; G272-Y276 WeakPolarHBondContact O-CE2 3.09Å; K273-Y276 PolarHBondContact O-N 3.44Å; V274-Y276 PolarHBondContact O-N 3.16Å; Y276-T280 WeakPolarHBondContact O-CB 3.44Å; Y276-T280 WeakPolarHBondContact O-CG2 3.24Å; Y276-T280 PolarHBondContact O-OG1 3.18Å
277	F	92.1	Very high	90.1	Very high	121 Å²	121	43 Å²	43	53%	0.531	21%	0.211	S	C	.	.	H	α-helix	trans	-91.4	-50.6	175.7	175.3	-104.2	0	0	0	110.7	V274 V275 A279 T280 F281 L426	V274-F277 PolarHBondContact O-N 3.22Å; V275-F277 PolarHBondContact O-N 3.34Å; F277-A279 VanDerWaalsContact C-N 3.34Å; F277-A279 PolarHBondContact O-N 3.3Å; F277-T280 PolarHBondContact O-N 3.05Å; F277-T280 PolarHBondContact O-OG1 3.03Å; F277-F281 HydrophobicContact CE2-CB 4.23Å; F277-F281 AromaticContact CE2-CD2 3.96Å; F277-F281 HydrophobicContact CE2-CD2 3.96Å; F277-F281 HydrophobicContact CE2-CG 4.3Å; F277-F281 HydrophobicContact CZ-CB 4.39Å; F277-F281 HydrophobicContact CZ-CD2 4.17Å; F277-F281 HydrophobicContact CZ-CG 4.27Å; F277-F281 VanDerWaalsContact O-CB 3.31Å; F277-F281 WeakPolarHBondContact O-CB 3.34Å; F277-F281 PolarHBondContact O-N 3.39Å; F277-L426 HydrophobicContact CD1-CD1 4.49Å; F277-L426 HydrophobicContact CE1-CD1 3.81Å; F277-L426 HydrophobicContact CE1-CD2 4.28Å; F277-L426 HydrophobicContact CZ-CD1 4.24Å
278	T	92.7	Very high	90.3	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.043	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-34.2	-169.3	59.2	0	0	0	0	112.5	V274 V275 P282 L426 L429 D430	V274-T278 HydrophobicContact CG1-CG2 3.49Å; V274-T278 VanDerWaalsContact CG1-CG2 3.49Å; V274-T278 PolarHBondContact O-N 2.63Å; V274-T278 VanDerWaalsContact O-N 3.15Å; V274-T278 PolarHBondContact O-OG1 3.38Å; V275-T278 VanDerWaalsContact CA-OG1 3.31Å; V275-T278 WeakPolarHBondContact CA-OG1 3.31Å; T278-P282 WeakPolarHBondContact O-CD 3.48Å; T278-P282 VanDerWaalsContact O-CG 3.25Å; T278-P282 WeakPolarHBondContact O-CG 3.44Å; T278-L426 HydrophobicContact CG2-CD2 3.83Å; T278-L429 HydrophobicContact CG2-CD2 4.22Å; T278-D430 WeakPolarHBondContact CB-OD1 3.24Å; T278-D430 PolarHBondContact OG1-OD1 3.21Å
279	A	91.3	Very high	90.4	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.033	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-32.3	177.9	0	0	0	0	0	112.9	V275 F277 F283 D430	V275-A279 HydrophobicContact CB-CB 4.47Å; V275-A279 WeakPolarHBondContact O-CB 3.49Å; V275-A279 PolarHBondContact O-N 3.37Å; F277-A279 VanDerWaalsContact C-N 3.34Å; F277-A279 PolarHBondContact O-N 3.3Å; A279-F283 WeakPolarHBondContact O-CD2 3.26Å; A279-F283 WeakPolarHBondContact O-CE2 3.5Å; A279-D430 WeakPolarHBondContact CA-OD2 3.3Å; A279-D430 WeakPolarHBondContact CB-OD2 3.39Å; A279-D430 PolarHBondContact N-OD2 3.43Å
280	T	91.9	Very high	90.8	Very high	67 Å²	67	42 Å²	42	41%	0.411	22%	0.216	S	C	.	.	H	α-helix	trans	-84.4	-34.8	-174.3	64.1	0	0	0	0	113.3	L81 Y276 F277 F283 A284	L81-T280 HydrophobicContact CD2-CG2 4.42Å; Y276-T280 WeakPolarHBondContact O-CB 3.44Å; Y276-T280 WeakPolarHBondContact O-CG2 3.24Å; Y276-T280 PolarHBondContact O-OG1 3.18Å; F277-T280 PolarHBondContact O-N 3.05Å; F277-T280 PolarHBondContact O-OG1 3.03Å; T280-F283 PolarHBondContact O-N 2.93Å; T280-A284 PolarHBondContact O-N 3.36Å
281	F	91.3	Very high	91.1	Very high	53 Å²	53	45.3 Å²	45.3	23%	0.232	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-42.6	-178	-177.1	-87.6	0	0	0	112.9	F277 F283 A284 M285 L419 I422 L426	F277-F281 HydrophobicContact CE2-CB 4.23Å; F277-F281 AromaticContact CE2-CD2 3.96Å; F277-F281 HydrophobicContact CE2-CD2 3.96Å; F277-F281 HydrophobicContact CE2-CG 4.3Å; F277-F281 HydrophobicContact CZ-CB 4.39Å; F277-F281 HydrophobicContact CZ-CD2 4.17Å; F277-F281 HydrophobicContact CZ-CG 4.27Å; F277-F281 VanDerWaalsContact O-CB 3.31Å; F277-F281 WeakPolarHBondContact O-CB 3.34Å; F277-F281 PolarHBondContact O-N 3.39Å; F281-F283 VanDerWaalsContact C-N 3.3Å; F281-F283 PolarHBondContact O-N 3.19Å; F281-A284 PolarHBondContact O-N 2.92Å; F281-M285 HydrophobicContact CD1-CG 3.73Å; F281-M285 HydrophobicContact CE1-CB 4.5Å; F281-M285 HydrophobicContact CE1-CG 3.25Å; F281-M285 HydrophobicContact CE1-SD 4.14Å; F281-M285 HydrophobicContact CE2-CG 4.42Å; F281-M285 HydrophobicContact CZ-CG 3.65Å; F281-M285 HydrophobicContact CZ-SD 3.96Å; F281-M285 PolarHBondContact O-N 3.22Å; F281-L419 HydrophobicContact CZ-CD2 4.47Å; F281-I422 HydrophobicContact CD1-CG2 4.19Å; F281-I422 HydrophobicContact CE1-CB 4.43Å; F281-I422 HydrophobicContact CE1-CG2 3.56Å; F281-I422 HydrophobicContact CZ-CG2 4.16Å; F281-L426 HydrophobicContact CB-CD1 3.96Å; F281-L426 HydrophobicContact CD1-CD1 3.52Å; F281-L426 HydrophobicContact CE1-CD1 4.27Å; F281-L426 HydrophobicContact CG-CD1 3.96Å
282	P	90.1	Very high	91.3	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-57.6	-37.2	174.2	-29.2	37.2	0	0	0	114.6	T278 M285 L286 M423 L426 L427	T278-P282 WeakPolarHBondContact O-CD 3.48Å; T278-P282 VanDerWaalsContact O-CG 3.25Å; T278-P282 WeakPolarHBondContact O-CG 3.44Å; P282-M285 PolarHBondContact O-N 2.96Å; P282-L286 WeakPolarHBondContact O-CB 3.45Å; P282-L286 VanDerWaalsContact O-CG 3.29Å; P282-L286 WeakPolarHBondContact O-CG 3.35Å; P282-L286 PolarHBondContact O-N 2.99Å; P282-M423 HydrophobicContact CB-CG 4.18Å; P282-L426 HydrophobicContact CG-CB 3.9Å; P282-L427 HydrophobicContact CB-CD1 4.3Å; P282-L427 HydrophobicContact CB-CD2 3.43Å; P282-L427 VanDerWaalsContact CB-CD2 3.43Å; P282-L427 HydrophobicContact CB-CG 3.62Å; P282-L427 HydrophobicContact CG-CD2 3.88Å; P282-L427 HydrophobicContact CG-CG 3.88Å
283	F	90.7	Very high	91.5	Very high	63 Å²	63	48 Å²	48	28%	0.276	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-43.8	175.4	-72.8	-81.2	0	0	0	112.2	V88 A279 T280 F281 M285 L286 L287 L361 T365	V88-F283 HydrophobicContact CB-CZ 4.39Å; V88-F283 HydrophobicContact CG1-CZ 4Å; V88-F283 HydrophobicContact CG2-CZ 4.2Å; A279-F283 WeakPolarHBondContact O-CD2 3.26Å; A279-F283 WeakPolarHBondContact O-CE2 3.5Å; T280-F283 PolarHBondContact O-N 2.93Å; F281-F283 VanDerWaalsContact C-N 3.3Å; F281-F283 PolarHBondContact O-N 3.19Å; F283-M285 VanDerWaalsContact C-N 3.28Å; F283-M285 PolarHBondContact O-N 3.27Å; F283-L286 PolarHBondContact O-N 3.14Å; F283-L287 PolarHBondContact O-N 2.86Å; F283-L361 HydrophobicContact CE1-CD1 3.93Å; F283-L361 HydrophobicContact CE1-CG 4.4Å; F283-L361 HydrophobicContact CZ-CD1 4.14Å; F283-L361 HydrophobicContact CZ-CD2 4.16Å; F283-L361 HydrophobicContact CZ-CG 4.21Å; F283-T365 HydrophobicContact CE1-CG2 3.96Å; F283-T365 VanDerWaalsContact CE1-OG1 3.29Å; F283-T365 WeakPolarHBondContact CE1-OG1 3.46Å
284	A	92.1	Very high	91.7	Very high	54 Å²	54	45.8 Å²	45.8	45%	0.446	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-42.1	175.2	0	0	0	0	0	110.8	T280 F281 L287 V288	T280-A284 PolarHBondContact O-N 3.36Å; F281-A284 PolarHBondContact O-N 2.92Å; A284-L287 WeakPolarHBondContact O-CB 3.5Å; A284-L287 PolarHBondContact O-N 3.09Å; A284-V288 WeakPolarHBondContact O-CG2 3.49Å; A284-V288 PolarHBondContact O-N 3.19Å
285	M	89.4	Confident	91.8	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-42.8	177.5	-80.3	-53.4	-41.8	0	0	113.5	F281 P282 F283 L287 V288 L289 L419 M423	F281-M285 HydrophobicContact CD1-CG 3.73Å; F281-M285 HydrophobicContact CE1-CB 4.5Å; F281-M285 HydrophobicContact CE1-CG 3.25Å; F281-M285 HydrophobicContact CE1-SD 4.14Å; F281-M285 HydrophobicContact CE2-CG 4.42Å; F281-M285 HydrophobicContact CZ-CG 3.65Å; F281-M285 HydrophobicContact CZ-SD 3.96Å; F281-M285 PolarHBondContact O-N 3.22Å; P282-M285 PolarHBondContact O-N 2.96Å; F283-M285 VanDerWaalsContact C-N 3.28Å; F283-M285 PolarHBondContact O-N 3.27Å; M285-L287 PolarHBondContact O-N 3.11Å; M285-V288 HydrophobicContact CE-CB 4.44Å; M285-V288 HydrophobicContact CE-CG1 4.47Å; M285-V288 PolarHBondContact O-N 2.91Å; M285-V288 VanDerWaalsContact O-N 3.13Å; M285-L289 HydrophobicContact CE-CG 4.26Å; M285-L289 WeakPolarHBondContact O-CG 3.32Å; M285-L289 PolarHBondContact O-N 2.81Å; M285-L419 HydrophobicContact CE-CB 3.53Å; M285-L419 HydrophobicContact CE-CD1 3.88Å; M285-L419 HydrophobicContact CE-CG 4.19Å; M285-L419 HydrophobicContact SD-CB 4.06Å; M285-L419 HydrophobicContact SD-CD1 4.07Å; M285-L419 HydrophobicContact SD-CD2 3.95Å; M285-L419 HydrophobicContact SD-CG 4.26Å; M285-M423 HydrophobicContact CB-CB 4.09Å; M285-M423 HydrophobicContact CB-CG 3.94Å; M285-M423 HydrophobicContact CB-SD 3.82Å; M285-M423 HydrophobicContact CG-CB 4.34Å
286	L	89.8	Confident	91.8	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.052	26%	0.258	C	S	.	.	H	α-helix	trans	-59	-39.2	174.5	-77.8	173.1	0	0	0	111.2	V93 P282 F283 L289 L290 T365 M423	V93-L286 HydrophobicContact CG2-CD2 4.08Å; P282-L286 WeakPolarHBondContact O-CB 3.45Å; P282-L286 VanDerWaalsContact O-CG 3.29Å; P282-L286 WeakPolarHBondContact O-CG 3.35Å; P282-L286 PolarHBondContact O-N 2.99Å; F283-L286 PolarHBondContact O-N 3.14Å; L286-L289 PolarHBondContact O-N 3.23Å; L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 PolarHBondContact O-N 3.46Å; L286-T365 HydrophobicContact CD1-CG2 3.88Å; L286-M423 HydrophobicContact CD2-CE 4.39Å; L286-M423 HydrophobicContact CD2-SD 3.9Å; L286-M423 HydrophobicContact CG-SD 3.97Å
287	L	92.2	Very high	91.8	Very high	108 Å²	108	47.8 Å²	47.8	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-63.7	-44.3	174.3	-178.3	64.8	0	0	0	111.8	F283 A284 M285 L290 V291	F283-L287 PolarHBondContact O-N 2.86Å; A284-L287 WeakPolarHBondContact O-CB 3.5Å; A284-L287 PolarHBondContact O-N 3.09Å; M285-L287 PolarHBondContact O-N 3.11Å; L287-L290 PolarHBondContact O-N 3.43Å; L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 3.07Å
288	V	92.1	Very high	91.8	Very high	66 Å²	66	42.9 Å²	42.9	40%	0.4	25%	0.246	S	C	.	.	H	α-helix	trans	-61.9	-46	176.7	170.3	0	0	0	0	111.1	A284 M285 L290 V291 R292 W416	A284-V288 WeakPolarHBondContact O-CG2 3.49Å; A284-V288 PolarHBondContact O-N 3.19Å; M285-V288 HydrophobicContact CE-CB 4.44Å; M285-V288 HydrophobicContact CE-CG1 4.47Å; M285-V288 PolarHBondContact O-N 2.91Å; M285-V288 VanDerWaalsContact O-N 3.13Å; V288-L290 VanDerWaalsContact C-N 3.34Å; V288-V291 PolarHBondContact O-N 3.5Å; V288-R292 WeakPolarHBondContact O-CB 3.43Å; V288-R292 PolarHBondContact O-N 3.17Å; V288-W416 HydrophobicContact CG1-CH2 4.47Å; V288-W416 HydrophobicContact CG1-CZ3 3.97Å
289	L	88.3	Confident	91.8	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-66.5	-35.6	177.8	-68.5	-177.6	0	0	0	112.3	M285 L286 R292 G293 Y403 W416 F420 M423	M285-L289 HydrophobicContact CE-CG 4.26Å; M285-L289 WeakPolarHBondContact O-CG 3.32Å; M285-L289 PolarHBondContact O-N 2.81Å; L286-L289 PolarHBondContact O-N 3.23Å; L289-R292 PolarHBondContact O-N 3.22Å; L289-G293 WeakPolarHBondContact O-CA 3.38Å; L289-G293 PolarHBondContact O-N 2.81Å; L289-Y403 WeakPolarHBondContact CD1-OH 3.18Å; L289-Y403 WeakPolarHBondContact CD2-OH 3.24Å; L289-W416 HydrophobicContact CD2-CE3 4.12Å; L289-W416 HydrophobicContact CD2-CZ3 4.32Å; L289-F420 HydrophobicContact CD1-CD2 4.26Å; L289-M423 HydrophobicContact CD1-CE 3.8Å; L289-M423 HydrophobicContact CD1-SD 3.84Å
290	L	93	Very high	91.9	Very high	30 Å²	30	45.1 Å²	45.1	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-53	174	178.1	66.2	0	0	0	110.9	L286 L287 V288 R292 G293 L294 V368 F371 A372	L286-L290 WeakPolarHBondContact O-CB 3.24Å; L286-L290 PolarHBondContact O-N 3.46Å; L287-L290 PolarHBondContact O-N 3.43Å; V288-L290 VanDerWaalsContact C-N 3.34Å; L290-R292 VanDerWaalsContact C-N 3.29Å; L290-R292 PolarHBondContact O-N 3.08Å; L290-G293 PolarHBondContact O-N 3.01Å; L290-L294 HydrophobicContact CD1-CD1 3.81Å; L290-L294 HydrophobicContact CD1-CG 4.02Å; L290-L294 HydrophobicContact CG-CD1 3.95Å; L290-L294 HydrophobicContact CG-CG 4.44Å; L290-L294 WeakPolarHBondContact O-CB 3.47Å; L290-L294 VanDerWaalsContact O-CG 3.22Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.32Å; L290-V368 HydrophobicContact CD2-CG1 3.88Å; L290-F371 HydrophobicContact CD1-CB 3.48Å; L290-F371 VanDerWaalsContact CD1-CB 3.48Å; L290-A372 HydrophobicContact CB-CB 4.19Å; L290-A372 HydrophobicContact CD1-CB 4.34Å
291	V	94.6	Very high	91.9	Very high	88 Å²	88	44.2 Å²	44.2	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-45.5	178.1	173.5	0	0	0	0	109.9	L287 V288 T295	L287-V291 WeakPolarHBondContact O-CG2 3.39Å; L287-V291 PolarHBondContact O-N 3.07Å; V288-V291 PolarHBondContact O-N 3.5Å; V291-T295 VanDerWaalsContact O-CG2 3.24Å; V291-T295 WeakPolarHBondContact O-CG2 3.45Å; V291-T295 PolarHBondContact O-N 2.94Å; V291-T295 PolarHBondContact O-OG1 3.21Å
292	R	91.6	Very high	92	Very high	56 Å²	56	41.7 Å²	41.7	21%	0.211	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-52.6	178	179.8	56	-178.6	154.3	-0.4	111.6	V288 L289 L290 L294 T295 L296 W416	V288-R292 WeakPolarHBondContact O-CB 3.43Å; V288-R292 PolarHBondContact O-N 3.17Å; L289-R292 PolarHBondContact O-N 3.22Å; L290-R292 VanDerWaalsContact C-N 3.29Å; L290-R292 PolarHBondContact O-N 3.08Å; R292-L294 PolarHBondContact O-N 2.95Å; R292-T295 PolarHBondContact O-N 2.81Å; R292-T295 VanDerWaalsContact O-N 3.1Å; R292-T295 PolarHBondContact O-OG1 2.92Å; R292-L296 PolarHBondContact O-N 3.11Å; R292-W416 HydrophobicContact CB-CH2 3.9Å; R292-W416 HydrophobicContact CB-CZ3 4.1Å; R292-W416 HydrophobicContact CG-CH2 3.64Å; R292-W416 HydrophobicContact CG-CZ2 3.9Å; R292-W416 HydrophobicContact CG-CZ3 3.99Å
293	G	91.9	Very high	92.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-45.3	-178.6	0	0	0	0	0	112.6	L289 L290 T295 L296 A299 S375	L289-G293 WeakPolarHBondContact O-CA 3.38Å; L289-G293 PolarHBondContact O-N 2.81Å; L290-G293 PolarHBondContact O-N 3.01Å; G293-T295 PolarHBondContact O-N 3.3Å; G293-L296 WeakPolarHBondContact O-CB 3.33Å; G293-L296 PolarHBondContact O-N 3.2Å; G293-L296 VanDerWaalsContact O-N 3.15Å; G293-A299 WeakPolarHBondContact O-CB 3.44Å; G293-S375 VanDerWaalsContact C-CB 3.48Å; G293-S375 VanDerWaalsContact C-OG 3.27Å; G293-S375 VanDerWaalsContact CA-OG 3.28Å; G293-S375 WeakPolarHBondContact CA-OG 3.03Å; G293-S375 WeakPolarHBondContact O-CB 3.35Å
294	L	94.6	Very high	92.4	Very high	83 Å²	83	46.9 Å²	46.9	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-65.9	-23.2	178.5	-67.2	178.7	0	0	0	113.8	L290 R292 I303	L290-L294 HydrophobicContact CD1-CD1 3.81Å; L290-L294 HydrophobicContact CD1-CG 4.02Å; L290-L294 HydrophobicContact CG-CD1 3.95Å; L290-L294 HydrophobicContact CG-CG 4.44Å; L290-L294 WeakPolarHBondContact O-CB 3.47Å; L290-L294 VanDerWaalsContact O-CG 3.22Å; L290-L294 WeakPolarHBondContact O-CG 3.4Å; L290-L294 PolarHBondContact O-N 3.32Å; R292-L294 PolarHBondContact O-N 2.95Å; L294-I303 HydrophobicContact CD2-CD1 3.48Å; L294-I303 VanDerWaalsContact CD2-CD1 3.48Å
295	T	93.9	Very high	92.2	Very high	91 Å²	91	47.4 Å²	47.4	56%	0.558	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.7	176.8	62.3	0	0	0	0	113.9	V291 R292 G293	V291-T295 VanDerWaalsContact O-CG2 3.24Å; V291-T295 WeakPolarHBondContact O-CG2 3.45Å; V291-T295 PolarHBondContact O-N 2.94Å; V291-T295 PolarHBondContact O-OG1 3.21Å; R292-T295 PolarHBondContact O-N 2.81Å; R292-T295 VanDerWaalsContact O-N 3.1Å; R292-T295 PolarHBondContact O-OG1 2.92Å; G293-T295 PolarHBondContact O-N 3.3Å
296	L	92.6	Very high	92.5	Very high	13 Å²	13	47 Å²	47	7%	0.068	27%	0.273	C	S	.	.	S	Bend	trans	-77.7	147.4	179.3	-70	169.6	0	0	0	111.5	R292 G293 A299 I376 F379 M410	R292-L296 PolarHBondContact O-N 3.11Å; G293-L296 WeakPolarHBondContact O-CB 3.33Å; G293-L296 PolarHBondContact O-N 3.2Å; G293-L296 VanDerWaalsContact O-N 3.15Å; L296-A299 WeakPolarHBondContact O-CB 3.45Å; L296-A299 PolarHBondContact O-N 2.79Å; L296-I376 HydrophobicContact CD1-CG1 4.34Å; L296-F379 HydrophobicContact CB-CB 3.78Å; L296-F379 HydrophobicContact CB-CD2 3.89Å; L296-F379 HydrophobicContact CB-CG 3.87Å; L296-F379 HydrophobicContact CD1-CB 4Å; L296-F379 HydrophobicContact CD1-CD1 3.81Å; L296-F379 HydrophobicContact CD1-CD2 4.42Å; L296-F379 HydrophobicContact CD1-CE1 4.4Å; L296-F379 HydrophobicContact CD1-CG 3.81Å; L296-F379 HydrophobicContact CD2-CD2 4.09Å; L296-F379 HydrophobicContact CD2-CE2 4.1Å; L296-F379 HydrophobicContact CD2-CG 4.29Å; L296-F379 HydrophobicContact CD2-CZ 4.31Å; L296-F379 HydrophobicContact CG-CB 4.45Å; L296-F379 HydrophobicContact CG-CD2 4.36Å; L296-F379 HydrophobicContact CG-CG 4.2Å; L296-M410 HydrophobicContact CD1-CE 3.7Å; L296-M410 HydrophobicContact CD1-SD 4.16Å
297	P	92.2	Very high	92.7	Very high	73 Å²	73	48.6 Å²	48.6	47%	0.474	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	143.9	173.6	27.4	-32.1	0	0	0	110.1	A299 F379	P297-A299 VanDerWaalsContact C-N 3.28Å; P297-A299 PolarHBondContact O-N 3.4Å; P297-F379 HydrophobicContact CG-CD2 3.82Å; P297-F379 HydrophobicContact CG-CE2 4.01Å; P297-F379 VanDerWaalsContact O-CA 3.22Å; P297-F379 WeakPolarHBondContact O-CA 3.33Å; P297-F379 WeakPolarHBondContact O-CB 3.38Å; P297-F379 WeakPolarHBondContact O-CD2 3.39Å
298	G	91.3	Very high	92.8	Very high	18 Å²	18	51.1 Å²	51.1	19%	0.186	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-7	-178.5	0	0	0	0	0	115.4	G300 A301 G302 G378	G298-G300 PolarHBondContact O-N 2.91Å; G298-G300 VanDerWaalsContact O-N 3.16Å; G298-A301 WeakPolarHBondContact O-CB 3.32Å; G298-A301 PolarHBondContact O-N 2.85Å; G298-G302 PolarHBondContact O-N 3.43Å; G298-G378 CarbonylContact O-C 3.53Å
299	A	93.1	Very high	93	Very high	6 Å²	6	51.4 Å²	51.4	5%	0.05	29%	0.287	C	S	.	.	H	α-helix	trans	-53.8	-38.4	179.2	0	0	0	0	0	113.5	G293 L296 P297 A301 G302 I303	G293-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 WeakPolarHBondContact O-CB 3.45Å; L296-A299 PolarHBondContact O-N 2.79Å; P297-A299 VanDerWaalsContact C-N 3.28Å; P297-A299 PolarHBondContact O-N 3.4Å; A299-A301 VanDerWaalsContact C-N 3.32Å; A299-A301 PolarHBondContact O-N 2.85Å; A299-G302 PolarHBondContact O-N 2.95Å; A299-I303 WeakPolarHBondContact O-CG1 3.29Å; A299-I303 PolarHBondContact O-N 3.33Å
300	G	93.2	Very high	93.2	Very high	53 Å²	53	54.5 Å²	54.5	55%	0.546	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-35	178.3	0	0	0	0	0	113.9	G298 K304	G298-G300 PolarHBondContact O-N 2.91Å; G298-G300 VanDerWaalsContact O-N 3.16Å; G300-K304 WeakPolarHBondContact O-CB 3.35Å; G300-K304 PolarHBondContact O-N 2.96Å
301	A	92.3	Very high	93.3	Very high	47 Å²	47	58.9 Å²	58.9	39%	0.388	33%	0.326	S	S	.	.	H	α-helix	trans	-67.8	-41.6	175.7	0	0	0	0	0	110.9	G298 A299 K304 F305 I388	G298-A301 WeakPolarHBondContact O-CB 3.32Å; G298-A301 PolarHBondContact O-N 2.85Å; A299-A301 VanDerWaalsContact C-N 3.32Å; A299-A301 PolarHBondContact O-N 2.85Å; A301-K304 PolarHBondContact O-N 3.5Å; A301-F305 WeakPolarHBondContact O-CB 3.29Å; A301-F305 PolarHBondContact O-N 2.81Å; A301-I388 HydrophobicContact CB-CD1 3.98Å; A301-I388 WeakPolarHBondContact O-CD1 3.48Å
302	G	93.1	Very high	93.3	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-58.1	-48.5	173.1	0	0	0	0	0	113.4	G298 A299 K304 F305 Y306 F374	G298-G302 PolarHBondContact O-N 3.43Å; A299-G302 PolarHBondContact O-N 2.95Å; G302-K304 VanDerWaalsContact C-N 3.33Å; G302-K304 PolarHBondContact O-N 3.43Å; G302-F305 WeakPolarHBondContact O-CB 3.31Å; G302-F305 PolarHBondContact O-N 3.39Å; G302-F305 VanDerWaalsContact O-N 3.15Å; G302-Y306 PolarHBondContact O-N 2.83Å; G302-F374 VanDerWaalsContact CA-O 3.24Å; G302-F374 WeakPolarHBondContact CA-O 3.35Å
303	I	94.8	Very high	93.4	Very high	39 Å²	39	59.2 Å²	59.2	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-64.9	-39	178.4	-62.6	165.1	0	0	0	111.2	L294 A299 F305 Y306 L307 F371	L294-I303 HydrophobicContact CD2-CD1 3.48Å; L294-I303 VanDerWaalsContact CD2-CD1 3.48Å; A299-I303 WeakPolarHBondContact O-CG1 3.29Å; A299-I303 PolarHBondContact O-N 3.33Å; I303-F305 VanDerWaalsContact C-N 3.31Å; I303-F305 PolarHBondContact O-N 3.36Å; I303-Y306 WeakPolarHBondContact O-CB 3.2Å; I303-Y306 PolarHBondContact O-N 2.9Å; I303-L307 PolarHBondContact O-N 3.44Å; I303-L307 VanDerWaalsContact O-N 3.07Å; I303-F371 HydrophobicContact CD1-CD1 4.33Å; I303-F371 HydrophobicContact CG1-CD1 4.19Å; I303-F371 HydrophobicContact CG2-CD1 4.05Å; I303-F371 HydrophobicContact CG2-CE1 3.83Å
304	K	93.5	Very high	93.5	Very high	134 Å²	134	60.8 Å²	60.8	58%	0.583	34%	0.337	S	S	*	.	H	α-helix	trans	-59.8	-45.7	173.1	-173.3	-178.3	178.4	-173.7	0	110.2	G300 A301 G302 Y306 L307 Y308	G300-K304 WeakPolarHBondContact O-CB 3.35Å; G300-K304 PolarHBondContact O-N 2.96Å; A301-K304 PolarHBondContact O-N 3.5Å; G302-K304 VanDerWaalsContact C-N 3.33Å; G302-K304 PolarHBondContact O-N 3.43Å; K304-Y306 VanDerWaalsContact C-N 3.27Å; K304-Y306 PolarHBondContact O-N 3.31Å; K304-L307 PolarHBondContact O-N 2.81Å; K304-Y308 HydrophobicContact CG-CD2 4.29Å; K304-Y308 WeakPolarHBondContact O-CB 3.11Å; K304-Y308 PolarHBondContact O-N 3.18Å
305	F	89.8	Confident	93.3	Very high	66 Å²	66	64.9 Å²	64.9	29%	0.289	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-34.2	178	-163	-95.8	0	0	0	112.9	Y101 A301 G302 I303 F374 I388 A389	Y101-F305 HydrophobicContact CD2-CD1 4.21Å; Y101-F305 AromaticContact CD2-CE1 3.39Å; Y101-F305 HydrophobicContact CD2-CE1 3.39Å; Y101-F305 HydrophobicContact CD2-CZ 4.08Å; Y101-F305 AromaticContact CE2-CE1 3.91Å; Y101-F305 HydrophobicContact CE2-CE1 3.91Å; Y101-F305 HydrophobicContact CE2-CZ 4.41Å; Y101-F305 HydrophobicContact CG-CD1 4.34Å; Y101-F305 AromaticContact CG-CE1 3.92Å; Y101-F305 HydrophobicContact CG-CE1 3.92Å; A301-F305 WeakPolarHBondContact O-CB 3.29Å; A301-F305 PolarHBondContact O-N 2.81Å; G302-F305 WeakPolarHBondContact O-CB 3.31Å; G302-F305 PolarHBondContact O-N 3.39Å; G302-F305 VanDerWaalsContact O-N 3.15Å; I303-F305 VanDerWaalsContact C-N 3.31Å; I303-F305 PolarHBondContact O-N 3.36Å; F305-F374 HydrophobicContact CD1-CD1 4.29Å; F305-F374 AromaticContact CD1-CE1 3.82Å; F305-F374 HydrophobicContact CD1-CE1 3.82Å; F305-F374 HydrophobicContact CE1-CE1 4.43Å; F305-I388 HydrophobicContact CB-CB 4.45Å; F305-I388 HydrophobicContact CB-CD1 3.86Å; F305-I388 HydrophobicContact CB-CG2 4.11Å; F305-I388 HydrophobicContact CD1-CB 4.19Å; F305-I388 HydrophobicContact CD1-CG2 3.53Å; F305-I388 HydrophobicContact CD2-CB 4.07Å; F305-I388 HydrophobicContact CD2-CD1 4.44Å; F305-I388 HydrophobicContact CD2-CG2 4.31Å; F305-I388 HydrophobicContact CE1-CB 4.43Å; F305-I388 HydrophobicContact CE1-CG2 3.93Å; F305-I388 HydrophobicContact CE2-CB 4.34Å; F305-I388 HydrophobicContact CG-CB 3.99Å; F305-I388 HydrophobicContact CG-CD1 4.26Å; F305-I388 HydrophobicContact CG-CG2 3.73Å; F305-I388 HydrophobicContact CZ-CG2 4.49Å; F305-A389 HydrophobicContact CE2-CB 4.38Å; F305-A389 HydrophobicContact CZ-CB 3.83Å
306	Y	93.9	Very high	93.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-68.5	-42.6	176.3	174.9	-141.3	0	0	0	113.8	F96 C100 G105 G302 I303 K304 F367 F371 F374	F96-Y306 WeakPolarHBondContact CE1-OH 3.29Å; C100-Y306 HydrophobicContact CB-CD2 4.01Å; C100-Y306 HydrophobicContact CB-CE2 3.55Å; C100-Y306 WeakPolarHBondContact SG-CE2 3.43Å; G105-Y306 VanDerWaalsContact CA-O 3.26Å; G105-Y306 WeakPolarHBondContact CA-O 2.98Å; G302-Y306 PolarHBondContact O-N 2.83Å; I303-Y306 WeakPolarHBondContact O-CB 3.2Å; I303-Y306 PolarHBondContact O-N 2.9Å; K304-Y306 VanDerWaalsContact C-N 3.27Å; K304-Y306 PolarHBondContact O-N 3.31Å; Y306-F367 PolarHBondContact OH-O 3.49Å; Y306-F367 VanDerWaalsContact OH-O 3.05Å; Y306-F371 HydrophobicContact CE1-CD2 4.02Å; Y306-F371 HydrophobicContact CE1-CE2 4.07Å; Y306-F371 HydrophobicContact CE1-CG 4.41Å; Y306-F374 AromaticContact CD2-CD2 3.85Å; Y306-F374 HydrophobicContact CD2-CD2 3.85Å; Y306-F374 HydrophobicContact CD2-CE2 4.12Å; Y306-F374 HydrophobicContact CD2-CG 4.42Å; Y306-F374 HydrophobicContact CG-CB 4.31Å; Y306-F374 AromaticContact CG-CD2 3.89Å; Y306-F374 HydrophobicContact CG-CD2 3.89Å; Y306-F374 HydrophobicContact CG-CG 4.06Å
307	L	95.3	Very high	92.8	Very high	45 Å²	45	64.3 Å²	64.3	24%	0.236	35%	0.349	C	S	.	.	H	α-helix	trans	-116	-9.6	-167	-67.2	178.8	0	0	0	115.6	G106 I303 K304 P309 F367 F371	G106-L307 WeakPolarHBondContact CA-O 3.46Å; G106-L307 PolarHBondContact N-O 2.98Å; I303-L307 PolarHBondContact O-N 3.44Å; I303-L307 VanDerWaalsContact O-N 3.07Å; K304-L307 PolarHBondContact O-N 2.81Å; L307-P309 VanDerWaalsContact O-CD 3.3Å; L307-P309 WeakPolarHBondContact O-CD 2.95Å; L307-P309 VanDerWaalsContact O-N 3.12Å; L307-F367 HydrophobicContact CD1-CZ 4.4Å; L307-F367 HydrophobicContact CD2-CE2 3.91Å; L307-F371 HydrophobicContact CD1-CE1 3.89Å; L307-F371 HydrophobicContact CD1-CE2 4.33Å; L307-F371 HydrophobicContact CD1-CZ 3.52Å
308	Y	94.3	Very high	92.5	Very high	160 Å²	160	63.9 Å²	63.9	63%	0.627	34%	0.341	S	S	*	.			trans	-62	118.8	179.7	-165.1	-96.1	0	0	0	109.6	K304 D310	K304-Y308 HydrophobicContact CG-CD2 4.29Å; K304-Y308 WeakPolarHBondContact O-CB 3.11Å; K304-Y308 PolarHBondContact O-N 3.18Å; Y308-D310 PolarHBondContact O-N 3.24Å
309	P	95.2	Very high	92.5	Very high	72 Å²	72	63 Å²	63	47%	0.468	33%	0.332	S	S	.	.			trans	-80.7	125.9	-168.7	30.3	-33.3	0	0	0	111.1	G104 A107 L307	G104-P309 WeakPolarHBondContact O-CA 3.17Å; A107-P309 HydrophobicContact CB-CB 4.34Å; L307-P309 VanDerWaalsContact O-CD 3.3Å; L307-P309 WeakPolarHBondContact O-CD 2.95Å; L307-P309 VanDerWaalsContact O-N 3.12Å
310	D	93.5	Very high	92.3	Very high	70 Å²	70	66.4 Å²	66.4	37%	0.374	34%	0.343	S	S	.	.			trans	-110.6	99.8	166	-179.1	4.6	0	0	0	109.4	G104 A107 Y308 T312 R313	G104-D310 PolarHBondContact O-N 3.13Å; A107-D310 WeakPolarHBondContact CB-O 3.3Å; Y308-D310 PolarHBondContact O-N 3.24Å; D310-T312 VanDerWaalsContact CG-OG1 3.32Å; D310-T312 PolarHBondContact O-N 2.86Å; D310-T312 WeakPolarHBondContact OD1-CB 3.46Å; D310-T312 PolarHBondContact OD1-N 2.78Å; D310-T312 VanDerWaalsContact OD1-N 3.1Å; D310-T312 PolarHBondContact OD1-OG1 3.12Å; D310-T312 PolarHBondContact OD2-OG1 2.71Å; D310-R313 HydrophobicContact CB-CG 4.28Å; D310-R313 PolarHBondContact O-N 3.44Å
311	I	94.8	Very high	92	Very high	122 Å²	122	64.5 Å²	64.5	63%	0.626	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-68.7	-25.8	-175.2	-59.2	175.7	0	0	0	111.3	R313 L314	I311-R313 PolarHBondContact O-N 3.04Å; I311-L314 HydrophobicContact CG2-CD1 4.27Å; I311-L314 WeakPolarHBondContact O-CB 3.49Å; I311-L314 PolarHBondContact O-N 3.34Å
312	T	95.1	Very high	91.8	Very high	90 Å²	90	63.2 Å²	63.2	55%	0.552	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-63	-26.9	-178.7	69.2	0	0	0	0	111.9	D310 L314 E315	D310-T312 VanDerWaalsContact CG-OG1 3.32Å; D310-T312 PolarHBondContact O-N 2.86Å; D310-T312 WeakPolarHBondContact OD1-CB 3.46Å; D310-T312 PolarHBondContact OD1-N 2.78Å; D310-T312 VanDerWaalsContact OD1-N 3.1Å; D310-T312 PolarHBondContact OD1-OG1 3.12Å; D310-T312 PolarHBondContact OD2-OG1 2.71Å; T312-L314 PolarHBondContact O-N 3.24Å; T312-E315 WeakPolarHBondContact O-CB 3.4Å; T312-E315 PolarHBondContact O-N 3.26Å
313	R	93.2	Very high	91.8	Very high	61 Å²	61	63.2 Å²	63.2	23%	0.23	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-63.2	-24.5	175.3	-67.4	-67.6	-63	125.5	4.6	113.1	K102 N103 D310 I311 E315 D316 V319	K102-R313 PolarHBondContact O-NE 2.98Å; N103-R313 PolarHBondContact OD1-NH2 3.46Å; D310-R313 HydrophobicContact CB-CG 4.28Å; D310-R313 PolarHBondContact O-N 3.44Å; I311-R313 PolarHBondContact O-N 3.04Å; R313-E315 PolarHBondContact O-N 3.01Å; R313-D316 IonicContact CZ-OD2 3.71Å; R313-D316 IonicContact NH1-OD2 2.64Å; R313-D316 PolarHBondContact NH1-OD2 3.24Å; R313-D316 IonicContact NH2-OD2 3.64Å; R313-D316 PolarHBondContact NH2-OD2 3.04Å; R313-D316 WeakPolarHBondContact O-CB 3.48Å; R313-D316 PolarHBondContact O-N 2.63Å; R313-D316 VanDerWaalsContact O-N 3.08Å; R313-V319 HydrophobicContact CB-CG2 4.34Å; R313-V319 WeakPolarHBondContact O-CG2 3.29Å
314	L	93.3	Very high	91.5	Very high	34 Å²	34	61.4 Å²	61.4	18%	0.178	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-68.1	-17.5	179.9	-63.1	-180	0	0	0	113.8	A107 I110 P111 I311 T312 V319 W320	A107-L314 HydrophobicContact CB-CD1 4.47Å; A107-L314 HydrophobicContact CB-CD2 4.46Å; A107-L314 HydrophobicContact CB-CG 4.35Å; I110-L314 HydrophobicContact CD1-CD1 3.96Å; P111-L314 HydrophobicContact CG-CD2 4.02Å; I311-L314 HydrophobicContact CG2-CD1 4.27Å; I311-L314 WeakPolarHBondContact O-CB 3.49Å; I311-L314 PolarHBondContact O-N 3.34Å; T312-L314 PolarHBondContact O-N 3.24Å; L314-V319 HydrophobicContact CD2-CG1 4.18Å; L314-W320 PolarHBondContact O-NE1 2.84Å; L314-W320 VanDerWaalsContact O-NE1 3.1Å
315	E	91.2	Very high	91.1	Very high	169 Å²	169	55.7 Å²	55.7	79%	0.79	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-70.9	-22.4	173.1	-62.1	-177.9	-178.4	0	0	112.3	T312 R313 P317	T312-E315 WeakPolarHBondContact O-CB 3.4Å; T312-E315 PolarHBondContact O-N 3.26Å; R313-E315 PolarHBondContact O-N 3.01Å; E315-P317 WeakPolarHBondContact O-CD 3.34Å
316	D	89.1	Confident	91.2	Very high	54 Å²	54	52.6 Å²	52.6	29%	0.289	26%	0.26	S	S	.	.	S	Bend	trans	-80.2	116.5	179.2	-179.5	0.9	0	0	0	110.7	R313 Q318 V319	R313-D316 IonicContact CZ-OD2 3.71Å; R313-D316 IonicContact NH1-OD2 2.64Å; R313-D316 PolarHBondContact NH1-OD2 3.24Å; R313-D316 IonicContact NH2-OD2 3.64Å; R313-D316 PolarHBondContact NH2-OD2 3.04Å; R313-D316 WeakPolarHBondContact O-CB 3.48Å; R313-D316 PolarHBondContact O-N 2.63Å; R313-D316 VanDerWaalsContact O-N 3.08Å; D316-Q318 PolarHBondContact O-N 3.44Å; D316-Q318 VanDerWaalsContact O-N 3.09Å; D316-Q318 VanDerWaalsContact OD1-CB 3.27Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.16Å; D316-Q318 PolarHBondContact OD1-N 3.49Å; D316-V319 HydrophobicContact CB-CG2 4.18Å; D316-V319 WeakPolarHBondContact O-CB 3.1Å; D316-V319 PolarHBondContact O-N 3.31Å
317	P	85.9	Confident	91.2	Very high	38 Å²	38	52.6 Å²	52.6	25%	0.247	26%	0.26	C	S	.	.	H	α-helix	trans	-58.1	-25.5	178.1	-24.2	35.2	0	0	0	113.7	E315 V319 W320 I321 F551	E315-P317 WeakPolarHBondContact O-CD 3.34Å; P317-V319 PolarHBondContact O-N 3.27Å; P317-W320 PolarHBondContact O-N 3.06Å; P317-W320 VanDerWaalsContact O-N 3.12Å; P317-I321 PolarHBondContact O-N 3.48Å; P317-F551 HydrophobicContact CB-CD1 4.33Å; P317-F551 HydrophobicContact CB-CG 4.4Å
318	Q	86.8	Confident	90.9	Very high	63 Å²	63	50.4 Å²	50.4	29%	0.294	25%	0.249	S	C	.	.	H	α-helix	trans	-60.7	-31.6	177.6	-171.1	61.5	38.1	0	0	111.8	D316 W320 I321 D322	D316-Q318 PolarHBondContact O-N 3.44Å; D316-Q318 VanDerWaalsContact O-N 3.09Å; D316-Q318 VanDerWaalsContact OD1-CB 3.27Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.16Å; D316-Q318 PolarHBondContact OD1-N 3.49Å; Q318-W320 VanDerWaalsContact C-N 3.28Å; Q318-W320 PolarHBondContact O-N 3.2Å; Q318-I321 PolarHBondContact O-N 2.92Å; Q318-D322 PolarHBondContact NE2-OD1 3.48Å; Q318-D322 WeakPolarHBondContact O-CB 3.43Å; Q318-D322 PolarHBondContact O-N 2.9Å
319	V	91.2	Very high	90.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-38.6	177.7	171	0	0	0	0	111.4	N103 F108 P111 R313 L314 D316 P317 A323	N103-V319 HydrophobicContact CB-CB 4.3Å; N103-V319 HydrophobicContact CB-CG1 3.97Å; N103-V319 HydrophobicContact CB-CG2 3.78Å; F108-V319 HydrophobicContact CD2-CG1 4.04Å; P111-V319 HydrophobicContact CG-CG1 3.89Å; R313-V319 HydrophobicContact CB-CG2 4.34Å; R313-V319 WeakPolarHBondContact O-CG2 3.29Å; L314-V319 HydrophobicContact CD2-CG1 4.18Å; D316-V319 HydrophobicContact CB-CG2 4.18Å; D316-V319 WeakPolarHBondContact O-CB 3.1Å; D316-V319 PolarHBondContact O-N 3.31Å; P317-V319 PolarHBondContact O-N 3.27Å; V319-A323 WeakPolarHBondContact O-CB 3.33Å; V319-A323 PolarHBondContact O-N 3.25Å
320	W	89.9	Confident	90.4	Very high	78 Å²	78	41.4 Å²	41.4	30%	0.295	21%	0.207	S	C	.	.	H	α-helix	trans	-73.9	-39.8	178.6	-63.8	83.7	0	0	0	112	P111 I114 F115 L314 P317 Q318 A323 G324	P111-W320 HydrophobicContact CB-CD2 3.87Å; P111-W320 HydrophobicContact CB-CE3 3.62Å; P111-W320 HydrophobicContact CB-CH2 4.22Å; P111-W320 HydrophobicContact CB-CZ2 4.44Å; P111-W320 HydrophobicContact CB-CZ3 3.8Å; I114-W320 HydrophobicContact CD1-CH2 3.69Å; I114-W320 HydrophobicContact CD1-CZ3 3.7Å; I114-W320 HydrophobicContact CG2-CZ3 4.41Å; F115-W320 HydrophobicContact CE2-CB 4.45Å; F115-W320 HydrophobicContact CE2-CE3 4.07Å; F115-W320 VanDerWaalsContact CE2-O 3.31Å; F115-W320 WeakPolarHBondContact CE2-O 3.4Å; L314-W320 PolarHBondContact O-NE1 2.84Å; L314-W320 VanDerWaalsContact O-NE1 3.1Å; P317-W320 PolarHBondContact O-N 3.06Å; P317-W320 VanDerWaalsContact O-N 3.12Å; Q318-W320 VanDerWaalsContact C-N 3.28Å; Q318-W320 PolarHBondContact O-N 3.2Å; W320-A323 PolarHBondContact O-N 3.33Å; W320-G324 PolarHBondContact O-N 3.12Å
321	I	85.4	Confident	90.3	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.067	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-46.1	174.3	-63.2	170.7	0	0	0	110.3	P317 Q318 A323 G324 T325 F551	P317-I321 PolarHBondContact O-N 3.48Å; Q318-I321 PolarHBondContact O-N 2.92Å; I321-A323 VanDerWaalsContact C-N 3.33Å; I321-A323 PolarHBondContact O-N 2.89Å; I321-G324 PolarHBondContact O-N 3.27Å; I321-T325 WeakPolarHBondContact O-CB 3.36Å; I321-T325 PolarHBondContact O-N 3.23Å; I321-T325 PolarHBondContact O-OG1 3.28Å; I321-F551 HydrophobicContact CD1-CB 3.89Å; I321-F551 HydrophobicContact CG1-CB 4.4Å
322	D	88.8	Confident	90.1	Very high	20 Å²	20	32.5 Å²	32.5	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-41.1	178.3	-77.9	1.2	0	0	0	110.7	L99 K102 N103 F108 Q318 Q326	L99-D322 HydrophobicContact CD2-CB 4.13Å; K102-D322 IonicContact NZ-OD2 3.24Å; K102-D322 PolarHBondContact NZ-OD2 3.28Å; N103-D322 VanDerWaalsContact ND2-CB 3.3Å; N103-D322 WeakPolarHBondContact ND2-CB 3.49Å; N103-D322 PolarHBondContact ND2-OD2 2.92Å; F108-D322 HydrophobicContact CE2-CB 4.42Å; Q318-D322 PolarHBondContact NE2-OD1 3.48Å; Q318-D322 WeakPolarHBondContact O-CB 3.43Å; Q318-D322 PolarHBondContact O-N 2.9Å; D322-Q326 WeakPolarHBondContact O-CB 3.46Å; D322-Q326 PolarHBondContact O-N 3.35Å
323	A	92.3	Very high	90	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-50.2	176.4	0	0	0	0	0	112.8	F108 P111 F115 V319 W320 I321 Q326 I327	F108-A323 HydrophobicContact CE2-CB 3.7Å; F108-A323 HydrophobicContact CZ-CB 3.98Å; P111-A323 HydrophobicContact CB-CB 3.84Å; P111-A323 HydrophobicContact CG-CB 4.26Å; F115-A323 HydrophobicContact CD2-CB 4.02Å; F115-A323 HydrophobicContact CE2-CB 4.47Å; V319-A323 WeakPolarHBondContact O-CB 3.33Å; V319-A323 PolarHBondContact O-N 3.25Å; W320-A323 PolarHBondContact O-N 3.33Å; I321-A323 VanDerWaalsContact C-N 3.33Å; I321-A323 PolarHBondContact O-N 2.89Å; A323-Q326 PolarHBondContact O-N 2.96Å; A323-I327 WeakPolarHBondContact O-CG1 3.44Å; A323-I327 PolarHBondContact O-N 2.96Å
324	G	89.2	Confident	90	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-46.2	179.2	0	0	0	0	0	112.2	F115 W320 I321 Q326 I327 F328	F115-G324 VanDerWaalsContact CG-CA 3.45Å; W320-G324 PolarHBondContact O-N 3.12Å; I321-G324 PolarHBondContact O-N 3.27Å; G324-Q326 VanDerWaalsContact C-N 3.34Å; G324-Q326 PolarHBondContact O-N 2.96Å; G324-I327 PolarHBondContact O-N 3.47Å; G324-F328 WeakPolarHBondContact O-CD1 3.4Å; G324-F328 PolarHBondContact O-N 2.85Å
325	T	86	Confident	90	Very high	14 Å²	14	23.9 Å²	23.9	9%	0.086	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-46.3	175.7	-58.9	0	0	0	0	110.7	I321 I327 F328 F329	I321-T325 WeakPolarHBondContact O-CB 3.36Å; I321-T325 PolarHBondContact O-N 3.23Å; I321-T325 PolarHBondContact O-OG1 3.28Å; T325-I327 VanDerWaalsContact C-N 3.33Å; T325-I327 PolarHBondContact O-N 3.18Å; T325-F328 PolarHBondContact O-N 2.98Å; T325-F329 HydrophobicContact CG2-CD2 3.4Å; T325-F329 VanDerWaalsContact CG2-CD2 3.4Å; T325-F329 HydrophobicContact CG2-CE2 3.42Å; T325-F329 VanDerWaalsContact CG2-CE2 3.42Å; T325-F329 WeakPolarHBondContact O-CB 3.36Å; T325-F329 VanDerWaalsContact O-CD2 3.31Å; T325-F329 WeakPolarHBondContact O-CD2 3.26Å; T325-F329 PolarHBondContact O-N 3.49Å
326	Q	91.5	Very high	90	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-58.8	-42.8	177.5	178.5	58.4	33.2	0	0	112.2	R95 F96 L99 Y112 D322 A323 G324 S330	R95-Q326 VanDerWaalsContact CD-OE1 3.27Å; R95-Q326 VanDerWaalsContact CG-OE1 3.3Å; F96-Q326 HydrophobicContact CD2-CG 4.17Å; L99-Q326 HydrophobicContact CD1-CB 3.79Å; L99-Q326 HydrophobicContact CD1-CG 4.14Å; Y112-Q326 HydrophobicContact CE2-CG 4.15Å; D322-Q326 WeakPolarHBondContact O-CB 3.46Å; D322-Q326 PolarHBondContact O-N 3.35Å; A323-Q326 PolarHBondContact O-N 2.96Å; G324-Q326 VanDerWaalsContact C-N 3.34Å; G324-Q326 PolarHBondContact O-N 2.96Å; Q326-S330 WeakPolarHBondContact O-CA 3.47Å; Q326-S330 WeakPolarHBondContact O-CB 3.22Å; Q326-S330 PolarHBondContact O-N 3.44Å
327	I	92.8	Very high	90.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.9	-45.5	177.8	-71.3	-68.2	0	0	0	110.9	Y112 F115 L116 G120 A323 G324 T325 S330 Y331	Y112-I327 HydrophobicContact CD1-CD1 4.39Å; Y112-I327 HydrophobicContact CD2-CD1 3.75Å; Y112-I327 HydrophobicContact CD2-CG1 4.06Å; Y112-I327 HydrophobicContact CE1-CD1 3.99Å; Y112-I327 HydrophobicContact CE2-CD1 3.29Å; Y112-I327 HydrophobicContact CE2-CG1 3.97Å; Y112-I327 HydrophobicContact CG-CD1 4.28Å; Y112-I327 VanDerWaalsContact CZ-CD1 3.42Å; F115-I327 HydrophobicContact CB-CB 4.26Å; F115-I327 HydrophobicContact CB-CG1 3.84Å; L116-I327 HydrophobicContact CB-CD1 3.93Å; L116-I327 HydrophobicContact CD1-CD1 4.16Å; G120-I327 VanDerWaalsContact CA-CG2 3.42Å; A323-I327 WeakPolarHBondContact O-CG1 3.44Å; A323-I327 PolarHBondContact O-N 2.96Å; G324-I327 PolarHBondContact O-N 3.47Å; T325-I327 VanDerWaalsContact C-N 3.33Å; T325-I327 PolarHBondContact O-N 3.18Å; I327-S330 PolarHBondContact O-N 3.42Å; I327-Y331 HydrophobicContact CD1-CE2 4.4Å; I327-Y331 HydrophobicContact CG2-CD2 4.27Å; I327-Y331 VanDerWaalsContact O-CD2 3.3Å; I327-Y331 WeakPolarHBondContact O-CD2 3.25Å; I327-Y331 PolarHBondContact O-N 3.27Å
328	F	90.4	Very high	90.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68	-45	-174.5	-77.7	40.6	0	0	0	111.3	S119 G324 T325 A332 I333 L497 L498 A501	S119-F328 WeakPolarHBondContact OG-CE1 3.36Å; S119-F328 WeakPolarHBondContact OG-CZ 3.45Å; G324-F328 WeakPolarHBondContact O-CD1 3.4Å; G324-F328 PolarHBondContact O-N 2.85Å; T325-F328 PolarHBondContact O-N 2.98Å; F328-A332 PolarHBondContact O-N 2.97Å; F328-I333 HydrophobicContact CB-CD1 4.3Å; F328-I333 HydrophobicContact CB-CG1 4.17Å; F328-I333 HydrophobicContact CD1-CD1 4Å; F328-I333 HydrophobicContact CD2-CD1 4.22Å; F328-I333 HydrophobicContact CE1-CD1 4.41Å; F328-I333 HydrophobicContact CG-CD1 3.9Å; F328-I333 HydrophobicContact CG-CG1 4.25Å; F328-I333 WeakPolarHBondContact O-CG1 3.26Å; F328-I333 PolarHBondContact O-N 3.41Å; F328-L497 HydrophobicContact CB-CB 4.38Å; F328-L497 HydrophobicContact CB-CD1 4.18Å; F328-L497 HydrophobicContact CD2-CB 4.06Å; F328-L498 HydrophobicContact CD2-CD2 4.15Å; F328-L498 HydrophobicContact CE1-CD2 4.39Å; F328-L498 HydrophobicContact CE2-CD2 3.61Å; F328-L498 HydrophobicContact CE2-CG 4.32Å; F328-L498 HydrophobicContact CZ-CD2 3.76Å; F328-A501 HydrophobicContact CD2-CB 4.29Å; F328-A501 HydrophobicContact CE2-CB 3.42Å; F328-A501 VanDerWaalsContact CE2-CB 3.42Å; F328-A501 HydrophobicContact CZ-CB 4.14Å
329	F	86.4	Confident	91.1	Very high	38 Å²	38	8.6 Å²	8.6	17%	0.167	4%	0.04	C	C	.	.	H	α-helix	trans	-64.3	-44.2	173	-85.9	-77.3	0	0	0	112.4	T325 Y331 A332 A492 L497	T325-F329 HydrophobicContact CG2-CD2 3.4Å; T325-F329 VanDerWaalsContact CG2-CD2 3.4Å; T325-F329 HydrophobicContact CG2-CE2 3.42Å; T325-F329 VanDerWaalsContact CG2-CE2 3.42Å; T325-F329 WeakPolarHBondContact O-CB 3.36Å; T325-F329 VanDerWaalsContact O-CD2 3.31Å; T325-F329 WeakPolarHBondContact O-CD2 3.26Å; T325-F329 PolarHBondContact O-N 3.49Å; F329-Y331 PolarHBondContact O-N 3.36Å; F329-A332 PolarHBondContact O-N 3.16Å; F329-A492 HydrophobicContact CE1-CB 4.31Å; F329-A492 WeakPolarHBondContact CE1-O 3.38Å; F329-A492 WeakPolarHBondContact CZ-O 3.4Å; F329-L497 HydrophobicContact CD1-CD1 4.11Å; F329-L497 HydrophobicContact CD2-CD1 3.96Å; F329-L497 HydrophobicContact CE1-CD1 4.25Å; F329-L497 HydrophobicContact CE2-CD1 4.11Å; F329-L497 HydrophobicContact CG-CD1 4.02Å; F329-L497 HydrophobicContact CZ-CD1 4.32Å
330	S	91.5	Very high	91.3	Very high	5 Å²	5	8.7 Å²	8.7	4%	0.035	4%	0.041	C	C	.	.	H	α-helix	trans	-69.8	-17	-176.8	-174.1	0	0	0	0	113.6	F87 Q326 I327 N362	F87-S330 WeakPolarHBondContact CB-O 3.32Å; Q326-S330 WeakPolarHBondContact O-CA 3.47Å; Q326-S330 WeakPolarHBondContact O-CB 3.22Å; Q326-S330 PolarHBondContact O-N 3.44Å; I327-S330 PolarHBondContact O-N 3.42Å; S330-N362 PolarHBondContact O-ND2 2.84Å; S330-N362 PolarHBondContact O-OD1 3.46Å; S330-N362 PolarHBondContact OG-ND2 3.46Å; S330-N362 VanDerWaalsContact OG-ND2 3.12Å; S330-N362 PolarHBondContact OG-OD1 3.06Å
331	Y	91.3	Very high	91.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-100.1	-4.9	172.4	-81.8	-103.8	0	0	0	112.7	F87 L116 L121 F124 I327 F329 I333 G359 N362	F87-Y331 HydrophobicContact CD2-CD1 4.09Å; F87-Y331 HydrophobicContact CD2-CE1 4.38Å; F87-Y331 HydrophobicContact CD2-CG 4.39Å; F87-Y331 HydrophobicContact CE2-CD1 4.31Å; F87-Y331 HydrophobicContact CE2-CE1 4.21Å; L116-Y331 HydrophobicContact CD1-CE2 3.76Å; L116-Y331 WeakPolarHBondContact CD1-OH 3.26Å; L121-Y331 HydrophobicContact CD2-CE1 4.2Å; F124-Y331 HydrophobicContact CB-CD1 3.87Å; F124-Y331 AromaticContact CD1-CD1 3.92Å; F124-Y331 HydrophobicContact CD1-CD1 3.92Å; F124-Y331 HydrophobicContact CD1-CE1 4.03Å; F124-Y331 HydrophobicContact CD2-CD1 4.41Å; F124-Y331 AromaticContact CG-CD1 3.82Å; F124-Y331 HydrophobicContact CG-CD1 3.82Å; F124-Y331 HydrophobicContact CG-CE1 4.37Å; I327-Y331 HydrophobicContact CD1-CE2 4.4Å; I327-Y331 HydrophobicContact CG2-CD2 4.27Å; I327-Y331 VanDerWaalsContact O-CD2 3.3Å; I327-Y331 WeakPolarHBondContact O-CD2 3.25Å; I327-Y331 PolarHBondContact O-N 3.27Å; F329-Y331 PolarHBondContact O-N 3.36Å; Y331-I333 PolarHBondContact O-N 3.43Å; Y331-G359 VanDerWaalsContact OH-C 3.3Å; Y331-G359 WeakPolarHBondContact OH-CA 3.31Å; Y331-G359 PolarHBondContact OH-O 3.07Å; Y331-N362 WeakPolarHBondContact CD2-ND2 3.48Å; Y331-N362 WeakPolarHBondContact CE2-ND2 3.36Å
332	A	90.6	Very high	92	Very high	5 Å²	5	4.4 Å²	4.4	4%	0.041	2%	0.024	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	39.6	-173.9	0	0	0	0	0	112.8	F328 F329 L335 M338	F328-A332 PolarHBondContact O-N 2.97Å; F329-A332 PolarHBondContact O-N 3.16Å; A332-L335 HydrophobicContact CB-CD1 4.02Å; A332-M338 HydrophobicContact CB-CE 3.99Å
333	I	93.4	Very high	92.3	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	156.3	-179.7	54.8	173.2	0	0	0	111.6	V123 F124 E127 F328 Y331 L335	V123-I333 HydrophobicContact CB-CD1 3.87Å; V123-I333 HydrophobicContact CG1-CB 4.09Å; V123-I333 HydrophobicContact CG1-CD1 3.83Å; V123-I333 HydrophobicContact CG1-CG1 4.44Å; F124-I333 HydrophobicContact CB-CG2 3.81Å; F124-I333 HydrophobicContact CD2-CG2 4.38Å; E127-I333 WeakPolarHBondContact OE2-CA 3.2Å; F328-I333 HydrophobicContact CB-CD1 4.3Å; F328-I333 HydrophobicContact CB-CG1 4.17Å; F328-I333 HydrophobicContact CD1-CD1 4Å; F328-I333 HydrophobicContact CD2-CD1 4.22Å; F328-I333 HydrophobicContact CE1-CD1 4.41Å; F328-I333 HydrophobicContact CG-CD1 3.9Å; F328-I333 HydrophobicContact CG-CG1 4.25Å; F328-I333 WeakPolarHBondContact O-CG1 3.26Å; F328-I333 PolarHBondContact O-N 3.41Å; Y331-I333 PolarHBondContact O-N 3.43Å; I333-L335 PolarHBondContact O-N 3.42Å
334	C	93.8	Very high	92.3	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	11.3	-177.1	-53.6	0	0	0	0	114.2	E127 S156 L497 V500 A501 E504	E127-C334 VanDerWaalsContact CD-N 3.3Å; E127-C334 WeakPolarHBondContact OE1-CA 3.37Å; E127-C334 PolarHBondContact OE1-N 3.17Å; E127-C334 PolarHBondContact OE2-N 3.3Å; S156-C334 VanDerWaalsContact CB-O 3.29Å; S156-C334 WeakPolarHBondContact CB-O 3.27Å; S156-C334 PolarHBondContact OG-O 2.97Å; C334-L497 HydrophobicContact CB-CD2 4.34Å; C334-V500 HydrophobicContact CB-CB 4Å; C334-V500 HydrophobicContact CB-CG1 3.76Å; C334-A501 VanDerWaalsContact SG-CA 3.56Å; C334-A501 WeakPolarHBondContact SG-CB 3.17Å; C334-E504 PolarHBondContact SG-OE2 3.01Å; C334-E504 VanDerWaalsContact SG-OE2 3.39Å
335	L	93.1	Very high	92.6	Very high	4 Å²	4	4.2 Å²	4.2	2%	0.021	2%	0.022	C	C	.	.	S	Bend	trans	-95.4	-7.4	173.4	-61.2	177.5	0	0	0	112.3	I159 V160 L163 A332 I333 A337 L497	I159-L335 HydrophobicContact CB-CD2 4.13Å; I159-L335 HydrophobicContact CG2-CD2 3.38Å; V160-L335 HydrophobicContact CB-CB 4.29Å; V160-L335 HydrophobicContact CB-CD2 4.42Å; V160-L335 HydrophobicContact CG2-CB 4.33Å; L163-L335 HydrophobicContact CD1-CD1 3.95Å; L163-L335 HydrophobicContact CD1-CD2 4.24Å; A332-L335 HydrophobicContact CB-CD1 4.02Å; I333-L335 PolarHBondContact O-N 3.42Å; L335-A337 PolarHBondContact O-N 3.15Å; L335-A337 VanDerWaalsContact O-N 3.16Å; L335-L497 HydrophobicContact CD2-CD2 3.77Å; L335-L497 HydrophobicContact CG-CD2 4.33Å
336	G	91.6	Very high	92.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.01	5%	0.046	C	C	.	.	S	Bend	trans	73.8	-6.4	-176.6	0	0	0	0	0	114.6	S340	G336-S340 PolarHBondContact O-N 3.08Å; G336-S340 PolarHBondContact O-OG 3.29Å
337	A	93.4	Very high	92.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.2	-44.6	176.9	0	0	0	0	0	111.9	L335 T339 S340 L341 V434	L335-A337 PolarHBondContact O-N 3.15Å; L335-A337 VanDerWaalsContact O-N 3.16Å; A337-T339 PolarHBondContact O-N 3.21Å; A337-S340 CarbonylContact O-C 3.52Å; A337-S340 WeakPolarHBondContact O-CB 3.29Å; A337-S340 PolarHBondContact O-N 2.98Å; A337-S340 VanDerWaalsContact O-N 3.17Å; A337-L341 WeakPolarHBondContact O-CG 3.37Å; A337-L341 PolarHBondContact O-N 2.93Å; A337-V434 HydrophobicContact CB-CG1 4.42Å
338	M	94.9	Very high	92.9	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.9	-42.1	177.4	-62.9	-55.9	137.2	0	0	111.8	V83 F124 E127 I128 A332 S340 L341 G342 V434	V83-M338 HydrophobicContact CG1-SD 4.12Å; F124-M338 HydrophobicContact CD2-CG 4.11Å; F124-M338 HydrophobicContact CD2-SD 4.31Å; F124-M338 HydrophobicContact CE2-CG 4.19Å; F124-M338 HydrophobicContact CE2-SD 3.81Å; E127-M338 HydrophobicContact CB-CB 3.96Å; E127-M338 WeakPolarHBondContact OE2-CB 3.38Å; I128-M338 HydrophobicContact CD1-CB 3.94Å; I128-M338 VanDerWaalsContact CD1-O 3.3Å; I128-M338 WeakPolarHBondContact CD1-O 3.16Å; I128-M338 HydrophobicContact CD1-SD 4.33Å; I128-M338 HydrophobicContact CG1-CB 4.2Å; A332-M338 HydrophobicContact CB-CE 3.99Å; M338-S340 VanDerWaalsContact C-N 3.32Å; M338-S340 PolarHBondContact O-N 3.33Å; M338-L341 PolarHBondContact O-N 2.88Å; M338-L341 HydrophobicContact SD-CD1 4.35Å; M338-G342 PolarHBondContact O-N 3.12Å; M338-V434 HydrophobicContact CE-CG1 4.3Å
339	T	95.9	Very high	93	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-56	-46.7	171.6	-54.5	0	0	0	0	111.5	E127 I130 G131 C141 A337 G342 S343	E127-T339 WeakPolarHBondContact CB-OG1 3.26Å; E127-T339 WeakPolarHBondContact O-CA 3.31Å; E127-T339 PolarHBondContact O-OG1 3.27Å; I130-T339 HydrophobicContact CG2-CG2 4.44Å; G131-T339 VanDerWaalsContact CA-O 3.3Å; G131-T339 WeakPolarHBondContact CA-O 3.39Å; C141-T339 HydrophobicContact CB-CG2 4.23Å; A337-T339 PolarHBondContact O-N 3.21Å; T339-G342 PolarHBondContact O-N 2.91Å; T339-S343 PolarHBondContact O-N 3.15Å
340	S	94.4	Very high	93.5	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-62.9	-43.7	175.5	-72.4	0	0	0	0	112.7	G336 A337 M338 G342 S343 Y344 G438 S442	G336-S340 PolarHBondContact O-N 3.08Å; G336-S340 PolarHBondContact O-OG 3.29Å; A337-S340 CarbonylContact O-C 3.52Å; A337-S340 WeakPolarHBondContact O-CB 3.29Å; A337-S340 PolarHBondContact O-N 2.98Å; A337-S340 VanDerWaalsContact O-N 3.17Å; M338-S340 VanDerWaalsContact C-N 3.32Å; M338-S340 PolarHBondContact O-N 3.33Å; S340-G342 PolarHBondContact O-N 3.37Å; S340-S343 WeakPolarHBondContact O-CB 3.48Å; S340-S343 PolarHBondContact O-N 3.44Å; S340-S343 PolarHBondContact O-OG 3.47Å; S340-Y344 WeakPolarHBondContact O-CD2 3.32Å; S340-Y344 WeakPolarHBondContact O-CE2 3.38Å; S340-G438 PolarHBondContact OG-O 3.41Å; S340-G438 VanDerWaalsContact OG-O 3.07Å; S340-S442 PolarHBondContact OG-OG 2.78Å
341	L	94.5	Very high	93.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-64.6	-39.9	176.3	-64.8	-175.6	0	0	0	112.2	W73 F79 V83 A337 M338 S343 Y344 V434	W73-L341 HydrophobicContact CH2-CD2 4.04Å; W73-L341 HydrophobicContact CZ2-CB 4.37Å; W73-L341 HydrophobicContact CZ2-CD2 3.7Å; W73-L341 PolarHBondContact NE1-O 3.35Å; F79-L341 HydrophobicContact CE2-CB 4.43Å; V83-L341 HydrophobicContact CG2-CD1 3.81Å; A337-L341 WeakPolarHBondContact O-CG 3.37Å; A337-L341 PolarHBondContact O-N 2.93Å; M338-L341 PolarHBondContact O-N 2.88Å; M338-L341 HydrophobicContact SD-CD1 4.35Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.15Å; L341-Y344 PolarHBondContact O-N 3.11Å; L341-V434 HydrophobicContact CD1-CG1 3.68Å; L341-V434 HydrophobicContact CG-CG1 4.31Å
342	G	95.4	Very high	93.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63	-35.4	176.2	0	0	0	0	0	112.9	Q132 M338 T339 S340 Y344 N345	Q132-G342 VanDerWaalsContact CA-O 3.26Å; Q132-G342 WeakPolarHBondContact CA-O 3.22Å; Q132-G342 PolarHBondContact N-O 3Å; M338-G342 PolarHBondContact O-N 3.12Å; T339-G342 PolarHBondContact O-N 2.91Å; S340-G342 PolarHBondContact O-N 3.37Å; G342-Y344 PolarHBondContact O-N 3.23Å; G342-Y344 VanDerWaalsContact O-N 3.17Å; G342-N345 WeakPolarHBondContact O-CB 3.45Å; G342-N345 PolarHBondContact O-N 2.86Å
343	S	95.3	Very high	94	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-24.5	178.9	77.6	0	0	0	0	115	R70 K72 G131 E136 T339 S340 L341 N345	R70-S343 VanDerWaalsContact CZ-CB 3.5Å; R70-S343 PolarHBondContact NE-OG 3.46Å; R70-S343 PolarHBondContact NH2-OG 3.26Å; K72-S343 PolarHBondContact NZ-O 3.45Å; G131-S343 VanDerWaalsContact C-CA 3.49Å; G131-S343 WeakPolarHBondContact O-CA 3.27Å; E136-S343 WeakPolarHBondContact O-CB 3.2Å; T339-S343 PolarHBondContact O-N 3.15Å; S340-S343 WeakPolarHBondContact O-CB 3.48Å; S340-S343 PolarHBondContact O-N 3.44Å; S340-S343 PolarHBondContact O-OG 3.47Å; L341-S343 VanDerWaalsContact C-N 3.32Å; L341-S343 PolarHBondContact O-N 3.15Å; S343-N345 VanDerWaalsContact C-N 3.31Å
344	Y	93.9	Very high	94.1	Very high	13 Å²	13	31.8 Å²	31.8	5%	0.051	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-5.7	176	-60.4	-60.2	0	0	0	112.6	R70 E71 K72 W73 V268 S340 L341 G342 E437 T441	R70-Y344 HydrophobicContact CG-CD1 4.02Å; R70-Y344 HydrophobicContact CG-CE1 3.98Å; E71-Y344 WeakPolarHBondContact O-CD1 3.3Å; K72-Y344 VanDerWaalsContact CA-O 3.3Å; K72-Y344 WeakPolarHBondContact CA-O 2.96Å; K72-Y344 WeakPolarHBondContact CD-O 3.36Å; W73-Y344 VanDerWaalsContact CD1-C 3.42Å; W73-Y344 HydrophobicContact CZ2-CD2 4.33Å; W73-Y344 PolarHBondContact N-O 3.29Å; W73-Y344 VanDerWaalsContact N-O 3.1Å; V268-Y344 HydrophobicContact CG1-CD1 4.28Å; V268-Y344 HydrophobicContact CG1-CD2 3.35Å; V268-Y344 HydrophobicContact CG1-CE1 4.29Å; V268-Y344 HydrophobicContact CG1-CE2 3.34Å; V268-Y344 HydrophobicContact CG1-CG 3.8Å; V268-Y344 HydrophobicContact CG2-CD1 4.48Å; S340-Y344 WeakPolarHBondContact O-CD2 3.32Å; S340-Y344 WeakPolarHBondContact O-CE2 3.38Å; L341-Y344 PolarHBondContact O-N 3.11Å; G342-Y344 PolarHBondContact O-N 3.23Å; G342-Y344 VanDerWaalsContact O-N 3.17Å; Y344-E437 PolarHBondContact OH-OE1 3.46Å; Y344-T441 HydrophobicContact CE2-CG2 4.19Å; Y344-T441 PolarHBondContact OH-OG1 3.26Å
345	N	94.8	Very high	94.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	14%	0.135	C	C	.	.	S	Bend	trans	-70.2	153.7	172.8	-73.4	-22.9	0	0	0	111.7	K72 F79 Q132 G342 S343 Y349 S351	K72-N345 WeakPolarHBondContact CD-O 3.44Å; K72-N345 PolarHBondContact NZ-O 3.25Å; F79-N345 WeakPolarHBondContact CD2-OD1 3.49Å; F79-N345 VanDerWaalsContact CE2-ND2 3.35Å; F79-N345 WeakPolarHBondContact CE2-ND2 3.46Å; F79-N345 WeakPolarHBondContact CG-OD1 3.32Å; F79-N345 VanDerWaalsContact CZ-ND2 3.27Å; F79-N345 WeakPolarHBondContact CZ-ND2 3.02Å; Q132-N345 HydrophobicContact CB-CB 4.4Å; Q132-N345 HydrophobicContact CG-CB 4.02Å; G342-N345 WeakPolarHBondContact O-CB 3.45Å; G342-N345 PolarHBondContact O-N 2.86Å; S343-N345 VanDerWaalsContact C-N 3.31Å; N345-Y349 HydrophobicContact CB-CG 4.4Å; N345-S351 PolarHBondContact ND2-OG 3.47Å
346	K	92.6	Very high	94.3	Very high	138 Å²	138	33.3 Å²	33.3	60%	0.6	14%	0.143	S	C	*	.			trans	-69.5	145	168.6	-64.1	178.4	-178.1	177.6	0	108.6	Q132 K348 Y349	Q132-K346 PolarHBondContact NE2-O 3.27Å; K346-K348 VanDerWaalsContact C-N 3.25Å; K346-K348 PolarHBondContact O-N 2.89Å; K346-K348 VanDerWaalsContact O-N 3.16Å; K346-Y349 WeakPolarHBondContact O-CB 3.49Å; K346-Y349 PolarHBondContact O-N 2.98Å
347	Y	90.6	Very high	94.5	Very high	78 Å²	78	38 Å²	38	31%	0.306	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.5	-176.1	-172.5	-96.6	0	0	0	113.5	Q132 Y133 Y349 D523 M524	Q132-Y347 PolarHBondContact NE2-O 2.99Å; Y133-Y347 HydrophobicContact CD2-CE2 4.08Å; Y133-Y347 HydrophobicContact CE2-CE2 4.49Å; Y347-Y349 VanDerWaalsContact C-N 3.31Å; Y347-Y349 PolarHBondContact O-N 3.43Å; Y347-D523 WeakPolarHBondContact CE1-OD2 3.2Å; Y347-D523 VanDerWaalsContact CZ-OD2 3.3Å; Y347-D523 PolarHBondContact OH-OD2 2.85Å; Y347-M524 HydrophobicContact CD1-CG 4.13Å; Y347-M524 HydrophobicContact CD2-CG 4.09Å; Y347-M524 HydrophobicContact CD2-SD 4.47Å; Y347-M524 HydrophobicContact CE1-CG 3.74Å; Y347-M524 HydrophobicContact CE2-CG 3.69Å; Y347-M524 HydrophobicContact CE2-SD 4.21Å; Y347-M524 HydrophobicContact CG-CG 4.3Å; Y347-M524 WeakPolarHBondContact O-CB 3.46Å; Y347-M524 WeakPolarHBondContact O-CG 3.24Å
348	K	92.3	Very high	94.6	Very high	132 Å²	132	38.1 Å²	38.1	57%	0.574	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	17.4	178.9	-59.1	-69.2	-174.1	178.5	0	114.8	K346 D523 M524	K346-K348 VanDerWaalsContact C-N 3.25Å; K346-K348 PolarHBondContact O-N 2.89Å; K346-K348 VanDerWaalsContact O-N 3.16Å; K348-D523 WeakPolarHBondContact CD-O 3.36Å; K348-D523 PolarHBondContact NZ-O 3.34Å; K348-D523 IonicContact NZ-OD1 3.17Å; K348-D523 PolarHBondContact NZ-OD1 2.72Å; K348-M524 WeakPolarHBondContact CA-O 3.44Å; K348-M524 VanDerWaalsContact CD-O 3.22Å; K348-M524 WeakPolarHBondContact CD-O 3.48Å
349	Y	93.9	Very high	94.6	Very high	16 Å²	16	38.1 Å²	38.1	6%	0.063	17%	0.168	C	C	.	.			trans	-74.7	133.5	179.3	-172.9	-91.4	0	0	0	110.8	K76 F79 Q132 N345 K346 Y347 S351 D354 I525	K76-Y349 HydrophobicContact CB-CE2 3.91Å; K76-Y349 HydrophobicContact CD-CD2 4.47Å; K76-Y349 HydrophobicContact CD-CE2 3.74Å; K76-Y349 HydrophobicContact CG-CD2 4.48Å; K76-Y349 HydrophobicContact CG-CE2 3.67Å; F79-Y349 AromaticContact CD1-CE1 3.82Å; F79-Y349 HydrophobicContact CD1-CE1 3.82Å; F79-Y349 AromaticContact CD1-CZ 3.81Å; F79-Y349 AromaticContact CE1-CE1 3.77Å; F79-Y349 HydrophobicContact CE1-CE1 3.77Å; Q132-Y349 PolarHBondContact NE2-O 2.98Å; N345-Y349 HydrophobicContact CB-CG 4.4Å; K346-Y349 WeakPolarHBondContact O-CB 3.49Å; K346-Y349 PolarHBondContact O-N 2.98Å; Y347-Y349 VanDerWaalsContact C-N 3.31Å; Y347-Y349 PolarHBondContact O-N 3.43Å; Y349-S351 VanDerWaalsContact C-N 3.28Å; Y349-S351 WeakPolarHBondContact CD1-OG 3.46Å; Y349-S351 PolarHBondContact O-N 3.06Å; Y349-D354 VanDerWaalsContact CE1-OD2 3.31Å; Y349-D354 WeakPolarHBondContact CE1-OD2 3.41Å; Y349-D354 PolarHBondContact OH-OD2 2.97Å; Y349-I525 WeakPolarHBondContact O-CG2 3.45Å
350	N	95.6	Very high	94.5	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.283	20%	0.196	S	C	.	.			trans	-80.1	75.3	-179.8	-172.2	-8.6	0	0	0	111.3	Y352 R353 Y527	N350-Y352 VanDerWaalsContact C-N 3.3Å; N350-Y352 PolarHBondContact O-N 3.04Å; N350-R353 PolarHBondContact OD1-N 2.84Å; N350-Y527 PolarHBondContact ND2-OH 3.2Å; N350-Y527 PolarHBondContact OD1-OH 3.06Å
351	S	95	Very high	94.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-29.6	179.7	-78.3	0	0	0	0	113.4	Q132 N345 Y349 D354 C355	Q132-S351 PolarHBondContact OE1-OG 3.01Å; N345-S351 PolarHBondContact ND2-OG 3.47Å; Y349-S351 VanDerWaalsContact C-N 3.28Å; Y349-S351 WeakPolarHBondContact CD1-OG 3.46Å; Y349-S351 PolarHBondContact O-N 3.06Å; S351-D354 PolarHBondContact O-N 2.98Å; S351-C355 VanDerWaalsContact O-CB 3.29Å; S351-C355 WeakPolarHBondContact O-CB 3.26Å; S351-C355 PolarHBondContact O-N 3.31Å; S351-C355 PolarHBondContact O-SG 3.36Å
352	Y	95.9	Very high	94.5	Very high	40 Å²	40	45.3 Å²	45.3	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-51.1	-179.3	177.3	-101.6	0	0	0	112.1	F125 N350 D354 C355 M356 Y527 P529 M533	F125-Y352 HydrophobicContact CD1-CD2 4.1Å; F125-Y352 HydrophobicContact CD2-CD2 4.38Å; F125-Y352 AromaticContact CE1-CD2 3.82Å; F125-Y352 HydrophobicContact CE1-CD2 3.82Å; F125-Y352 VanDerWaalsContact CE2-CA 3.49Å; F125-Y352 HydrophobicContact CE2-CD2 4.12Å; F125-Y352 HydrophobicContact CE2-CG 4.45Å; F125-Y352 HydrophobicContact CG-CD2 4.39Å; F125-Y352 AromaticContact CZ-CD2 3.83Å; F125-Y352 HydrophobicContact CZ-CD2 3.83Å; F125-Y352 HydrophobicContact CZ-CG 4.34Å; N350-Y352 VanDerWaalsContact C-N 3.3Å; N350-Y352 PolarHBondContact O-N 3.04Å; Y352-D354 VanDerWaalsContact C-N 3.32Å; Y352-D354 PolarHBondContact O-N 3.09Å; Y352-C355 PolarHBondContact O-N 2.93Å; Y352-M356 HydrophobicContact CE1-CG 4.33Å; Y352-M356 HydrophobicContact CE2-CE 4.48Å; Y352-M356 HydrophobicContact CE2-CG 4.33Å; Y352-M356 HydrophobicContact CE2-SD 4.45Å; Y352-M356 WeakPolarHBondContact O-CG 3.48Å; Y352-M356 PolarHBondContact O-N 2.84Å; Y352-M356 VanDerWaalsContact O-N 3.12Å; Y352-Y527 AromaticContact CD1-CE2 3.98Å; Y352-Y527 HydrophobicContact CD1-CE2 3.98Å; Y352-Y527 WeakPolarHBondContact CD1-OH 3.17Å; Y352-Y527 HydrophobicContact CE1-CE2 4.48Å; Y352-P529 HydrophobicContact CD2-CB 3.97Å; Y352-P529 HydrophobicContact CD2-CG 3.97Å; Y352-P529 HydrophobicContact CE2-CB 3.71Å; Y352-P529 HydrophobicContact CE2-CG 4.24Å; Y352-P529 HydrophobicContact CG-CG 4.41Å; Y352-M533 HydrophobicContact CD2-CE 4.24Å; Y352-M533 HydrophobicContact CE2-CE 3.57Å
353	R	94.7	Very high	94.5	Very high	159 Å²	159	45.9 Å²	45.9	60%	0.6	22%	0.216	S	C	*	.	H	α-helix	trans	-56.4	-48.5	178.8	178.2	-173.4	174.1	-173.4	-2.2	111.2	N350 M356 L357	N350-R353 PolarHBondContact OD1-N 2.84Å; R353-M356 PolarHBondContact O-N 3.43Å; R353-L357 HydrophobicContact CG-CD1 4.17Å; R353-L357 WeakPolarHBondContact O-CG 3.49Å; R353-L357 PolarHBondContact O-N 3.49Å; R353-L357 VanDerWaalsContact O-N 3.12Å
354	D	95.2	Very high	94.4	Very high	26 Å²	26	47.4 Å²	47.4	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-73	-35.6	-173.9	-67	-11.9	0	0	0	111.4	V80 Y349 S351 Y352 M356 L357 L358	V80-D354 HydrophobicContact CG2-CB 4.49Å; Y349-D354 VanDerWaalsContact CE1-OD2 3.31Å; Y349-D354 WeakPolarHBondContact CE1-OD2 3.41Å; Y349-D354 PolarHBondContact OH-OD2 2.97Å; S351-D354 PolarHBondContact O-N 2.98Å; Y352-D354 VanDerWaalsContact C-N 3.32Å; Y352-D354 PolarHBondContact O-N 3.09Å; D354-M356 VanDerWaalsContact C-N 3.3Å; D354-M356 PolarHBondContact O-N 3.42Å; D354-L357 PolarHBondContact O-N 3.36Å; D354-L358 WeakPolarHBondContact O-CB 3.24Å; D354-L358 WeakPolarHBondContact O-CD1 3.2Å; D354-L358 WeakPolarHBondContact O-CG 3.13Å; D354-L358 PolarHBondContact O-N 3.04Å
355	C	95.6	Very high	94.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-39.5	173	-69.2	0	0	0	0	111.9	F124 F125 S351 Y352 G359	F124-C355 HydrophobicContact CD1-CB 4.04Å; F124-C355 HydrophobicContact CE1-CB 3.7Å; F124-C355 WeakPolarHBondContact CE1-O 3.37Å; F124-C355 HydrophobicContact CZ-CB 4.44Å; F125-C355 HydrophobicContact CB-CB 4.27Å; F125-C355 HydrophobicContact CD2-CB 4.17Å; S351-C355 VanDerWaalsContact O-CB 3.29Å; S351-C355 WeakPolarHBondContact O-CB 3.26Å; S351-C355 PolarHBondContact O-N 3.31Å; S351-C355 PolarHBondContact O-SG 3.36Å; Y352-C355 PolarHBondContact O-N 2.93Å; C355-G359 PolarHBondContact O-N 3.4Å
356	M	95.2	Very high	94.5	Very high	36 Å²	36	47.2 Å²	47.2	18%	0.177	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-44.5	175.9	-65.1	-58.5	99.1	0	0	111.8	L121 Y352 R353 D354 G359 C360 W532 M533	L121-M356 HydrophobicContact CB-CE 4.31Å; L121-M356 HydrophobicContact CD2-CE 3.92Å; L121-M356 HydrophobicContact CD2-SD 4.48Å; Y352-M356 HydrophobicContact CE1-CG 4.33Å; Y352-M356 HydrophobicContact CE2-CE 4.48Å; Y352-M356 HydrophobicContact CE2-CG 4.33Å; Y352-M356 HydrophobicContact CE2-SD 4.45Å; Y352-M356 WeakPolarHBondContact O-CG 3.48Å; Y352-M356 PolarHBondContact O-N 2.84Å; Y352-M356 VanDerWaalsContact O-N 3.12Å; R353-M356 PolarHBondContact O-N 3.43Å; D354-M356 VanDerWaalsContact C-N 3.3Å; D354-M356 PolarHBondContact O-N 3.42Å; M356-G359 PolarHBondContact O-N 3.42Å; M356-C360 PolarHBondContact O-N 2.92Å; M356-C360 PolarHBondContact O-SG 3.39Å; M356-W532 HydrophobicContact SD-CH2 4.22Å; M356-W532 HydrophobicContact SD-CZ2 4.07Å; M356-M533 HydrophobicContact CE-CE 3.76Å; M356-M533 HydrophobicContact SD-CE 4.4Å
357	L	95.3	Very high	94.6	Very high	99 Å²	99	44.2 Å²	44.2	52%	0.518	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-44.3	177.2	-70.1	172.7	0	0	0	112	R353 D354 G359 C360 L361	R353-L357 HydrophobicContact CG-CD1 4.17Å; R353-L357 WeakPolarHBondContact O-CG 3.49Å; R353-L357 PolarHBondContact O-N 3.49Å; R353-L357 VanDerWaalsContact O-N 3.12Å; D354-L357 PolarHBondContact O-N 3.36Å; L357-G359 VanDerWaalsContact C-N 3.34Å; L357-C360 PolarHBondContact O-N 2.92Å; L357-L361 PolarHBondContact O-N 3.18Å
358	L	95.6	Very high	94.8	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-40.5	177.4	-77.8	170.3	0	0	0	111.4	V80 V83 A84 F87 F124 D354 L361 N362	V80-L358 HydrophobicContact CG1-CD2 4.02Å; V83-L358 HydrophobicContact CB-CD1 3.93Å; V83-L358 HydrophobicContact CG1-CD1 3.75Å; A84-L358 HydrophobicContact CB-CD2 4.02Å; F87-L358 HydrophobicContact CE1-CB 4.35Å; F87-L358 HydrophobicContact CE1-CD2 4.05Å; F87-L358 HydrophobicContact CE2-CB 4.45Å; F87-L358 VanDerWaalsContact CE2-O 3.29Å; F87-L358 WeakPolarHBondContact CE2-O 3.41Å; F87-L358 HydrophobicContact CZ-CB 3.67Å; F87-L358 HydrophobicContact CZ-CD2 3.95Å; F87-L358 HydrophobicContact CZ-CG 4.37Å; F87-L358 VanDerWaalsContact CZ-O 3.25Å; F87-L358 WeakPolarHBondContact CZ-O 3.45Å; F124-L358 HydrophobicContact CE1-CB 4.13Å; F124-L358 HydrophobicContact CZ-CB 4.3Å; F124-L358 HydrophobicContact CZ-CD1 4.31Å; D354-L358 WeakPolarHBondContact O-CB 3.24Å; D354-L358 WeakPolarHBondContact O-CD1 3.2Å; D354-L358 WeakPolarHBondContact O-CG 3.13Å; D354-L358 PolarHBondContact O-N 3.04Å; L358-L361 HydrophobicContact CD2-CD2 4.4Å; L358-L361 WeakPolarHBondContact O-CB 3.36Å; L358-L361 PolarHBondContact O-N 3.02Å; L358-N362 PolarHBondContact O-N 3.14Å
359	G	94.4	Very high	94.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.6	-42.3	174.9	0	0	0	0	0	113.2	Y331 C355 M356 L357 L361 N362 S363	Y331-G359 VanDerWaalsContact OH-C 3.3Å; Y331-G359 WeakPolarHBondContact OH-CA 3.31Å; Y331-G359 PolarHBondContact OH-O 3.07Å; C355-G359 PolarHBondContact O-N 3.4Å; M356-G359 PolarHBondContact O-N 3.42Å; L357-G359 VanDerWaalsContact C-N 3.34Å; G359-L361 VanDerWaalsContact C-N 3.3Å; G359-L361 PolarHBondContact O-N 2.99Å; G359-N362 PolarHBondContact O-N 3.26Å; G359-S363 PolarHBondContact O-N 2.89Å
360	C	93.7	Very high	94.8	Very high	88 Å²	88	36.5 Å²	36.5	60%	0.595	19%	0.193	S	C	*	.	H	α-helix	trans	-60.3	-40.9	172	-69.1	0	0	0	0	111.9	M356 L357 N362 G364	M356-C360 PolarHBondContact O-N 2.92Å; M356-C360 PolarHBondContact O-SG 3.39Å; L357-C360 PolarHBondContact O-N 2.92Å; C360-N362 PolarHBondContact O-N 2.95Å; C360-G364 WeakPolarHBondContact O-CA 3.35Å; C360-G364 PolarHBondContact O-N 2.88Å
361	L	94.9	Very high	94.7	Very high	67 Å²	67	36.2 Å²	36.2	35%	0.351	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-46.1	177.2	-178.5	67.7	0	0	0	111.3	A84 F283 L357 L358 G359 T365	A84-L361 HydrophobicContact CB-CD2 3.98Å; F283-L361 HydrophobicContact CE1-CD1 3.93Å; F283-L361 HydrophobicContact CE1-CG 4.4Å; F283-L361 HydrophobicContact CZ-CD1 4.14Å; F283-L361 HydrophobicContact CZ-CD2 4.16Å; F283-L361 HydrophobicContact CZ-CG 4.21Å; L357-L361 PolarHBondContact O-N 3.18Å; L358-L361 HydrophobicContact CD2-CD2 4.4Å; L358-L361 WeakPolarHBondContact O-CB 3.36Å; L358-L361 PolarHBondContact O-N 3.02Å; G359-L361 VanDerWaalsContact C-N 3.3Å; G359-L361 PolarHBondContact O-N 2.99Å; L361-T365 WeakPolarHBondContact O-CB 3.46Å; L361-T365 PolarHBondContact O-N 2.88Å; L361-T365 PolarHBondContact O-OG1 3.32Å
362	N	94.8	Very high	94.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-66.9	-53.1	-177.3	179.2	49.7	0	0	0	114	F87 V88 N92 S330 Y331 L358 G359 C360 G364 T365 S366	F87-N362 HydrophobicContact CD2-CB 3.42Å; F87-N362 VanDerWaalsContact CD2-CB 3.42Å; F87-N362 HydrophobicContact CE2-CB 3.1Å; F87-N362 HydrophobicContact CZ-CB 3.99Å; F87-N362 PolarHBondContact O-OD1 3.04Å; V88-N362 HydrophobicContact CG2-CB 4.41Å; N92-N362 PolarHBondContact ND2-O 2.69Å; N92-N362 PolarHBondContact ND2-OD1 3.33Å; S330-N362 PolarHBondContact O-ND2 2.84Å; S330-N362 PolarHBondContact O-OD1 3.46Å; S330-N362 PolarHBondContact OG-ND2 3.46Å; S330-N362 VanDerWaalsContact OG-ND2 3.12Å; S330-N362 PolarHBondContact OG-OD1 3.06Å; Y331-N362 WeakPolarHBondContact CD2-ND2 3.48Å; Y331-N362 WeakPolarHBondContact CE2-ND2 3.36Å; L358-N362 PolarHBondContact O-N 3.14Å; G359-N362 PolarHBondContact O-N 3.26Å; C360-N362 PolarHBondContact O-N 2.95Å; N362-G364 VanDerWaalsContact C-N 3.29Å; N362-G364 PolarHBondContact O-N 2.88Å; N362-T365 PolarHBondContact O-N 3.41Å; N362-S366 PolarHBondContact O-N 3.42Å; N362-S366 PolarHBondContact O-OG 3.2Å
363	S	94.4	Very high	94.4	Very high	11 Å²	11	35 Å²	35	8%	0.077	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-37.4	175.6	-67.4	0	0	0	0	111.9	Y112 G359 T365 S366 F367	Y112-S363 WeakPolarHBondContact OH-CB 3.44Å; Y112-S363 PolarHBondContact OH-OG 3.3Å; G359-S363 PolarHBondContact O-N 2.89Å; S363-T365 VanDerWaalsContact C-N 3.35Å; S363-T365 PolarHBondContact O-N 3.33Å; S363-S366 PolarHBondContact O-N 3.09Å; S363-F367 WeakPolarHBondContact O-CB 3.43Å; S363-F367 PolarHBondContact O-N 3.46Å
364	G	94.9	Very high	94.3	Very high	33 Å²	33	27.5 Å²	27.5	34%	0.34	16%	0.157	S	C	.	.	H	α-helix	trans	-61.7	-42.1	174.1	0	0	0	0	0	112.3	C360 N362 F367 V368	C360-G364 WeakPolarHBondContact O-CA 3.35Å; C360-G364 PolarHBondContact O-N 2.88Å; N362-G364 VanDerWaalsContact C-N 3.29Å; N362-G364 PolarHBondContact O-N 2.88Å; G364-F367 PolarHBondContact O-N 2.62Å; G364-V368 WeakPolarHBondContact O-CB 3.37Å; G364-V368 VanDerWaalsContact O-CG2 3.29Å; G364-V368 WeakPolarHBondContact O-CG2 3.45Å; G364-V368 PolarHBondContact O-N 3.48Å
365	T	94.3	Very high	94.2	Very high	11 Å²	11	26.3 Å²	26.3	7%	0.067	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-44.5	177.9	-54.3	0	0	0	0	111.6	V88 F283 L286 L361 N362 S363 F367 V368 S369	V88-T365 HydrophobicContact CG1-CG2 3.7Å; F283-T365 HydrophobicContact CE1-CG2 3.96Å; F283-T365 VanDerWaalsContact CE1-OG1 3.29Å; F283-T365 WeakPolarHBondContact CE1-OG1 3.46Å; L286-T365 HydrophobicContact CD1-CG2 3.88Å; L361-T365 WeakPolarHBondContact O-CB 3.46Å; L361-T365 PolarHBondContact O-N 2.88Å; L361-T365 PolarHBondContact O-OG1 3.32Å; N362-T365 PolarHBondContact O-N 3.41Å; S363-T365 VanDerWaalsContact C-N 3.35Å; S363-T365 PolarHBondContact O-N 3.33Å; T365-F367 VanDerWaalsContact C-N 3.3Å; T365-F367 PolarHBondContact O-N 3Å; T365-V368 PolarHBondContact O-N 3.45Å; T365-S369 WeakPolarHBondContact O-CB 3.31Å; T365-S369 PolarHBondContact O-N 3.18Å; T365-S369 PolarHBondContact O-OG 3.49Å
366	S	94.8	Very high	94	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-42	173.6	-66	0	0	0	0	112.3	N92 F96 N362 S363 S369 G370	N92-S366 PolarHBondContact ND2-OG 2.83Å; F96-S366 VanDerWaalsContact CD1-C 3.49Å; F96-S366 WeakPolarHBondContact CD1-O 3.42Å; F96-S366 WeakPolarHBondContact CE1-O 3.38Å; N362-S366 PolarHBondContact O-N 3.42Å; N362-S366 PolarHBondContact O-OG 3.2Å; S363-S366 PolarHBondContact O-N 3.09Å; S366-S369 WeakPolarHBondContact CA-OG 3.45Å; S366-S369 PolarHBondContact O-OG 3.32Å; S366-G370 PolarHBondContact O-N 2.88Å
367	F	95	Very high	93.7	Very high	75 Å²	75	24.9 Å²	24.9	33%	0.329	14%	0.144	S	C	.	.	H	α-helix	trans	-65.8	-45.5	178.8	-174.5	-113.9	0	0	0	111.8	L109 Y306 L307 S363 G364 T365 G370 F371	L109-F367 HydrophobicContact CD1-CE2 4.05Å; Y306-F367 PolarHBondContact OH-O 3.49Å; Y306-F367 VanDerWaalsContact OH-O 3.05Å; L307-F367 HydrophobicContact CD1-CZ 4.4Å; L307-F367 HydrophobicContact CD2-CE2 3.91Å; S363-F367 WeakPolarHBondContact O-CB 3.43Å; S363-F367 PolarHBondContact O-N 3.46Å; G364-F367 PolarHBondContact O-N 2.62Å; T365-F367 VanDerWaalsContact C-N 3.3Å; T365-F367 PolarHBondContact O-N 3Å; F367-G370 PolarHBondContact O-N 3.43Å; F367-F371 AromaticContact CD1-CE2 3.91Å; F367-F371 HydrophobicContact CD1-CE2 3.91Å; F367-F371 AromaticContact CE1-CE2 3.48Å; F367-F371 HydrophobicContact CE1-CE2 3.48Å; F367-F371 VanDerWaalsContact CE1-CE2 3.48Å; F367-F371 HydrophobicContact CE1-CZ 4.05Å; F367-F371 HydrophobicContact CE2-CE2 4.13Å; F367-F371 HydrophobicContact CG-CE2 4.42Å; F367-F371 AromaticContact CZ-CE2 3.6Å; F367-F371 HydrophobicContact CZ-CE2 3.6Å; F367-F371 AromaticContact CZ-CZ 3.9Å; F367-F371 HydrophobicContact CZ-CZ 3.9Å; F367-F371 VanDerWaalsContact O-CD2 3.27Å; F367-F371 WeakPolarHBondContact O-CD2 3.36Å
368	V	94.6	Very high	93.5	Very high	63 Å²	63	20.2 Å²	20.2	38%	0.382	12%	0.12	S	C	.	.	H	α-helix	trans	-68.8	-41.1	179.8	172.4	0	0	0	0	112.3	L290 G364 T365 G370 F371 A372	L290-V368 HydrophobicContact CD2-CG1 3.88Å; G364-V368 WeakPolarHBondContact O-CB 3.37Å; G364-V368 VanDerWaalsContact O-CG2 3.29Å; G364-V368 WeakPolarHBondContact O-CG2 3.45Å; G364-V368 PolarHBondContact O-N 3.48Å; T365-V368 PolarHBondContact O-N 3.45Å; V368-G370 PolarHBondContact O-N 3.39Å; V368-F371 WeakPolarHBondContact O-CB 3.43Å; V368-F371 PolarHBondContact O-N 3.4Å; V368-F371 VanDerWaalsContact O-N 3.08Å; V368-A372 PolarHBondContact O-N 3.36Å
369	S	93.1	Very high	93.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-34	175.6	65.5	0	0	0	0	111.2	N92 T365 S366 F371 A372 I373	N92-S369 PolarHBondContact O-OG 2.86Å; T365-S369 WeakPolarHBondContact O-CB 3.31Å; T365-S369 PolarHBondContact O-N 3.18Å; T365-S369 PolarHBondContact O-OG 3.49Å; S366-S369 WeakPolarHBondContact CA-OG 3.45Å; S366-S369 PolarHBondContact O-OG 3.32Å; S369-F371 VanDerWaalsContact C-N 3.33Å; S369-F371 PolarHBondContact O-N 2.89Å; S369-A372 WeakPolarHBondContact O-CB 3.16Å; S369-A372 PolarHBondContact O-N 3.36Å; S369-A372 VanDerWaalsContact O-N 3.09Å; S369-I373 WeakPolarHBondContact O-CG1 3.47Å; S369-I373 PolarHBondContact O-N 3.03Å
370	G	93.6	Very high	92.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-40.9	173.9	0	0	0	0	0	113.3	P97 S366 F367 V368 I373 F374	P97-G370 VanDerWaalsContact CG-CA 3.46Å; S366-G370 PolarHBondContact O-N 2.88Å; F367-G370 PolarHBondContact O-N 3.43Å; V368-G370 PolarHBondContact O-N 3.39Å; G370-I373 PolarHBondContact O-N 2.88Å; G370-F374 WeakPolarHBondContact O-CB 3.3Å; G370-F374 WeakPolarHBondContact O-CD2 3.48Å; G370-F374 PolarHBondContact O-N 2.97Å
371	F	94.9	Very high	92.6	Very high	47 Å²	47	16.7 Å²	16.7	21%	0.206	10%	0.095	C	C	.	.	H	α-helix	trans	-64.3	-42.2	172.6	-70.6	-91.6	0	0	0	112.1	L290 I303 Y306 L307 F367 V368 S369 S375	L290-F371 HydrophobicContact CD1-CB 3.48Å; L290-F371 VanDerWaalsContact CD1-CB 3.48Å; I303-F371 HydrophobicContact CD1-CD1 4.33Å; I303-F371 HydrophobicContact CG1-CD1 4.19Å; I303-F371 HydrophobicContact CG2-CD1 4.05Å; I303-F371 HydrophobicContact CG2-CE1 3.83Å; Y306-F371 HydrophobicContact CE1-CD2 4.02Å; Y306-F371 HydrophobicContact CE1-CE2 4.07Å; Y306-F371 HydrophobicContact CE1-CG 4.41Å; L307-F371 HydrophobicContact CD1-CE1 3.89Å; L307-F371 HydrophobicContact CD1-CE2 4.33Å; L307-F371 HydrophobicContact CD1-CZ 3.52Å; F367-F371 AromaticContact CD1-CE2 3.91Å; F367-F371 HydrophobicContact CD1-CE2 3.91Å; F367-F371 AromaticContact CE1-CE2 3.48Å; F367-F371 HydrophobicContact CE1-CE2 3.48Å; F367-F371 VanDerWaalsContact CE1-CE2 3.48Å; F367-F371 HydrophobicContact CE1-CZ 4.05Å; F367-F371 HydrophobicContact CE2-CE2 4.13Å; F367-F371 HydrophobicContact CG-CE2 4.42Å; F367-F371 AromaticContact CZ-CE2 3.6Å; F367-F371 HydrophobicContact CZ-CE2 3.6Å; F367-F371 AromaticContact CZ-CZ 3.9Å; F367-F371 HydrophobicContact CZ-CZ 3.9Å; F367-F371 VanDerWaalsContact O-CD2 3.27Å; F367-F371 WeakPolarHBondContact O-CD2 3.36Å; V368-F371 WeakPolarHBondContact O-CB 3.43Å; V368-F371 PolarHBondContact O-N 3.4Å; V368-F371 VanDerWaalsContact O-N 3.08Å; S369-F371 VanDerWaalsContact C-N 3.33Å; S369-F371 PolarHBondContact O-N 2.89Å; F371-S375 WeakPolarHBondContact O-CB 3.37Å; F371-S375 PolarHBondContact O-N 3.32Å; F371-S375 PolarHBondContact O-OG 3.36Å
372	A	92.7	Very high	92.3	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.017	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-45.1	178.8	0	0	0	0	0	111.6	L290 V368 S369 S375 I376	L290-A372 HydrophobicContact CB-CB 4.19Å; L290-A372 HydrophobicContact CD1-CB 4.34Å; V368-A372 PolarHBondContact O-N 3.36Å; S369-A372 WeakPolarHBondContact O-CB 3.16Å; S369-A372 PolarHBondContact O-N 3.36Å; S369-A372 VanDerWaalsContact O-N 3.09Å; A372-S375 PolarHBondContact O-OG 3.36Å; A372-I376 WeakPolarHBondContact O-CD1 3.43Å; A372-I376 WeakPolarHBondContact O-CG1 3.08Å
373	I	91.1	Very high	91.7	Very high	13 Å²	13	22.3 Å²	22.3	7%	0.067	12%	0.119	C	C	.	.	H	α-helix	trans	-70.7	-51.6	179.9	-64.5	-54.8	0	0	0	111.8	V93 S369 G370 S375 I376 L377 L398 Y403	V93-I373 HydrophobicContact CG1-CD1 3.88Å; V93-I373 HydrophobicContact CG1-CG1 4.12Å; V93-I373 WeakPolarHBondContact O-CG1 3.32Å; S369-I373 WeakPolarHBondContact O-CG1 3.47Å; S369-I373 PolarHBondContact O-N 3.03Å; G370-I373 PolarHBondContact O-N 2.88Å; I373-S375 VanDerWaalsContact C-N 3.33Å; I373-S375 PolarHBondContact O-N 3.13Å; I373-I376 PolarHBondContact O-N 3.05Å; I373-L377 HydrophobicContact CG2-CD1 4Å; I373-L377 HydrophobicContact CG2-CG 4.3Å; I373-L377 PolarHBondContact O-N 3.41Å; I373-L398 HydrophobicContact CG2-CD1 4.48Å; I373-L398 HydrophobicContact CG2-CD2 4.19Å; I373-Y403 HydrophobicContact CD1-CD2 4.3Å; I373-Y403 HydrophobicContact CD1-CE2 4.46Å
374	F	92.1	Very high	91	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.009	12%	0.121	C	C	.	.	H	α-helix	trans	-70.7	-28	-174.8	-85.8	-88.1	0	0	0	113.4	P97 Y101 G302 F305 Y306 G370 I376 L377 G378	P97-F374 HydrophobicContact CB-CD2 3.88Å; P97-F374 HydrophobicContact CB-CE2 3.5Å; P97-F374 VanDerWaalsContact O-CE2 3.31Å; P97-F374 WeakPolarHBondContact O-CE2 3.4Å; Y101-F374 HydrophobicContact CD1-CE1 4.01Å; Y101-F374 HydrophobicContact CD1-CE2 4.27Å; Y101-F374 AromaticContact CD1-CZ 3.33Å; Y101-F374 HydrophobicContact CD1-CZ 3.33Å; Y101-F374 HydrophobicContact CE1-CZ 4.04Å; Y101-F374 HydrophobicContact CG-CE1 4.18Å; Y101-F374 AromaticContact CG-CZ 3.87Å; Y101-F374 HydrophobicContact CG-CZ 3.87Å; G302-F374 VanDerWaalsContact CA-O 3.24Å; G302-F374 WeakPolarHBondContact CA-O 3.35Å; F305-F374 HydrophobicContact CD1-CD1 4.29Å; F305-F374 AromaticContact CD1-CE1 3.82Å; F305-F374 HydrophobicContact CD1-CE1 3.82Å; F305-F374 HydrophobicContact CE1-CE1 4.43Å; Y306-F374 AromaticContact CD2-CD2 3.85Å; Y306-F374 HydrophobicContact CD2-CD2 3.85Å; Y306-F374 HydrophobicContact CD2-CE2 4.12Å; Y306-F374 HydrophobicContact CD2-CG 4.42Å; Y306-F374 HydrophobicContact CG-CB 4.31Å; Y306-F374 AromaticContact CG-CD2 3.89Å; Y306-F374 HydrophobicContact CG-CD2 3.89Å; Y306-F374 HydrophobicContact CG-CG 4.06Å; G370-F374 WeakPolarHBondContact O-CB 3.3Å; G370-F374 WeakPolarHBondContact O-CD2 3.48Å; G370-F374 PolarHBondContact O-N 2.97Å; F374-I376 VanDerWaalsContact C-N 3.33Å; F374-L377 HydrophobicContact CD1-CD1 4.21Å; F374-L377 HydrophobicContact CE1-CD1 4.02Å; F374-L377 HydrophobicContact CZ-CD1 4.21Å; F374-L377 PolarHBondContact O-N 3.21Å; F374-G378 PolarHBondContact O-N 3.45Å
375	S	94.3	Very high	90.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-39.6	171.7	58.8	0	0	0	0	112.1	G293 F371 A372 I373 G378 F379	G293-S375 VanDerWaalsContact C-CB 3.48Å; G293-S375 VanDerWaalsContact C-OG 3.27Å; G293-S375 VanDerWaalsContact CA-OG 3.28Å; G293-S375 WeakPolarHBondContact CA-OG 3.03Å; G293-S375 WeakPolarHBondContact O-CB 3.35Å; F371-S375 WeakPolarHBondContact O-CB 3.37Å; F371-S375 PolarHBondContact O-N 3.32Å; F371-S375 PolarHBondContact O-OG 3.36Å; A372-S375 PolarHBondContact O-OG 3.36Å; I373-S375 VanDerWaalsContact C-N 3.33Å; I373-S375 PolarHBondContact O-N 3.13Å; S375-G378 PolarHBondContact O-N 2.9Å; S375-F379 PolarHBondContact O-N 3.07Å; S375-F379 VanDerWaalsContact O-N 3.11Å
376	I	90.7	Very high	89.6	Confident	3 Å²	3	26 Å²	26	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-41.3	175	-66.3	170.7	0	0	0	111.5	L296 A372 I373 F374 G378 F379 M380 Y403 A406 M410	L296-I376 HydrophobicContact CD1-CG1 4.34Å; A372-I376 WeakPolarHBondContact O-CD1 3.43Å; A372-I376 WeakPolarHBondContact O-CG1 3.08Å; I373-I376 PolarHBondContact O-N 3.05Å; F374-I376 VanDerWaalsContact C-N 3.33Å; I376-G378 VanDerWaalsContact C-N 3.34Å; I376-G378 PolarHBondContact O-N 3.31Å; I376-F379 WeakPolarHBondContact O-CB 3.48Å; I376-F379 PolarHBondContact O-N 2.91Å; I376-M380 PolarHBondContact O-N 3.39Å; I376-Y403 HydrophobicContact CD1-CE2 3.61Å; I376-A406 HydrophobicContact CG2-CB 3.41Å; I376-A406 VanDerWaalsContact CG2-CB 3.41Å; I376-M410 HydrophobicContact CB-CE 4.49Å; I376-M410 HydrophobicContact CD1-CE 4.36Å; I376-M410 HydrophobicContact CG1-CE 4.13Å; I376-M410 HydrophobicContact CG2-CE 3.67Å
377	L	89.1	Confident	89.1	Confident	4 Å²	4	30.6 Å²	30.6	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-39	174.8	-69.1	178.3	0	0	0	112.1	I373 F374 F379 M380 A381 V391 A392 L398 A402	I373-L377 HydrophobicContact CG2-CD1 4Å; I373-L377 HydrophobicContact CG2-CG 4.3Å; I373-L377 PolarHBondContact O-N 3.41Å; F374-L377 HydrophobicContact CD1-CD1 4.21Å; F374-L377 HydrophobicContact CE1-CD1 4.02Å; F374-L377 HydrophobicContact CZ-CD1 4.21Å; F374-L377 PolarHBondContact O-N 3.21Å; L377-F379 VanDerWaalsContact C-N 3.33Å; L377-F379 PolarHBondContact O-N 3.11Å; L377-M380 PolarHBondContact O-N 2.79Å; L377-A381 WeakPolarHBondContact O-CB 3.36Å; L377-A381 PolarHBondContact O-N 3.31Å; L377-V391 HydrophobicContact CB-CG2 4.5Å; L377-V391 HydrophobicContact CD2-CG2 4.38Å; L377-A392 HydrophobicContact CD1-CB 4.39Å; L377-L398 HydrophobicContact CD1-CD1 4.08Å; L377-L398 HydrophobicContact CD2-CD1 4.3Å; L377-A402 HydrophobicContact CD2-CB 4.08Å
378	G	91.4	Very high	88.5	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-61.8	-41.1	174.6	0	0	0	0	0	112.3	G298 F374 S375 I376 Q382	G298-G378 CarbonylContact O-C 3.53Å; F374-G378 PolarHBondContact O-N 3.45Å; S375-G378 PolarHBondContact O-N 2.9Å; I376-G378 VanDerWaalsContact C-N 3.34Å; I376-G378 PolarHBondContact O-N 3.31Å; G378-Q382 WeakPolarHBondContact O-CB 3.28Å; G378-Q382 PolarHBondContact O-N 3.28Å
379	F	90.6	Very high	87.9	Confident	10 Å²	10	27.1 Å²	27.1	4%	0.044	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-47.6	170.5	163.5	-105.5	0	0	0	112.4	L296 P297 S375 I376 L377 A381 Q382 E383 M409 M410	L296-F379 HydrophobicContact CB-CB 3.78Å; L296-F379 HydrophobicContact CB-CD2 3.89Å; L296-F379 HydrophobicContact CB-CG 3.87Å; L296-F379 HydrophobicContact CD1-CB 4Å; L296-F379 HydrophobicContact CD1-CD1 3.81Å; L296-F379 HydrophobicContact CD1-CD2 4.42Å; L296-F379 HydrophobicContact CD1-CE1 4.4Å; L296-F379 HydrophobicContact CD1-CG 3.81Å; L296-F379 HydrophobicContact CD2-CD2 4.09Å; L296-F379 HydrophobicContact CD2-CE2 4.1Å; L296-F379 HydrophobicContact CD2-CG 4.29Å; L296-F379 HydrophobicContact CD2-CZ 4.31Å; L296-F379 HydrophobicContact CG-CB 4.45Å; L296-F379 HydrophobicContact CG-CD2 4.36Å; L296-F379 HydrophobicContact CG-CG 4.2Å; P297-F379 HydrophobicContact CG-CD2 3.82Å; P297-F379 HydrophobicContact CG-CE2 4.01Å; P297-F379 VanDerWaalsContact O-CA 3.22Å; P297-F379 WeakPolarHBondContact O-CA 3.33Å; P297-F379 WeakPolarHBondContact O-CB 3.38Å; P297-F379 WeakPolarHBondContact O-CD2 3.39Å; S375-F379 PolarHBondContact O-N 3.07Å; S375-F379 VanDerWaalsContact O-N 3.11Å; I376-F379 WeakPolarHBondContact O-CB 3.48Å; I376-F379 PolarHBondContact O-N 2.91Å; L377-F379 VanDerWaalsContact C-N 3.33Å; L377-F379 PolarHBondContact O-N 3.11Å; F379-A381 PolarHBondContact O-N 2.82Å; F379-Q382 PolarHBondContact O-N 2.96Å; F379-E383 HydrophobicContact CD2-CG 3.86Å; F379-E383 HydrophobicContact CE1-CG 4.36Å; F379-E383 HydrophobicContact CE2-CG 3.36Å; F379-E383 HydrophobicContact CZ-CG 3.66Å; F379-E383 WeakPolarHBondContact O-CB 3.36Å; F379-E383 WeakPolarHBondContact O-CG 3.21Å; F379-E383 PolarHBondContact O-N 3.43Å; F379-M409 HydrophobicContact CE1-CB 3.92Å; F379-M409 HydrophobicContact CZ-CB 4.1Å; F379-M410 HydrophobicContact CD1-CE 4.4Å; F379-M410 HydrophobicContact CE1-CE 4.46Å; F379-M410 HydrophobicContact CE1-CG 4.09Å
380	M	86.9	Confident	87.2	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.015	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-44.5	178.9	-179.8	-178	161.2	0	0	112	I376 L377 E383 Q384 V391 K405 A406	I376-M380 PolarHBondContact O-N 3.39Å; L377-M380 PolarHBondContact O-N 2.79Å; M380-E383 PolarHBondContact O-N 2.86Å; M380-Q384 WeakPolarHBondContact O-CB 3.18Å; M380-Q384 VanDerWaalsContact O-CG 3.3Å; M380-Q384 WeakPolarHBondContact O-CG 3.05Å; M380-Q384 PolarHBondContact O-N 2.88Å; M380-V391 HydrophobicContact CE-CB 3.78Å; M380-V391 HydrophobicContact CE-CG1 3.65Å; M380-V391 HydrophobicContact CG-CG1 4.43Å; M380-V391 HydrophobicContact SD-CB 4.11Å; M380-V391 HydrophobicContact SD-CG1 4.37Å; M380-K405 HydrophobicContact CE-CB 4.16Å; M380-K405 HydrophobicContact CE-CD 3.43Å; M380-K405 VanDerWaalsContact CE-CD 3.43Å; M380-K405 HydrophobicContact CE-CG 3.74Å; M380-K405 HydrophobicContact SD-CB 4.46Å; M380-K405 HydrophobicContact SD-CG 4.45Å; M380-A406 HydrophobicContact CB-CB 4.24Å; M380-A406 HydrophobicContact SD-CB 4.23Å
381	A	87.1	Confident	86.4	Confident	5 Å²	5	33.1 Å²	33.1	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-44.3	177	0	0	0	0	0	111.8	L377 F379 Q384 G385 V386 I388 V391	L377-A381 WeakPolarHBondContact O-CB 3.36Å; L377-A381 PolarHBondContact O-N 3.31Å; F379-A381 PolarHBondContact O-N 2.82Å; A381-Q384 PolarHBondContact O-N 3.24Å; A381-G385 WeakPolarHBondContact O-CA 3.24Å; A381-G385 PolarHBondContact O-N 2.94Å; A381-V386 PolarHBondContact O-N 3.23Å; A381-I388 HydrophobicContact CB-CB 4.33Å; A381-I388 HydrophobicContact CB-CG1 3.5Å; A381-I388 VanDerWaalsContact CB-CG1 3.5Å; A381-V391 HydrophobicContact CB-CG2 4.22Å
382	Q	87.1	Confident	85.5	Confident	122 Å²	122	31.2 Å²	31.2	57%	0.57	19%	0.187	S	C	*	.	H	α-helix	trans	-60.9	-46.7	176	-177.4	89.3	19.3	0	0	111.8	G378 F379 Q384 G385	G378-Q382 WeakPolarHBondContact O-CB 3.28Å; G378-Q382 PolarHBondContact O-N 3.28Å; F379-Q382 PolarHBondContact O-N 2.96Å; Q382-Q384 VanDerWaalsContact C-N 3.34Å; Q382-Q384 PolarHBondContact O-N 3.04Å; Q382-G385 PolarHBondContact O-N 2.97Å
383	E	84.1	Confident	84.5	Confident	62 Å²	62	34.6 Å²	34.6	29%	0.29	20%	0.202	S	C	.	.	H	α-helix	trans	-67.2	-34.5	180	-78.5	-60.7	144.7	0	0	112.5	K207 F379 M380 M409	K207-E383 WeakPolarHBondContact CE-O 3.44Å; K207-E383 PolarHBondContact NZ-O 3.26Å; K207-E383 IonicContact NZ-OE2 3.44Å; K207-E383 PolarHBondContact NZ-OE2 3.38Å; F379-E383 HydrophobicContact CD2-CG 3.86Å; F379-E383 HydrophobicContact CE1-CG 4.36Å; F379-E383 HydrophobicContact CE2-CG 3.36Å; F379-E383 HydrophobicContact CZ-CG 3.66Å; F379-E383 WeakPolarHBondContact O-CB 3.36Å; F379-E383 WeakPolarHBondContact O-CG 3.21Å; F379-E383 PolarHBondContact O-N 3.43Å; M380-E383 PolarHBondContact O-N 2.86Å; E383-M409 HydrophobicContact CB-SD 4.13Å
384	Q	79.4	Confident	83.6	Confident	24 Å²	24	36.9 Å²	36.9	11%	0.112	22%	0.219	C	C	.	.	H	α-helix	trans	-85.9	-16.3	179	-67.5	-170.8	13.1	0	0	113.5	D203 M380 A381 Q382 V386 M409	D203-Q384 PolarHBondContact OD2-NE2 3.49Å; D203-Q384 VanDerWaalsContact OD2-NE2 3.08Å; M380-Q384 WeakPolarHBondContact O-CB 3.18Å; M380-Q384 VanDerWaalsContact O-CG 3.3Å; M380-Q384 WeakPolarHBondContact O-CG 3.05Å; M380-Q384 PolarHBondContact O-N 2.88Å; A381-Q384 PolarHBondContact O-N 3.24Å; Q382-Q384 VanDerWaalsContact C-N 3.34Å; Q382-Q384 PolarHBondContact O-N 3.04Å; Q384-V386 VanDerWaalsContact C-N 3.32Å; Q384-V386 HydrophobicContact CB-CG1 4.25Å; Q384-V386 HydrophobicContact CB-CG2 3.82Å; Q384-M409 HydrophobicContact CG-CE 3.89Å; Q384-M409 HydrophobicContact CG-SD 4.38Å
385	G	78.8	Confident	82.8	Confident	70 Å²	70	38 Å²	38	72%	0.722	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	33.4	-174	0	0	0	0	0	113.2	A381 Q382	A381-G385 WeakPolarHBondContact O-CA 3.24Å; A381-G385 PolarHBondContact O-N 2.94Å; Q382-G385 PolarHBondContact O-N 2.97Å
386	V	80.9	Confident	82.3	Confident	40 Å²	40	38.8 Å²	38.8	24%	0.242	24%	0.236	C	C	.	.	S	Bend	trans	-117.5	167.1	179.7	-59.9	0	0	0	0	110.9	A381 Q384 V391	A381-V386 PolarHBondContact O-N 3.23Å; Q384-V386 VanDerWaalsContact C-N 3.32Å; Q384-V386 HydrophobicContact CB-CG1 4.25Å; Q384-V386 HydrophobicContact CB-CG2 3.82Å; V386-V391 HydrophobicContact CG2-CG1 3.56Å
387	D	83.3	Confident	82	Confident	95 Å²	95	39.1 Å²	39.1	51%	0.508	24%	0.24	S	C	.	.			trans	-68.3	148.3	173.4	-160.5	-62	0	0	0	110.7	A389 D390	D387-A389 PolarHBondContact O-N 3.13Å; D387-A389 WeakPolarHBondContact OD1-CB 3.29Å; D387-A389 PolarHBondContact OD1-N 3.49Å; D387-D390 PolarHBondContact O-N 3.42Å
388	I	82.6	Confident	81.8	Confident	16 Å²	16	39.3 Å²	39.3	8%	0.082	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-62.8	-32.2	176.2	-62.9	162.9	0	0	0	110.5	A301 F305 A381 D390 V391 A392	A301-I388 HydrophobicContact CB-CD1 3.98Å; A301-I388 WeakPolarHBondContact O-CD1 3.48Å; F305-I388 HydrophobicContact CB-CB 4.45Å; F305-I388 HydrophobicContact CB-CD1 3.86Å; F305-I388 HydrophobicContact CB-CG2 4.11Å; F305-I388 HydrophobicContact CD1-CB 4.19Å; F305-I388 HydrophobicContact CD1-CG2 3.53Å; F305-I388 HydrophobicContact CD2-CB 4.07Å; F305-I388 HydrophobicContact CD2-CD1 4.44Å; F305-I388 HydrophobicContact CD2-CG2 4.31Å; F305-I388 HydrophobicContact CE1-CB 4.43Å; F305-I388 HydrophobicContact CE1-CG2 3.93Å; F305-I388 HydrophobicContact CE2-CB 4.34Å; F305-I388 HydrophobicContact CG-CB 3.99Å; F305-I388 HydrophobicContact CG-CD1 4.26Å; F305-I388 HydrophobicContact CG-CG2 3.73Å; F305-I388 HydrophobicContact CZ-CG2 4.49Å; A381-I388 HydrophobicContact CB-CB 4.33Å; A381-I388 HydrophobicContact CB-CG1 3.5Å; A381-I388 VanDerWaalsContact CB-CG1 3.5Å; I388-D390 PolarHBondContact O-N 3.43Å; I388-V391 WeakPolarHBondContact O-CG2 3.29Å; I388-V391 PolarHBondContact O-N 3.41Å; I388-A392 WeakPolarHBondContact O-CB 3.3Å; I388-A392 PolarHBondContact O-N 2.95Å; I388-A392 VanDerWaalsContact O-N 3.11Å
389	A	82.3	Confident	81.7	Confident	49 Å²	49	39.5 Å²	39.5	41%	0.405	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-59.6	-33.8	176.5	0	0	0	0	0	112.8	F305 D387 V391	F305-A389 HydrophobicContact CE2-CB 4.38Å; F305-A389 HydrophobicContact CZ-CB 3.83Å; D387-A389 PolarHBondContact O-N 3.13Å; D387-A389 WeakPolarHBondContact OD1-CB 3.29Å; D387-A389 PolarHBondContact OD1-N 3.49Å; A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.27Å
390	D	77.5	Confident	81.8	Confident	121 Å²	121	39 Å²	39	65%	0.647	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-78.4	-14.3	-177.9	-64.6	-30.6	0	0	0	113	D387 I388	D387-D390 PolarHBondContact O-N 3.42Å; I388-D390 PolarHBondContact O-N 3.43Å
391	V	78.6	Confident	82	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.036	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-11.2	177.8	-56.6	0	0	0	0	112.7	L377 M380 A381 V386 I388 A389 E393 A402	L377-V391 HydrophobicContact CB-CG2 4.5Å; L377-V391 HydrophobicContact CD2-CG2 4.38Å; M380-V391 HydrophobicContact CE-CB 3.78Å; M380-V391 HydrophobicContact CE-CG1 3.65Å; M380-V391 HydrophobicContact CG-CG1 4.43Å; M380-V391 HydrophobicContact SD-CB 4.11Å; M380-V391 HydrophobicContact SD-CG1 4.37Å; A381-V391 HydrophobicContact CB-CG2 4.22Å; V386-V391 HydrophobicContact CG2-CG1 3.56Å; I388-V391 WeakPolarHBondContact O-CG2 3.29Å; I388-V391 PolarHBondContact O-N 3.41Å; A389-V391 VanDerWaalsContact C-N 3.29Å; A389-V391 PolarHBondContact O-N 3.27Å; V391-E393 PolarHBondContact O-N 3.36Å; V391-E393 VanDerWaalsContact O-N 3.11Å; V391-A402 WeakPolarHBondContact O-CB 3.39Å
392	A	74.6	Confident	82	Confident	8 Å²	8	39.6 Å²	39.6	7%	0.066	24%	0.243	C	C	.	.			trans	-85	77.1	-178.1	0	0	0	0	0	111.7	Y101 L377 I388	Y101-A392 HydrophobicContact CE1-CB 3.94Å; Y101-A392 HydrophobicContact CE2-CB 4.4Å; Y101-A392 PolarHBondContact OH-O 3.1Å; L377-A392 HydrophobicContact CD1-CB 4.39Å; I388-A392 WeakPolarHBondContact O-CB 3.3Å; I388-A392 PolarHBondContact O-N 2.95Å; I388-A392 VanDerWaalsContact O-N 3.11Å
393	E	73.2	Confident	82.1	Confident	73 Å²	73	34.3 Å²	34.3	34%	0.341	22%	0.218	S	C	.	.			trans	-67.5	157.1	175.8	-70.5	-64.2	168.1	0	0	113.2	Y98 V391 A402	Y98-E393 WeakPolarHBondContact CD2-O 3.39Å; V391-E393 PolarHBondContact O-N 3.36Å; V391-E393 VanDerWaalsContact O-N 3.11Å; E393-A402 HydrophobicContact CB-CB 4.47Å
394	S	71.2	Confident	82.5	Confident	61 Å²	61	31.4 Å²	31.4	43%	0.427	20%	0.204	S	C	.	.			trans	-101.2	149.3	178.1	80.1	0	0	0	0	112.8	Y98 G397	Y98-S394 WeakPolarHBondContact OH-CB 3.46Å; S394-G397 PolarHBondContact O-N 2.92Å
395	G	75.9	Confident	83	Confident	24 Å²	24	31.2 Å²	31.2	25%	0.247	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	-136.2	172.4	0	0	0	0	0	113.1	G397 L398	G395-G397 PolarHBondContact O-N 3.21Å; G395-G397 VanDerWaalsContact O-N 3.17Å; G395-L398 PolarHBondContact O-N 3.32Å; G395-L398 VanDerWaalsContact O-N 3.12Å
396	P	83	Confident	83.5	Confident	18 Å²	18	27.9 Å²	27.9	12%	0.117	17%	0.169	C	C	.	.	H	α-helix	trans	-56.5	-29.6	179.1	-26.5	35.6	0	0	0	114.2	W94 W173 W228 L398 A399 F400 M481 F484	W94-P396 HydrophobicContact CH2-CG 4.47Å; W173-P396 HydrophobicContact CZ3-CB 4.12Å; W173-P396 HydrophobicContact CZ3-CG 4.1Å; W228-P396 HydrophobicContact CZ2-CB 4.4Å; P396-L398 PolarHBondContact O-N 3.29Å; P396-A399 PolarHBondContact O-N 3.01Å; P396-F400 HydrophobicContact CB-CD2 3.96Å; P396-F400 HydrophobicContact CB-CE2 4.36Å; P396-F400 VanDerWaalsContact O-CD2 3.25Å; P396-F400 WeakPolarHBondContact O-CD2 3.38Å; P396-F400 PolarHBondContact O-N 3.13Å; P396-M481 HydrophobicContact CG-CE 4.37Å; P396-F484 HydrophobicContact CG-CE1 4.09Å; P396-F484 HydrophobicContact CG-CZ 4.42Å
397	G	85.5	Confident	83.9	Confident	10 Å²	10	26 Å²	26	10%	0.103	16%	0.157	C	C	.	.	H	α-helix	trans	-59	-32.9	178.3	0	0	0	0	0	112.7	S394 G395 A399 I401 A402	S394-G397 PolarHBondContact O-N 2.92Å; G395-G397 PolarHBondContact O-N 3.21Å; G395-G397 VanDerWaalsContact O-N 3.17Å; G397-A399 PolarHBondContact O-N 3.47Å; G397-I401 VanDerWaalsContact O-CA 3.31Å; G397-I401 WeakPolarHBondContact O-CA 3.34Å; G397-I401 WeakPolarHBondContact O-CB 3.28Å; G397-I401 PolarHBondContact O-N 3.38Å; G397-A402 PolarHBondContact O-N 3.31Å
398	L	84.2	Confident	84.3	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.042	14%	0.144	C	C	.	.	I	π-helix	trans	-65.4	-42.9	178.6	-169.7	65.1	0	0	0	112.3	W94 I373 L377 G395 P396 A402 Y403	W94-L398 HydrophobicContact CB-CD2 3.93Å; W94-L398 VanDerWaalsContact O-CD2 3.23Å; W94-L398 WeakPolarHBondContact O-CD2 3.23Å; I373-L398 HydrophobicContact CG2-CD1 4.48Å; I373-L398 HydrophobicContact CG2-CD2 4.19Å; L377-L398 HydrophobicContact CD1-CD1 4.08Å; L377-L398 HydrophobicContact CD2-CD1 4.3Å; G395-L398 PolarHBondContact O-N 3.32Å; G395-L398 VanDerWaalsContact O-N 3.12Å; P396-L398 PolarHBondContact O-N 3.29Å; L398-A402 HydrophobicContact CD1-CB 4.02Å; L398-Y403 WeakPolarHBondContact O-CB 3.4Å; L398-Y403 PolarHBondContact O-N 2.96Å
399	A	88.4	Confident	84.5	Confident	4 Å²	4	25 Å²	25	3%	0.033	15%	0.153	C	C	.	.	I	π-helix	trans	-84.9	-30.6	-178.8	0	0	0	0	0	114.3	W94 P396 G397 P404 F420 L424	W94-A399 HydrophobicContact CE3-CB 3.41Å; W94-A399 VanDerWaalsContact CE3-CB 3.41Å; W94-A399 HydrophobicContact CZ3-CB 3.69Å; P396-A399 PolarHBondContact O-N 3.01Å; G397-A399 PolarHBondContact O-N 3.47Å; A399-P404 WeakPolarHBondContact O-CD 3.25Å; A399-P404 VanDerWaalsContact O-CG 3.32Å; A399-P404 WeakPolarHBondContact O-CG 3.34Å; A399-F420 HydrophobicContact CB-CZ 4.2Å; A399-F420 WeakPolarHBondContact O-CE1 3.21Å; A399-L424 HydrophobicContact CB-CD1 3.95Å
400	F	92.8	Very high	84.7	Confident	1 Å²	1	23 Å²	23	0%	0.004	14%	0.135	C	C	.	.	I	π-helix	trans	-104.5	-10	-174.3	-61.1	-67.8	0	0	0	113.9	W94 I170 W173 A174 Y177 W228 P396 F421	W94-F400 HydrophobicContact CH2-CE2 4.47Å; W94-F400 AromaticContact CZ3-CE2 3.97Å; W94-F400 HydrophobicContact CZ3-CE2 3.97Å; I170-F400 HydrophobicContact CG2-CE2 4.04Å; I170-F400 HydrophobicContact CG2-CZ 4.07Å; W173-F400 HydrophobicContact CB-CD1 4.42Å; W173-F400 HydrophobicContact CB-CE1 3.78Å; W173-F400 HydrophobicContact CB-CE2 4.14Å; W173-F400 HydrophobicContact CB-CZ 3.63Å; W173-F400 HydrophobicContact CE3-CD2 4.31Å; W173-F400 AromaticContact CE3-CE2 3.8Å; W173-F400 HydrophobicContact CE3-CE2 3.8Å; W173-F400 HydrophobicContact CE3-CZ 4.36Å; A174-F400 HydrophobicContact CB-CE1 4.3Å; A174-F400 HydrophobicContact CB-CZ 4.33Å; Y177-F400 AromaticContact CD2-CD1 3.65Å; Y177-F400 HydrophobicContact CD2-CD1 3.65Å; Y177-F400 HydrophobicContact CD2-CE1 4.1Å; Y177-F400 HydrophobicContact CE2-CB 4.2Å; Y177-F400 AromaticContact CE2-CD1 3.62Å; Y177-F400 HydrophobicContact CE2-CD1 3.62Å; Y177-F400 HydrophobicContact CE2-CE1 4.44Å; Y177-F400 HydrophobicContact CE2-CG 4.25Å; Y177-F400 HydrophobicContact CG-CD1 4.17Å; Y177-F400 PolarHBondContact OH-O 2.9Å; W228-F400 HydrophobicContact CD2-CB 4.16Å; W228-F400 HydrophobicContact CE3-CB 3.6Å; W228-F400 HydrophobicContact CE3-CG 4.19Å; W228-F400 HydrophobicContact CH2-CB 3.98Å; W228-F400 AromaticContact CH2-CD2 3.73Å; W228-F400 HydrophobicContact CH2-CD2 3.73Å; W228-F400 HydrophobicContact CH2-CE2 4.45Å; W228-F400 AromaticContact CH2-CG 3.91Å; W228-F400 HydrophobicContact CH2-CG 3.91Å; W228-F400 HydrophobicContact CZ3-CB 3.5Å; W228-F400 VanDerWaalsContact CZ3-CB 3.5Å; W228-F400 HydrophobicContact CZ3-CD1 4.11Å; W228-F400 AromaticContact CZ3-CD2 3.89Å; W228-F400 HydrophobicContact CZ3-CD2 3.89Å; W228-F400 AromaticContact CZ3-CG 3.56Å; W228-F400 HydrophobicContact CZ3-CG 3.56Å; P396-F400 HydrophobicContact CB-CD2 3.96Å; P396-F400 HydrophobicContact CB-CE2 4.36Å; P396-F400 VanDerWaalsContact O-CD2 3.25Å; P396-F400 WeakPolarHBondContact O-CD2 3.38Å; P396-F400 PolarHBondContact O-N 3.13Å; F400-F421 AromaticContact CD1-CE1 3.93Å; F400-F421 HydrophobicContact CD1-CE1 3.93Å; F400-F421 HydrophobicContact CE1-CD1 4.49Å; F400-F421 AromaticContact CE1-CE1 3.92Å; F400-F421 HydrophobicContact CE1-CE1 3.92Å
401	I	90.8	Very high	85.2	Confident	18 Å²	18	21.3 Å²	21.3	9%	0.092	13%	0.13	C	C	.	.	I	π-helix	trans	-121.8	-63.7	176.6	-51.4	174.6	0	0	0	111	V224 I225 W228 G397 P404 K405	V224-I401 HydrophobicContact CG1-CG2 4.27Å; V224-I401 WeakPolarHBondContact CG1-O 3.32Å; I225-I401 HydrophobicContact CG1-CG2 3.72Å; W228-I401 HydrophobicContact CB-CD1 4.49Å; W228-I401 HydrophobicContact CB-CG1 4.14Å; W228-I401 HydrophobicContact CG-CD1 4.15Å; W228-I401 HydrophobicContact CG-CG1 4.04Å; G397-I401 VanDerWaalsContact O-CA 3.31Å; G397-I401 WeakPolarHBondContact O-CA 3.34Å; G397-I401 WeakPolarHBondContact O-CB 3.28Å; G397-I401 PolarHBondContact O-N 3.38Å; I401-P404 WeakPolarHBondContact O-CD 3.46Å; I401-K405 WeakPolarHBondContact O-CB 3.42Å; I401-K405 PolarHBondContact O-N 3.34Å; I401-K405 VanDerWaalsContact O-N 3.15Å
402	A	88.9	Confident	85.8	Confident	2 Å²	2	27.1 Å²	27.1	2%	0.017	16%	0.161	C	C	.	.	I	π-helix	trans	-66.1	-47.2	-172.2	0	0	0	0	0	112.5	L377 V391 E393 G397 L398 K405 A406	L377-A402 HydrophobicContact CD2-CB 4.08Å; V391-A402 WeakPolarHBondContact O-CB 3.39Å; E393-A402 HydrophobicContact CB-CB 4.47Å; G397-A402 PolarHBondContact O-N 3.31Å; L398-A402 HydrophobicContact CD1-CB 4.02Å; A402-K405 WeakPolarHBondContact O-CB 3.37Å; A402-K405 PolarHBondContact O-N 2.99Å; A402-A406 PolarHBondContact O-N 3.29Å
403	Y	88.8	Confident	86.6	Confident	10 Å²	10	28.8 Å²	28.8	4%	0.039	17%	0.171	C	C	.	.	H	α-helix	trans	-67.2	-48.1	-179.1	-166.8	-81	0	0	0	113.5	L289 I373 I376 L398 K405 A406 V407 F420	L289-Y403 WeakPolarHBondContact CD1-OH 3.18Å; L289-Y403 WeakPolarHBondContact CD2-OH 3.24Å; I373-Y403 HydrophobicContact CD1-CD2 4.3Å; I373-Y403 HydrophobicContact CD1-CE2 4.46Å; I376-Y403 HydrophobicContact CD1-CE2 3.61Å; L398-Y403 WeakPolarHBondContact O-CB 3.4Å; L398-Y403 PolarHBondContact O-N 2.96Å; Y403-K405 PolarHBondContact O-N 3.05Å; Y403-A406 PolarHBondContact O-N 3.28Å; Y403-V407 HydrophobicContact CD1-CG2 3.63Å; Y403-V407 HydrophobicContact CE1-CG2 3.26Å; Y403-V407 WeakPolarHBondContact O-CG2 3.4Å; Y403-V407 PolarHBondContact O-N 3.48Å; Y403-F420 HydrophobicContact CD1-CB 4.23Å; Y403-F420 AromaticContact CD1-CD1 3.31Å; Y403-F420 HydrophobicContact CD1-CD1 3.31Å; Y403-F420 AromaticContact CD1-CD2 3.59Å; Y403-F420 HydrophobicContact CD1-CD2 3.59Å; Y403-F420 AromaticContact CD1-CE1 3.29Å; Y403-F420 HydrophobicContact CD1-CE1 3.29Å; Y403-F420 AromaticContact CD1-CE2 3.59Å; Y403-F420 HydrophobicContact CD1-CE2 3.59Å; Y403-F420 AromaticContact CD1-CG 3.44Å; Y403-F420 HydrophobicContact CD1-CG 3.44Å; Y403-F420 VanDerWaalsContact CD1-CG 3.44Å; Y403-F420 AromaticContact CD1-CZ 3.43Å; Y403-F420 HydrophobicContact CD1-CZ 3.43Å; Y403-F420 VanDerWaalsContact CD1-CZ 3.43Å; Y403-F420 HydrophobicContact CD2-CD2 4.13Å; Y403-F420 AromaticContact CD2-CE2 3.65Å; Y403-F420 HydrophobicContact CD2-CE2 3.65Å; Y403-F420 AromaticContact CD2-CZ 3.89Å; Y403-F420 HydrophobicContact CD2-CZ 3.89Å; Y403-F420 HydrophobicContact CE1-CB 3.46Å; Y403-F420 VanDerWaalsContact CE1-CB 3.46Å; Y403-F420 AromaticContact CE1-CD1 3.47Å; Y403-F420 HydrophobicContact CE1-CD1 3.47Å; Y403-F420 VanDerWaalsContact CE1-CD1 3.47Å; Y403-F420 AromaticContact CE1-CD2 3.18Å; Y403-F420 HydrophobicContact CE1-CD2 3.18Å; Y403-F420 AromaticContact CE1-CE1 3.89Å; Y403-F420 HydrophobicContact CE1-CE1 3.89Å; Y403-F420 AromaticContact CE1-CE2 3.65Å; Y403-F420 HydrophobicContact CE1-CE2 3.65Å; Y403-F420 AromaticContact CE1-CG 3.06Å; Y403-F420 HydrophobicContact CE1-CG 3.06Å; Y403-F420 AromaticContact CE1-CZ 3.97Å; Y403-F420 HydrophobicContact CE1-CZ 3.97Å; Y403-F420 AromaticContact CE2-CD2 3.76Å; Y403-F420 HydrophobicContact CE2-CD2 3.76Å; Y403-F420 AromaticContact CE2-CE2 3.68Å; Y403-F420 HydrophobicContact CE2-CE2 3.68Å; Y403-F420 HydrophobicContact CE2-CG 4.49Å; Y403-F420 HydrophobicContact CE2-CZ 4.35Å; Y403-F420 HydrophobicContact CG-CD1 4.17Å; Y403-F420 HydrophobicContact CG-CD2 4.05Å; Y403-F420 AromaticContact CG-CE1 3.7Å; Y403-F420 HydrophobicContact CG-CE1 3.7Å; Y403-F420 AromaticContact CG-CE2 3.59Å; Y403-F420 HydrophobicContact CG-CE2 3.59Å; Y403-F420 HydrophobicContact CG-CG 4.3Å; Y403-F420 AromaticContact CG-CZ 3.38Å; Y403-F420 HydrophobicContact CG-CZ 3.38Å; Y403-F420 AromaticContact CZ-CD2 3.26Å; Y403-F420 AromaticContact CZ-CE2 3.68Å; Y403-F420 AromaticContact CZ-CG 3.66Å
404	P	92	Very high	87.6	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-32.6	177.9	-25.9	39.2	0	0	0	111.8	Y177 W188 V224 A399 I401 V407 T408 F421	Y177-P404 HydrophobicContact CE1-CG 4.21Å; W188-P404 HydrophobicContact CD2-CB 4.45Å; W188-P404 HydrophobicContact CG-CB 4.46Å; W188-P404 HydrophobicContact CZ2-CB 4.3Å; W188-P404 PolarHBondContact NE1-O 3.44Å; V224-P404 HydrophobicContact CG1-CB 4.26Å; A399-P404 WeakPolarHBondContact O-CD 3.25Å; A399-P404 VanDerWaalsContact O-CG 3.32Å; A399-P404 WeakPolarHBondContact O-CG 3.34Å; I401-P404 WeakPolarHBondContact O-CD 3.46Å; P404-V407 PolarHBondContact O-N 3.25Å; P404-T408 VanDerWaalsContact O-CG2 3.24Å; P404-T408 WeakPolarHBondContact O-CG2 3.29Å; P404-T408 PolarHBondContact O-N 3.4Å; P404-T408 VanDerWaalsContact O-N 3.16Å; P404-F421 HydrophobicContact CG-CE2 4.48Å; P404-F421 HydrophobicContact CG-CZ 3.79Å
405	K	89.9	Confident	88.6	Confident	20 Å²	20	29.3 Å²	29.3	9%	0.087	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-44	172.2	-168.4	165.7	-178.7	-140.9	0	112.6	D203 V224 M380 I401 A402 Y403 V407 T408	D203-K405 IonicContact OD1-NZ 2.74Å; D203-K405 WeakPolarHBondContact OD2-CE 3.44Å; D203-K405 IonicContact OD2-NZ 3.2Å; V224-K405 HydrophobicContact CB-CB 4.4Å; V224-K405 HydrophobicContact CG2-CB 3.81Å; V224-K405 HydrophobicContact CG2-CD 4.36Å; V224-K405 HydrophobicContact CG2-CG 4.03Å; M380-K405 HydrophobicContact CE-CB 4.16Å; M380-K405 HydrophobicContact CE-CD 3.43Å; M380-K405 VanDerWaalsContact CE-CD 3.43Å; M380-K405 HydrophobicContact CE-CG 3.74Å; M380-K405 HydrophobicContact SD-CB 4.46Å; M380-K405 HydrophobicContact SD-CG 4.45Å; I401-K405 WeakPolarHBondContact O-CB 3.42Å; I401-K405 PolarHBondContact O-N 3.34Å; I401-K405 VanDerWaalsContact O-N 3.15Å; A402-K405 WeakPolarHBondContact O-CB 3.37Å; A402-K405 PolarHBondContact O-N 2.99Å; Y403-K405 PolarHBondContact O-N 3.05Å; K405-V407 VanDerWaalsContact C-N 3.32Å; K405-V407 PolarHBondContact O-N 2.99Å; K405-T408 PolarHBondContact O-N 3.42Å; K405-T408 PolarHBondContact O-OG1 3.35Å
406	A	89.1	Confident	89.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65	-37.2	174.6	0	0	0	0	0	112.2	I376 M380 A402 Y403 T408 M409 M410	I376-A406 HydrophobicContact CG2-CB 3.41Å; I376-A406 VanDerWaalsContact CG2-CB 3.41Å; M380-A406 HydrophobicContact CB-CB 4.24Å; M380-A406 HydrophobicContact SD-CB 4.23Å; A402-A406 PolarHBondContact O-N 3.29Å; Y403-A406 PolarHBondContact O-N 3.28Å; A406-T408 PolarHBondContact O-N 3.03Å; A406-M409 WeakPolarHBondContact O-CB 3.15Å; A406-M409 PolarHBondContact O-N 3.03Å; A406-M410 HydrophobicContact CB-CE 4.39Å
407	V	90.6	Very high	89.9	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-39.2	178.8	166.4	0	0	0	0	112.4	L186 Y403 P404 K405 M409 M410 P413 W416	L186-V407 HydrophobicContact CD1-CG1 4.12Å; Y403-V407 HydrophobicContact CD1-CG2 3.63Å; Y403-V407 HydrophobicContact CE1-CG2 3.26Å; Y403-V407 WeakPolarHBondContact O-CG2 3.4Å; Y403-V407 PolarHBondContact O-N 3.48Å; P404-V407 PolarHBondContact O-N 3.25Å; K405-V407 VanDerWaalsContact C-N 3.32Å; K405-V407 PolarHBondContact O-N 2.99Å; V407-M409 PolarHBondContact O-N 2.97Å; V407-M409 VanDerWaalsContact O-N 3.13Å; V407-M410 PolarHBondContact O-N 2.82Å; V407-P413 HydrophobicContact CG1-CB 4.19Å; V407-P413 WeakPolarHBondContact CG1-O 3.47Å; V407-P413 WeakPolarHBondContact O-CB 3.31Å; V407-W416 HydrophobicContact CG1-CB 3.99Å; V407-W416 HydrophobicContact CG2-CB 4.25Å
408	T	90.6	Very high	90.3	Very high	38 Å²	38	30 Å²	30	23%	0.233	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-19.8	178.7	65.8	0	0	0	0	113.1	L186 W188 A189 P404 K405 A406	L186-T408 HydrophobicContact CD1-CG2 4.14Å; W188-T408 VanDerWaalsContact CD1-CG2 3.45Å; A189-T408 HydrophobicContact CB-CG2 4.04Å; P404-T408 VanDerWaalsContact O-CG2 3.24Å; P404-T408 WeakPolarHBondContact O-CG2 3.29Å; P404-T408 PolarHBondContact O-N 3.4Å; P404-T408 VanDerWaalsContact O-N 3.16Å; K405-T408 PolarHBondContact O-N 3.42Å; K405-T408 PolarHBondContact O-OG1 3.35Å; A406-T408 PolarHBondContact O-N 3.03Å
409	M	86.5	Confident	90.7	Very high	52 Å²	52	31 Å²	31	26%	0.256	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-10	178	-57.1	-175.7	174.4	0	0	113.4	D203 F379 E383 Q384 A406 V407	D203-M409 HydrophobicContact CB-CE 3.75Å; D203-M409 WeakPolarHBondContact OD2-CE 3.3Å; F379-M409 HydrophobicContact CE1-CB 3.92Å; F379-M409 HydrophobicContact CZ-CB 4.1Å; E383-M409 HydrophobicContact CB-SD 4.13Å; Q384-M409 HydrophobicContact CG-CE 3.89Å; Q384-M409 HydrophobicContact CG-SD 4.38Å; A406-M409 WeakPolarHBondContact O-CB 3.15Å; A406-M409 PolarHBondContact O-N 3.03Å; V407-M409 PolarHBondContact O-N 2.97Å; V407-M409 VanDerWaalsContact O-N 3.13Å
410	M	86.9	Confident	90.8	Very high	8 Å²	8	31 Å²	31	4%	0.039	16%	0.164	C	C	.	.	S	Bend	trans	-90.1	151.6	180	-61	-170.6	-159.3	0	0	111.4	L296 I376 F379 A406 V407 P413	L296-M410 HydrophobicContact CD1-CE 3.7Å; L296-M410 HydrophobicContact CD1-SD 4.16Å; I376-M410 HydrophobicContact CB-CE 4.49Å; I376-M410 HydrophobicContact CD1-CE 4.36Å; I376-M410 HydrophobicContact CG1-CE 4.13Å; I376-M410 HydrophobicContact CG2-CE 3.67Å; F379-M410 HydrophobicContact CD1-CE 4.4Å; F379-M410 HydrophobicContact CE1-CE 4.46Å; F379-M410 HydrophobicContact CE1-CG 4.09Å; A406-M410 HydrophobicContact CB-CE 4.39Å; V407-M410 PolarHBondContact O-N 2.82Å; M410-P413 WeakPolarHBondContact O-CD 3.39Å
411	P	88.1	Confident	90.9	Very high	84 Å²	84	31 Å²	31	55%	0.545	16%	0.164	S	C	.	.	S	Bend	trans	-61.8	141.4	167.4	27.5	-35	0	0	0	110.5	W416	P411-W416 VanDerWaalsContact O-CD1 3.25Å; P411-W416 PolarHBondContact O-NE1 3.28Å
412	L	90.6	Very high	91.1	Very high	129 Å²	129	32.4 Å²	32.4	68%	0.675	17%	0.172	S	C	*	.	S	Bend	trans	58	55.9	-175.3	-55.8	170.4	0	0	0	112.8	T414 F415 W416	L412-T414 VanDerWaalsContact C-N 3.29Å; L412-T414 PolarHBondContact O-N 3.15Å; L412-F415 HydrophobicContact CB-CB 4.2Å; L412-F415 WeakPolarHBondContact O-CB 3.41Å; L412-F415 PolarHBondContact O-N 3.27Å; L412-F415 VanDerWaalsContact O-N 3.1Å; L412-W416 PolarHBondContact O-N 2.55Å
413	P	91.9	Very high	91.3	Very high	42 Å²	42	32.4 Å²	32.4	27%	0.273	17%	0.171	S	C	.	.	H	α-helix	trans	-60	-37.5	-171.7	26.7	-36.2	0	0	0	112.6	L186 V407 M410 F415 W416 S417	L186-P413 HydrophobicContact CD1-CB 3.81Å; V407-P413 HydrophobicContact CG1-CB 4.19Å; V407-P413 WeakPolarHBondContact CG1-O 3.47Å; V407-P413 WeakPolarHBondContact O-CB 3.31Å; M410-P413 WeakPolarHBondContact O-CD 3.39Å; P413-F415 VanDerWaalsContact C-N 3.32Å; P413-F415 PolarHBondContact O-N 2.75Å; P413-W416 PolarHBondContact O-N 2.95Å; P413-S417 WeakPolarHBondContact O-CB 3.3Å; P413-S417 PolarHBondContact O-N 2.91Å
414	T	93.6	Very high	91.5	Very high	38 Å²	38	32.1 Å²	32.1	23%	0.233	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-42.5	176.7	-43.8	0	0	0	0	112.6	S181 L412 S417 I418	S181-T414 WeakPolarHBondContact O-CG2 3.45Å; L412-T414 VanDerWaalsContact C-N 3.29Å; L412-T414 PolarHBondContact O-N 3.15Å; T414-S417 PolarHBondContact O-N 2.99Å; T414-I418 HydrophobicContact CG2-CD1 4.14Å; T414-I418 VanDerWaalsContact O-CG1 3.32Å; T414-I418 WeakPolarHBondContact O-CG1 3.16Å; T414-I418 PolarHBondContact O-N 3.49Å
415	F	92	Very high	91.6	Very high	107 Å²	107	33.7 Å²	33.7	47%	0.469	18%	0.179	S	C	.	.	H	α-helix	trans	-64.2	-48.6	-179.9	171.3	-102.1	0	0	0	111.5	L412 P413 S417 I418 L419	L412-F415 HydrophobicContact CB-CB 4.2Å; L412-F415 WeakPolarHBondContact O-CB 3.41Å; L412-F415 PolarHBondContact O-N 3.27Å; L412-F415 VanDerWaalsContact O-N 3.1Å; P413-F415 VanDerWaalsContact C-N 3.32Å; P413-F415 PolarHBondContact O-N 2.75Å; F415-S417 VanDerWaalsContact C-N 3.33Å; F415-S417 PolarHBondContact O-N 3.15Å; F415-I418 PolarHBondContact O-N 2.85Å; F415-L419 HydrophobicContact CD1-CD1 4.15Å; F415-L419 HydrophobicContact CD2-CD1 4.35Å; F415-L419 HydrophobicContact CE1-CD1 3.54Å; F415-L419 HydrophobicContact CE2-CD1 3.77Å; F415-L419 HydrophobicContact CE2-CG 4.32Å; F415-L419 HydrophobicContact CZ-CD1 3.34Å; F415-L419 HydrophobicContact CZ-CG 4.35Å; F415-L419 WeakPolarHBondContact O-CG 3.13Å; F415-L419 PolarHBondContact O-N 2.9Å; F415-L419 VanDerWaalsContact O-N 3.16Å
416	W	91.9	Very high	91.9	Very high	31 Å²	31	33.6 Å²	33.6	12%	0.117	18%	0.179	C	C	.	.	H	α-helix	trans	-65.6	-37	178.7	-61.8	110.3	0	0	0	112.5	V288 L289 R292 V407 P411 L412 P413 F420	V288-W416 HydrophobicContact CG1-CH2 4.47Å; V288-W416 HydrophobicContact CG1-CZ3 3.97Å; L289-W416 HydrophobicContact CD2-CE3 4.12Å; L289-W416 HydrophobicContact CD2-CZ3 4.32Å; R292-W416 HydrophobicContact CB-CH2 3.9Å; R292-W416 HydrophobicContact CB-CZ3 4.1Å; R292-W416 HydrophobicContact CG-CH2 3.64Å; R292-W416 HydrophobicContact CG-CZ2 3.9Å; R292-W416 HydrophobicContact CG-CZ3 3.99Å; V407-W416 HydrophobicContact CG1-CB 3.99Å; V407-W416 HydrophobicContact CG2-CB 4.25Å; P411-W416 VanDerWaalsContact O-CD1 3.25Å; P411-W416 PolarHBondContact O-NE1 3.28Å; L412-W416 PolarHBondContact O-N 2.55Å; P413-W416 PolarHBondContact O-N 2.95Å; W416-F420 VanDerWaalsContact O-CB 3.26Å; W416-F420 WeakPolarHBondContact O-CB 3.28Å; W416-F420 PolarHBondContact O-N 2.62Å
417	S	93.9	Very high	92	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-51.2	176.4	-168.8	0	0	0	0	111.7	S181 W188 P413 T414 F415 L419 F420 F421	S181-S417 PolarHBondContact OG-OG 3.41Å; W188-S417 VanDerWaalsContact CZ2-OG 3.29Å; W188-S417 WeakPolarHBondContact CZ2-OG 3.48Å; P413-S417 WeakPolarHBondContact O-CB 3.3Å; P413-S417 PolarHBondContact O-N 2.91Å; T414-S417 PolarHBondContact O-N 2.99Å; F415-S417 VanDerWaalsContact C-N 3.33Å; F415-S417 PolarHBondContact O-N 3.15Å; S417-L419 PolarHBondContact O-N 3.32Å; S417-F420 PolarHBondContact O-N 2.85Å; S417-F421 WeakPolarHBondContact O-CD2 3.48Å; S417-F421 PolarHBondContact O-N 3.46Å; S417-F421 WeakPolarHBondContact OG-CD2 3.25Å; S417-F421 WeakPolarHBondContact OG-CE2 3.45Å
418	I	94.2	Very high	92.2	Very high	35 Å²	35	33.7 Å²	33.7	18%	0.179	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-49.2	179.5	-69.9	167.4	0	0	0	110.4	L178 F182 T414 F415 F420 F421 I422	L178-I418 HydrophobicContact CD1-CG2 4.16Å; F182-I418 HydrophobicContact CD1-CD1 3.86Å; F182-I418 HydrophobicContact CE1-CD1 3.72Å; F182-I418 HydrophobicContact CE1-CG1 4.25Å; F182-I418 HydrophobicContact CE1-CG2 4.5Å; F182-I418 HydrophobicContact CZ-CD1 4.4Å; F182-I418 HydrophobicContact CZ-CG1 4.46Å; F182-I418 HydrophobicContact CZ-CG2 4.34Å; T414-I418 HydrophobicContact CG2-CD1 4.14Å; T414-I418 VanDerWaalsContact O-CG1 3.32Å; T414-I418 WeakPolarHBondContact O-CG1 3.16Å; T414-I418 PolarHBondContact O-N 3.49Å; F415-I418 PolarHBondContact O-N 2.85Å; I418-F420 VanDerWaalsContact C-N 3.33Å; I418-F420 PolarHBondContact O-N 2.86Å; I418-F421 PolarHBondContact O-N 2.76Å; I418-I422 HydrophobicContact CG2-CD1 3.69Å; I418-I422 HydrophobicContact CG2-CG1 4.43Å; I418-I422 WeakPolarHBondContact O-CB 3.32Å; I418-I422 VanDerWaalsContact O-CG1 3.26Å; I418-I422 WeakPolarHBondContact O-CG1 3.39Å; I418-I422 PolarHBondContact O-N 2.87Å
419	L	92.4	Very high	92.4	Very high	30 Å²	30	32.4 Å²	32.4	16%	0.157	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-39.9	-179.1	-71.5	-175.8	0	0	0	112.8	F281 M285 F415 S417 M423	F281-L419 HydrophobicContact CZ-CD2 4.47Å; M285-L419 HydrophobicContact CE-CB 3.53Å; M285-L419 HydrophobicContact CE-CD1 3.88Å; M285-L419 HydrophobicContact CE-CG 4.19Å; M285-L419 HydrophobicContact SD-CB 4.06Å; M285-L419 HydrophobicContact SD-CD1 4.07Å; M285-L419 HydrophobicContact SD-CD2 3.95Å; M285-L419 HydrophobicContact SD-CG 4.26Å; F415-L419 HydrophobicContact CD1-CD1 4.15Å; F415-L419 HydrophobicContact CD2-CD1 4.35Å; F415-L419 HydrophobicContact CE1-CD1 3.54Å; F415-L419 HydrophobicContact CE2-CD1 3.77Å; F415-L419 HydrophobicContact CE2-CG 4.32Å; F415-L419 HydrophobicContact CZ-CD1 3.34Å; F415-L419 HydrophobicContact CZ-CG 4.35Å; F415-L419 WeakPolarHBondContact O-CG 3.13Å; F415-L419 PolarHBondContact O-N 2.9Å; F415-L419 VanDerWaalsContact O-N 3.16Å; S417-L419 PolarHBondContact O-N 3.32Å; L419-M423 WeakPolarHBondContact O-CB 3.35Å; L419-M423 PolarHBondContact O-N 2.99Å
420	F	92.1	Very high	92.8	Very high	3 Å²	3	30 Å²	30	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-47.7	177.8	175.8	-108.4	0	0	0	112.4	L289 A399 Y403 W416 S417 I418 I422 M423 L424	L289-F420 HydrophobicContact CD1-CD2 4.26Å; A399-F420 HydrophobicContact CB-CZ 4.2Å; A399-F420 WeakPolarHBondContact O-CE1 3.21Å; Y403-F420 HydrophobicContact CD1-CB 4.23Å; Y403-F420 AromaticContact CD1-CD1 3.31Å; Y403-F420 HydrophobicContact CD1-CD1 3.31Å; Y403-F420 AromaticContact CD1-CD2 3.59Å; Y403-F420 HydrophobicContact CD1-CD2 3.59Å; Y403-F420 AromaticContact CD1-CE1 3.29Å; Y403-F420 HydrophobicContact CD1-CE1 3.29Å; Y403-F420 AromaticContact CD1-CE2 3.59Å; Y403-F420 HydrophobicContact CD1-CE2 3.59Å; Y403-F420 AromaticContact CD1-CG 3.44Å; Y403-F420 HydrophobicContact CD1-CG 3.44Å; Y403-F420 VanDerWaalsContact CD1-CG 3.44Å; Y403-F420 AromaticContact CD1-CZ 3.43Å; Y403-F420 HydrophobicContact CD1-CZ 3.43Å; Y403-F420 VanDerWaalsContact CD1-CZ 3.43Å; Y403-F420 HydrophobicContact CD2-CD2 4.13Å; Y403-F420 AromaticContact CD2-CE2 3.65Å; Y403-F420 HydrophobicContact CD2-CE2 3.65Å; Y403-F420 AromaticContact CD2-CZ 3.89Å; Y403-F420 HydrophobicContact CD2-CZ 3.89Å; Y403-F420 HydrophobicContact CE1-CB 3.46Å; Y403-F420 VanDerWaalsContact CE1-CB 3.46Å; Y403-F420 AromaticContact CE1-CD1 3.47Å; Y403-F420 HydrophobicContact CE1-CD1 3.47Å; Y403-F420 VanDerWaalsContact CE1-CD1 3.47Å; Y403-F420 AromaticContact CE1-CD2 3.18Å; Y403-F420 HydrophobicContact CE1-CD2 3.18Å; Y403-F420 AromaticContact CE1-CE1 3.89Å; Y403-F420 HydrophobicContact CE1-CE1 3.89Å; Y403-F420 AromaticContact CE1-CE2 3.65Å; Y403-F420 HydrophobicContact CE1-CE2 3.65Å; Y403-F420 AromaticContact CE1-CG 3.06Å; Y403-F420 HydrophobicContact CE1-CG 3.06Å; Y403-F420 AromaticContact CE1-CZ 3.97Å; Y403-F420 HydrophobicContact CE1-CZ 3.97Å; Y403-F420 AromaticContact CE2-CD2 3.76Å; Y403-F420 HydrophobicContact CE2-CD2 3.76Å; Y403-F420 AromaticContact CE2-CE2 3.68Å; Y403-F420 HydrophobicContact CE2-CE2 3.68Å; Y403-F420 HydrophobicContact CE2-CG 4.49Å; Y403-F420 HydrophobicContact CE2-CZ 4.35Å; Y403-F420 HydrophobicContact CG-CD1 4.17Å; Y403-F420 HydrophobicContact CG-CD2 4.05Å; Y403-F420 AromaticContact CG-CE1 3.7Å; Y403-F420 HydrophobicContact CG-CE1 3.7Å; Y403-F420 AromaticContact CG-CE2 3.59Å; Y403-F420 HydrophobicContact CG-CE2 3.59Å; Y403-F420 HydrophobicContact CG-CG 4.3Å; Y403-F420 AromaticContact CG-CZ 3.38Å; Y403-F420 HydrophobicContact CG-CZ 3.38Å; Y403-F420 AromaticContact CZ-CD2 3.26Å; Y403-F420 AromaticContact CZ-CE2 3.68Å; Y403-F420 AromaticContact CZ-CG 3.66Å; W416-F420 VanDerWaalsContact O-CB 3.26Å; W416-F420 WeakPolarHBondContact O-CB 3.28Å; W416-F420 PolarHBondContact O-N 2.62Å; S417-F420 PolarHBondContact O-N 2.85Å; I418-F420 VanDerWaalsContact C-N 3.33Å; I418-F420 PolarHBondContact O-N 2.86Å; F420-I422 PolarHBondContact O-N 3.44Å; F420-M423 HydrophobicContact CD2-CE 3.71Å; F420-M423 HydrophobicContact CE2-CE 3.92Å; F420-M423 WeakPolarHBondContact O-CB 3.28Å; F420-M423 PolarHBondContact O-N 3.29Å; F420-L424 HydrophobicContact CD1-CD1 3.83Å; F420-L424 HydrophobicContact CD1-CG 4.34Å; F420-L424 HydrophobicContact CD2-CG 4.45Å; F420-L424 HydrophobicContact CE1-CD1 3.23Å; F420-L424 HydrophobicContact CE1-CG 3.98Å; F420-L424 HydrophobicContact CE2-CD1 4.18Å; F420-L424 HydrophobicContact CE2-CD2 4.21Å; F420-L424 HydrophobicContact CE2-CG 4.09Å; F420-L424 HydrophobicContact CZ-CD1 3.44Å; F420-L424 VanDerWaalsContact CZ-CD1 3.44Å; F420-L424 HydrophobicContact CZ-CD2 4.06Å; F420-L424 HydrophobicContact CZ-CG 3.85Å; F420-L424 WeakPolarHBondContact O-CG 3.24Å; F420-L424 PolarHBondContact O-N 3.44Å
421	F	94.8	Very high	93.1	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-71.9	-28.8	-179.6	-71.7	-64.7	0	0	0	113	A174 Y177 L178 W188 F400 P404 S417 I418 L424 L425	A174-F421 HydrophobicContact CB-CD1 4.46Å; Y177-F421 VanDerWaalsContact CB-CE1 3.44Å; Y177-F421 VanDerWaalsContact CB-CZ 3.44Å; Y177-F421 AromaticContact CD1-CE1 3.9Å; Y177-F421 HydrophobicContact CD1-CE1 3.9Å; Y177-F421 AromaticContact CD1-CE2 3.68Å; Y177-F421 HydrophobicContact CD1-CE2 3.68Å; Y177-F421 AromaticContact CD1-CZ 3.21Å; Y177-F421 HydrophobicContact CD1-CZ 3.21Å; Y177-F421 HydrophobicContact CE1-CZ 4.04Å; Y177-F421 HydrophobicContact CG-CD1 4.42Å; Y177-F421 AromaticContact CG-CE1 3.73Å; Y177-F421 HydrophobicContact CG-CE1 3.73Å; Y177-F421 HydrophobicContact CG-CE2 4.08Å; Y177-F421 AromaticContact CG-CZ 3.52Å; Y177-F421 HydrophobicContact CG-CZ 3.52Å; L178-F421 HydrophobicContact CB-CB 3.98Å; L178-F421 HydrophobicContact CD1-CB 4.35Å; W188-F421 HydrophobicContact CH2-CE2 4.08Å; W188-F421 HydrophobicContact CZ2-CE2 4.14Å; F400-F421 AromaticContact CD1-CE1 3.93Å; F400-F421 HydrophobicContact CD1-CE1 3.93Å; F400-F421 HydrophobicContact CE1-CD1 4.49Å; F400-F421 AromaticContact CE1-CE1 3.92Å; F400-F421 HydrophobicContact CE1-CE1 3.92Å; P404-F421 HydrophobicContact CG-CE2 4.48Å; P404-F421 HydrophobicContact CG-CZ 3.79Å; S417-F421 WeakPolarHBondContact O-CD2 3.48Å; S417-F421 PolarHBondContact O-N 3.46Å; S417-F421 WeakPolarHBondContact OG-CD2 3.25Å; S417-F421 WeakPolarHBondContact OG-CE2 3.45Å; I418-F421 PolarHBondContact O-N 2.76Å; F421-L424 HydrophobicContact CD1-CD1 3.84Å; F421-L424 HydrophobicContact CE1-CD1 4.02Å; F421-L425 VanDerWaalsContact O-CB 3.25Å; F421-L425 WeakPolarHBondContact O-CB 3.28Å; F421-L425 PolarHBondContact O-N 3.31Å
422	I	94.6	Very high	93.5	Very high	48 Å²	48	25.9 Å²	25.9	25%	0.246	13%	0.133	C	C	.	.	H	α-helix	trans	-63.8	-47	166.9	-69.7	171.5	0	0	0	110.2	L178 F281 I418 F420 L424 L425 L426	L178-I422 HydrophobicContact CD1-CD1 4.44Å; L178-I422 HydrophobicContact CD1-CG1 3.84Å; L178-I422 HydrophobicContact CD2-CG1 4.02Å; F281-I422 HydrophobicContact CD1-CG2 4.19Å; F281-I422 HydrophobicContact CE1-CB 4.43Å; F281-I422 HydrophobicContact CE1-CG2 3.56Å; F281-I422 HydrophobicContact CZ-CG2 4.16Å; I418-I422 HydrophobicContact CG2-CD1 3.69Å; I418-I422 HydrophobicContact CG2-CG1 4.43Å; I418-I422 WeakPolarHBondContact O-CB 3.32Å; I418-I422 VanDerWaalsContact O-CG1 3.26Å; I418-I422 WeakPolarHBondContact O-CG1 3.39Å; I418-I422 PolarHBondContact O-N 2.87Å; F420-I422 PolarHBondContact O-N 3.44Å; I422-L424 PolarHBondContact O-N 2.95Å; I422-L425 PolarHBondContact O-N 3.48Å; I422-L426 HydrophobicContact CG2-CD1 3.86Å; I422-L426 HydrophobicContact CG2-CG 4.26Å; I422-L426 WeakPolarHBondContact O-CB 3.01Å; I422-L426 VanDerWaalsContact O-CG 3.3Å; I422-L426 WeakPolarHBondContact O-CG 3.22Å; I422-L426 PolarHBondContact O-N 2.96Å
423	M	92.8	Very high	93.6	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-47.9	177.2	179.5	-168.8	76.1	0	0	111.5	V93 P282 M285 L286 L289 L419 F420 L425 L426 L427	V93-M423 HydrophobicContact CG1-CE 4.47Å; P282-M423 HydrophobicContact CB-CG 4.18Å; M285-M423 HydrophobicContact CB-CB 4.09Å; M285-M423 HydrophobicContact CB-CG 3.94Å; M285-M423 HydrophobicContact CB-SD 3.82Å; M285-M423 HydrophobicContact CG-CB 4.34Å; L286-M423 HydrophobicContact CD2-CE 4.39Å; L286-M423 HydrophobicContact CD2-SD 3.9Å; L286-M423 HydrophobicContact CG-SD 3.97Å; L289-M423 HydrophobicContact CD1-CE 3.8Å; L289-M423 HydrophobicContact CD1-SD 3.84Å; L419-M423 WeakPolarHBondContact O-CB 3.35Å; L419-M423 PolarHBondContact O-N 2.99Å; F420-M423 HydrophobicContact CD2-CE 3.71Å; F420-M423 HydrophobicContact CE2-CE 3.92Å; F420-M423 WeakPolarHBondContact O-CB 3.28Å; F420-M423 PolarHBondContact O-N 3.29Å; M423-L425 VanDerWaalsContact C-N 3.35Å; M423-L425 PolarHBondContact O-N 3.46Å; M423-L426 PolarHBondContact O-N 2.96Å; M423-L427 HydrophobicContact CG-CD1 3.98Å; M423-L427 HydrophobicContact CG-CG 4.49Å; M423-L427 WeakPolarHBondContact O-CB 3.36Å; M423-L427 WeakPolarHBondContact O-CG 3.32Å; M423-L427 PolarHBondContact O-N 2.67Å
424	L	92.9	Very high	93.7	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-60.3	-43.9	176.7	-72.9	-179.1	0	0	0	112	L90 A174 A399 F420 F421 I422 G428	L90-L424 HydrophobicContact CD2-CB 4.22Å; L90-L424 HydrophobicContact CD2-CD2 3.57Å; L90-L424 HydrophobicContact CD2-CG 4.49Å; A174-L424 HydrophobicContact CB-CB 4.38Å; A399-L424 HydrophobicContact CB-CD1 3.95Å; F420-L424 HydrophobicContact CD1-CD1 3.83Å; F420-L424 HydrophobicContact CD1-CG 4.34Å; F420-L424 HydrophobicContact CD2-CG 4.45Å; F420-L424 HydrophobicContact CE1-CD1 3.23Å; F420-L424 HydrophobicContact CE1-CG 3.98Å; F420-L424 HydrophobicContact CE2-CD1 4.18Å; F420-L424 HydrophobicContact CE2-CD2 4.21Å; F420-L424 HydrophobicContact CE2-CG 4.09Å; F420-L424 HydrophobicContact CZ-CD1 3.44Å; F420-L424 VanDerWaalsContact CZ-CD1 3.44Å; F420-L424 HydrophobicContact CZ-CD2 4.06Å; F420-L424 HydrophobicContact CZ-CG 3.85Å; F420-L424 WeakPolarHBondContact O-CG 3.24Å; F420-L424 PolarHBondContact O-N 3.44Å; F421-L424 HydrophobicContact CD1-CD1 3.84Å; F421-L424 HydrophobicContact CE1-CD1 4.02Å; I422-L424 PolarHBondContact O-N 2.95Å; L424-G428 PolarHBondContact O-N 3.22Å
425	L	94.9	Very high	93.8	Very high	34 Å²	34	16.6 Å²	16.6	18%	0.178	8%	0.08	C	C	.	.	H	α-helix	trans	-61.9	-45	178.8	-177.1	63	0	0	0	111.2	L171 T175 L178 V256 F421 I422 M423 G428 L429	L171-L425 HydrophobicContact CB-CD1 4.04Å; L171-L425 HydrophobicContact CG-CD1 4.33Å; T175-L425 WeakPolarHBondContact OG1-CD1 3.39Å; L178-L425 HydrophobicContact CD2-CD2 4.37Å; V256-L425 HydrophobicContact CG2-CD1 4.31Å; F421-L425 VanDerWaalsContact O-CB 3.25Å; F421-L425 WeakPolarHBondContact O-CB 3.28Å; F421-L425 PolarHBondContact O-N 3.31Å; I422-L425 PolarHBondContact O-N 3.48Å; M423-L425 VanDerWaalsContact C-N 3.35Å; M423-L425 PolarHBondContact O-N 3.46Å; L425-G428 PolarHBondContact O-N 2.9Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 PolarHBondContact O-N 2.7Å
426	L	94.4	Very high	94	Very high	17 Å²	17	11.5 Å²	11.5	9%	0.089	6%	0.058	C	C	.	.	H	α-helix	trans	-68.9	-42.5	-179.4	-67.6	-179.4	0	0	0	112.7	F277 T278 F281 P282 I422 M423 G428 L429 D430	F277-L426 HydrophobicContact CD1-CD1 4.49Å; F277-L426 HydrophobicContact CE1-CD1 3.81Å; F277-L426 HydrophobicContact CE1-CD2 4.28Å; F277-L426 HydrophobicContact CZ-CD1 4.24Å; T278-L426 HydrophobicContact CG2-CD2 3.83Å; F281-L426 HydrophobicContact CB-CD1 3.96Å; F281-L426 HydrophobicContact CD1-CD1 3.52Å; F281-L426 HydrophobicContact CE1-CD1 4.27Å; F281-L426 HydrophobicContact CG-CD1 3.96Å; P282-L426 HydrophobicContact CG-CB 3.9Å; I422-L426 HydrophobicContact CG2-CD1 3.86Å; I422-L426 HydrophobicContact CG2-CG 4.26Å; I422-L426 WeakPolarHBondContact O-CB 3.01Å; I422-L426 VanDerWaalsContact O-CG 3.3Å; I422-L426 WeakPolarHBondContact O-CG 3.22Å; I422-L426 PolarHBondContact O-N 2.96Å; M423-L426 PolarHBondContact O-N 2.96Å; L426-G428 VanDerWaalsContact C-N 3.3Å; L426-G428 PolarHBondContact O-N 2.64Å; L426-L429 PolarHBondContact O-N 3.23Å; L426-D430 PolarHBondContact O-N 3.18Å; L426-D430 VanDerWaalsContact O-N 3.13Å
427	L	92.7	Very high	94.1	Very high	3 Å²	3	10.1 Å²	10.1	2%	0.016	5%	0.053	C	C	.	.	H	α-helix	trans	-59.7	-41.1	172.8	-75	171.3	0	0	0	112.1	V88 L90 V93 P282 M423	V88-L427 HydrophobicContact CG1-CD2 4.27Å; V88-L427 WeakPolarHBondContact O-CD2 3.32Å; L90-L427 HydrophobicContact CD2-CB 4.32Å; V93-L427 HydrophobicContact CG2-CD1 3.61Å; P282-L427 HydrophobicContact CB-CD1 4.3Å; P282-L427 HydrophobicContact CB-CD2 3.43Å; P282-L427 VanDerWaalsContact CB-CD2 3.43Å; P282-L427 HydrophobicContact CB-CG 3.62Å; P282-L427 HydrophobicContact CG-CD2 3.88Å; P282-L427 HydrophobicContact CG-CG 3.88Å; M423-L427 HydrophobicContact CG-CD1 3.98Å; M423-L427 HydrophobicContact CG-CG 4.49Å; M423-L427 WeakPolarHBondContact O-CB 3.36Å; M423-L427 WeakPolarHBondContact O-CG 3.32Å; M423-L427 PolarHBondContact O-N 2.67Å
428	G	94.6	Very high	94.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-68.9	-42.9	175.9	0	0	0	0	0	112.4	Y167 L424 L425 L426 D430 S431 Q432	Y167-G428 WeakPolarHBondContact CE1-O 3.3Å; L424-G428 PolarHBondContact O-N 3.22Å; L425-G428 PolarHBondContact O-N 2.9Å; L426-G428 VanDerWaalsContact C-N 3.3Å; L426-G428 PolarHBondContact O-N 2.64Å; G428-D430 VanDerWaalsContact C-N 3.33Å; G428-D430 PolarHBondContact O-N 3.2Å; G428-S431 PolarHBondContact O-N 3.38Å; G428-Q432 WeakPolarHBondContact O-CB 3.32Å; G428-Q432 PolarHBondContact O-N 3.4Å
429	L	94.9	Very high	94.3	Very high	11 Å²	11	9 Å²	9	6%	0.058	5%	0.046	C	C	.	.	H	α-helix	trans	-62	-42.3	-175.3	-166.3	90.3	0	0	0	111.5	L171 V259 T278 L425 L426 Q432 F433	L171-L429 HydrophobicContact CD2-CB 4.45Å; L171-L429 HydrophobicContact CD2-CD1 4.49Å; V259-L429 HydrophobicContact CB-CD1 4.26Å; V259-L429 HydrophobicContact CG1-CD1 3.64Å; V259-L429 HydrophobicContact CG1-CD2 4.04Å; V259-L429 HydrophobicContact CG1-CG 4.46Å; T278-L429 HydrophobicContact CG2-CD2 4.22Å; L425-L429 WeakPolarHBondContact O-CB 3.45Å; L425-L429 PolarHBondContact O-N 2.7Å; L426-L429 PolarHBondContact O-N 3.23Å; L429-Q432 PolarHBondContact O-N 3.35Å; L429-F433 HydrophobicContact CD2-CD1 4.33Å; L429-F433 HydrophobicContact CD2-CE1 4.39Å; L429-F433 HydrophobicContact CG-CD1 4.17Å; L429-F433 WeakPolarHBondContact O-CD1 3.36Å; L429-F433 PolarHBondContact O-N 3.07Å
430	D	93.8	Very high	94.4	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-63.1	-48.6	-179	-74.6	-10	0	0	0	112.7	G85 T278 A279 L426 G428 Q432 F433 V434	G85-D430 VanDerWaalsContact C-CB 3.47Å; G85-D430 WeakPolarHBondContact O-CB 3.4Å; T278-D430 WeakPolarHBondContact CB-OD1 3.24Å; T278-D430 PolarHBondContact OG1-OD1 3.21Å; A279-D430 WeakPolarHBondContact CA-OD2 3.3Å; A279-D430 WeakPolarHBondContact CB-OD2 3.39Å; A279-D430 PolarHBondContact N-OD2 3.43Å; L426-D430 PolarHBondContact O-N 3.18Å; L426-D430 VanDerWaalsContact O-N 3.13Å; G428-D430 VanDerWaalsContact C-N 3.33Å; G428-D430 PolarHBondContact O-N 3.2Å; D430-Q432 PolarHBondContact O-N 2.89Å; D430-F433 VanDerWaalsContact CA-CE1 3.45Å; D430-F433 HydrophobicContact CB-CE1 4.21Å; D430-F433 HydrophobicContact CB-CZ 4.09Å; D430-F433 WeakPolarHBondContact OD1-CE1 3.39Å; D430-F433 WeakPolarHBondContact OD1-CZ 3.47Å; D430-V434 WeakPolarHBondContact O-CB 3.44Å; D430-V434 VanDerWaalsContact O-CG2 3.29Å; D430-V434 WeakPolarHBondContact O-CG2 3.38Å; D430-V434 PolarHBondContact O-N 2.72Å
431	S	94.3	Very high	94.5	Very high	7 Å²	7	7.5 Å²	7.5	5%	0.049	4%	0.039	C	C	.	.	H	α-helix	trans	-57.4	-49.9	173.2	-58.6	0	0	0	0	111.3	G85 G86 G428 F433 V434 E435	G85-S431 PolarHBondContact O-N 3Å; G86-S431 WeakPolarHBondContact O-CA 3.35Å; G86-S431 WeakPolarHBondContact O-CB 3.48Å; G86-S431 PolarHBondContact O-OG 3.07Å; G428-S431 PolarHBondContact O-N 3.38Å; S431-F433 PolarHBondContact O-N 2.9Å; S431-V434 PolarHBondContact O-N 3.26Å; S431-E435 WeakPolarHBondContact O-CG 3.48Å; S431-E435 PolarHBondContact O-N 3.12Å
432	Q	95.8	Very high	94.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.5	-49.8	-176.3	-177.5	71.2	31.2	0	0	112	N164 Y167 I168 L171 G428 L429 D430 V434 E435 V436	N164-Q432 PolarHBondContact O-NE2 3.25Å; Y167-Q432 HydrophobicContact CD1-CB 4.42Å; I168-Q432 HydrophobicContact CB-CG 4.37Å; I168-Q432 HydrophobicContact CD1-CG 4.03Å; I168-Q432 HydrophobicContact CG1-CG 4.09Å; L171-Q432 HydrophobicContact CD2-CB 4.31Å; G428-Q432 WeakPolarHBondContact O-CB 3.32Å; G428-Q432 PolarHBondContact O-N 3.4Å; L429-Q432 PolarHBondContact O-N 3.35Å; D430-Q432 PolarHBondContact O-N 2.89Å; Q432-V434 VanDerWaalsContact C-N 3.32Å; Q432-V434 PolarHBondContact O-N 3.12Å; Q432-E435 PolarHBondContact O-N 2.92Å; Q432-V436 HydrophobicContact CG-CG2 4.49Å; Q432-V436 VanDerWaalsContact O-CG2 3.24Å; Q432-V436 WeakPolarHBondContact O-CG2 3.48Å; Q432-V436 PolarHBondContact O-N 3.21Å
433	F	93.3	Very high	94.5	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.037	C	C	.	.	H	α-helix	trans	-72.4	-28	-176.3	71.8	-123.7	0	0	0	112.6	C263 I264 T271 V274 V275 L429 D430 S431 E437	C263-F433 HydrophobicContact CB-CB 4.2Å; C263-F433 HydrophobicContact CB-CD1 3.93Å; C263-F433 HydrophobicContact CB-CG 4.18Å; I264-F433 HydrophobicContact CG2-CB 3.64Å; I264-F433 HydrophobicContact CG2-CD2 4.49Å; I264-F433 HydrophobicContact CG2-CG 4.36Å; T271-F433 HydrophobicContact CG2-CD2 3.67Å; T271-F433 HydrophobicContact CG2-CE2 3.42Å; T271-F433 VanDerWaalsContact CG2-CE2 3.42Å; T271-F433 HydrophobicContact CG2-CZ 4.39Å; V274-F433 HydrophobicContact CG1-CE1 4.44Å; V275-F433 HydrophobicContact CG1-CE2 3.81Å; V275-F433 HydrophobicContact CG1-CZ 3.47Å; V275-F433 VanDerWaalsContact CG1-CZ 3.47Å; L429-F433 HydrophobicContact CD2-CD1 4.33Å; L429-F433 HydrophobicContact CD2-CE1 4.39Å; L429-F433 HydrophobicContact CG-CD1 4.17Å; L429-F433 WeakPolarHBondContact O-CD1 3.36Å; L429-F433 PolarHBondContact O-N 3.07Å; D430-F433 VanDerWaalsContact CA-CE1 3.45Å; D430-F433 HydrophobicContact CB-CE1 4.21Å; D430-F433 HydrophobicContact CB-CZ 4.09Å; D430-F433 WeakPolarHBondContact OD1-CE1 3.39Å; D430-F433 WeakPolarHBondContact OD1-CZ 3.47Å; S431-F433 PolarHBondContact O-N 2.9Å; F433-E437 WeakPolarHBondContact O-CB 3.27Å; F433-E437 PolarHBondContact O-N 3.31Å
434	V	94.3	Very high	94.5	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.006	4%	0.038	C	C	.	.	H	α-helix	trans	-67.3	-43.5	175.4	164	0	0	0	0	110.4	S82 A337 M338 L341 D430 S431 Q432 E437 G438	S82-V434 WeakPolarHBondContact O-CG2 3.34Å; A337-V434 HydrophobicContact CB-CG1 4.42Å; M338-V434 HydrophobicContact CE-CG1 4.3Å; L341-V434 HydrophobicContact CD1-CG1 3.68Å; L341-V434 HydrophobicContact CG-CG1 4.31Å; D430-V434 WeakPolarHBondContact O-CB 3.44Å; D430-V434 VanDerWaalsContact O-CG2 3.29Å; D430-V434 WeakPolarHBondContact O-CG2 3.38Å; D430-V434 PolarHBondContact O-N 2.72Å; S431-V434 PolarHBondContact O-N 3.26Å; Q432-V434 VanDerWaalsContact C-N 3.32Å; Q432-V434 PolarHBondContact O-N 3.12Å; V434-E437 PolarHBondContact O-N 2.81Å; V434-G438 PolarHBondContact O-N 2.94Å
435	E	95.3	Very high	94.4	Very high	11 Å²	11	7.5 Å²	7.5	5%	0.051	4%	0.039	C	C	.	.	H	α-helix	trans	-67.2	-43.6	178.4	-71.6	171.4	158.4	0	0	111.7	V160 L163 N164 S431 Q432 G438 Q439	V160-E435 HydrophobicContact CG2-CB 3.73Å; V160-E435 HydrophobicContact CG2-CG 4.22Å; L163-E435 VanDerWaalsContact CD2-CD 3.49Å; L163-E435 WeakPolarHBondContact CD2-OE2 3.29Å; N164-E435 VanDerWaalsContact OD1-CB 3.28Å; N164-E435 WeakPolarHBondContact OD1-CB 3.46Å; S431-E435 WeakPolarHBondContact O-CG 3.48Å; S431-E435 PolarHBondContact O-N 3.12Å; Q432-E435 PolarHBondContact O-N 2.92Å; E435-G438 PolarHBondContact O-N 3.02Å; E435-Q439 PolarHBondContact O-N 3.15Å
436	V	96.2	Very high	94.2	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.006	4%	0.042	C	C	.	.	H	α-helix	trans	-63.5	-44.4	173.7	179.5	0	0	0	0	110.9	N164 W257 I264 Q432 G438 Q439 I440	N164-V436 HydrophobicContact CB-CG2 4.32Å; W257-V436 HydrophobicContact CH2-CG2 4.28Å; W257-V436 HydrophobicContact CZ3-CG2 4.14Å; I264-V436 HydrophobicContact CD1-CB 4.08Å; I264-V436 HydrophobicContact CD1-CG1 3.37Å; Q432-V436 HydrophobicContact CG-CG2 4.49Å; Q432-V436 VanDerWaalsContact O-CG2 3.24Å; Q432-V436 WeakPolarHBondContact O-CG2 3.48Å; Q432-V436 PolarHBondContact O-N 3.21Å; V436-G438 VanDerWaalsContact C-N 3.31Å; V436-G438 PolarHBondContact O-N 3.06Å; V436-Q439 PolarHBondContact O-N 2.9Å; V436-I440 HydrophobicContact CG1-CG1 4.14Å; V436-I440 WeakPolarHBondContact O-CB 3.5Å; V436-I440 WeakPolarHBondContact O-CG1 3.32Å; V436-I440 PolarHBondContact O-N 3.39Å
437	E	94.9	Very high	94	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-58.4	-45.5	174.3	178.6	65.1	-157	0	0	110.3	I264 Y344 F433 V434 Q439 I440 T441 R457	I264-E437 HydrophobicContact CG2-CB 4.32Å; Y344-E437 PolarHBondContact OH-OE1 3.46Å; F433-E437 WeakPolarHBondContact O-CB 3.27Å; F433-E437 PolarHBondContact O-N 3.31Å; V434-E437 PolarHBondContact O-N 2.81Å; E437-Q439 VanDerWaalsContact C-N 3.34Å; E437-Q439 PolarHBondContact O-N 3.47Å; E437-I440 PolarHBondContact O-N 3.31Å; E437-T441 VanDerWaalsContact O-CB 3.27Å; E437-T441 WeakPolarHBondContact O-CB 3.39Å; E437-T441 PolarHBondContact O-N 3.31Å; E437-T441 PolarHBondContact O-OG1 3.33Å; E437-T441 PolarHBondContact OE1-OG1 3.18Å; E437-R457 IonicContact OE1-NH2 2.74Å; E437-R457 PolarHBondContact OE1-NH2 3.07Å; E437-R457 IonicContact OE2-CZ 2.64Å; E437-R457 IonicContact OE2-NH2 2.7Å; E437-R457 PolarHBondContact OE2-NH2 2.85Å
438	G	94.6	Very high	93.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-57.9	-42.5	177.3	0	0	0	0	0	114.1	S340 V434 E435 V436 S442	S340-G438 PolarHBondContact OG-O 3.41Å; S340-G438 VanDerWaalsContact OG-O 3.07Å; V434-G438 PolarHBondContact O-N 2.94Å; E435-G438 PolarHBondContact O-N 3.02Å; V436-G438 VanDerWaalsContact C-N 3.31Å; V436-G438 PolarHBondContact O-N 3.06Å; G438-S442 PolarHBondContact O-N 2.82Å; G438-S442 PolarHBondContact O-OG 2.97Å
439	Q	96.1	Very high	93.1	Very high	12 Å²	12	19.2 Å²	19.2	6%	0.056	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-50.9	174.6	-175.1	-174.2	-14.3	0	0	111.3	I157 V160 S161 N164 E435 V436 E437 T441 S442 L443	I157-Q439 HydrophobicContact CD1-CG 4.45Å; I157-Q439 HydrophobicContact CG2-CG 4.41Å; V160-Q439 HydrophobicContact CG1-CB 3.91Å; V160-Q439 HydrophobicContact CG1-CG 4.12Å; S161-Q439 PolarHBondContact OG-NE2 2.95Å; N164-Q439 PolarHBondContact ND2-OE1 3.44Å; E435-Q439 PolarHBondContact O-N 3.15Å; V436-Q439 PolarHBondContact O-N 2.9Å; E437-Q439 VanDerWaalsContact C-N 3.34Å; E437-Q439 PolarHBondContact O-N 3.47Å; Q439-T441 PolarHBondContact O-N 2.93Å; Q439-S442 PolarHBondContact O-N 3.46Å; Q439-L443 HydrophobicContact CG-CD1 4.06Å; Q439-L443 WeakPolarHBondContact O-CG 3.31Å; Q439-L443 PolarHBondContact O-N 3.43Å; Q439-L443 VanDerWaalsContact O-N 3.1Å
440	I	95.2	Very high	92.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-46.5	-178.7	-68	-68.1	0	0	0	110.5	V436 E437 S442 L443 V444 F460 I461 V464	V436-I440 HydrophobicContact CG1-CG1 4.14Å; V436-I440 WeakPolarHBondContact O-CB 3.5Å; V436-I440 WeakPolarHBondContact O-CG1 3.32Å; V436-I440 PolarHBondContact O-N 3.39Å; E437-I440 PolarHBondContact O-N 3.31Å; I440-S442 VanDerWaalsContact C-N 3.32Å; I440-S442 PolarHBondContact O-N 3.27Å; I440-L443 PolarHBondContact O-N 3.47Å; I440-V444 HydrophobicContact CG2-CG2 3.95Å; I440-V444 VanDerWaalsContact O-CB 3.31Å; I440-V444 WeakPolarHBondContact O-CB 3.26Å; I440-V444 WeakPolarHBondContact O-CG2 3.47Å; I440-V444 PolarHBondContact O-N 3.12Å; I440-F460 HydrophobicContact CD1-CD1 3.81Å; I440-F460 HydrophobicContact CD1-CE1 3.74Å; I440-F460 HydrophobicContact CG2-CD1 4.5Å; I440-I461 HydrophobicContact CB-CG1 4.44Å; I440-I461 HydrophobicContact CD1-CB 4.41Å; I440-I461 HydrophobicContact CD1-CG1 3.87Å; I440-I461 HydrophobicContact CG1-CG1 3.95Å; I440-I461 HydrophobicContact CG2-CD1 4.18Å; I440-I461 HydrophobicContact CG2-CG1 3.73Å; I440-V464 HydrophobicContact CD1-CB 3.96Å; I440-V464 HydrophobicContact CD1-CG1 4.18Å; I440-V464 HydrophobicContact CD1-CG2 3.83Å
441	T	94.3	Very high	92.6	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	13%	0.125	C	C	.	.	H	α-helix	trans	-54.2	-48.9	177	-66.4	0	0	0	0	111.6	Y344 E437 Q439 L443 V444 D445	Y344-T441 HydrophobicContact CE2-CG2 4.19Å; Y344-T441 PolarHBondContact OH-OG1 3.26Å; E437-T441 VanDerWaalsContact O-CB 3.27Å; E437-T441 WeakPolarHBondContact O-CB 3.39Å; E437-T441 PolarHBondContact O-N 3.31Å; E437-T441 PolarHBondContact O-OG1 3.33Å; E437-T441 PolarHBondContact OE1-OG1 3.18Å; Q439-T441 PolarHBondContact O-N 2.93Å; T441-L443 VanDerWaalsContact C-N 3.34Å; T441-L443 PolarHBondContact O-N 2.81Å; T441-V444 PolarHBondContact O-N 3.16Å; T441-D445 WeakPolarHBondContact O-CB 3.33Å; T441-D445 PolarHBondContact O-N 2.82Å
442	S	94.3	Very high	92.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-37.1	-178.4	-55.7	0	0	0	0	112.9	G138 I157 S340 G438 Q439 I440	G138-S442 PolarHBondContact N-OG 2.95Å; I157-S442 VanDerWaalsContact CD1-CB 3.43Å; S340-S442 PolarHBondContact OG-OG 2.78Å; G438-S442 PolarHBondContact O-N 2.82Å; G438-S442 PolarHBondContact O-OG 2.97Å; Q439-S442 PolarHBondContact O-N 3.46Å; I440-S442 VanDerWaalsContact C-N 3.32Å; I440-S442 PolarHBondContact O-N 3.27Å
443	L	94.7	Very high	91.6	Very high	40 Å²	40	32 Å²	32	21%	0.209	15%	0.153	C	C	.	.	H	α-helix	trans	-75.9	-37.9	177.9	-67.1	172.6	0	0	0	112.3	I139 I157 Q439 I440 T441 D445 L446 F460	I139-L443 HydrophobicContact CD1-CD2 4.41Å; I157-L443 HydrophobicContact CG2-CD2 4.33Å; Q439-L443 HydrophobicContact CG-CD1 4.06Å; Q439-L443 WeakPolarHBondContact O-CG 3.31Å; Q439-L443 PolarHBondContact O-N 3.43Å; Q439-L443 VanDerWaalsContact O-N 3.1Å; I440-L443 PolarHBondContact O-N 3.47Å; T441-L443 VanDerWaalsContact C-N 3.34Å; T441-L443 PolarHBondContact O-N 2.81Å; L443-D445 VanDerWaalsContact C-N 3.28Å; L443-D445 PolarHBondContact O-N 3.34Å; L443-L446 HydrophobicContact CD2-CD1 4.42Å; L443-L446 PolarHBondContact O-N 3.32Å; L443-F460 HydrophobicContact CB-CE1 3.87Å; L443-F460 HydrophobicContact CB-CZ 3.91Å; L443-F460 HydrophobicContact CD1-CE1 4.18Å; L443-F460 HydrophobicContact CD1-CZ 3.87Å
444	V	92.6	Very high	91.2	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-35.5	175.9	168.9	0	0	0	0	111.1	I440 T441 L446 Y447 P448 L451 R452 R457 F460	I440-V444 HydrophobicContact CG2-CG2 3.95Å; I440-V444 VanDerWaalsContact O-CB 3.31Å; I440-V444 WeakPolarHBondContact O-CB 3.26Å; I440-V444 WeakPolarHBondContact O-CG2 3.47Å; I440-V444 PolarHBondContact O-N 3.12Å; T441-V444 PolarHBondContact O-N 3.16Å; V444-L446 VanDerWaalsContact C-N 3.28Å; V444-L446 PolarHBondContact O-N 2.96Å; V444-Y447 CarbonylContact O-C 3.54Å; V444-Y447 VanDerWaalsContact O-C 3.28Å; V444-Y447 PolarHBondContact O-N 2.85Å; V444-P448 WeakPolarHBondContact O-CA 3.29Å; V444-L451 HydrophobicContact CB-CB 4.44Å; V444-L451 HydrophobicContact CG1-CB 4.09Å; V444-L451 HydrophobicContact CG2-CB 4.17Å; V444-L451 HydrophobicContact CG2-CD1 4.21Å; V444-R452 HydrophobicContact CG1-CG 3.59Å; V444-R457 HydrophobicContact CG2-CG 4.44Å; V444-F460 HydrophobicContact CG2-CD1 4.2Å; V444-F460 HydrophobicContact CG2-CE1 4.46Å
445	D	90.7	Very high	90.9	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.053	20%	0.197	C	C	.	.	H	α-helix	trans	-71	-19.3	179.7	-71.3	-6.1	0	0	0	113.7	R70 G137 T140 T441 L443 P448 R452	R70-D445 IonicContact CZ-OD2 3.97Å; R70-D445 VanDerWaalsContact CZ-OD2 3.23Å; R70-D445 IonicContact NH1-OD1 3.87Å; R70-D445 IonicContact NH1-OD2 2.78Å; R70-D445 PolarHBondContact NH1-OD2 3.04Å; R70-D445 IonicContact NH2-OD2 3.03Å; R70-D445 PolarHBondContact NH2-OD2 3.37Å; G137-D445 WeakPolarHBondContact CA-OD2 3.21Å; G137-D445 PolarHBondContact N-OD2 3.03Å; T140-D445 HydrophobicContact CG2-CB 4.22Å; T441-D445 WeakPolarHBondContact O-CB 3.33Å; T441-D445 PolarHBondContact O-N 2.82Å; L443-D445 VanDerWaalsContact C-N 3.28Å; L443-D445 PolarHBondContact O-N 3.34Å; D445-P448 WeakPolarHBondContact O-CD 3.25Å; D445-R452 IonicContact OD1-CZ 2.71Å; D445-R452 IonicContact OD1-NE 3.98Å; D445-R452 IonicContact OD1-NH2 3.03Å; D445-R452 PolarHBondContact OD1-NH2 3.35Å
446	L	90.9	Very high	90.8	Very high	43 Å²	43	45 Å²	45	23%	0.225	21%	0.213	C	C	.	.	H	α-helix	trans	-70	-33.5	170.8	-71.4	173.1	0	0	0	112.6	I139 T140 L443 V444 P448	I139-L446 HydrophobicContact CB-CD2 4.4Å; I139-L446 HydrophobicContact CD1-CD1 3.82Å; I139-L446 HydrophobicContact CD1-CG 4.44Å; I139-L446 HydrophobicContact CG2-CD2 3.89Å; T140-L446 HydrophobicContact CG2-CD2 3.89Å; T140-L446 HydrophobicContact CG2-CG 4.46Å; L443-L446 HydrophobicContact CD2-CD1 4.42Å; L443-L446 PolarHBondContact O-N 3.32Å; V444-L446 VanDerWaalsContact C-N 3.28Å; V444-L446 PolarHBondContact O-N 2.96Å; L446-P448 VanDerWaalsContact C-CD 3.5Å
447	Y	89.8	Confident	90.5	Very high	155 Å²	155	46.6 Å²	46.6	61%	0.608	22%	0.219	S	C	*	.	S	Bend	trans	-133.6	58.7	-177	-58.3	-76.8	0	0	0	112.2	V444 S449 F450 L451	V444-Y447 CarbonylContact O-C 3.54Å; V444-Y447 VanDerWaalsContact O-C 3.28Å; V444-Y447 PolarHBondContact O-N 2.85Å; Y447-S449 VanDerWaalsContact C-N 3.3Å; Y447-S449 PolarHBondContact O-N 3.47Å; Y447-F450 PolarHBondContact O-N 3.37Å; Y447-F450 VanDerWaalsContact O-N 3.09Å; Y447-L451 PolarHBondContact O-N 3.4Å
448	P	85.6	Confident	90.5	Very high	33 Å²	33	48.7 Å²	48.7	21%	0.214	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-32.7	-169.4	26.8	-34.4	0	0	0	112.2	V444 D445 L446 F450 R452	V444-P448 WeakPolarHBondContact O-CA 3.29Å; D445-P448 WeakPolarHBondContact O-CD 3.25Å; L446-P448 VanDerWaalsContact C-CD 3.5Å; P448-F450 PolarHBondContact O-N 2.93Å; P448-R452 HydrophobicContact CB-CG 4.37Å; P448-R452 WeakPolarHBondContact O-CB 3.37Å; P448-R452 PolarHBondContact O-N 3.36Å
449	S	84	Confident	90.5	Very high	70 Å²	70	54 Å²	54	49%	0.49	26%	0.257	S	S	.	.	H	α-helix	trans	-65.9	-22.4	177.7	60.6	0	0	0	0	113.4	Y447 K453	Y447-S449 VanDerWaalsContact C-N 3.3Å; Y447-S449 PolarHBondContact O-N 3.47Å; S449-K453 WeakPolarHBondContact O-CD 3.06Å; S449-K453 WeakPolarHBondContact O-CE 3.3Å; S449-K453 PolarHBondContact O-NZ 2.84Å
450	F	88.2	Confident	90.4	Very high	120 Å²	120	55.6 Å²	55.6	53%	0.526	26%	0.263	S	S	.	.	H	α-helix	trans	-100	-49.4	178.7	-177.3	-102.7	0	0	0	111.9	Y447 P448 R456	Y447-F450 PolarHBondContact O-N 3.37Å; Y447-F450 VanDerWaalsContact O-N 3.09Å; P448-F450 PolarHBondContact O-N 2.93Å; F450-R456 VanDerWaalsContact CE2-NH1 3.31Å; F450-R456 WeakPolarHBondContact O-CD 3.3Å; F450-R456 PolarHBondContact O-NH1 3.37Å; F450-R456 VanDerWaalsContact O-NH1 3.14Å
451	L	90.1	Very high	90.5	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-84.9	-25.5	-168.7	-69.5	172.9	0	0	0	114.5	V444 Y447 K453 R457 F460	V444-L451 HydrophobicContact CB-CB 4.44Å; V444-L451 HydrophobicContact CG1-CB 4.09Å; V444-L451 HydrophobicContact CG2-CB 4.17Å; V444-L451 HydrophobicContact CG2-CD1 4.21Å; Y447-L451 PolarHBondContact O-N 3.4Å; L451-K453 VanDerWaalsContact C-N 3.27Å; L451-K453 PolarHBondContact O-N 3.15Å; L451-R457 PolarHBondContact O-N 3.4Å; L451-R457 VanDerWaalsContact O-N 3.14Å; L451-F460 HydrophobicContact CD2-CB 4.19Å; L451-F460 HydrophobicContact CD2-CD2 4.32Å; L451-F460 HydrophobicContact CD2-CG 4.19Å
452	R	85.2	Confident	90.6	Very high	41 Å²	41	57.1 Å²	57.1	16%	0.155	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	1.1	178.5	-60.3	-176.2	-176.2	164.8	2.8	114.2	S54 P68 V444 D445 P448	S54-R452 PolarHBondContact OG-O 3.23Å; P68-R452 HydrophobicContact CB-CB 4.09Å; P68-R452 HydrophobicContact CG-CB 3.93Å; P68-R452 PolarHBondContact O-NH1 2.89Å; V444-R452 HydrophobicContact CG1-CG 3.59Å; D445-R452 IonicContact OD1-CZ 2.71Å; D445-R452 IonicContact OD1-NE 3.98Å; D445-R452 IonicContact OD1-NH2 3.03Å; D445-R452 PolarHBondContact OD1-NH2 3.35Å; P448-R452 HydrophobicContact CB-CG 4.37Å; P448-R452 WeakPolarHBondContact O-CB 3.37Å; P448-R452 PolarHBondContact O-N 3.36Å
453	K	84.4	Confident	90.7	Very high	109 Å²	109	63 Å²	63	47%	0.474	30%	0.302	S	S	.	.	S	Bend	trans	-94	128.7	-175.8	-70	-172.8	178.3	170	0	111.9	P68 S449 L451 R456	P68-K453 HydrophobicContact CG-CG 4.49Å; S449-K453 WeakPolarHBondContact O-CD 3.06Å; S449-K453 WeakPolarHBondContact O-CE 3.3Å; S449-K453 PolarHBondContact O-NZ 2.84Å; L451-K453 VanDerWaalsContact C-N 3.27Å; L451-K453 PolarHBondContact O-N 3.15Å; K453-R456 WeakPolarHBondContact O-CB 3.4Å; K453-R456 WeakPolarHBondContact O-CD 2.88Å; K453-R456 VanDerWaalsContact O-CG 3.25Å; K453-R456 WeakPolarHBondContact O-CG 3.35Å; K453-R456 PolarHBondContact O-N 3.07Å
454	G	84.4	Confident	90.8	Very high	35 Å²	35	61.8 Å²	61.8	36%	0.361	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-138	178.4	0	0	0	0	0	111.7	R456	G454-R456 VanDerWaalsContact C-N 3.3Å; G454-R456 PolarHBondContact O-N 3.4Å
455	Y	88.2	Confident	91	Very high	144 Å²	144	61.9 Å²	61.9	57%	0.565	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	15.7	-179.6	-59.9	-73.1	0	0	0	114.5	G52 R457 E458 I459	G52-Y455 WeakPolarHBondContact CA-OH 3.38Å; Y455-R457 VanDerWaalsContact C-N 3.34Å; Y455-R457 PolarHBondContact O-N 3.25Å; Y455-E458 WeakPolarHBondContact CA-OE2 3.38Å; Y455-E458 PolarHBondContact O-N 3.17Å; Y455-I459 VanDerWaalsContact O-CG1 3.29Å; Y455-I459 WeakPolarHBondContact O-CG1 3.13Å; Y455-I459 PolarHBondContact O-N 3.16Å
456	R	91.6	Very high	91.3	Very high	107 Å²	107	64.5 Å²	64.5	40%	0.404	32%	0.316	S	S	.	.	H	α-helix	trans	-70.4	-30.5	-173	-68.9	175.5	180	-178	-1.1	112.7	F450 K453 G454 F460	F450-R456 VanDerWaalsContact CE2-NH1 3.31Å; F450-R456 WeakPolarHBondContact O-CD 3.3Å; F450-R456 PolarHBondContact O-NH1 3.37Å; F450-R456 VanDerWaalsContact O-NH1 3.14Å; K453-R456 WeakPolarHBondContact O-CB 3.4Å; K453-R456 WeakPolarHBondContact O-CD 2.88Å; K453-R456 VanDerWaalsContact O-CG 3.25Å; K453-R456 WeakPolarHBondContact O-CG 3.35Å; K453-R456 PolarHBondContact O-N 3.07Å; G454-R456 VanDerWaalsContact C-N 3.3Å; G454-R456 PolarHBondContact O-N 3.4Å; R456-F460 VanDerWaalsContact O-CB 3.24Å; R456-F460 WeakPolarHBondContact O-CB 3.37Å; R456-F460 PolarHBondContact O-N 3.01Å
457	R	91.1	Very high	91.6	Very high	34 Å²	34	65.9 Å²	65.9	13%	0.128	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-46.8	174.2	-178.1	-177.3	-179	-80.9	-4.9	109.9	I264 W265 G267 E437 V444 L451 Y455 F460 I461	I264-R457 PolarHBondContact O-NH1 3.47Å; W265-R457 PolarHBondContact O-NH1 3.49Å; W265-R457 VanDerWaalsContact O-NH1 3.16Å; G267-R457 VanDerWaalsContact N-NH1 3.11Å; E437-R457 IonicContact OE1-NH2 2.74Å; E437-R457 PolarHBondContact OE1-NH2 3.07Å; E437-R457 IonicContact OE2-CZ 2.64Å; E437-R457 IonicContact OE2-NH2 2.7Å; E437-R457 PolarHBondContact OE2-NH2 2.85Å; V444-R457 HydrophobicContact CG2-CG 4.44Å; L451-R457 PolarHBondContact O-N 3.4Å; L451-R457 VanDerWaalsContact O-N 3.14Å; Y455-R457 VanDerWaalsContact C-N 3.34Å; Y455-R457 PolarHBondContact O-N 3.25Å; R457-F460 WeakPolarHBondContact O-CB 3.03Å; R457-F460 PolarHBondContact O-N 3.32Å; R457-I461 HydrophobicContact CG-CD1 4.07Å; R457-I461 VanDerWaalsContact O-CG1 3.25Å; R457-I461 WeakPolarHBondContact O-CG1 3.31Å; R457-I461 PolarHBondContact O-N 3Å
458	E	93.6	Very high	92	Very high	45 Å²	45	58.9 Å²	58.9	21%	0.21	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-44.3	-180	-62.7	89.9	149.3	0	0	111.4	W265 Y455 F460 I461 A462	W265-E458 WeakPolarHBondContact O-CG 3.22Å; Y455-E458 WeakPolarHBondContact CA-OE2 3.38Å; Y455-E458 PolarHBondContact O-N 3.17Å; E458-F460 VanDerWaalsContact C-N 3.31Å; E458-F460 PolarHBondContact O-N 3.26Å; E458-I461 PolarHBondContact O-N 2.52Å; E458-A462 PolarHBondContact O-N 3.15Å
459	I	94.8	Very high	92.6	Very high	113 Å²	113	59.5 Å²	59.5	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-61.7	-41.8	174.2	-66.6	165.1	0	0	0	110.6	Y455 A462 F463	Y455-I459 VanDerWaalsContact O-CG1 3.29Å; Y455-I459 WeakPolarHBondContact O-CG1 3.13Å; Y455-I459 PolarHBondContact O-N 3.16Å; I459-A462 PolarHBondContact O-N 2.99Å; I459-F463 WeakPolarHBondContact O-CB 3.34Å; I459-F463 PolarHBondContact O-N 3.05Å
460	F	95.7	Very high	93.2	Very high	44 Å²	44	61.5 Å²	61.5	19%	0.193	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-41.6	177.8	-178.4	-111	0	0	0	112.2	I440 L443 V444 L451 R456 R457 E458 F463 V464	I440-F460 HydrophobicContact CD1-CD1 3.81Å; I440-F460 HydrophobicContact CD1-CE1 3.74Å; I440-F460 HydrophobicContact CG2-CD1 4.5Å; L443-F460 HydrophobicContact CB-CE1 3.87Å; L443-F460 HydrophobicContact CB-CZ 3.91Å; L443-F460 HydrophobicContact CD1-CE1 4.18Å; L443-F460 HydrophobicContact CD1-CZ 3.87Å; V444-F460 HydrophobicContact CG2-CD1 4.2Å; V444-F460 HydrophobicContact CG2-CE1 4.46Å; L451-F460 HydrophobicContact CD2-CB 4.19Å; L451-F460 HydrophobicContact CD2-CD2 4.32Å; L451-F460 HydrophobicContact CD2-CG 4.19Å; R456-F460 VanDerWaalsContact O-CB 3.24Å; R456-F460 WeakPolarHBondContact O-CB 3.37Å; R456-F460 PolarHBondContact O-N 3.01Å; R457-F460 WeakPolarHBondContact O-CB 3.03Å; R457-F460 PolarHBondContact O-N 3.32Å; E458-F460 VanDerWaalsContact C-N 3.31Å; E458-F460 PolarHBondContact O-N 3.26Å; F460-F463 WeakPolarHBondContact O-CB 2.92Å; F460-F463 PolarHBondContact O-N 3.19Å; F460-V464 HydrophobicContact CE1-CG2 4.11Å; F460-V464 HydrophobicContact CE2-CG2 4.15Å; F460-V464 HydrophobicContact CZ-CG2 3.92Å; F460-V464 WeakPolarHBondContact O-CG2 3.45Å; F460-V464 PolarHBondContact O-N 3.49Å
461	I	95.6	Very high	93.7	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-48.7	173.5	-64.4	163.8	0	0	0	110.3	F261 I264 I440 R457 E458 F463 V464 C465	F261-I461 HydrophobicContact CD2-CB 4.37Å; F261-I461 HydrophobicContact CD2-CG2 3.73Å; F261-I461 HydrophobicContact CE2-CB 4.28Å; F261-I461 HydrophobicContact CE2-CG2 4.13Å; I264-I461 HydrophobicContact CD1-CG2 3.52Å; I264-I461 HydrophobicContact CG1-CD1 4.41Å; I264-I461 HydrophobicContact CG1-CG2 3.83Å; I440-I461 HydrophobicContact CB-CG1 4.44Å; I440-I461 HydrophobicContact CD1-CB 4.41Å; I440-I461 HydrophobicContact CD1-CG1 3.87Å; I440-I461 HydrophobicContact CG1-CG1 3.95Å; I440-I461 HydrophobicContact CG2-CD1 4.18Å; I440-I461 HydrophobicContact CG2-CG1 3.73Å; R457-I461 HydrophobicContact CG-CD1 4.07Å; R457-I461 VanDerWaalsContact O-CG1 3.25Å; R457-I461 WeakPolarHBondContact O-CG1 3.31Å; R457-I461 PolarHBondContact O-N 3Å; E458-I461 PolarHBondContact O-N 2.52Å; I461-F463 PolarHBondContact O-N 3.19Å; I461-V464 PolarHBondContact O-N 3.38Å; I461-V464 VanDerWaalsContact O-N 3.16Å; I461-C465 WeakPolarHBondContact O-CB 3.23Å; I461-C465 PolarHBondContact O-N 3.39Å; I461-C465 PolarHBondContact O-SG 3Å
462	A	96.5	Very high	94	Very high	35 Å²	35	59.2 Å²	59.2	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-57.3	-40.3	178.7	0	0	0	0	0	111.5	F261 E458 I459 S466	F261-A462 HydrophobicContact CD2-CB 4.25Å; F261-A462 HydrophobicContact CE2-CB 3.73Å; F261-A462 HydrophobicContact CZ-CB 4.4Å; E458-A462 PolarHBondContact O-N 3.15Å; I459-A462 PolarHBondContact O-N 2.99Å; A462-S466 VanDerWaalsContact O-CB 3.27Å; A462-S466 WeakPolarHBondContact O-CB 3.47Å; A462-S466 PolarHBondContact O-N 3.36Å; A462-S466 PolarHBondContact O-OG 3.31Å
463	F	96.6	Very high	94.6	Very high	123 Å²	123	59 Å²	59	54%	0.539	29%	0.294	S	S	.	.	H	α-helix	trans	-63.6	-47.9	175.5	177.1	-103.7	0	0	0	112.6	I459 F460 I461 S466 I467	I459-F463 WeakPolarHBondContact O-CB 3.34Å; I459-F463 PolarHBondContact O-N 3.05Å; F460-F463 WeakPolarHBondContact O-CB 2.92Å; F460-F463 PolarHBondContact O-N 3.19Å; I461-F463 PolarHBondContact O-N 3.19Å; F463-S466 PolarHBondContact O-N 3Å; F463-I467 HydrophobicContact CD1-CD1 3.97Å; F463-I467 HydrophobicContact CD2-CD1 4.38Å; F463-I467 HydrophobicContact CE1-CD1 3.36Å; F463-I467 HydrophobicContact CE2-CD1 3.83Å; F463-I467 HydrophobicContact CE2-CG1 4.41Å; F463-I467 HydrophobicContact CG-CD1 4.46Å; F463-I467 HydrophobicContact CZ-CD1 3.3Å; F463-I467 HydrophobicContact CZ-CG1 4.33Å; F463-I467 PolarHBondContact O-N 3.32Å
464	V	96.3	Very high	95.2	Very high	15 Å²	15	57 Å²	57	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-63	-44.6	177.8	172	0	0	0	0	111.4	I440 F460 I461 S466 I467 S468	I440-V464 HydrophobicContact CD1-CB 3.96Å; I440-V464 HydrophobicContact CD1-CG1 4.18Å; I440-V464 HydrophobicContact CD1-CG2 3.83Å; F460-V464 HydrophobicContact CE1-CG2 4.11Å; F460-V464 HydrophobicContact CE2-CG2 4.15Å; F460-V464 HydrophobicContact CZ-CG2 3.92Å; F460-V464 WeakPolarHBondContact O-CG2 3.45Å; F460-V464 PolarHBondContact O-N 3.49Å; I461-V464 PolarHBondContact O-N 3.38Å; I461-V464 VanDerWaalsContact O-N 3.16Å; V464-S466 VanDerWaalsContact C-N 3.31Å; V464-S466 PolarHBondContact O-N 3.34Å; V464-I467 PolarHBondContact O-N 3.47Å; V464-S468 WeakPolarHBondContact O-CB 3.23Å; V464-S468 PolarHBondContact O-N 2.9Å; V464-S468 PolarHBondContact O-OG 3.25Å
465	C	97.4	Very high	95.7	Very high	7 Å²	7	55.5 Å²	55.5	5%	0.047	28%	0.275	C	S	.	.	H	α-helix	trans	-61.3	-39.9	174.5	-66	0	0	0	0	111.7	W257 I461 S468 Y469	W257-C465 HydrophobicContact CD2-CB 4.32Å; W257-C465 HydrophobicContact CE3-CB 3.55Å; W257-C465 VanDerWaalsContact CE3-SG 3.59Å; W257-C465 HydrophobicContact CZ3-CB 3.93Å; I461-C465 WeakPolarHBondContact O-CB 3.23Å; I461-C465 PolarHBondContact O-N 3.39Å; I461-C465 PolarHBondContact O-SG 3Å; C465-S468 PolarHBondContact O-N 2.83Å; C465-Y469 WeakPolarHBondContact O-CB 3.46Å; C465-Y469 PolarHBondContact O-N 3.28Å
466	S	97.7	Very high	96.1	Very high	65 Å²	65	48.7 Å²	48.7	46%	0.455	25%	0.248	S	C	.	.	H	α-helix	trans	-66.7	-43.6	179.4	-60.8	0	0	0	0	112.1	A462 F463 V464 S468 Y469 L470	A462-S466 VanDerWaalsContact O-CB 3.27Å; A462-S466 WeakPolarHBondContact O-CB 3.47Å; A462-S466 PolarHBondContact O-N 3.36Å; A462-S466 PolarHBondContact O-OG 3.31Å; F463-S466 PolarHBondContact O-N 3Å; V464-S466 VanDerWaalsContact C-N 3.31Å; V464-S466 PolarHBondContact O-N 3.34Å; S466-S468 VanDerWaalsContact C-N 3.33Å; S466-Y469 PolarHBondContact O-N 3.38Å; S466-L470 VanDerWaalsContact O-CG 3.31Å; S466-L470 WeakPolarHBondContact O-CG 3.42Å; S466-L470 PolarHBondContact O-N 3.07Å
467	I	97.5	Very high	96.4	Very high	72 Å²	72	44.8 Å²	44.8	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-45.6	173.8	-71.7	174.8	0	0	0	110.3	F463 V464 Y469 L470 L471	F463-I467 HydrophobicContact CD1-CD1 3.97Å; F463-I467 HydrophobicContact CD2-CD1 4.38Å; F463-I467 HydrophobicContact CE1-CD1 3.36Å; F463-I467 HydrophobicContact CE2-CD1 3.83Å; F463-I467 HydrophobicContact CE2-CG1 4.41Å; F463-I467 HydrophobicContact CG-CD1 4.46Å; F463-I467 HydrophobicContact CZ-CD1 3.3Å; F463-I467 HydrophobicContact CZ-CG1 4.33Å; F463-I467 PolarHBondContact O-N 3.32Å; V464-I467 PolarHBondContact O-N 3.47Å; I467-Y469 VanDerWaalsContact C-N 3.31Å; I467-Y469 PolarHBondContact O-N 2.94Å; I467-L470 PolarHBondContact O-N 3.12Å; I467-L471 HydrophobicContact CG2-CD1 4.05Å; I467-L471 HydrophobicContact CG2-CG 4.42Å; I467-L471 WeakPolarHBondContact O-CG 3.29Å; I467-L471 PolarHBondContact O-N 3.22Å
468	S	96.9	Very high	96.7	Very high	8 Å²	8	45.8 Å²	45.8	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-36.6	-178.3	-54.1	0	0	0	0	111.8	V464 C465 S466 G472	V464-S468 WeakPolarHBondContact O-CB 3.23Å; V464-S468 PolarHBondContact O-N 2.9Å; V464-S468 PolarHBondContact O-OG 3.25Å; C465-S468 PolarHBondContact O-N 2.83Å; S466-S468 VanDerWaalsContact C-N 3.33Å; S468-G472 PolarHBondContact O-N 3.42Å
469	Y	98	Very high	96.7	Very high	45 Å²	45	43.7 Å²	43.7	18%	0.176	23%	0.233	C	C	.	.	H	α-helix	trans	-60.2	-49.8	170	170	-103.4	0	0	0	111.9	L253 L254 W257 C465 S466 I467 L471 G472 L473	L253-Y469 HydrophobicContact CB-CE2 4.32Å; L253-Y469 HydrophobicContact CD2-CD2 3.86Å; L253-Y469 HydrophobicContact CD2-CE2 4.04Å; L253-Y469 HydrophobicContact CG-CD2 3.89Å; L253-Y469 HydrophobicContact CG-CE2 4.13Å; L254-Y469 HydrophobicContact CB-CD2 4.37Å; L254-Y469 HydrophobicContact CB-CE2 3.67Å; L254-Y469 HydrophobicContact CD1-CD2 4.39Å; L254-Y469 HydrophobicContact CD1-CE1 4.46Å; L254-Y469 HydrophobicContact CD1-CE2 4.17Å; W257-Y469 AromaticContact CD1-CD2 3.93Å; C465-Y469 WeakPolarHBondContact O-CB 3.46Å; C465-Y469 PolarHBondContact O-N 3.28Å; S466-Y469 PolarHBondContact O-N 3.38Å; I467-Y469 VanDerWaalsContact C-N 3.31Å; I467-Y469 PolarHBondContact O-N 2.94Å; Y469-L471 VanDerWaalsContact C-N 3.32Å; Y469-L471 PolarHBondContact O-N 3.28Å; Y469-G472 WeakPolarHBondContact O-CA 3.43Å; Y469-G472 PolarHBondContact O-N 2.87Å; Y469-G472 VanDerWaalsContact O-N 3.09Å; Y469-L473 HydrophobicContact CE1-CD1 4.06Å; Y469-L473 HydrophobicContact CE1-CD2 4.36Å; Y469-L473 HydrophobicContact CE1-CG 4.32Å; Y469-L473 HydrophobicContact CE2-CD2 4.02Å; Y469-L473 WeakPolarHBondContact O-CG 3.46Å; Y469-L473 PolarHBondContact O-N 3.25Å
470	L	98.1	Very high	96.8	Very high	112 Å²	112	38.3 Å²	38.3	59%	0.586	21%	0.206	S	C	*	.	H	α-helix	trans	-61.3	-39.5	-180	-69.7	173.2	0	0	0	112.3	S466 I467 L473	S466-L470 VanDerWaalsContact O-CG 3.31Å; S466-L470 WeakPolarHBondContact O-CG 3.42Å; S466-L470 PolarHBondContact O-N 3.07Å; I467-L470 PolarHBondContact O-N 3.12Å; L470-L473 HydrophobicContact CD2-CD1 4.23Å
471	L	97.1	Very high	96.7	Very high	90 Å²	90	36.6 Å²	36.6	47%	0.471	20%	0.198	S	C	.	.	H	α-helix	trans	-67.6	-41.6	172.9	-66.6	175.4	0	0	0	111.4	V165 I467 Y469 L473 T474	V165-L471 HydrophobicContact CG1-CB 3.74Å; V165-L471 HydrophobicContact CG2-CB 4.26Å; V165-L471 HydrophobicContact CG2-CD1 4.13Å; I467-L471 HydrophobicContact CG2-CD1 4.05Å; I467-L471 HydrophobicContact CG2-CG 4.42Å; I467-L471 WeakPolarHBondContact O-CG 3.29Å; I467-L471 PolarHBondContact O-N 3.22Å; Y469-L471 VanDerWaalsContact C-N 3.32Å; Y469-L471 PolarHBondContact O-N 3.28Å; L471-L473 PolarHBondContact O-N 3.44Å; L471-T474 WeakPolarHBondContact O-CB 3.22Å; L471-T474 WeakPolarHBondContact O-CG2 3.46Å; L471-T474 PolarHBondContact O-N 2.86Å; L471-T474 VanDerWaalsContact O-N 3.11Å; L471-T474 PolarHBondContact O-OG1 2.87Å
472	G	97.1	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-27.3	177.6	0	0	0	0	0	113.8	S468 Y469 T474 M475	S468-G472 PolarHBondContact O-N 3.42Å; Y469-G472 WeakPolarHBondContact O-CA 3.43Å; Y469-G472 PolarHBondContact O-N 2.87Å; Y469-G472 VanDerWaalsContact O-N 3.09Å; G472-T474 PolarHBondContact O-N 2.81Å; G472-T474 VanDerWaalsContact O-N 3.14Å; G472-M475 PolarHBondContact O-N 3.17Å
473	L	97.9	Very high	96.6	Very high	35 Å²	35	36.9 Å²	36.9	18%	0.183	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.1	-28.8	174	-69	177.8	0	0	0	112.8	L245 A250 L253 Y469 L470 L471 M475 V476	L245-L473 HydrophobicContact CD1-CB 4.34Å; L245-L473 HydrophobicContact CD1-CD2 4.17Å; L245-L473 HydrophobicContact CD2-CD2 4.41Å; A250-L473 HydrophobicContact CB-CD2 3.8Å; L253-L473 HydrophobicContact CD2-CD2 4.39Å; Y469-L473 HydrophobicContact CE1-CD1 4.06Å; Y469-L473 HydrophobicContact CE1-CD2 4.36Å; Y469-L473 HydrophobicContact CE1-CG 4.32Å; Y469-L473 HydrophobicContact CE2-CD2 4.02Å; Y469-L473 WeakPolarHBondContact O-CG 3.46Å; Y469-L473 PolarHBondContact O-N 3.25Å; L470-L473 HydrophobicContact CD2-CD1 4.23Å; L471-L473 PolarHBondContact O-N 3.44Å; L473-M475 PolarHBondContact O-N 2.73Å; L473-V476 PolarHBondContact O-N 3.2Å; L473-V476 VanDerWaalsContact O-N 3.13Å
474	T	96.4	Very high	96.6	Very high	68 Å²	68	31.1 Å²	31.1	42%	0.417	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-64.4	-23.7	175.9	66	0	0	0	0	113.3	L471 G472 T477	L471-T474 WeakPolarHBondContact O-CB 3.22Å; L471-T474 WeakPolarHBondContact O-CG2 3.46Å; L471-T474 PolarHBondContact O-N 2.86Å; L471-T474 VanDerWaalsContact O-N 3.11Å; L471-T474 PolarHBondContact O-OG1 2.87Å; G472-T474 PolarHBondContact O-N 2.81Å; G472-T474 VanDerWaalsContact O-N 3.14Å; T474-T477 PolarHBondContact O-OG1 3.25Å
475	M	96.4	Very high	96.4	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-95.7	-1.4	178.3	-59.1	176.3	-157.5	0	0	112.7	V165 Y166 V169 G472 L473 G480 V483 F484 F487	V165-M475 HydrophobicContact CG1-CE 3.78Å; Y166-M475 VanDerWaalsContact CB-SD 3.54Å; V169-M475 HydrophobicContact CG1-CB 4.32Å; V169-M475 HydrophobicContact CG2-CB 3.96Å; V169-M475 HydrophobicContact CG2-SD 4.01Å; G472-M475 PolarHBondContact O-N 3.17Å; L473-M475 PolarHBondContact O-N 2.73Å; M475-G480 CarbonylContact O-C 3.12Å; M475-G480 WeakPolarHBondContact O-CA 3.29Å; M475-V483 HydrophobicContact CE-CG1 4.41Å; M475-V483 HydrophobicContact CG-CB 4.21Å; M475-V483 HydrophobicContact CG-CG1 3.9Å; M475-F484 HydrophobicContact CB-CB 4.37Å; M475-F484 HydrophobicContact CG-CB 4.37Å; M475-F484 HydrophobicContact SD-CB 4.34Å; M475-F484 HydrophobicContact SD-CD2 4.39Å; M475-F487 HydrophobicContact CE-CB 4.17Å; M475-F487 HydrophobicContact CE-CD1 3.63Å; M475-F487 HydrophobicContact CE-CD2 3.5Å; M475-F487 HydrophobicContact CE-CE1 3.78Å; M475-F487 HydrophobicContact CE-CE2 3.66Å; M475-F487 HydrophobicContact CE-CG 3.49Å; M475-F487 VanDerWaalsContact CE-CG 3.49Å; M475-F487 HydrophobicContact CE-CZ 3.79Å
476	V	97.1	Very high	96.1	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.172	C	C	.	.	S	Bend	trans	-111.9	17.6	-179.5	-177.6	0	0	0	0	111.4	V169 L245 K246 L249 A250 L253 L473	V169-V476 HydrophobicContact CG1-CG2 4.17Å; L245-V476 HydrophobicContact CD1-CB 4.45Å; K246-V476 HydrophobicContact CB-CG1 4.4Å; K246-V476 WeakPolarHBondContact CB-O 3.04Å; K246-V476 PolarHBondContact N-O 2.7Å; L249-V476 HydrophobicContact CB-CG1 3.21Å; L249-V476 HydrophobicContact CD1-CG1 4.31Å; L249-V476 HydrophobicContact CG-CG1 4.4Å; A250-V476 HydrophobicContact CB-CG1 4.28Å; L253-V476 HydrophobicContact CD2-CG2 3.97Å; L473-V476 PolarHBondContact O-N 3.2Å; L473-V476 VanDerWaalsContact O-N 3.13Å
477	T	97.3	Very high	95.9	Very high	25 Å²	25	30.3 Å²	30.3	15%	0.153	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-90.2	171.6	167.7	62.5	0	0	0	0	110.8	P242 S244 L245 T474 G479 G480	P242-T477 WeakPolarHBondContact O-CB 3.31Å; P242-T477 PolarHBondContact O-OG1 3.42Å; S244-T477 CarbonylContact O-C 3.57Å; S244-T477 VanDerWaalsContact O-CA 3.3Å; S244-T477 WeakPolarHBondContact O-CA 2.98Å; L245-T477 HydrophobicContact CD1-CG2 4.1Å; T474-T477 PolarHBondContact O-OG1 3.25Å; T477-G479 PolarHBondContact O-N 3.33Å; T477-G480 WeakPolarHBondContact O-CA 3.31Å; T477-G480 PolarHBondContact O-N 2.88Å; T477-G480 PolarHBondContact OG1-N 3.24Å
478	E	96.4	Very high	95.5	Very high	56 Å²	56	29.3 Å²	29.3	26%	0.262	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.8	173.4	-69.4	170.2	-176.5	0	0	112.8	S234 L235 S236 P242 G243 S244 K246 G480	S234-E478 WeakPolarHBondContact O-CB 3.35Å; S234-E478 VanDerWaalsContact O-CG 3.29Å; S234-E478 WeakPolarHBondContact O-CG 3.47Å; L235-E478 WeakPolarHBondContact CA-O 3.4Å; S236-E478 PolarHBondContact N-O 2.71Å; P242-E478 PolarHBondContact O-N 3.1Å; G243-E478 VanDerWaalsContact CA-OE2 3.27Å; G243-E478 WeakPolarHBondContact CA-OE2 3.5Å; S244-E478 WeakPolarHBondContact CB-OE1 3.41Å; S244-E478 VanDerWaalsContact N-CD 3.27Å; S244-E478 PolarHBondContact N-OE2 3.47Å; S244-E478 VanDerWaalsContact N-OE2 3.08Å; S244-E478 PolarHBondContact O-N 2.9Å; S244-E478 PolarHBondContact OG-OE1 3.28Å; K246-E478 HydrophobicContact CD-CG 4.5Å; E478-G480 VanDerWaalsContact C-N 3.34Å
479	G	95.1	Very high	95.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	3.9	171.6	0	0	0	0	0	114.4	S236 P242 T477 M481 Y482	S236-G479 VanDerWaalsContact OG-CA 3.23Å; S236-G479 WeakPolarHBondContact OG-CA 3.12Å; P242-G479 PolarHBondContact O-N 3.33Å; T477-G479 PolarHBondContact O-N 3.33Å; G479-M481 VanDerWaalsContact C-N 3.31Å; G479-M481 PolarHBondContact O-N 3.35Å; G479-Y482 WeakPolarHBondContact O-CD2 3.47Å; G479-Y482 PolarHBondContact O-N 3.42Å
480	G	95.8	Very high	94.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-29.7	-169.5	0	0	0	0	0	114.3	M475 T477 E478 Y482 V483 F484	M475-G480 CarbonylContact O-C 3.12Å; M475-G480 WeakPolarHBondContact O-CA 3.29Å; T477-G480 WeakPolarHBondContact O-CA 3.31Å; T477-G480 PolarHBondContact O-N 2.88Å; T477-G480 PolarHBondContact OG1-N 3.24Å; E478-G480 VanDerWaalsContact C-N 3.34Å; G480-Y482 VanDerWaalsContact C-N 3.27Å; G480-Y482 PolarHBondContact O-N 2.96Å; G480-V483 PolarHBondContact O-N 3.31Å; G480-F484 WeakPolarHBondContact O-CB 3.27Å; G480-F484 PolarHBondContact O-N 2.96Å
481	M	93.9	Very high	94.3	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.039	13%	0.133	C	C	.	.	H	α-helix	trans	-61.9	-34.1	176.5	-171.8	62.6	-161.9	0	0	112.3	W173 W228 L233 L235 P396 G479 F484 Q485 Y561	W173-M481 HydrophobicContact CH2-CE 4.43Å; W173-M481 HydrophobicContact CH2-SD 3.65Å; W173-M481 HydrophobicContact CZ2-SD 3.97Å; W228-M481 HydrophobicContact CZ2-SD 4.48Å; L233-M481 HydrophobicContact CD1-CB 4.13Å; L233-M481 HydrophobicContact CD1-CG 4.08Å; L233-M481 HydrophobicContact CD1-SD 4.31Å; L235-M481 HydrophobicContact CD1-CB 3.75Å; L235-M481 HydrophobicContact CD1-CG 4.4Å; P396-M481 HydrophobicContact CG-CE 4.37Å; G479-M481 VanDerWaalsContact C-N 3.31Å; G479-M481 PolarHBondContact O-N 3.35Å; M481-F484 HydrophobicContact CE-CD1 3.96Å; M481-F484 HydrophobicContact CE-CE1 4.29Å; M481-F484 HydrophobicContact SD-CD1 4.11Å; M481-Q485 HydrophobicContact CE-CG 4Å; M481-Q485 PolarHBondContact O-N 3.33Å; M481-Y561 HydrophobicContact CE-CE2 3.93Å; M481-Y561 HydrophobicContact CG-CD2 4.29Å; M481-Y561 HydrophobicContact CG-CE2 3.47Å; M481-Y561 VanDerWaalsContact CG-CE2 3.47Å
482	Y	94.9	Very high	93.3	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.035	11%	0.11	C	C	.	.	H	α-helix	trans	-70	-39.2	177.8	-58.3	-67.5	0	0	0	111.8	L235 S236 I239 G479 G480 L486 Y561 Y565 Y567	L235-Y482 HydrophobicContact CD1-CE2 4.04Å; L235-Y482 HydrophobicContact CG-CE2 4.4Å; S236-Y482 WeakPolarHBondContact O-CE2 3.41Å; S236-Y482 PolarHBondContact O-OH 3.28Å; I239-Y482 HydrophobicContact CB-CG 4.38Å; G479-Y482 WeakPolarHBondContact O-CD2 3.47Å; G479-Y482 PolarHBondContact O-N 3.42Å; G480-Y482 VanDerWaalsContact C-N 3.27Å; G480-Y482 PolarHBondContact O-N 2.96Å; Y482-L486 PolarHBondContact O-N 3.15Å; Y482-Y561 HydrophobicContact CD1-CG 4.24Å; Y482-Y561 AromaticContact CE1-CD1 3.96Å; Y482-Y561 HydrophobicContact CE1-CD1 3.96Å; Y482-Y561 HydrophobicContact CE1-CD2 4.5Å; Y482-Y561 AromaticContact CE1-CG 3.9Å; Y482-Y561 HydrophobicContact CE1-CG 3.9Å; Y482-Y565 AromaticContact CD1-CD1 3.76Å; Y482-Y565 HydrophobicContact CD1-CD1 3.76Å; Y482-Y565 AromaticContact CD1-CE1 3.65Å; Y482-Y565 HydrophobicContact CD1-CE1 3.65Å; Y482-Y565 HydrophobicContact CD1-CG 4.46Å; Y482-Y565 AromaticContact CE1-CD1 3.55Å; Y482-Y565 HydrophobicContact CE1-CD1 3.55Å; Y482-Y565 HydrophobicContact CE1-CD2 4.25Å; Y482-Y565 AromaticContact CE1-CE1 3.77Å; Y482-Y565 HydrophobicContact CE1-CE1 3.77Å; Y482-Y565 HydrophobicContact CE1-CE2 4.46Å; Y482-Y565 AromaticContact CE1-CG 3.8Å; Y482-Y565 HydrophobicContact CE1-CG 3.8Å; Y482-Y565 HydrophobicContact CG-CE1 4.39Å; Y482-Y567 VanDerWaalsContact CA-OH 3.31Å; Y482-Y567 WeakPolarHBondContact CA-OH 3.22Å; Y482-Y567 WeakPolarHBondContact O-CE1 3.26Å; Y482-Y567 PolarHBondContact O-OH 3.16Å
483	V	95.7	Very high	92.3	Very high	32 Å²	32	22.7 Å²	22.7	19%	0.194	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-45.3	175.3	-177.5	0	0	0	0	110.3	I239 M475 G480 Q485 L486 F487	I239-V483 HydrophobicContact CD1-CG2 4.4Å; I239-V483 HydrophobicContact CG1-CG2 4.27Å; M475-V483 HydrophobicContact CE-CG1 4.41Å; M475-V483 HydrophobicContact CG-CB 4.21Å; M475-V483 HydrophobicContact CG-CG1 3.9Å; G480-V483 PolarHBondContact O-N 3.31Å; V483-Q485 VanDerWaalsContact C-N 3.32Å; V483-Q485 PolarHBondContact O-N 3.07Å; V483-L486 WeakPolarHBondContact O-CB 3.19Å; V483-L486 PolarHBondContact O-N 3.11Å; V483-L486 VanDerWaalsContact O-N 3.08Å; V483-F487 HydrophobicContact CG1-CD2 4.24Å; V483-F487 HydrophobicContact CG1-CE2 4.15Å; V483-F487 WeakPolarHBondContact O-CD2 3.4Å; V483-F487 PolarHBondContact O-N 2.86Å; V483-F487 VanDerWaalsContact O-N 3.15Å
484	F	94.9	Very high	91.3	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-52.8	-49	175.2	171.7	-87.6	0	0	0	111.6	Y166 V169 I170 W173 P396 M475 G480 M481 L486 F487 D488	Y166-F484 HydrophobicContact CD2-CD2 4.13Å; Y166-F484 AromaticContact CD2-CE2 3.65Å; Y166-F484 HydrophobicContact CD2-CE2 3.65Å; Y166-F484 HydrophobicContact CD2-CZ 4.03Å; Y166-F484 HydrophobicContact CE2-CE2 4.42Å; Y166-F484 HydrophobicContact CE2-CZ 4.39Å; Y166-F484 WeakPolarHBondContact O-CE2 3.2Å; V169-F484 HydrophobicContact CB-CD2 4.17Å; V169-F484 HydrophobicContact CB-CE2 4.37Å; V169-F484 HydrophobicContact CG1-CD2 4.32Å; I170-F484 HydrophobicContact CD1-CE2 4.22Å; I170-F484 HydrophobicContact CD1-CZ 3.92Å; I170-F484 HydrophobicContact CG1-CE2 3.8Å; I170-F484 HydrophobicContact CG1-CZ 3.73Å; W173-F484 AromaticContact CH2-CD1 3.82Å; W173-F484 HydrophobicContact CH2-CD1 3.82Å; W173-F484 AromaticContact CH2-CD2 3.7Å; W173-F484 HydrophobicContact CH2-CD2 3.7Å; W173-F484 AromaticContact CH2-CE1 3.88Å; W173-F484 HydrophobicContact CH2-CE1 3.88Å; W173-F484 AromaticContact CH2-CE2 3.73Å; W173-F484 HydrophobicContact CH2-CE2 3.73Å; W173-F484 AromaticContact CH2-CG 3.74Å; W173-F484 HydrophobicContact CH2-CG 3.74Å; W173-F484 AromaticContact CH2-CZ 3.84Å; W173-F484 HydrophobicContact CH2-CZ 3.84Å; W173-F484 HydrophobicContact CZ2-CD2 4.34Å; W173-F484 HydrophobicContact CZ2-CG 4.41Å; W173-F484 HydrophobicContact CZ3-CD2 4.4Å; W173-F484 HydrophobicContact CZ3-CE1 4.14Å; W173-F484 AromaticContact CZ3-CE2 3.96Å; W173-F484 HydrophobicContact CZ3-CE2 3.96Å; W173-F484 AromaticContact CZ3-CZ 3.84Å; W173-F484 HydrophobicContact CZ3-CZ 3.84Å; P396-F484 HydrophobicContact CG-CE1 4.09Å; P396-F484 HydrophobicContact CG-CZ 4.42Å; M475-F484 HydrophobicContact CB-CB 4.37Å; M475-F484 HydrophobicContact CG-CB 4.37Å; M475-F484 HydrophobicContact SD-CB 4.34Å; M475-F484 HydrophobicContact SD-CD2 4.39Å; G480-F484 WeakPolarHBondContact O-CB 3.27Å; G480-F484 PolarHBondContact O-N 2.96Å; M481-F484 HydrophobicContact CE-CD1 3.96Å; M481-F484 HydrophobicContact CE-CE1 4.29Å; M481-F484 HydrophobicContact SD-CD1 4.11Å; F484-L486 VanDerWaalsContact C-N 3.3Å; F484-L486 PolarHBondContact O-N 3.3Å; F484-F487 PolarHBondContact O-N 2.94Å; F484-D488 HydrophobicContact CE1-CB 4.42Å; F484-D488 PolarHBondContact O-N 3.35Å
485	Q	91.9	Very high	90.7	Very high	38 Å²	38	19.6 Å²	19.6	18%	0.178	10%	0.099	C	C	.	.	H	α-helix	trans	-65.8	-31.4	178.7	-77.2	-159.9	-17.1	0	0	113.6	M481 V483 F487 D488 Y489 L559 Y561 Y567	M481-Q485 HydrophobicContact CE-CG 4Å; M481-Q485 PolarHBondContact O-N 3.33Å; V483-Q485 VanDerWaalsContact C-N 3.32Å; V483-Q485 PolarHBondContact O-N 3.07Å; Q485-F487 VanDerWaalsContact C-N 3.31Å; Q485-D488 PolarHBondContact O-N 3.08Å; Q485-Y489 WeakPolarHBondContact O-CB 3.43Å; Q485-Y489 PolarHBondContact O-N 3.49Å; Q485-L559 HydrophobicContact CB-CD2 4.22Å; Q485-Y561 HydrophobicContact CG-CD2 4.35Å; Q485-Y561 VanDerWaalsContact OE1-CD2 3.28Å; Q485-Y567 WeakPolarHBondContact CB-OH 3.04Å; Q485-Y567 PolarHBondContact OE1-OH 2.94Å
486	L	92.8	Very high	90.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-64.3	-41.2	175.9	-162.7	75.2	0	0	0	110.9	Y482 V483 F484 Y490 L559 A571 L574 L578	Y482-L486 PolarHBondContact O-N 3.15Å; V483-L486 WeakPolarHBondContact O-CB 3.19Å; V483-L486 PolarHBondContact O-N 3.11Å; V483-L486 VanDerWaalsContact O-N 3.08Å; F484-L486 VanDerWaalsContact C-N 3.3Å; F484-L486 PolarHBondContact O-N 3.3Å; L486-Y490 HydrophobicContact CD1-CD2 3.71Å; L486-Y490 HydrophobicContact CD1-CE2 3.78Å; L486-Y490 HydrophobicContact CG-CD2 4.21Å; L486-Y490 WeakPolarHBondContact O-CB 3.44Å; L486-Y490 PolarHBondContact O-N 3.27Å; L486-L559 HydrophobicContact CD1-CD2 4.32Å; L486-A571 WeakPolarHBondContact CD1-O 3.17Å; L486-L574 HydrophobicContact CD2-CB 4.11Å; L486-L574 HydrophobicContact CD2-CD2 3.77Å; L486-L574 HydrophobicContact CD2-CG 3.93Å; L486-L578 HydrophobicContact CD2-CD1 4.34Å; L486-L578 HydrophobicContact CG-CD1 4.48Å
487	F	93.2	Very high	90.2	Very high	30 Å²	30	19.5 Å²	19.5	13%	0.132	10%	0.098	C	C	.	.	I	π-helix	trans	-65.9	-50.2	174.4	-86.8	-112.9	0	0	0	111.8	L162 V165 Y166 M475 V483 F484 Q485 Y489 A491 L578	L162-F487 HydrophobicContact CB-CD1 4.47Å; L162-F487 HydrophobicContact CB-CE1 4.48Å; L162-F487 HydrophobicContact CD2-CE1 3.87Å; V165-F487 HydrophobicContact CG1-CE1 4.45Å; Y166-F487 HydrophobicContact CD1-CB 4.02Å; Y166-F487 HydrophobicContact CG-CB 3.92Å; M475-F487 HydrophobicContact CE-CB 4.17Å; M475-F487 HydrophobicContact CE-CD1 3.63Å; M475-F487 HydrophobicContact CE-CD2 3.5Å; M475-F487 HydrophobicContact CE-CE1 3.78Å; M475-F487 HydrophobicContact CE-CE2 3.66Å; M475-F487 HydrophobicContact CE-CG 3.49Å; M475-F487 VanDerWaalsContact CE-CG 3.49Å; M475-F487 HydrophobicContact CE-CZ 3.79Å; V483-F487 HydrophobicContact CG1-CD2 4.24Å; V483-F487 HydrophobicContact CG1-CE2 4.15Å; V483-F487 WeakPolarHBondContact O-CD2 3.4Å; V483-F487 PolarHBondContact O-N 2.86Å; V483-F487 VanDerWaalsContact O-N 3.15Å; F484-F487 PolarHBondContact O-N 2.94Å; Q485-F487 VanDerWaalsContact C-N 3.31Å; F487-Y489 VanDerWaalsContact C-N 3.3Å; F487-Y489 PolarHBondContact O-N 3.05Å; F487-A491 HydrophobicContact CB-CB 4.41Å; F487-A491 HydrophobicContact CD1-CB 4.19Å; F487-A491 HydrophobicContact CG-CB 4.42Å; F487-A491 VanDerWaalsContact O-CB 3.27Å; F487-A491 WeakPolarHBondContact O-CB 3.49Å; F487-A491 PolarHBondContact O-N 3.39Å; F487-L578 HydrophobicContact CD2-CD1 4.05Å; F487-L578 HydrophobicContact CE2-CD1 4.03Å; F487-L578 HydrophobicContact CG-CD1 4.5Å; F487-L578 HydrophobicContact CZ-CD1 4.45Å; F487-L578 HydrophobicContact CZ-CD2 4.36Å
488	D	89.5	Confident	89.8	Confident	52 Å²	52	18.4 Å²	18.4	28%	0.278	9%	0.091	S	C	.	.	I	π-helix	trans	-61.4	-38.4	-178.9	-172.7	50.3	0	0	0	112.2	Y166 F484 Q485	Y166-D488 HydrophobicContact CD2-CB 4.12Å; Y166-D488 HydrophobicContact CE2-CB 3.65Å; Y166-D488 WeakPolarHBondContact CE2-OD1 3.18Å; Y166-D488 PolarHBondContact OH-OD1 3.26Å; F484-D488 HydrophobicContact CE1-CB 4.42Å; F484-D488 PolarHBondContact O-N 3.35Å; Q485-D488 PolarHBondContact O-N 3.08Å
489	Y	88.3	Confident	89.6	Confident	96 Å²	96	18.8 Å²	18.8	38%	0.376	9%	0.091	S	C	.	.	I	π-helix	trans	-80.7	-39.1	-177.7	-168.7	-90.2	0	0	0	113.7	Q485 F487 S493 Y556 V557 L559	Q485-Y489 WeakPolarHBondContact O-CB 3.43Å; Q485-Y489 PolarHBondContact O-N 3.49Å; F487-Y489 VanDerWaalsContact C-N 3.3Å; F487-Y489 PolarHBondContact O-N 3.05Å; Y489-S493 WeakPolarHBondContact O-CB 3.46Å; Y489-Y556 HydrophobicContact CE1-CE2 4.42Å; Y489-V557 PolarHBondContact OH-O 3.34Å; Y489-L559 HydrophobicContact CD1-CB 4.27Å; Y489-L559 HydrophobicContact CD2-CD1 3.71Å; Y489-L559 HydrophobicContact CE1-CB 4.47Å; Y489-L559 HydrophobicContact CE2-CD1 4.31Å; Y489-L559 HydrophobicContact CG-CB 4.4Å; Y489-L559 HydrophobicContact CG-CD1 3.81Å; Y489-L559 HydrophobicContact CG-CD2 4.4Å; Y489-L559 HydrophobicContact CG-CG 4.43Å
490	Y	90.4	Very high	89.6	Confident	7 Å²	7	18.8 Å²	18.8	3%	0.027	9%	0.09	C	C	.	.	I	π-helix	trans	-110	-43.5	-173	-68.5	-80.6	0	0	0	115	L486 S493 Y556 L559 G575 W576	L486-Y490 HydrophobicContact CD1-CD2 3.71Å; L486-Y490 HydrophobicContact CD1-CE2 3.78Å; L486-Y490 HydrophobicContact CG-CD2 4.21Å; L486-Y490 WeakPolarHBondContact O-CB 3.44Å; L486-Y490 PolarHBondContact O-N 3.27Å; Y490-S493 WeakPolarHBondContact O-CB 3.48Å; Y490-S493 PolarHBondContact O-N 3.38Å; Y490-S493 PolarHBondContact O-OG 3.43Å; Y490-Y556 HydrophobicContact CE1-CE2 4.07Å; Y490-Y556 PolarHBondContact OH-OH 3.17Å; Y490-L559 HydrophobicContact CE2-CB 4.19Å; Y490-L559 HydrophobicContact CE2-CD2 4.29Å; Y490-G575 WeakPolarHBondContact CB-O 3.48Å; Y490-W576 HydrophobicContact CE1-CD2 4.4Å; Y490-W576 HydrophobicContact CE1-CG 4.46Å; Y490-W576 AromaticContact CE1-NE1 3.94Å
491	A	87.4	Confident	89.6	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-70.1	-53.8	-166.1	0	0	0	0	0	112.3	L162 F487 S493 L578	L162-A491 HydrophobicContact CB-CB 3.92Å; L162-A491 HydrophobicContact CD1-CB 3.9Å; L162-A491 HydrophobicContact CG-CB 4.45Å; F487-A491 HydrophobicContact CB-CB 4.41Å; F487-A491 HydrophobicContact CD1-CB 4.19Å; F487-A491 HydrophobicContact CG-CB 4.42Å; F487-A491 VanDerWaalsContact O-CB 3.27Å; F487-A491 WeakPolarHBondContact O-CB 3.49Å; F487-A491 PolarHBondContact O-N 3.39Å; A491-S493 VanDerWaalsContact C-N 3.33Å; A491-L578 HydrophobicContact CB-CB 3.99Å; A491-L578 HydrophobicContact CB-CD1 4.3Å
492	A	77	Confident	89.7	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	24.6	175.4	0	0	0	0	0	112.1	I159 L163 Y166 F329	I159-A492 HydrophobicContact CG2-CB 4.25Å; L163-A492 HydrophobicContact CB-CB 3.97Å; L163-A492 HydrophobicContact CD1-CB 3.98Å; L163-A492 HydrophobicContact CG-CB 4.15Å; Y166-A492 HydrophobicContact CE1-CB 3.93Å; F329-A492 HydrophobicContact CE1-CB 4.31Å; F329-A492 WeakPolarHBondContact CE1-O 3.38Å; F329-A492 WeakPolarHBondContact CZ-O 3.4Å
493	S	76.4	Confident	89.8	Confident	13 Å²	13	21.9 Å²	21.9	9%	0.091	10%	0.104	C	C	.	.			trans	-60.5	158.5	-169.7	76	0	0	0	0	114.1	Y489 Y490 A491 V495 C496 L497	Y489-S493 WeakPolarHBondContact O-CB 3.46Å; Y490-S493 WeakPolarHBondContact O-CB 3.48Å; Y490-S493 PolarHBondContact O-N 3.38Å; Y490-S493 PolarHBondContact O-OG 3.43Å; A491-S493 VanDerWaalsContact C-N 3.33Å; S493-V495 PolarHBondContact O-N 3.15Å; S493-V495 VanDerWaalsContact O-N 3.13Å; S493-V495 PolarHBondContact OG-N 3.4Å; S493-C496 WeakPolarHBondContact O-CB 3.4Å; S493-C496 PolarHBondContact O-N 3.06Å; S493-C496 VanDerWaalsContact O-N 3.08Å; S493-C496 PolarHBondContact OG-N 2.76Å; S493-C496 PolarHBondContact OG-SG 3.19Å; S493-C496 VanDerWaalsContact OG-SG 3.34Å; S493-L497 PolarHBondContact O-N 3.26Å
494	G	76.8	Confident	89.8	Confident	8 Å²	8	20.4 Å²	20.4	8%	0.082	10%	0.095	C	C	.	.	H	α-helix	trans	-54.3	-33.7	173.6	0	0	0	0	0	112.7	L497 L498	G494-L497 PolarHBondContact O-N 2.81Å; G494-L498 WeakPolarHBondContact O-CB 3.44Å; G494-L498 WeakPolarHBondContact O-CD1 3.38Å; G494-L498 WeakPolarHBondContact O-CG 3.28Å; G494-L498 PolarHBondContact O-N 3.43Å
495	V	84	Confident	89.9	Confident	29 Å²	29	20.3 Å²	20.3	18%	0.176	9%	0.094	C	C	.	.	H	α-helix	trans	-64.7	-43	178.7	-177	0	0	0	0	111.7	S493 L498 W499 F549 S552	S493-V495 PolarHBondContact O-N 3.15Å; S493-V495 VanDerWaalsContact O-N 3.13Å; S493-V495 PolarHBondContact OG-N 3.4Å; V495-L498 PolarHBondContact O-N 3.37Å; V495-W499 WeakPolarHBondContact O-CB 3.49Å; V495-W499 PolarHBondContact O-N 2.78Å; V495-F549 HydrophobicContact CG1-CD2 3.53Å; V495-F549 HydrophobicContact CG1-CE2 3.42Å; V495-F549 VanDerWaalsContact CG1-CE2 3.42Å; V495-S552 WeakPolarHBondContact CG2-OG 3.44Å
496	C	90.9	Very high	90.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-42.9	176.1	-60.3	0	0	0	0	111.4	I159 S493 W499 V500	I159-C496 HydrophobicContact CD1-CB 4.01Å; I159-C496 HydrophobicContact CG1-CB 4.4Å; S493-C496 WeakPolarHBondContact O-CB 3.4Å; S493-C496 PolarHBondContact O-N 3.06Å; S493-C496 VanDerWaalsContact O-N 3.08Å; S493-C496 PolarHBondContact OG-N 2.76Å; S493-C496 PolarHBondContact OG-SG 3.19Å; S493-C496 VanDerWaalsContact OG-SG 3.34Å; C496-W499 WeakPolarHBondContact O-CB 3.4Å; C496-W499 PolarHBondContact O-N 3.47Å; C496-V500 WeakPolarHBondContact O-CG2 3.05Å; C496-V500 PolarHBondContact O-N 2.86Å; C496-V500 VanDerWaalsContact O-N 3.13Å
497	L	91	Very high	90.2	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-66.9	-43.3	178.9	-61	176.7	0	0	0	111.9	I159 F328 F329 C334 L335 S493 G494 W499 V500 A501	I159-L497 HydrophobicContact CD1-CD2 4.44Å; I159-L497 HydrophobicContact CG2-CD2 4.06Å; F328-L497 HydrophobicContact CB-CB 4.38Å; F328-L497 HydrophobicContact CB-CD1 4.18Å; F328-L497 HydrophobicContact CD2-CB 4.06Å; F329-L497 HydrophobicContact CD1-CD1 4.11Å; F329-L497 HydrophobicContact CD2-CD1 3.96Å; F329-L497 HydrophobicContact CE1-CD1 4.25Å; F329-L497 HydrophobicContact CE2-CD1 4.11Å; F329-L497 HydrophobicContact CG-CD1 4.02Å; F329-L497 HydrophobicContact CZ-CD1 4.32Å; C334-L497 HydrophobicContact CB-CD2 4.34Å; L335-L497 HydrophobicContact CD2-CD2 3.77Å; L335-L497 HydrophobicContact CG-CD2 4.33Å; S493-L497 PolarHBondContact O-N 3.26Å; G494-L497 PolarHBondContact O-N 2.81Å; L497-W499 VanDerWaalsContact C-N 3.3Å; L497-W499 PolarHBondContact O-N 2.85Å; L497-V500 PolarHBondContact O-N 2.96Å; L497-A501 WeakPolarHBondContact O-CB 3.45Å; L497-A501 PolarHBondContact O-N 3.48Å
498	L	89.8	Confident	90.3	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-61.4	-38.9	175.6	-68.6	164.8	0	0	0	111.7	F328 G494 V495 F502 C545 C548	F328-L498 HydrophobicContact CD2-CD2 4.15Å; F328-L498 HydrophobicContact CE1-CD2 4.39Å; F328-L498 HydrophobicContact CE2-CD2 3.61Å; F328-L498 HydrophobicContact CE2-CG 4.32Å; F328-L498 HydrophobicContact CZ-CD2 3.76Å; G494-L498 WeakPolarHBondContact O-CB 3.44Å; G494-L498 WeakPolarHBondContact O-CD1 3.38Å; G494-L498 WeakPolarHBondContact O-CG 3.28Å; G494-L498 PolarHBondContact O-N 3.43Å; V495-L498 PolarHBondContact O-N 3.37Å; L498-F502 PolarHBondContact O-N 2.94Å; L498-C545 HydrophobicContact CD2-CB 4.35Å; L498-C548 HydrophobicContact CD1-CB 3.62Å; L498-C548 HydrophobicContact CD2-CB 4.35Å
499	W	92.2	Very high	90.6	Very high	64 Å²	64	18.5 Å²	18.5	24%	0.242	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-48.7	175.6	178.2	-98.5	0	0	0	111.8	V495 C496 L497 F503 F549 M583	V495-W499 WeakPolarHBondContact O-CB 3.49Å; V495-W499 PolarHBondContact O-N 2.78Å; C496-W499 WeakPolarHBondContact O-CB 3.4Å; C496-W499 PolarHBondContact O-N 3.47Å; L497-W499 VanDerWaalsContact C-N 3.3Å; L497-W499 PolarHBondContact O-N 2.85Å; W499-F503 HydrophobicContact CD2-CD2 4.45Å; W499-F503 AromaticContact CD2-CE2 3.96Å; W499-F503 HydrophobicContact CD2-CE2 3.96Å; W499-F503 AromaticContact CE2-CE2 3.46Å; W499-F503 VanDerWaalsContact CE2-CE2 3.46Å; W499-F503 HydrophobicContact CE3-CE2 4.38Å; W499-F503 AromaticContact CH2-CE2 3.95Å; W499-F503 HydrophobicContact CH2-CE2 3.95Å; W499-F503 HydrophobicContact CH2-CZ 4.32Å; W499-F503 AromaticContact CZ2-CE2 3.48Å; W499-F503 HydrophobicContact CZ2-CE2 3.48Å; W499-F503 VanDerWaalsContact CZ2-CE2 3.48Å; W499-F503 HydrophobicContact CZ2-CZ 4.06Å; W499-F503 HydrophobicContact CZ3-CE2 4.38Å; W499-F503 AromaticContact NE1-CE2 3.8Å; W499-F503 WeakPolarHBondContact O-CD2 3.46Å; W499-F503 PolarHBondContact O-N 3.35Å; W499-F549 AromaticContact CE3-CE2 3.98Å; W499-F549 HydrophobicContact CE3-CE2 3.98Å; W499-F549 AromaticContact CE3-CZ 3.97Å; W499-F549 HydrophobicContact CE3-CZ 3.97Å; W499-F549 HydrophobicContact CZ3-CE1 4.48Å; W499-F549 HydrophobicContact CZ3-CZ 4.18Å; W499-M583 HydrophobicContact CB-CE 4.31Å; W499-M583 HydrophobicContact CB-CG 4.32Å; W499-M583 HydrophobicContact CD2-CE 3.76Å; W499-M583 HydrophobicContact CE3-CE 3.86Å; W499-M583 HydrophobicContact CG-CB 4.33Å; W499-M583 HydrophobicContact CG-CE 3.99Å; W499-M583 HydrophobicContact CG-CG 3.99Å; W499-M583 HydrophobicContact CZ3-CE 4.44Å; W499-M583 PolarHBondContact NE1-O 3.41Å
500	V	95.1	Very high	90.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.6	-47	178.3	175.8	0	0	0	0	110.9	I152 A155 I159 C334 C496 L497 F502 F503 E504	I152-V500 HydrophobicContact CG2-CG1 4.06Å; A155-V500 HydrophobicContact CB-CG2 3.87Å; I159-V500 HydrophobicContact CD1-CG2 3.78Å; C334-V500 HydrophobicContact CB-CB 4Å; C334-V500 HydrophobicContact CB-CG1 3.76Å; C496-V500 WeakPolarHBondContact O-CG2 3.05Å; C496-V500 PolarHBondContact O-N 2.86Å; C496-V500 VanDerWaalsContact O-N 3.13Å; L497-V500 PolarHBondContact O-N 2.96Å; V500-F502 VanDerWaalsContact C-N 3.26Å; V500-F502 PolarHBondContact O-N 3.21Å; V500-F503 PolarHBondContact O-N 2.82Å; V500-E504 HydrophobicContact CG1-CG 4.09Å; V500-E504 WeakPolarHBondContact O-CG 3.17Å; V500-E504 PolarHBondContact O-N 3.37Å
501	A	95	Very high	90.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-56.7	-38.8	179.6	0	0	0	0	0	113.3	F328 C334 L497 E504 C505	F328-A501 HydrophobicContact CD2-CB 4.29Å; F328-A501 HydrophobicContact CE2-CB 3.42Å; F328-A501 VanDerWaalsContact CE2-CB 3.42Å; F328-A501 HydrophobicContact CZ-CB 4.14Å; C334-A501 VanDerWaalsContact SG-CA 3.56Å; C334-A501 WeakPolarHBondContact SG-CB 3.17Å; L497-A501 WeakPolarHBondContact O-CB 3.45Å; L497-A501 PolarHBondContact O-N 3.48Å; A501-E504 PolarHBondContact O-N 2.92Å; A501-C505 WeakPolarHBondContact O-CB 3.2Å; A501-C505 PolarHBondContact O-N 2.85Å; A501-C505 PolarHBondContact O-SG 3.5Å; A501-C505 VanDerWaalsContact O-SG 3.39Å
502	F	95.9	Very high	91.1	Very high	52 Å²	52	21.5 Å²	21.5	23%	0.228	10%	0.098	C	C	.	.	H	α-helix	trans	-57.8	-51	174.1	168.7	-96.9	0	0	0	111.1	L498 V500 C505 F506 P542 C545 V546	L498-F502 PolarHBondContact O-N 2.94Å; V500-F502 VanDerWaalsContact C-N 3.26Å; V500-F502 PolarHBondContact O-N 3.21Å; F502-C505 PolarHBondContact O-N 2.96Å; F502-F506 HydrophobicContact CZ-CB 4.47Å; F502-F506 WeakPolarHBondContact O-CB 3.3Å; F502-F506 PolarHBondContact O-N 2.75Å; F502-P542 HydrophobicContact CD2-CB 4.03Å; F502-P542 HydrophobicContact CE2-CB 4.19Å; F502-C545 HydrophobicContact CB-CB 4.15Å; F502-V546 HydrophobicContact CD2-CG2 3.63Å; F502-V546 HydrophobicContact CE2-CG2 3.73Å; F502-V546 HydrophobicContact CG-CG2 4.44Å
503	F	97.1	Very high	91.8	Very high	30 Å²	30	22.2 Å²	22.2	13%	0.132	11%	0.106	C	C	.	.	H	α-helix	trans	-67.7	-38.5	-179.4	-79.1	-72.1	0	0	0	112.6	F149 I152 W499 V500 F506 V507 V586	F149-F503 HydrophobicContact CD1-CD1 4.16Å; F149-F503 AromaticContact CE1-CD1 3.9Å; F149-F503 HydrophobicContact CE1-CD1 3.9Å; F149-F503 HydrophobicContact CE1-CE1 4.08Å; I152-F503 HydrophobicContact CD1-CB 3.82Å; I152-F503 HydrophobicContact CG1-CB 3.89Å; W499-F503 HydrophobicContact CD2-CD2 4.45Å; W499-F503 AromaticContact CD2-CE2 3.96Å; W499-F503 HydrophobicContact CD2-CE2 3.96Å; W499-F503 AromaticContact CE2-CE2 3.46Å; W499-F503 VanDerWaalsContact CE2-CE2 3.46Å; W499-F503 HydrophobicContact CE3-CE2 4.38Å; W499-F503 AromaticContact CH2-CE2 3.95Å; W499-F503 HydrophobicContact CH2-CE2 3.95Å; W499-F503 HydrophobicContact CH2-CZ 4.32Å; W499-F503 AromaticContact CZ2-CE2 3.48Å; W499-F503 HydrophobicContact CZ2-CE2 3.48Å; W499-F503 VanDerWaalsContact CZ2-CE2 3.48Å; W499-F503 HydrophobicContact CZ2-CZ 4.06Å; W499-F503 HydrophobicContact CZ3-CE2 4.38Å; W499-F503 AromaticContact NE1-CE2 3.8Å; W499-F503 WeakPolarHBondContact O-CD2 3.46Å; W499-F503 PolarHBondContact O-N 3.35Å; V500-F503 PolarHBondContact O-N 2.82Å; F503-F506 PolarHBondContact O-N 3.06Å; F503-V507 WeakPolarHBondContact O-CB 3.37Å; F503-V507 WeakPolarHBondContact O-CG2 3.24Å; F503-V507 PolarHBondContact O-N 3.02Å; F503-V586 HydrophobicContact CD1-CG1 3.97Å; F503-V586 HydrophobicContact CD2-CG1 4.11Å; F503-V586 HydrophobicContact CD2-CG2 4.33Å; F503-V586 HydrophobicContact CE1-CG1 4.06Å; F503-V586 HydrophobicContact CE2-CG1 4.23Å; F503-V586 HydrophobicContact CG-CG1 4Å; F503-V586 HydrophobicContact CZ-CG1 4.19Å
504	E	96.5	Very high	92.4	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-51.5	175.3	-68.4	-167.9	153.9	0	0	111.5	W142 I152 C334 V500 A501 I508	W142-E504 HydrophobicContact CH2-CB 3.93Å; W142-E504 HydrophobicContact CH2-CG 4.02Å; W142-E504 HydrophobicContact CZ2-CB 3.93Å; W142-E504 HydrophobicContact CZ2-CG 3.53Å; I152-E504 HydrophobicContact CG2-CG 3.52Å; C334-E504 PolarHBondContact SG-OE2 3.01Å; C334-E504 VanDerWaalsContact SG-OE2 3.39Å; V500-E504 HydrophobicContact CG1-CG 4.09Å; V500-E504 WeakPolarHBondContact O-CG 3.17Å; V500-E504 PolarHBondContact O-N 3.37Å; A501-E504 PolarHBondContact O-N 2.92Å; E504-I508 WeakPolarHBondContact O-CB 3.5Å; E504-I508 VanDerWaalsContact O-CG1 3.28Å; E504-I508 WeakPolarHBondContact O-CG1 3.3Å; E504-I508 PolarHBondContact O-N 3.27Å; E504-I508 VanDerWaalsContact O-N 3.11Å
505	C	96.9	Very high	93.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.2	-44.2	179.8	-72.7	0	0	0	0	111.9	A501 F502 I508 A509 W537 T541 P542	A501-C505 WeakPolarHBondContact O-CB 3.2Å; A501-C505 PolarHBondContact O-N 2.85Å; A501-C505 PolarHBondContact O-SG 3.5Å; A501-C505 VanDerWaalsContact O-SG 3.39Å; F502-C505 PolarHBondContact O-N 2.96Å; C505-I508 PolarHBondContact O-N 2.61Å; C505-A509 WeakPolarHBondContact O-CB 3.39Å; C505-A509 PolarHBondContact O-N 2.62Å; C505-W537 WeakPolarHBondContact CB-O 3.43Å; C505-T541 HydrophobicContact CB-CG2 4.37Å; C505-T541 WeakPolarHBondContact SG-CG2 3.39Å; C505-P542 HydrophobicContact CB-CG 4.09Å
506	F	96.1	Very high	93.4	Very high	70 Å²	70	25.6 Å²	25.6	31%	0.307	12%	0.121	S	C	.	.	H	α-helix	trans	-60.8	-49.2	179.8	177.1	-105.8	0	0	0	111.7	F502 F503 I508 W510 I511	F502-F506 HydrophobicContact CZ-CB 4.47Å; F502-F506 WeakPolarHBondContact O-CB 3.3Å; F502-F506 PolarHBondContact O-N 2.75Å; F503-F506 PolarHBondContact O-N 3.06Å; F506-I508 PolarHBondContact O-N 3.41Å; F506-W510 HydrophobicContact CD2-CB 4.35Å; F506-W510 AromaticContact CD2-CD1 3.86Å; F506-W510 HydrophobicContact CD2-CG 4.31Å; F506-W510 HydrophobicContact CE2-CB 4.23Å; F506-W510 HydrophobicContact CE2-CG 4.37Å; F506-W510 WeakPolarHBondContact O-CB 3.29Å; F506-W510 PolarHBondContact O-N 3.16Å; F506-I511 HydrophobicContact CD1-CD1 4.4Å; F506-I511 HydrophobicContact CE1-CD1 3.92Å; F506-I511 HydrophobicContact CE1-CG1 4.28Å
507	V	95.8	Very high	93.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	I	π-helix	trans	-62.9	-45.4	180	172.3	0	0	0	0	110.5	W142 C146 F149 I152 F503 I511 Y512	W142-V507 HydrophobicContact CE3-CG1 4.28Å; W142-V507 HydrophobicContact CZ3-CB 4.08Å; W142-V507 HydrophobicContact CZ3-CG1 3.82Å; C146-V507 HydrophobicContact CB-CG1 3.69Å; F149-V507 HydrophobicContact CB-CG1 4.4Å; F149-V507 HydrophobicContact CB-CG2 3.67Å; F149-V507 HydrophobicContact CD1-CG2 3.64Å; F149-V507 HydrophobicContact CD2-CG2 3.78Å; F149-V507 HydrophobicContact CE1-CG2 4.19Å; F149-V507 HydrophobicContact CE2-CG2 4.32Å; F149-V507 HydrophobicContact CG-CG2 3.41Å; F149-V507 VanDerWaalsContact CG-CG2 3.41Å; F149-V507 HydrophobicContact CZ-CG2 4.5Å; I152-V507 HydrophobicContact CD1-CB 4.38Å; I152-V507 HydrophobicContact CD1-CG2 3.87Å; F503-V507 WeakPolarHBondContact O-CB 3.37Å; F503-V507 WeakPolarHBondContact O-CG2 3.24Å; F503-V507 PolarHBondContact O-N 3.02Å; V507-I511 HydrophobicContact CG1-CB 4.42Å; V507-I511 HydrophobicContact CG2-CD1 4.33Å; V507-I511 CarbonylContact O-C 3.57Å; V507-I511 WeakPolarHBondContact O-CA 2.98Å; V507-I511 VanDerWaalsContact O-CB 3.3Å; V507-I511 WeakPolarHBondContact O-CB 3.25Å; V507-I511 PolarHBondContact O-N 3.43Å; V507-Y512 PolarHBondContact O-N 2.54Å
508	I	94.8	Very high	93.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	I	π-helix	trans	-69.2	-48.9	-177.7	-67.4	-68.2	0	0	0	112	L126 I130 W142 I145 E504 C505 F506 G513 G514 L517	L126-I508 HydrophobicContact CD1-CB 4.36Å; L126-I508 HydrophobicContact CD1-CG1 4.18Å; L126-I508 HydrophobicContact CD1-CG2 3.87Å; L126-I508 HydrophobicContact CD2-CG1 4.47Å; I130-I508 HydrophobicContact CD1-CD1 3.47Å; I130-I508 VanDerWaalsContact CD1-CD1 3.47Å; I130-I508 HydrophobicContact CD1-CG1 3.76Å; I130-I508 HydrophobicContact CG1-CD1 4.29Å; W142-I508 HydrophobicContact CH2-CD1 4.14Å; W142-I508 HydrophobicContact CH2-CG1 3.78Å; W142-I508 HydrophobicContact CZ3-CD1 3.97Å; W142-I508 HydrophobicContact CZ3-CG1 3.95Å; I145-I508 HydrophobicContact CD1-CD1 4.17Å; I145-I508 HydrophobicContact CG2-CD1 3.85Å; E504-I508 WeakPolarHBondContact O-CB 3.5Å; E504-I508 VanDerWaalsContact O-CG1 3.28Å; E504-I508 WeakPolarHBondContact O-CG1 3.3Å; E504-I508 PolarHBondContact O-N 3.27Å; E504-I508 VanDerWaalsContact O-N 3.11Å; C505-I508 PolarHBondContact O-N 2.61Å; F506-I508 PolarHBondContact O-N 3.41Å; I508-G513 CarbonylContact O-C 3.58Å; I508-G513 VanDerWaalsContact O-C 3.23Å; I508-G513 WeakPolarHBondContact O-CA 3.49Å; I508-G513 PolarHBondContact O-N 2.72Å; I508-G514 PolarHBondContact O-N 2.98Å; I508-L517 HydrophobicContact CG2-CB 4.37Å; I508-L517 HydrophobicContact CG2-CD2 3.43Å; I508-L517 VanDerWaalsContact CG2-CD2 3.43Å; I508-L517 HydrophobicContact CG2-CG 4.48Å
509	A	94.6	Very high	93.6	Very high	14 Å²	14	27.4 Å²	27.4	12%	0.116	13%	0.13	C	C	.	.	I	π-helix	trans	-72	-39.3	-172.7	0	0	0	0	0	112.3	C505 G514 W537 A538	C505-A509 WeakPolarHBondContact O-CB 3.39Å; C505-A509 PolarHBondContact O-N 2.62Å; A509-G514 PolarHBondContact O-N 3.32Å; A509-W537 HydrophobicContact CB-CB 4.45Å; A509-A538 HydrophobicContact CB-CB 3.85Å
510	W	93.9	Very high	93.5	Very high	132 Å²	132	24.4 Å²	24.4	50%	0.5	12%	0.119	S	C	.	.	I	π-helix	trans	-110.1	-29.6	-169	-61.9	97.4	0	0	0	114.7	F506 A538	F506-W510 HydrophobicContact CD2-CB 4.35Å; F506-W510 AromaticContact CD2-CD1 3.86Å; F506-W510 HydrophobicContact CD2-CG 4.31Å; F506-W510 HydrophobicContact CE2-CB 4.23Å; F506-W510 HydrophobicContact CE2-CG 4.37Å; F506-W510 WeakPolarHBondContact O-CB 3.29Å; F506-W510 PolarHBondContact O-N 3.16Å; W510-A538 HydrophobicContact CZ2-CB 4.43Å; W510-A538 PolarHBondContact NE1-O 3.3Å
511	I	92.4	Very high	93.5	Very high	26 Å²	26	24.4 Å²	24.4	13%	0.133	12%	0.119	C	C	.	.	I	π-helix	trans	-96.5	-56.5	-179.4	-58.8	-170.1	0	0	0	111.4	F149 F506 V507 G513 L609	F149-I511 HydrophobicContact CD2-CD1 3.91Å; F149-I511 HydrophobicContact CE2-CD1 3.28Å; F149-I511 HydrophobicContact CZ-CD1 3.87Å; F506-I511 HydrophobicContact CD1-CD1 4.4Å; F506-I511 HydrophobicContact CE1-CD1 3.92Å; F506-I511 HydrophobicContact CE1-CG1 4.28Å; V507-I511 HydrophobicContact CG1-CB 4.42Å; V507-I511 HydrophobicContact CG2-CD1 4.33Å; V507-I511 CarbonylContact O-C 3.57Å; V507-I511 WeakPolarHBondContact O-CA 2.98Å; V507-I511 VanDerWaalsContact O-CB 3.3Å; V507-I511 WeakPolarHBondContact O-CB 3.25Å; V507-I511 PolarHBondContact O-N 3.43Å; I511-G513 VanDerWaalsContact C-N 3.32Å; I511-L609 HydrophobicContact CD1-CD2 3.95Å; I511-L609 HydrophobicContact CG2-CB 4.41Å; I511-L609 HydrophobicContact CG2-CD2 3.68Å
512	Y	91	Very high	93.4	Very high	7 Å²	7	28.1 Å²	28.1	3%	0.027	14%	0.136	C	C	.	.	I	π-helix	trans	-70.2	-34.4	175.5	-176.5	-102.9	0	0	0	111.1	I145 V507 N516 L517 P611 N615	I145-Y512 HydrophobicContact CG2-CD2 3.72Å; I145-Y512 HydrophobicContact CG2-CE2 4.34Å; I145-Y512 HydrophobicContact CG2-CG 3.97Å; V507-Y512 PolarHBondContact O-N 2.54Å; Y512-N516 HydrophobicContact CD1-CB 4.23Å; Y512-N516 HydrophobicContact CE1-CB 3.93Å; Y512-N516 PolarHBondContact O-ND2 3.36Å; Y512-L517 HydrophobicContact CD1-CB 4.41Å; Y512-L517 HydrophobicContact CE1-CB 4.27Å; Y512-P611 HydrophobicContact CD2-CG 3.84Å; Y512-P611 HydrophobicContact CE2-CB 4.44Å; Y512-P611 HydrophobicContact CE2-CG 3.71Å; Y512-N615 VanDerWaalsContact OH-CG 3.26Å; Y512-N615 PolarHBondContact OH-ND2 3.47Å; Y512-N615 PolarHBondContact OH-OD1 2.93Å
513	G	91.3	Very high	93.2	Very high	16 Å²	16	28.1 Å²	28.1	17%	0.165	14%	0.139	C	C	.	.	I	π-helix	trans	98.3	119	179.6	0	0	0	0	0	111.8	I508 I511 D515 N516 L517	I508-G513 CarbonylContact O-C 3.58Å; I508-G513 VanDerWaalsContact O-C 3.23Å; I508-G513 WeakPolarHBondContact O-CA 3.49Å; I508-G513 PolarHBondContact O-N 2.72Å; I511-G513 VanDerWaalsContact C-N 3.32Å; G513-D515 VanDerWaalsContact C-N 3.25Å; G513-D515 PolarHBondContact O-N 3.47Å; G513-N516 WeakPolarHBondContact O-CB 3.22Å; G513-N516 PolarHBondContact O-N 3.4Å; G513-N516 VanDerWaalsContact O-N 3.11Å; G513-L517 PolarHBondContact O-N 3.33Å
514	G	90.3	Very high	93	Very high	4 Å²	4	26.8 Å²	26.8	4%	0.041	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-31.7	179.4	0	0	0	0	0	114	I508 A509 L517 Y518	I508-G514 PolarHBondContact O-N 2.98Å; A509-G514 PolarHBondContact O-N 3.32Å; G514-L517 PolarHBondContact O-N 2.98Å; G514-Y518 WeakPolarHBondContact O-CD2 3.46Å; G514-Y518 PolarHBondContact O-N 3.45Å
515	D	90.7	Very high	92.9	Very high	83 Å²	83	27.7 Å²	27.7	44%	0.444	14%	0.138	S	C	.	.	H	α-helix	trans	-68.6	-39.9	174.7	-69.3	-55	0	0	0	112.1	G513 L517 Y518 D519 K534	G513-D515 VanDerWaalsContact C-N 3.25Å; G513-D515 PolarHBondContact O-N 3.47Å; D515-L517 VanDerWaalsContact C-N 3.27Å; D515-L517 PolarHBondContact O-N 3.36Å; D515-Y518 WeakPolarHBondContact O-CB 3.46Å; D515-Y518 PolarHBondContact O-N 2.86Å; D515-Y518 VanDerWaalsContact O-N 3.08Å; D515-D519 PolarHBondContact O-N 3.21Å; D515-D519 VanDerWaalsContact O-OD1 3.1Å; D515-K534 IonicContact OD1-NZ 2.66Å; D515-K534 PolarHBondContact OD1-NZ 2.83Å; D515-K534 IonicContact OD2-NZ 3.69Å; D515-K534 PolarHBondContact OD2-NZ 3.39Å
516	N	89.3	Confident	92.8	Very high	33 Å²	33	30.7 Å²	30.7	18%	0.176	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-39.6	176.7	-63.8	-17.6	0	0	0	111.3	Y512 G513 G520 W617	Y512-N516 HydrophobicContact CD1-CB 4.23Å; Y512-N516 HydrophobicContact CE1-CB 3.93Å; Y512-N516 PolarHBondContact O-ND2 3.36Å; G513-N516 WeakPolarHBondContact O-CB 3.22Å; G513-N516 PolarHBondContact O-N 3.4Å; G513-N516 VanDerWaalsContact O-N 3.11Å; N516-G520 PolarHBondContact O-N 3.04Å; N516-G520 VanDerWaalsContact O-N 3.09Å; N516-W617 HydrophobicContact CB-CH2 3.73Å; N516-W617 HydrophobicContact CB-CZ2 3.79Å; N516-W617 VanDerWaalsContact CG-CH2 3.48Å; N516-W617 VanDerWaalsContact OD1-CH2 3.3Å; N516-W617 WeakPolarHBondContact OD1-CH2 3.38Å
517	L	91.3	Very high	92.7	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-43.4	173.3	-178.4	60.4	0	0	0	111.5	L126 I508 Y512 G513 G514 D515 D519 G520 I521 W537	L126-L517 HydrophobicContact CD1-CD2 3.52Å; I508-L517 HydrophobicContact CG2-CB 4.37Å; I508-L517 HydrophobicContact CG2-CD2 3.43Å; I508-L517 VanDerWaalsContact CG2-CD2 3.43Å; I508-L517 HydrophobicContact CG2-CG 4.48Å; Y512-L517 HydrophobicContact CD1-CB 4.41Å; Y512-L517 HydrophobicContact CE1-CB 4.27Å; G513-L517 PolarHBondContact O-N 3.33Å; G514-L517 PolarHBondContact O-N 2.98Å; D515-L517 VanDerWaalsContact C-N 3.27Å; D515-L517 PolarHBondContact O-N 3.36Å; L517-D519 VanDerWaalsContact C-N 3.34Å; L517-D519 PolarHBondContact O-N 3.02Å; L517-G520 CarbonylContact O-C 3.23Å; L517-G520 WeakPolarHBondContact O-CA 3.3Å; L517-G520 PolarHBondContact O-N 3.15Å; L517-G520 VanDerWaalsContact O-N 3.15Å; L517-I521 HydrophobicContact CD1-CD1 4.4Å; L517-I521 HydrophobicContact CD1-CG1 4.33Å; L517-I521 HydrophobicContact CD2-CD1 4.49Å; L517-I521 HydrophobicContact CG-CD1 3.93Å; L517-I521 HydrophobicContact CG-CG1 4.33Å; L517-I521 VanDerWaalsContact O-CG1 3.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.18Å; L517-I521 PolarHBondContact O-N 3.49Å; L517-W537 HydrophobicContact CD2-CE3 4.2Å; L517-W537 HydrophobicContact CD2-CH2 3.94Å; L517-W537 HydrophobicContact CD2-CZ3 3.62Å; L517-W537 HydrophobicContact CG-CZ3 4.38Å
518	Y	93.8	Very high	92.6	Very high	12 Å²	12	36 Å²	36	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-40.2	177.4	-96.7	-124.1	0	0	0	113	G514 D515 G520 I521 E522 R528 P529 G530 M533 K534 W537	G514-Y518 WeakPolarHBondContact O-CD2 3.46Å; G514-Y518 PolarHBondContact O-N 3.45Å; D515-Y518 WeakPolarHBondContact O-CB 3.46Å; D515-Y518 PolarHBondContact O-N 2.86Å; D515-Y518 VanDerWaalsContact O-N 3.08Å; Y518-G520 VanDerWaalsContact C-N 3.34Å; Y518-I521 HydrophobicContact CD2-CD1 4.47Å; Y518-I521 PolarHBondContact O-N 3.03Å; Y518-E522 WeakPolarHBondContact O-CB 3.45Å; Y518-E522 PolarHBondContact O-N 2.7Å; Y518-R528 HydrophobicContact CD1-CB 4.07Å; Y518-R528 HydrophobicContact CD1-CG 4.28Å; Y518-P529 VanDerWaalsContact CE1-O 3.28Å; Y518-P529 WeakPolarHBondContact CE1-O 3.44Å; Y518-G530 PolarHBondContact OH-O 3.22Å; Y518-M533 WeakPolarHBondContact OH-CB 3.32Å; Y518-K534 HydrophobicContact CD2-CB 4.4Å; Y518-K534 HydrophobicContact CE2-CB 3.56Å; Y518-K534 HydrophobicContact CE2-CG 4.3Å; Y518-K534 WeakPolarHBondContact OH-CB 3.27Å; Y518-K534 PolarHBondContact OH-N 3.07Å; Y518-W537 HydrophobicContact CD2-CZ3 4.03Å; Y518-W537 HydrophobicContact CE2-CE3 4.23Å; Y518-W537 HydrophobicContact CE2-CH2 4.31Å; Y518-W537 AromaticContact CE2-CZ3 3.55Å; Y518-W537 HydrophobicContact CE2-CZ3 3.55Å
519	D	91.6	Very high	92.5	Very high	27 Å²	27	36.3 Å²	36.3	14%	0.144	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-43.6	172.8	-77.8	33.4	0	0	0	110.9	D515 L517 E522 D523 R528 R621	D515-D519 PolarHBondContact O-N 3.21Å; D515-D519 VanDerWaalsContact O-OD1 3.1Å; L517-D519 VanDerWaalsContact C-N 3.34Å; L517-D519 PolarHBondContact O-N 3.02Å; D519-E522 PolarHBondContact O-N 2.87Å; D519-D523 PolarHBondContact O-N 3.43Å; D519-R528 VanDerWaalsContact CG-NH2 3.31Å; D519-R528 IonicContact OD1-CZ 3.91Å; D519-R528 IonicContact OD1-NH1 2.8Å; D519-R528 PolarHBondContact OD1-NH1 3.14Å; D519-R528 IonicContact OD1-NH2 3.23Å; D519-R528 PolarHBondContact OD1-NH2 3.33Å; D519-R528 IonicContact OD2-NH2 2.7Å; D519-R621 IonicContact OD2-NH1 3.33Å
520	G	90.5	Very high	92.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-63.6	-38.3	173.6	0	0	0	0	0	113.3	N516 L517 Y518 D523 M524	N516-G520 PolarHBondContact O-N 3.04Å; N516-G520 VanDerWaalsContact O-N 3.09Å; L517-G520 CarbonylContact O-C 3.23Å; L517-G520 WeakPolarHBondContact O-CA 3.3Å; L517-G520 PolarHBondContact O-N 3.15Å; L517-G520 VanDerWaalsContact O-N 3.15Å; Y518-G520 VanDerWaalsContact C-N 3.34Å; G520-D523 PolarHBondContact O-N 2.88Å; G520-M524 WeakPolarHBondContact O-CE 3.36Å; G520-M524 WeakPolarHBondContact O-CG 3.35Å; G520-M524 PolarHBondContact O-N 3.18Å
521	I	94.2	Very high	92.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-46.6	175.5	-66.1	167.2	0	0	0	110.4	F125 I129 L517 Y518 D523 M524 I525 P529 W537	F125-I521 HydrophobicContact CE1-CD1 3.95Å; F125-I521 HydrophobicContact CZ-CD1 4.09Å; F125-I521 HydrophobicContact CZ-CG2 4.3Å; I129-I521 HydrophobicContact CG1-CD1 4.34Å; I129-I521 HydrophobicContact CG1-CG1 3.76Å; I129-I521 HydrophobicContact CG2-CD1 4.42Å; L517-I521 HydrophobicContact CD1-CD1 4.4Å; L517-I521 HydrophobicContact CD1-CG1 4.33Å; L517-I521 HydrophobicContact CD2-CD1 4.49Å; L517-I521 HydrophobicContact CG-CD1 3.93Å; L517-I521 HydrophobicContact CG-CG1 4.33Å; L517-I521 VanDerWaalsContact O-CG1 3.24Å; L517-I521 WeakPolarHBondContact O-CG1 3.18Å; L517-I521 PolarHBondContact O-N 3.49Å; Y518-I521 HydrophobicContact CD2-CD1 4.47Å; Y518-I521 PolarHBondContact O-N 3.03Å; I521-D523 VanDerWaalsContact C-N 3.28Å; I521-D523 PolarHBondContact O-N 3.04Å; I521-M524 HydrophobicContact CG1-CE 4.31Å; I521-M524 PolarHBondContact O-N 3.46Å; I521-I525 HydrophobicContact CG2-CD1 3.54Å; I521-I525 HydrophobicContact CG2-CG1 3.87Å; I521-I525 WeakPolarHBondContact O-CG1 3.38Å; I521-I525 PolarHBondContact O-N 2.76Å; I521-P529 HydrophobicContact CD1-CG 4.42Å; I521-P529 HydrophobicContact CG2-CG 3.77Å; I521-W537 HydrophobicContact CD1-CH2 3.99Å; I521-W537 HydrophobicContact CD1-CZ3 4.41Å
522	E	94.3	Very high	92.5	Very high	78 Å²	78	37.8 Å²	37.8	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-41.6	177.1	-177	172.2	-156.3	0	0	111.5	Y518 D519 G526 R528	Y518-E522 WeakPolarHBondContact O-CB 3.45Å; Y518-E522 PolarHBondContact O-N 2.7Å; D519-E522 PolarHBondContact O-N 2.87Å; E522-G526 CarbonylContact O-C 3.55Å; E522-G526 WeakPolarHBondContact O-CA 3.32Å; E522-G526 PolarHBondContact O-N 2.8Å; E522-R528 HydrophobicContact CB-CG 3.88Å; E522-R528 HydrophobicContact CG-CG 4.26Å; E522-R528 IonicContact OE2-CZ 2.7Å; E522-R528 VanDerWaalsContact OE2-CZ 3.25Å; E522-R528 IonicContact OE2-NE 3.43Å; E522-R528 PolarHBondContact OE2-NE 3.25Å; E522-R528 IonicContact OE2-NH2 2.87Å; E522-R528 PolarHBondContact OE2-NH2 2.76Å
523	D	91.8	Very high	92.7	Very high	53 Å²	53	37.5 Å²	37.5	28%	0.283	21%	0.208	S	C	.	.	H	α-helix	trans	-63.2	-45.8	172	179.1	39.8	0	0	0	111.4	Y347 K348 D519 G520 I521	Y347-D523 WeakPolarHBondContact CE1-OD2 3.2Å; Y347-D523 VanDerWaalsContact CZ-OD2 3.3Å; Y347-D523 PolarHBondContact OH-OD2 2.85Å; K348-D523 WeakPolarHBondContact CD-O 3.36Å; K348-D523 PolarHBondContact NZ-O 3.34Å; K348-D523 IonicContact NZ-OD1 3.17Å; K348-D523 PolarHBondContact NZ-OD1 2.72Å; D519-D523 PolarHBondContact O-N 3.43Å; G520-D523 PolarHBondContact O-N 2.88Å; I521-D523 VanDerWaalsContact C-N 3.28Å; I521-D523 PolarHBondContact O-N 3.04Å
524	M	92.7	Very high	92.8	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-55	179.3	-75.2	-174.4	-72.2	0	0	113.2	I129 Q132 Y133 Y347 K348 G520 I521	I129-M524 HydrophobicContact CD1-CE 3.37Å; I129-M524 HydrophobicContact CD1-SD 3.89Å; I129-M524 HydrophobicContact CG1-CE 3.53Å; Q132-M524 HydrophobicContact CB-SD 4.41Å; Q132-M524 HydrophobicContact CG-SD 3.99Å; Y133-M524 VanDerWaalsContact CA-SD 3.56Å; Y133-M524 HydrophobicContact CD2-CE 3.92Å; Y133-M524 HydrophobicContact CD2-CG 4.47Å; Y133-M524 HydrophobicContact CD2-SD 3.99Å; Y133-M524 HydrophobicContact CG-CE 4.21Å; Y133-M524 HydrophobicContact CG-SD 4.38Å; Y347-M524 HydrophobicContact CD1-CG 4.13Å; Y347-M524 HydrophobicContact CD2-CG 4.09Å; Y347-M524 HydrophobicContact CD2-SD 4.47Å; Y347-M524 HydrophobicContact CE1-CG 3.74Å; Y347-M524 HydrophobicContact CE2-CG 3.69Å; Y347-M524 HydrophobicContact CE2-SD 4.21Å; Y347-M524 HydrophobicContact CG-CG 4.3Å; Y347-M524 WeakPolarHBondContact O-CB 3.46Å; Y347-M524 WeakPolarHBondContact O-CG 3.24Å; K348-M524 WeakPolarHBondContact CA-O 3.44Å; K348-M524 VanDerWaalsContact CD-O 3.22Å; K348-M524 WeakPolarHBondContact CD-O 3.48Å; G520-M524 WeakPolarHBondContact O-CE 3.36Å; G520-M524 WeakPolarHBondContact O-CG 3.35Å; G520-M524 PolarHBondContact O-N 3.18Å; I521-M524 HydrophobicContact CG1-CE 4.31Å; I521-M524 PolarHBondContact O-N 3.46Å
525	I	94.6	Very high	93.1	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-101.6	-8.9	-168.3	75.6	-178.7	0	0	0	113.9	Y349 I521 Y527	Y349-I525 WeakPolarHBondContact O-CG2 3.45Å; I521-I525 HydrophobicContact CG2-CD1 3.54Å; I521-I525 HydrophobicContact CG2-CG1 3.87Å; I521-I525 WeakPolarHBondContact O-CG1 3.38Å; I521-I525 PolarHBondContact O-N 2.76Å; I525-Y527 HydrophobicContact CB-CD1 4.47Å; I525-Y527 HydrophobicContact CB-CE1 4.11Å; I525-Y527 HydrophobicContact CD1-CD1 4.17Å; I525-Y527 HydrophobicContact CD1-CD2 4.2Å; I525-Y527 HydrophobicContact CD1-CE1 3.7Å; I525-Y527 HydrophobicContact CD1-CE2 3.76Å; I525-Y527 HydrophobicContact CD1-CG 4.38Å; I525-Y527 VanDerWaalsContact CD1-CZ 3.47Å; I525-Y527 HydrophobicContact CG1-CD1 3.82Å; I525-Y527 HydrophobicContact CG1-CE1 3.68Å; I525-Y527 HydrophobicContact CG1-CE2 4.45Å; I525-Y527 HydrophobicContact CG1-CG 4.24Å; I525-Y527 VanDerWaalsContact CG1-O 3.26Å; I525-Y527 WeakPolarHBondContact CG1-O 3.43Å; I525-Y527 WeakPolarHBondContact O-CD1 3.22Å
526	G	93.1	Very high	93.3	Very high	62 Å²	62	42.3 Å²	42.3	64%	0.639	22%	0.217	S	C	*	.	S	Bend	trans	87.8	2.9	178.5	0	0	0	0	0	115.3	E522	E522-G526 CarbonylContact O-C 3.55Å; E522-G526 WeakPolarHBondContact O-CA 3.32Å; E522-G526 PolarHBondContact O-N 2.8Å
527	Y	94.3	Very high	93.7	Very high	80 Å²	80	40.8 Å²	40.8	31%	0.314	21%	0.208	S	C	.	.	S	Bend	trans	-156.4	156.5	177.8	63.9	-82.8	0	0	0	111.2	N350 Y352 I525	N350-Y527 PolarHBondContact ND2-OH 3.2Å; N350-Y527 PolarHBondContact OD1-OH 3.06Å; Y352-Y527 AromaticContact CD1-CE2 3.98Å; Y352-Y527 HydrophobicContact CD1-CE2 3.98Å; Y352-Y527 WeakPolarHBondContact CD1-OH 3.17Å; Y352-Y527 HydrophobicContact CE1-CE2 4.48Å; I525-Y527 HydrophobicContact CB-CD1 4.47Å; I525-Y527 HydrophobicContact CB-CE1 4.11Å; I525-Y527 HydrophobicContact CD1-CD1 4.17Å; I525-Y527 HydrophobicContact CD1-CD2 4.2Å; I525-Y527 HydrophobicContact CD1-CE1 3.7Å; I525-Y527 HydrophobicContact CD1-CE2 3.76Å; I525-Y527 HydrophobicContact CD1-CG 4.38Å; I525-Y527 VanDerWaalsContact CD1-CZ 3.47Å; I525-Y527 HydrophobicContact CG1-CD1 3.82Å; I525-Y527 HydrophobicContact CG1-CE1 3.68Å; I525-Y527 HydrophobicContact CG1-CE2 4.45Å; I525-Y527 HydrophobicContact CG1-CG 4.24Å; I525-Y527 VanDerWaalsContact CG1-O 3.26Å; I525-Y527 WeakPolarHBondContact CG1-O 3.43Å; I525-Y527 WeakPolarHBondContact O-CD1 3.22Å
528	R	93.8	Very high	93.9	Very high	101 Å²	101	41.4 Å²	41.4	38%	0.381	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-83.6	133.2	172.6	-67.6	-176.5	-168.9	-126.6	-8	111.2	Y518 D519 E522	Y518-R528 HydrophobicContact CD1-CB 4.07Å; Y518-R528 HydrophobicContact CD1-CG 4.28Å; D519-R528 VanDerWaalsContact CG-NH2 3.31Å; D519-R528 IonicContact OD1-CZ 3.91Å; D519-R528 IonicContact OD1-NH1 2.8Å; D519-R528 PolarHBondContact OD1-NH1 3.14Å; D519-R528 IonicContact OD1-NH2 3.23Å; D519-R528 PolarHBondContact OD1-NH2 3.33Å; D519-R528 IonicContact OD2-NH2 2.7Å; E522-R528 HydrophobicContact CB-CG 3.88Å; E522-R528 HydrophobicContact CG-CG 4.26Å; E522-R528 IonicContact OE2-CZ 2.7Å; E522-R528 VanDerWaalsContact OE2-CZ 3.25Å; E522-R528 IonicContact OE2-NE 3.43Å; E522-R528 PolarHBondContact OE2-NE 3.25Å; E522-R528 IonicContact OE2-NH2 2.87Å; E522-R528 PolarHBondContact OE2-NH2 2.76Å
529	P	93.6	Very high	94	Very high	7 Å²	7	44.3 Å²	44.3	5%	0.045	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-57.6	163.7	166.9	-25.3	35.9	0	0	0	112.4	F125 Y352 Y518 I521	F125-P529 HydrophobicContact CE1-CG 4.01Å; F125-P529 HydrophobicContact CZ-CG 4.21Å; Y352-P529 HydrophobicContact CD2-CB 3.97Å; Y352-P529 HydrophobicContact CD2-CG 3.97Å; Y352-P529 HydrophobicContact CE2-CB 3.71Å; Y352-P529 HydrophobicContact CE2-CG 4.24Å; Y352-P529 HydrophobicContact CG-CG 4.41Å; Y518-P529 VanDerWaalsContact CE1-O 3.28Å; Y518-P529 WeakPolarHBondContact CE1-O 3.44Å; I521-P529 HydrophobicContact CD1-CG 4.42Å; I521-P529 HydrophobicContact CG2-CG 3.77Å
530	G	92.1	Very high	94.2	Very high	26 Å²	26	46.4 Å²	46.4	27%	0.268	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-58.3	149.7	175.9	0	0	0	0	0	112.1	Y518 W532 M533	Y518-G530 PolarHBondContact OH-O 3.22Å; G530-W532 PolarHBondContact O-N 3.46Å; G530-M533 PolarHBondContact O-N 3.39Å
531	P	93.3	Very high	94.5	Very high	87 Å²	87	46.3 Å²	46.3	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-59.2	-23.7	-177.2	-25.9	34.4	0	0	0	114.6	M533 K534 Y535	P531-M533 PolarHBondContact O-N 3.4Å; P531-K534 WeakPolarHBondContact O-CB 3.3Å; P531-K534 PolarHBondContact O-N 3.33Å; P531-Y535 HydrophobicContact CB-CD2 4.24Å; P531-Y535 HydrophobicContact CB-CE2 3.98Å; P531-Y535 WeakPolarHBondContact O-CD2 3.48Å; P531-Y535 PolarHBondContact O-N 2.71Å; P531-Y535 VanDerWaalsContact O-N 3.14Å
532	W	95.1	Very high	94.5	Very high	91 Å²	91	47 Å²	47	35%	0.345	25%	0.247	S	C	.	.	H	α-helix	trans	-54.9	-35.3	178.3	73.1	-91	0	0	0	112.4	F117 P122 M356 G530 Y535 S536	F117-W532 WeakPolarHBondContact O-CZ3 3.1Å; P122-W532 HydrophobicContact CG-CZ3 3.82Å; M356-W532 HydrophobicContact SD-CH2 4.22Å; M356-W532 HydrophobicContact SD-CZ2 4.07Å; G530-W532 PolarHBondContact O-N 3.46Å; W532-Y535 PolarHBondContact O-N 3.16Å; W532-S536 WeakPolarHBondContact O-CB 3.48Å; W532-S536 PolarHBondContact O-N 3Å; W532-S536 PolarHBondContact O-OG 3.23Å
533	M	94.9	Very high	94.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.3	-44	-179.5	-162.7	70.3	79.5	0	0	111.7	P122 F125 Y352 M356 Y518 G530 P531 S536 W537	P122-M533 WeakPolarHBondContact CA-SD 3.48Å; P122-M533 HydrophobicContact CB-SD 3.67Å; P122-M533 HydrophobicContact CG-SD 3.86Å; F125-M533 HydrophobicContact CB-CE 4.42Å; F125-M533 HydrophobicContact CD1-CE 3.88Å; F125-M533 HydrophobicContact CD1-CG 3.96Å; F125-M533 HydrophobicContact CD1-SD 4.17Å; F125-M533 HydrophobicContact CE1-CG 4.4Å; F125-M533 HydrophobicContact CG-CE 4.43Å; Y352-M533 HydrophobicContact CD2-CE 4.24Å; Y352-M533 HydrophobicContact CE2-CE 3.57Å; M356-M533 HydrophobicContact CE-CE 3.76Å; M356-M533 HydrophobicContact SD-CE 4.4Å; Y518-M533 WeakPolarHBondContact OH-CB 3.32Å; G530-M533 PolarHBondContact O-N 3.39Å; P531-M533 PolarHBondContact O-N 3.4Å; M533-S536 WeakPolarHBondContact O-CB 3.46Å; M533-S536 PolarHBondContact O-N 3.01Å; M533-W537 HydrophobicContact CG-CD2 4.31Å; M533-W537 HydrophobicContact CG-CH2 3.65Å; M533-W537 HydrophobicContact CG-CZ2 3.33Å; M533-W537 HydrophobicContact CG-CZ3 4.26Å; M533-W537 VanDerWaalsContact O-CD2 3.28Å; M533-W537 PolarHBondContact O-N 2.8Å; M533-W537 VanDerWaalsContact O-N 3.09Å; M533-W537 HydrophobicContact SD-CZ2 4.18Å
534	K	93.7	Very high	94.6	Very high	56 Å²	56	46.9 Å²	46.9	24%	0.243	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-47.5	173.9	-174.4	179.1	177.2	-172.1	0	111.5	D515 Y518 P531 S536 W537 A538	D515-K534 IonicContact OD1-NZ 2.66Å; D515-K534 PolarHBondContact OD1-NZ 2.83Å; D515-K534 IonicContact OD2-NZ 3.69Å; D515-K534 PolarHBondContact OD2-NZ 3.39Å; Y518-K534 HydrophobicContact CD2-CB 4.4Å; Y518-K534 HydrophobicContact CE2-CB 3.56Å; Y518-K534 HydrophobicContact CE2-CG 4.3Å; Y518-K534 WeakPolarHBondContact OH-CB 3.27Å; Y518-K534 PolarHBondContact OH-N 3.07Å; P531-K534 WeakPolarHBondContact O-CB 3.3Å; P531-K534 PolarHBondContact O-N 3.33Å; K534-S536 VanDerWaalsContact C-N 3.29Å; K534-S536 PolarHBondContact O-N 2.89Å; K534-W537 PolarHBondContact O-N 3.13Å; K534-A538 VanDerWaalsContact O-CB 3.3Å; K534-A538 WeakPolarHBondContact O-CB 3.38Å; K534-A538 PolarHBondContact O-N 2.85Å
535	Y	95.9	Very high	94.6	Very high	146 Å²	146	46.9 Å²	46.9	57%	0.573	25%	0.252	S	S	*	.	H	α-helix	trans	-66.3	-33.7	179.2	-70.6	-61.3	0	0	0	112.3	P531 W532 A538 V539 I540	P531-Y535 HydrophobicContact CB-CD2 4.24Å; P531-Y535 HydrophobicContact CB-CE2 3.98Å; P531-Y535 WeakPolarHBondContact O-CD2 3.48Å; P531-Y535 PolarHBondContact O-N 2.71Å; P531-Y535 VanDerWaalsContact O-N 3.14Å; W532-Y535 PolarHBondContact O-N 3.16Å; Y535-A538 PolarHBondContact O-N 3.34Å; Y535-V539 PolarHBondContact O-N 3.2Å; Y535-I540 PolarHBondContact O-N 2.88Å
536	S	96.5	Very high	94.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	27%	0.265	C	S	.	.	I	π-helix	trans	-60.6	-49.5	173	-67.2	0	0	0	0	111.4	G118 W532 M533 K534 I540 T541	G118-S536 WeakPolarHBondContact O-CB 3.47Å; W532-S536 WeakPolarHBondContact O-CB 3.48Å; W532-S536 PolarHBondContact O-N 3Å; W532-S536 PolarHBondContact O-OG 3.23Å; M533-S536 WeakPolarHBondContact O-CB 3.46Å; M533-S536 PolarHBondContact O-N 3.01Å; K534-S536 VanDerWaalsContact C-N 3.29Å; K534-S536 PolarHBondContact O-N 2.89Å; S536-I540 PolarHBondContact O-N 3.33Å; S536-T541 WeakPolarHBondContact O-CB 3.45Å; S536-T541 PolarHBondContact O-N 3.38Å; S536-T541 PolarHBondContact O-OG1 3.46Å
537	W	96.2	Very high	94.2	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.246	C	C	.	.	I	π-helix	trans	-65.6	-41.3	176.4	-56.3	-36.6	0	0	0	113.2	P122 F125 L126 C505 A509 L517 Y518 I521 M533 K534 P542	P122-W537 PolarHBondContact O-NE1 3.19Å; F125-W537 HydrophobicContact CD1-CH2 4Å; F125-W537 AromaticContact CD1-CZ2 3.68Å; F125-W537 HydrophobicContact CD1-CZ2 3.68Å; F125-W537 AromaticContact CE1-CH2 3.95Å; F125-W537 HydrophobicContact CE1-CH2 3.95Å; F125-W537 HydrophobicContact CE1-CZ2 4.13Å; L126-W537 HydrophobicContact CB-CZ2 4.03Å; L126-W537 HydrophobicContact CD1-CD2 4.37Å; L126-W537 HydrophobicContact CD1-CH2 4.46Å; L126-W537 HydrophobicContact CD1-CZ2 4.13Å; C505-W537 WeakPolarHBondContact CB-O 3.43Å; A509-W537 HydrophobicContact CB-CB 4.45Å; L517-W537 HydrophobicContact CD2-CE3 4.2Å; L517-W537 HydrophobicContact CD2-CH2 3.94Å; L517-W537 HydrophobicContact CD2-CZ3 3.62Å; L517-W537 HydrophobicContact CG-CZ3 4.38Å; Y518-W537 HydrophobicContact CD2-CZ3 4.03Å; Y518-W537 HydrophobicContact CE2-CE3 4.23Å; Y518-W537 HydrophobicContact CE2-CH2 4.31Å; Y518-W537 AromaticContact CE2-CZ3 3.55Å; Y518-W537 HydrophobicContact CE2-CZ3 3.55Å; I521-W537 HydrophobicContact CD1-CH2 3.99Å; I521-W537 HydrophobicContact CD1-CZ3 4.41Å; M533-W537 HydrophobicContact CG-CD2 4.31Å; M533-W537 HydrophobicContact CG-CH2 3.65Å; M533-W537 HydrophobicContact CG-CZ2 3.33Å; M533-W537 HydrophobicContact CG-CZ3 4.26Å; M533-W537 VanDerWaalsContact O-CD2 3.28Å; M533-W537 PolarHBondContact O-N 2.8Å; M533-W537 VanDerWaalsContact O-N 3.09Å; M533-W537 HydrophobicContact SD-CZ2 4.18Å; K534-W537 PolarHBondContact O-N 3.13Å; W537-P542 VanDerWaalsContact O-CD 3.29Å; W537-P542 WeakPolarHBondContact O-CD 3.39Å; W537-P542 WeakPolarHBondContact O-CG 3.37Å
538	A	95.9	Very high	93.9	Very high	17 Å²	17	43.5 Å²	43.5	14%	0.14	23%	0.233	C	C	.	.	I	π-helix	trans	-74.9	-35.7	-173.3	0	0	0	0	0	113.6	A509 W510 K534 Y535	A509-A538 HydrophobicContact CB-CB 3.85Å; W510-A538 HydrophobicContact CZ2-CB 4.43Å; W510-A538 PolarHBondContact NE1-O 3.3Å; K534-A538 VanDerWaalsContact O-CB 3.3Å; K534-A538 WeakPolarHBondContact O-CB 3.38Å; K534-A538 PolarHBondContact O-N 2.85Å; Y535-A538 PolarHBondContact O-N 3.34Å
539	V	96.1	Very high	93.5	Very high	74 Å²	74	40.5 Å²	40.5	45%	0.448	22%	0.223	S	C	.	.	I	π-helix	trans	-132.7	-54.7	-168.5	-176.2	0	0	0	0	112.4	Y535 P542 V543	Y535-V539 PolarHBondContact O-N 3.2Å; V539-P542 WeakPolarHBondContact O-CD 3.24Å; V539-V543 HydrophobicContact CG1-CG2 4.33Å; V539-V543 WeakPolarHBondContact O-CB 3.38Å; V539-V543 WeakPolarHBondContact O-CG2 3.4Å; V539-V543 PolarHBondContact O-N 3.04Å
540	I	96.4	Very high	93.3	Very high	70 Å²	70	44.5 Å²	44.5	36%	0.359	24%	0.243	S	C	.	.	I	π-helix	trans	-66.1	-53.2	-168.3	-52	175.7	0	0	0	111.1	Y535 S536 V543 L544	Y535-I540 PolarHBondContact O-N 2.88Å; S536-I540 PolarHBondContact O-N 3.33Å; I540-V543 PolarHBondContact O-N 2.63Å; I540-L544 HydrophobicContact CG2-CD1 3.82Å; I540-L544 HydrophobicContact CG2-CG 4.24Å; I540-L544 WeakPolarHBondContact O-CB 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.18Å; I540-L544 PolarHBondContact O-N 2.81Å
541	T	95.6	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-51.1	178.9	-60.5	0	0	0	0	111.8	G118 S119 V123 C505 S536 V543 L544 C545	G118-T541 PolarHBondContact O-OG1 2.93Å; G118-T541 VanDerWaalsContact O-OG1 3.11Å; S119-T541 WeakPolarHBondContact CA-OG1 3.42Å; S119-T541 VanDerWaalsContact OG-CG2 3.31Å; S119-T541 WeakPolarHBondContact OG-CG2 3.38Å; V123-T541 HydrophobicContact CG2-CG2 3.79Å; C505-T541 HydrophobicContact CB-CG2 4.37Å; C505-T541 WeakPolarHBondContact SG-CG2 3.39Å; S536-T541 WeakPolarHBondContact O-CB 3.45Å; S536-T541 PolarHBondContact O-N 3.38Å; S536-T541 PolarHBondContact O-OG1 3.46Å; T541-V543 VanDerWaalsContact C-N 3.33Å; T541-V543 PolarHBondContact O-N 2.87Å; T541-L544 PolarHBondContact O-N 3.24Å; T541-C545 WeakPolarHBondContact O-CB 3.37Å; T541-C545 PolarHBondContact O-N 3.44Å; T541-C545 PolarHBondContact O-SG 3.2Å
542	P	95.5	Very high	92.5	Very high	14 Å²	14	44.9 Å²	44.9	9%	0.091	23%	0.231	C	C	.	.	H	α-helix	trans	-55.9	-43.3	176.5	-28.5	36.1	0	0	0	113.8	F502 C505 W537 V539 C545 V546	F502-P542 HydrophobicContact CD2-CB 4.03Å; F502-P542 HydrophobicContact CE2-CB 4.19Å; C505-P542 HydrophobicContact CB-CG 4.09Å; W537-P542 VanDerWaalsContact O-CD 3.29Å; W537-P542 WeakPolarHBondContact O-CD 3.39Å; W537-P542 WeakPolarHBondContact O-CG 3.37Å; V539-P542 WeakPolarHBondContact O-CD 3.24Å; P542-C545 PolarHBondContact O-N 3.4Å; P542-V546 WeakPolarHBondContact O-CB 3.37Å; P542-V546 VanDerWaalsContact O-CG2 3.3Å; P542-V546 WeakPolarHBondContact O-CG2 3.25Å; P542-V546 PolarHBondContact O-N 2.86Å
543	V	95.2	Very high	92	Very high	98 Å²	98	44.5 Å²	44.5	59%	0.594	24%	0.235	S	C	*	.	H	α-helix	trans	-65.3	-45.6	178.9	169.8	0	0	0	0	111.3	V539 I540 T541 C545 G547	V539-V543 HydrophobicContact CG1-CG2 4.33Å; V539-V543 WeakPolarHBondContact O-CB 3.38Å; V539-V543 WeakPolarHBondContact O-CG2 3.4Å; V539-V543 PolarHBondContact O-N 3.04Å; I540-V543 PolarHBondContact O-N 2.63Å; T541-V543 VanDerWaalsContact C-N 3.33Å; T541-V543 PolarHBondContact O-N 2.87Å; V543-C545 VanDerWaalsContact C-N 3.35Å; V543-C545 PolarHBondContact O-N 2.76Å; V543-G547 PolarHBondContact O-N 2.76Å
544	L	92.6	Very high	91.6	Very high	31 Å²	31	49.5 Å²	49.5	16%	0.162	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-41.9	176.9	-72.2	178	0	0	0	111.7	F115 I540 T541 C548	F115-L544 HydrophobicContact CD1-CB 4.48Å; F115-L544 HydrophobicContact CD1-CD1 4.1Å; F115-L544 HydrophobicContact CE1-CB 3.81Å; F115-L544 HydrophobicContact CE1-CD1 4.13Å; F115-L544 HydrophobicContact CE1-CD2 4.21Å; F115-L544 HydrophobicContact CE1-CG 4.28Å; F115-L544 HydrophobicContact CZ-CB 4.35Å; F115-L544 HydrophobicContact CZ-CD2 4.02Å; I540-L544 HydrophobicContact CG2-CD1 3.82Å; I540-L544 HydrophobicContact CG2-CG 4.24Å; I540-L544 WeakPolarHBondContact O-CB 3.31Å; I540-L544 WeakPolarHBondContact O-CG 3.18Å; I540-L544 PolarHBondContact O-N 2.81Å; T541-L544 PolarHBondContact O-N 3.24Å; L544-C548 WeakPolarHBondContact O-CB 3.45Å; L544-C548 PolarHBondContact O-N 3.09Å; L544-C548 PolarHBondContact O-SG 2.92Å
545	C	91.3	Very high	91.1	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-51	179	-67.2	0	0	0	0	111.8	L498 F502 T541 P542 V543 G547 C548 F549	L498-C545 HydrophobicContact CD2-CB 4.35Å; F502-C545 HydrophobicContact CB-CB 4.15Å; T541-C545 WeakPolarHBondContact O-CB 3.37Å; T541-C545 PolarHBondContact O-N 3.44Å; T541-C545 PolarHBondContact O-SG 3.2Å; P542-C545 PolarHBondContact O-N 3.4Å; V543-C545 VanDerWaalsContact C-N 3.35Å; V543-C545 PolarHBondContact O-N 2.76Å; C545-G547 PolarHBondContact O-N 2.81Å; C545-C548 PolarHBondContact O-N 2.96Å; C545-F549 WeakPolarHBondContact O-CB 3.22Å; C545-F549 PolarHBondContact O-N 2.85Å
546	V	91.3	Very high	90.6	Very high	61 Å²	61	49.1 Å²	49.1	37%	0.37	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-42.7	179.3	171.8	0	0	0	0	111	F502 P542 F549 I550	F502-V546 HydrophobicContact CD2-CG2 3.63Å; F502-V546 HydrophobicContact CE2-CG2 3.73Å; F502-V546 HydrophobicContact CG-CG2 4.44Å; P542-V546 WeakPolarHBondContact O-CB 3.37Å; P542-V546 VanDerWaalsContact O-CG2 3.3Å; P542-V546 WeakPolarHBondContact O-CG2 3.25Å; P542-V546 PolarHBondContact O-N 2.86Å; V546-F549 PolarHBondContact O-N 3.03Å; V546-I550 HydrophobicContact CG1-CD1 3.72Å; V546-I550 HydrophobicContact CG1-CG1 4.36Å; V546-I550 VanDerWaalsContact O-CG1 3.3Å; V546-I550 WeakPolarHBondContact O-CG1 3.29Å; V546-I550 PolarHBondContact O-N 3.25Å
547	G	89.8	Confident	90	Very high	23 Å²	23	53.7 Å²	53.7	24%	0.237	29%	0.293	C	S	.	.	H	α-helix	trans	-57.3	-54.8	175.8	0	0	0	0	0	111.6	V543 C545 F549 I550 F551	V543-G547 PolarHBondContact O-N 2.76Å; C545-G547 PolarHBondContact O-N 2.81Å; G547-F549 VanDerWaalsContact C-N 3.32Å; G547-F549 PolarHBondContact O-N 3.06Å; G547-I550 PolarHBondContact O-N 3.38Å; G547-F551 WeakPolarHBondContact O-CD2 3.47Å; G547-F551 WeakPolarHBondContact O-CG 3.44Å; G547-F551 PolarHBondContact O-N 2.97Å
548	C	86.8	Confident	89.5	Confident	7 Å²	7	56.6 Å²	56.6	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-39.2	178.6	-69.5	0	0	0	0	112.8	F115 L498 L544 C545 F551 S552	F115-C548 WeakPolarHBondContact CZ-SG 3.5Å; L498-C548 HydrophobicContact CD1-CB 3.62Å; L498-C548 HydrophobicContact CD2-CB 4.35Å; L544-C548 WeakPolarHBondContact O-CB 3.45Å; L544-C548 PolarHBondContact O-N 3.09Å; L544-C548 PolarHBondContact O-SG 2.92Å; C545-C548 PolarHBondContact O-N 2.96Å; C548-F551 PolarHBondContact O-N 3.21Å; C548-S552 VanDerWaalsContact O-CB 3.29Å; C548-S552 WeakPolarHBondContact O-CB 3.24Å; C548-S552 PolarHBondContact O-N 3.38Å; C548-S552 PolarHBondContact O-OG 2.55Å
549	F	86.5	Confident	89.1	Confident	39 Å²	39	56.5 Å²	56.5	17%	0.171	31%	0.309	C	S	.	.	H	α-helix	trans	-60.5	-50.9	177.2	-176.9	-95.4	0	0	0	110.9	V495 W499 C545 V546 G547 F551 S552 L553 M583	V495-F549 HydrophobicContact CG1-CD2 3.53Å; V495-F549 HydrophobicContact CG1-CE2 3.42Å; V495-F549 VanDerWaalsContact CG1-CE2 3.42Å; W499-F549 AromaticContact CE3-CE2 3.98Å; W499-F549 HydrophobicContact CE3-CE2 3.98Å; W499-F549 AromaticContact CE3-CZ 3.97Å; W499-F549 HydrophobicContact CE3-CZ 3.97Å; W499-F549 HydrophobicContact CZ3-CE1 4.48Å; W499-F549 HydrophobicContact CZ3-CZ 4.18Å; C545-F549 WeakPolarHBondContact O-CB 3.22Å; C545-F549 PolarHBondContact O-N 2.85Å; V546-F549 PolarHBondContact O-N 3.03Å; G547-F549 VanDerWaalsContact C-N 3.32Å; G547-F549 PolarHBondContact O-N 3.06Å; F549-F551 PolarHBondContact O-N 3.1Å; F549-S552 PolarHBondContact O-N 3.39Å; F549-S552 PolarHBondContact O-OG 3.26Å; F549-L553 HydrophobicContact CD1-CD1 4.03Å; F549-L553 HydrophobicContact CE1-CD1 3.5Å; F549-L553 HydrophobicContact CE1-CG 4.38Å; F549-L553 HydrophobicContact CZ-CD1 3.95Å; F549-L553 WeakPolarHBondContact O-CG 3.41Å; F549-L553 PolarHBondContact O-N 2.86Å; F549-L553 VanDerWaalsContact O-N 3.16Å; F549-M583 HydrophobicContact CE2-CE 3.57Å; F549-M583 HydrophobicContact CZ-CE 3.76Å
550	I	88.5	Confident	88.7	Confident	90 Å²	90	56 Å²	56	46%	0.462	31%	0.307	S	S	.	.	H	α-helix	trans	-59.7	-46.9	177	-67.9	169.4	0	0	0	110.6	V546 G547 S552 L553 V554	V546-I550 HydrophobicContact CG1-CD1 3.72Å; V546-I550 HydrophobicContact CG1-CG1 4.36Å; V546-I550 VanDerWaalsContact O-CG1 3.3Å; V546-I550 WeakPolarHBondContact O-CG1 3.29Å; V546-I550 PolarHBondContact O-N 3.25Å; G547-I550 PolarHBondContact O-N 3.38Å; I550-S552 VanDerWaalsContact C-N 3.32Å; I550-S552 PolarHBondContact O-N 2.84Å; I550-L553 PolarHBondContact O-N 2.49Å; I550-V554 HydrophobicContact CG2-CG2 4.29Å; I550-V554 WeakPolarHBondContact O-CG2 3.45Å; I550-V554 PolarHBondContact O-N 2.94Å
551	F	85.2	Confident	88.1	Confident	101 Å²	101	53.6 Å²	53.6	44%	0.443	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-38	179.3	-72.1	-57.2	0	0	0	112.8	P317 I321 G547 C548 F549 L553 V554 K555	P317-F551 HydrophobicContact CB-CD1 4.33Å; P317-F551 HydrophobicContact CB-CG 4.4Å; I321-F551 HydrophobicContact CD1-CB 3.89Å; I321-F551 HydrophobicContact CG1-CB 4.4Å; G547-F551 WeakPolarHBondContact O-CD2 3.47Å; G547-F551 WeakPolarHBondContact O-CG 3.44Å; G547-F551 PolarHBondContact O-N 2.97Å; C548-F551 PolarHBondContact O-N 3.21Å; F549-F551 PolarHBondContact O-N 3.1Å; F551-L553 VanDerWaalsContact C-N 3.28Å; F551-L553 PolarHBondContact O-N 2.75Å; F551-V554 PolarHBondContact O-N 3.43Å; F551-K555 WeakPolarHBondContact O-CB 2.94Å; F551-K555 PolarHBondContact O-N 3.48Å
552	S	83.4	Confident	87.2	Confident	20 Å²	20	58.1 Å²	58.1	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-63.1	-34.1	177.1	74.8	0	0	0	0	112.6	V495 C548 F549 I550 Y556	V495-S552 WeakPolarHBondContact CG2-OG 3.44Å; C548-S552 VanDerWaalsContact O-CB 3.29Å; C548-S552 WeakPolarHBondContact O-CB 3.24Å; C548-S552 PolarHBondContact O-N 3.38Å; C548-S552 PolarHBondContact O-OG 2.55Å; F549-S552 PolarHBondContact O-N 3.39Å; F549-S552 PolarHBondContact O-OG 3.26Å; I550-S552 VanDerWaalsContact C-N 3.32Å; I550-S552 PolarHBondContact O-N 2.84Å; S552-Y556 WeakPolarHBondContact O-CA 3.48Å; S552-Y556 WeakPolarHBondContact O-CB 3.26Å; S552-Y556 PolarHBondContact O-N 2.93Å
553	L	84.1	Confident	86.1	Confident	84 Å²	84	67 Å²	67	44%	0.44	35%	0.354	S	S	.	.	H	α-helix	trans	-74.1	-41.8	174.8	-65.2	178.1	0	0	0	111.8	F549 I550 F551 W576	F549-L553 HydrophobicContact CD1-CD1 4.03Å; F549-L553 HydrophobicContact CE1-CD1 3.5Å; F549-L553 HydrophobicContact CE1-CG 4.38Å; F549-L553 HydrophobicContact CZ-CD1 3.95Å; F549-L553 WeakPolarHBondContact O-CG 3.41Å; F549-L553 PolarHBondContact O-N 2.86Å; F549-L553 VanDerWaalsContact O-N 3.16Å; I550-L553 PolarHBondContact O-N 2.49Å; F551-L553 VanDerWaalsContact C-N 3.28Å; F551-L553 PolarHBondContact O-N 2.75Å; L553-W576 HydrophobicContact CD2-CH2 4.04Å
554	V	86.8	Confident	85.5	Confident	105 Å²	105	67.9 Å²	67.9	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-70.3	-37.5	-178.4	171.9	0	0	0	0	112.2	I550 F551	I550-V554 HydrophobicContact CG2-CG2 4.29Å; I550-V554 WeakPolarHBondContact O-CG2 3.45Å; I550-V554 PolarHBondContact O-N 2.94Å; F551-V554 PolarHBondContact O-N 3.43Å
555	K	83.6	Confident	85.3	Confident	124 Å²	124	68.1 Å²	68.1	54%	0.539	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	19.6	-178.4	-65.8	-66.9	-173.3	174.4	0	112.9	F551 V557	F551-K555 WeakPolarHBondContact O-CB 2.94Å; F551-K555 PolarHBondContact O-N 3.48Å; K555-V557 PolarHBondContact O-N 3.42Å
556	Y	85.5	Confident	85.4	Confident	69 Å²	69	72.9 Å²	72.9	27%	0.271	39%	0.388	S	S	.	.			trans	-58.1	128.4	179	172.5	-104.5	0	0	0	111.2	Y489 Y490 S552 P558 I572 W576	Y489-Y556 HydrophobicContact CE1-CE2 4.42Å; Y490-Y556 HydrophobicContact CE1-CE2 4.07Å; Y490-Y556 PolarHBondContact OH-OH 3.17Å; S552-Y556 WeakPolarHBondContact O-CA 3.48Å; S552-Y556 WeakPolarHBondContact O-CB 3.26Å; S552-Y556 PolarHBondContact O-N 2.93Å; Y556-P558 HydrophobicContact CE1-CG 4.26Å; Y556-I572 WeakPolarHBondContact OH-CG2 3.49Å; Y556-W576 AromaticContact CD2-CZ2 3.81Å; Y556-W576 HydrophobicContact CD2-CZ2 3.81Å; Y556-W576 HydrophobicContact CE1-CZ2 4.37Å; Y556-W576 AromaticContact CE2-CZ2 3.64Å; Y556-W576 HydrophobicContact CE2-CZ2 3.64Å; Y556-W576 HydrophobicContact CG-CZ2 4.25Å; Y556-W576 AromaticContact CZ-CZ2 3.93Å; Y556-W576 AromaticContact CZ-NE1 3.56Å; Y556-W576 PolarHBondContact OH-NE1 3.39Å
557	V	83.5	Confident	85.5	Confident	98 Å²	98	70.3 Å²	70.3	59%	0.594	37%	0.372	S	S	*	.			trans	-121.4	130.4	172.7	-179.4	0	0	0	0	107.8	Y489 K555	Y489-V557 PolarHBondContact OH-O 3.34Å; K555-V557 PolarHBondContact O-N 3.42Å
558	P	86.6	Confident	85.8	Confident	62 Å²	62	70.7 Å²	70.7	40%	0.403	37%	0.37	S	S	.	.			trans	-54.9	142.3	175.9	-26.5	35.1	0	0	0	112.5	Y556 I572	Y556-P558 HydrophobicContact CE1-CG 4.26Å; P558-I572 HydrophobicContact CB-CD1 4.07Å
559	L	87.3	Confident	86.2	Confident	16 Å²	16	77.1 Å²	77.1	8%	0.084	40%	0.404	C	S	.	.			trans	-58.6	137.4	175.9	177.5	65.3	0	0	0	110.9	Q485 L486 Y489 Y490 Y567	Q485-L559 HydrophobicContact CB-CD2 4.22Å; L486-L559 HydrophobicContact CD1-CD2 4.32Å; Y489-L559 HydrophobicContact CD1-CB 4.27Å; Y489-L559 HydrophobicContact CD2-CD1 3.71Å; Y489-L559 HydrophobicContact CE1-CB 4.47Å; Y489-L559 HydrophobicContact CE2-CD1 4.31Å; Y489-L559 HydrophobicContact CG-CB 4.4Å; Y489-L559 HydrophobicContact CG-CD1 3.81Å; Y489-L559 HydrophobicContact CG-CD2 4.4Å; Y489-L559 HydrophobicContact CG-CG 4.43Å; Y490-L559 HydrophobicContact CE2-CB 4.19Å; Y490-L559 HydrophobicContact CE2-CD2 4.29Å; L559-Y567 HydrophobicContact CB-CD2 4.29Å; L559-Y567 HydrophobicContact CB-CE2 4.5Å; L559-Y567 HydrophobicContact CD2-CD2 4.17Å; L559-Y567 HydrophobicContact CD2-CE1 4.16Å; L559-Y567 HydrophobicContact CD2-CE2 3.73Å; L559-Y567 HydrophobicContact CG-CD2 3.91Å; L559-Y567 HydrophobicContact CG-CE2 3.63Å; L559-Y567 VanDerWaalsContact O-CD2 3.25Å; L559-Y567 WeakPolarHBondContact O-CD2 3.38Å
560	T	87.6	Confident	86.6	Confident	64 Å²	64	81.4 Å²	81.4	39%	0.393	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.7	173.5	59.7	0	0	0	0	110.2	Y565 V566	T560-Y565 CarbonylContact C-O 3.56Å; T560-Y565 VanDerWaalsContact CA-O 3.27Å; T560-Y565 WeakPolarHBondContact CA-O 3.46Å; T560-Y565 WeakPolarHBondContact CB-O 3.44Å; T560-V566 HydrophobicContact CG2-CG2 4.44Å
561	Y	84.6	Confident	86.9	Confident	19 Å²	19	77.1 Å²	77.1	8%	0.075	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	131.7	173.8	-179.8	-88.5	0	0	0	110.4	L235 M481 Y482 Q485 K563 T564 Y565	L235-Y561 HydrophobicContact CD2-CE1 3.73Å; M481-Y561 HydrophobicContact CE-CE2 3.93Å; M481-Y561 HydrophobicContact CG-CD2 4.29Å; M481-Y561 HydrophobicContact CG-CE2 3.47Å; M481-Y561 VanDerWaalsContact CG-CE2 3.47Å; Y482-Y561 HydrophobicContact CD1-CG 4.24Å; Y482-Y561 AromaticContact CE1-CD1 3.96Å; Y482-Y561 HydrophobicContact CE1-CD1 3.96Å; Y482-Y561 HydrophobicContact CE1-CD2 4.5Å; Y482-Y561 AromaticContact CE1-CG 3.9Å; Y482-Y561 HydrophobicContact CE1-CG 3.9Å; Q485-Y561 HydrophobicContact CG-CD2 4.35Å; Q485-Y561 VanDerWaalsContact OE1-CD2 3.28Å; Y561-K563 PolarHBondContact O-N 3.21Å; Y561-T564 PolarHBondContact O-N 3.28Å; Y561-Y565 PolarHBondContact N-O 3.41Å; Y561-Y565 PolarHBondContact O-N 2.83Å
562	N	75.4	Confident	87.4	Confident	94 Å²	94	73.5 Å²	73.5	50%	0.503	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	33.2	178.5	-158.1	7.4	0	0	0	114.9	T564	N562-T564 PolarHBondContact O-N 3.42Å; N562-T564 PolarHBondContact O-OG1 3.02Å
563	K	73.3	Confident	87.9	Confident	200 Å²	200	74.1 Å²	74.1	87%	0.87	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	-7.3	-176.4	-56	175.5	-177	169.9	0	116.2	Y561	Y561-K563 PolarHBondContact O-N 3.21Å
564	T	81.9	Confident	88.4	Confident	117 Å²	117	74 Å²	74	72%	0.718	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-38.1	-173.7	51.4	0	0	0	0	112.1	Y561 N562	Y561-T564 PolarHBondContact O-N 3.28Å; N562-T564 PolarHBondContact O-N 3.42Å; N562-T564 PolarHBondContact O-OG1 3.02Å
565	Y	88.3	Confident	88.7	Confident	36 Å²	36	69 Å²	69	14%	0.141	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.6	-178.8	178.5	-94.4	0	0	0	111.2	P237 G238 I239 Y482 T560 Y561 Y567	P237-Y565 WeakPolarHBondContact O-CE2 3.41Å; G238-Y565 VanDerWaalsContact CA-CE2 3.48Å; G238-Y565 WeakPolarHBondContact CA-OH 3.43Å; I239-Y565 WeakPolarHBondContact CG2-OH 3.31Å; I239-Y565 PolarHBondContact N-OH 3.44Å; Y482-Y565 AromaticContact CD1-CD1 3.76Å; Y482-Y565 HydrophobicContact CD1-CD1 3.76Å; Y482-Y565 AromaticContact CD1-CE1 3.65Å; Y482-Y565 HydrophobicContact CD1-CE1 3.65Å; Y482-Y565 HydrophobicContact CD1-CG 4.46Å; Y482-Y565 AromaticContact CE1-CD1 3.55Å; Y482-Y565 HydrophobicContact CE1-CD1 3.55Å; Y482-Y565 HydrophobicContact CE1-CD2 4.25Å; Y482-Y565 AromaticContact CE1-CE1 3.77Å; Y482-Y565 HydrophobicContact CE1-CE1 3.77Å; Y482-Y565 HydrophobicContact CE1-CE2 4.46Å; Y482-Y565 AromaticContact CE1-CG 3.8Å; Y482-Y565 HydrophobicContact CE1-CG 3.8Å; Y482-Y565 HydrophobicContact CG-CE1 4.39Å; T560-Y565 CarbonylContact C-O 3.56Å; T560-Y565 VanDerWaalsContact CA-O 3.27Å; T560-Y565 WeakPolarHBondContact CA-O 3.46Å; T560-Y565 WeakPolarHBondContact CB-O 3.44Å; Y561-Y565 PolarHBondContact N-O 3.41Å; Y561-Y565 PolarHBondContact O-N 2.83Å; Y565-Y567 HydrophobicContact CD1-CD2 4.02Å; Y565-Y567 AromaticContact CD1-CE2 3.99Å; Y565-Y567 HydrophobicContact CD1-CE2 3.99Å; Y565-Y567 HydrophobicContact CE1-CD1 4.23Å; Y565-Y567 AromaticContact CE1-CD2 3.92Å; Y565-Y567 HydrophobicContact CE1-CD2 3.92Å; Y565-Y567 HydrophobicContact CE1-CE1 4.36Å; Y565-Y567 HydrophobicContact CE1-CE2 4.04Å; Y565-Y567 HydrophobicContact CE1-CG 4.03Å
566	V	93.1	Very high	89.2	Confident	102 Å²	102	66.8 Å²	66.8	62%	0.618	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	128.4	177	-178.7	0	0	0	0	108.9	T560	T560-V566 HydrophobicContact CG2-CG2 4.44Å
567	Y	94.3	Very high	89.7	Confident	6 Å²	6	66.9 Å²	66.9	2%	0.024	36%	0.36	C	S	.	.			trans	-70.3	141.2	-179.5	-79.6	-103.9	0	0	0	111.6	I239 Y482 Q485 L559 Y565 A571	I239-Y567 HydrophobicContact CD1-CD1 4.46Å; I239-Y567 HydrophobicContact CD1-CE1 4.27Å; Y482-Y567 VanDerWaalsContact CA-OH 3.31Å; Y482-Y567 WeakPolarHBondContact CA-OH 3.22Å; Y482-Y567 WeakPolarHBondContact O-CE1 3.26Å; Y482-Y567 PolarHBondContact O-OH 3.16Å; Q485-Y567 WeakPolarHBondContact CB-OH 3.04Å; Q485-Y567 PolarHBondContact OE1-OH 2.94Å; L559-Y567 HydrophobicContact CB-CD2 4.29Å; L559-Y567 HydrophobicContact CB-CE2 4.5Å; L559-Y567 HydrophobicContact CD2-CD2 4.17Å; L559-Y567 HydrophobicContact CD2-CE1 4.16Å; L559-Y567 HydrophobicContact CD2-CE2 3.73Å; L559-Y567 HydrophobicContact CG-CD2 3.91Å; L559-Y567 HydrophobicContact CG-CE2 3.63Å; L559-Y567 VanDerWaalsContact O-CD2 3.25Å; L559-Y567 WeakPolarHBondContact O-CD2 3.38Å; Y565-Y567 HydrophobicContact CD1-CD2 4.02Å; Y565-Y567 AromaticContact CD1-CE2 3.99Å; Y565-Y567 HydrophobicContact CD1-CE2 3.99Å; Y565-Y567 HydrophobicContact CE1-CD1 4.23Å; Y565-Y567 AromaticContact CE1-CD2 3.92Å; Y565-Y567 HydrophobicContact CE1-CD2 3.92Å; Y565-Y567 HydrophobicContact CE1-CE1 4.36Å; Y565-Y567 HydrophobicContact CE1-CE2 4.04Å; Y565-Y567 HydrophobicContact CE1-CG 4.03Å; Y567-A571 HydrophobicContact CD1-CB 4.09Å
568	P	95.2	Very high	90.2	Very high	32 Å²	32	63.4 Å²	63.4	21%	0.208	34%	0.338	C	S	.	.			trans	-67.7	153	174.3	28.4	-34.1	0	0	0	111.3	I239 W570 A571 I572	I239-P568 HydrophobicContact CG2-CG 3.65Å; P568-W570 HydrophobicContact CG-CD2 4.43Å; P568-W570 HydrophobicContact CG-CG 4.49Å; P568-W570 HydrophobicContact CG-CZ2 4.2Å; P568-W570 PolarHBondContact O-N 3.41Å; P568-W570 VanDerWaalsContact O-N 3.15Å; P568-A571 HydrophobicContact CG-CB 3.87Å; P568-A571 WeakPolarHBondContact O-CB 3.41Å; P568-A571 PolarHBondContact O-N 3.3Å; P568-I572 PolarHBondContact O-N 3.33Å; P568-I572 VanDerWaalsContact O-N 3.15Å
569	N	94.9	Very high	90.5	Very high	142 Å²	142	60.6 Å²	60.6	76%	0.759	32%	0.32	S	S	*	.	H	α-helix	trans	-57.2	-34.2	-175.9	-70.4	-24.1	0	0	0	113.6	A571 I572 G573	N569-A571 VanDerWaalsContact C-N 3.32Å; N569-A571 PolarHBondContact O-N 2.85Å; N569-I572 PolarHBondContact O-N 2.83Å; N569-G573 PolarHBondContact O-N 3.1Å
570	W	95.6	Very high	90.9	Very high	129 Å²	129	63.3 Å²	63.3	49%	0.489	33%	0.334	S	S	.	.	H	α-helix	trans	-65.7	-36.2	177.2	72.2	-105	0	0	0	111.6	I239 D240 P568 G573 L574	I239-W570 HydrophobicContact CD1-CH2 4.03Å; I239-W570 HydrophobicContact CG1-CH2 4.04Å; I239-W570 HydrophobicContact CG1-CZ2 4.48Å; I239-W570 HydrophobicContact CG2-CH2 4.03Å; I239-W570 HydrophobicContact CG2-CZ2 3.67Å; D240-W570 WeakPolarHBondContact OD1-CZ2 3.41Å; D240-W570 PolarHBondContact OD1-NE1 2.9Å; P568-W570 HydrophobicContact CG-CD2 4.43Å; P568-W570 HydrophobicContact CG-CG 4.49Å; P568-W570 HydrophobicContact CG-CZ2 4.2Å; P568-W570 PolarHBondContact O-N 3.41Å; P568-W570 VanDerWaalsContact O-N 3.15Å; W570-G573 PolarHBondContact O-N 3.43Å; W570-L574 HydrophobicContact CZ3-CD2 4.29Å; W570-L574 PolarHBondContact O-N 3.16Å
571	A	95.5	Very high	91.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-71.5	-38.6	178.3	0	0	0	0	0	110.7	I239 L486 Y567 P568 N569 G573 L574 G575	I239-A571 HydrophobicContact CD1-CB 3.99Å; I239-A571 HydrophobicContact CG2-CB 4.19Å; L486-A571 WeakPolarHBondContact CD1-O 3.17Å; Y567-A571 HydrophobicContact CD1-CB 4.09Å; P568-A571 HydrophobicContact CG-CB 3.87Å; P568-A571 WeakPolarHBondContact O-CB 3.41Å; P568-A571 PolarHBondContact O-N 3.3Å; N569-A571 VanDerWaalsContact C-N 3.32Å; N569-A571 PolarHBondContact O-N 2.85Å; A571-G573 VanDerWaalsContact C-N 3.34Å; A571-L574 WeakPolarHBondContact O-CB 3.46Å; A571-L574 PolarHBondContact O-N 3.17Å; A571-G575 PolarHBondContact O-N 2.72Å
572	I	94.1	Very high	91.8	Very high	25 Å²	25	61.8 Å²	61.8	13%	0.128	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-44.2	171.2	-63.7	169.7	0	0	0	110.6	Y556 P558 P568 N569 L574 G575 W576	Y556-I572 WeakPolarHBondContact OH-CG2 3.49Å; P558-I572 HydrophobicContact CB-CD1 4.07Å; P568-I572 PolarHBondContact O-N 3.33Å; P568-I572 VanDerWaalsContact O-N 3.15Å; N569-I572 PolarHBondContact O-N 2.83Å; I572-L574 VanDerWaalsContact C-N 3.31Å; I572-L574 PolarHBondContact O-N 2.73Å; I572-G575 WeakPolarHBondContact O-CA 3.41Å; I572-G575 PolarHBondContact O-N 2.95Å; I572-G575 VanDerWaalsContact O-N 3.13Å; I572-W576 PolarHBondContact O-N 2.93Å
573	G	94.8	Very high	92.7	Very high	33 Å²	33	58.2 Å²	58.2	34%	0.34	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-39.4	174.6	0	0	0	0	0	113	N569 W570 A571 W576 S577	N569-G573 PolarHBondContact O-N 3.1Å; W570-G573 PolarHBondContact O-N 3.43Å; A571-G573 VanDerWaalsContact C-N 3.34Å; G573-W576 PolarHBondContact O-N 2.97Å; G573-S577 WeakPolarHBondContact O-CB 3.31Å; G573-S577 PolarHBondContact O-N 3.2Å; G573-S577 PolarHBondContact O-OG 3.37Å
574	L	94.8	Very high	93.8	Very high	80 Å²	80	52.6 Å²	52.6	42%	0.419	29%	0.288	S	S	.	.	H	α-helix	trans	-63.5	-43.1	172.2	-177.5	66.2	0	0	0	111.4	L486 W570 A571 I572 S577 L578	L486-L574 HydrophobicContact CD2-CB 4.11Å; L486-L574 HydrophobicContact CD2-CD2 3.77Å; L486-L574 HydrophobicContact CD2-CG 3.93Å; W570-L574 HydrophobicContact CZ3-CD2 4.29Å; W570-L574 PolarHBondContact O-N 3.16Å; A571-L574 WeakPolarHBondContact O-CB 3.46Å; A571-L574 PolarHBondContact O-N 3.17Å; I572-L574 VanDerWaalsContact C-N 3.31Å; I572-L574 PolarHBondContact O-N 2.73Å; L574-S577 WeakPolarHBondContact O-CB 3.13Å; L574-S577 PolarHBondContact O-N 3.01Å; L574-S577 VanDerWaalsContact O-N 3.15Å; L574-L578 WeakPolarHBondContact O-CG 3.21Å; L574-L578 PolarHBondContact O-N 3.29Å
575	G	93.7	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-51.6	174.1	0	0	0	0	0	112.5	Y490 A571 I572 S577 L578 A579	Y490-G575 WeakPolarHBondContact CB-O 3.48Å; A571-G575 PolarHBondContact O-N 2.72Å; I572-G575 WeakPolarHBondContact O-CA 3.41Å; I572-G575 PolarHBondContact O-N 2.95Å; I572-G575 VanDerWaalsContact O-N 3.13Å; G575-S577 VanDerWaalsContact C-N 3.26Å; G575-S577 PolarHBondContact O-N 2.64Å; G575-L578 WeakPolarHBondContact O-CB 3.3Å; G575-L578 PolarHBondContact O-N 3.29Å; G575-L578 VanDerWaalsContact O-N 3.09Å; G575-A579 PolarHBondContact O-N 3.21Å
576	W	93.4	Very high	94.9	Very high	79 Å²	79	46.2 Å²	46.2	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-34.2	175	-80.6	106.1	0	0	0	113.1	Y490 L553 Y556 I572 G573 L578 A579 L580	Y490-W576 HydrophobicContact CE1-CD2 4.4Å; Y490-W576 HydrophobicContact CE1-CG 4.46Å; Y490-W576 AromaticContact CE1-NE1 3.94Å; L553-W576 HydrophobicContact CD2-CH2 4.04Å; Y556-W576 AromaticContact CD2-CZ2 3.81Å; Y556-W576 HydrophobicContact CD2-CZ2 3.81Å; Y556-W576 HydrophobicContact CE1-CZ2 4.37Å; Y556-W576 AromaticContact CE2-CZ2 3.64Å; Y556-W576 HydrophobicContact CE2-CZ2 3.64Å; Y556-W576 HydrophobicContact CG-CZ2 4.25Å; Y556-W576 AromaticContact CZ-CZ2 3.93Å; Y556-W576 AromaticContact CZ-NE1 3.56Å; Y556-W576 PolarHBondContact OH-NE1 3.39Å; I572-W576 PolarHBondContact O-N 2.93Å; G573-W576 PolarHBondContact O-N 2.97Å; W576-L578 VanDerWaalsContact C-N 3.33Å; W576-A579 PolarHBondContact O-N 3.09Å; W576-L580 WeakPolarHBondContact O-CB 3.5Å; W576-L580 VanDerWaalsContact O-CG 3.24Å; W576-L580 WeakPolarHBondContact O-CG 3.49Å; W576-L580 PolarHBondContact O-N 3.14Å
577	S	95.3	Very high	95.1	Very high	71 Å²	71	43.6 Å²	43.6	50%	0.497	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-39	174.3	-57.3	0	0	0	0	111.7	G573 L574 G575 S581	G573-S577 WeakPolarHBondContact O-CB 3.31Å; G573-S577 PolarHBondContact O-N 3.2Å; G573-S577 PolarHBondContact O-OG 3.37Å; L574-S577 WeakPolarHBondContact O-CB 3.13Å; L574-S577 PolarHBondContact O-N 3.01Å; L574-S577 VanDerWaalsContact O-N 3.15Å; G575-S577 VanDerWaalsContact C-N 3.26Å; G575-S577 PolarHBondContact O-N 2.64Å; S577-S581 WeakPolarHBondContact O-CB 3.17Å; S577-S581 PolarHBondContact O-N 3.48Å
578	L	94.8	Very high	95.2	Very high	24 Å²	24	47.6 Å²	47.6	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-46.2	173.3	-66.7	169.2	0	0	0	111.1	L162 L486 F487 A491 L574 G575 W576 S581	L162-L578 HydrophobicContact CD1-CD2 4.4Å; L162-L578 HydrophobicContact CD2-CD2 4.19Å; L486-L578 HydrophobicContact CD2-CD1 4.34Å; L486-L578 HydrophobicContact CG-CD1 4.48Å; F487-L578 HydrophobicContact CD2-CD1 4.05Å; F487-L578 HydrophobicContact CE2-CD1 4.03Å; F487-L578 HydrophobicContact CG-CD1 4.5Å; F487-L578 HydrophobicContact CZ-CD1 4.45Å; F487-L578 HydrophobicContact CZ-CD2 4.36Å; A491-L578 HydrophobicContact CB-CB 3.99Å; A491-L578 HydrophobicContact CB-CD1 4.3Å; L574-L578 WeakPolarHBondContact O-CG 3.21Å; L574-L578 PolarHBondContact O-N 3.29Å; G575-L578 WeakPolarHBondContact O-CB 3.3Å; G575-L578 PolarHBondContact O-N 3.29Å; G575-L578 VanDerWaalsContact O-N 3.09Å; W576-L578 VanDerWaalsContact C-N 3.33Å; L578-S581 WeakPolarHBondContact O-CB 3.35Å; L578-S581 PolarHBondContact O-N 3.14Å; L578-S581 PolarHBondContact O-OG 3.43Å
579	A	93.5	Very high	95.3	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-49.6	176.8	0	0	0	0	0	111.9	G575 W576 S581 S582 M583	G575-A579 PolarHBondContact O-N 3.21Å; W576-A579 PolarHBondContact O-N 3.09Å; A579-S581 VanDerWaalsContact C-N 3.26Å; A579-S581 PolarHBondContact O-N 2.97Å; A579-S582 PolarHBondContact O-N 3.41Å; A579-S582 PolarHBondContact O-OG 3.45Å; A579-M583 WeakPolarHBondContact O-CG 3.49Å; A579-M583 PolarHBondContact O-N 2.83Å
580	L	94.9	Very high	95.3	Very high	73 Å²	73	42 Å²	42	38%	0.382	23%	0.228	S	C	.	.	H	α-helix	trans	-64.8	-28.1	-179.4	-71	172.1	0	0	0	113.2	W576 S582 M583 L584	W576-L580 WeakPolarHBondContact O-CB 3.5Å; W576-L580 VanDerWaalsContact O-CG 3.24Å; W576-L580 WeakPolarHBondContact O-CG 3.49Å; W576-L580 PolarHBondContact O-N 3.14Å; L580-S582 PolarHBondContact O-N 3.47Å; L580-M583 PolarHBondContact O-N 3.23Å; L580-L584 HydrophobicContact CB-CD1 4.17Å; L580-L584 HydrophobicContact CB-CG 4.41Å; L580-L584 VanDerWaalsContact O-CB 3.3Å; L580-L584 WeakPolarHBondContact O-CB 3.32Å; L580-L584 VanDerWaalsContact O-CG 3.31Å; L580-L584 WeakPolarHBondContact O-CG 3.14Å; L580-L584 PolarHBondContact O-N 3.22Å
581	S	95.8	Very high	95.3	Very high	51 Å²	51	40.6 Å²	40.6	36%	0.357	23%	0.229	S	C	.	.	H	α-helix	trans	-56.7	-34.9	179.6	75.1	0	0	0	0	112.9	S577 L578 A579 C585	S577-S581 WeakPolarHBondContact O-CB 3.17Å; S577-S581 PolarHBondContact O-N 3.48Å; L578-S581 WeakPolarHBondContact O-CB 3.35Å; L578-S581 PolarHBondContact O-N 3.14Å; L578-S581 PolarHBondContact O-OG 3.43Å; A579-S581 VanDerWaalsContact C-N 3.26Å; A579-S581 PolarHBondContact O-N 2.97Å; S581-C585 PolarHBondContact O-SG 3.32Å
582	S	95.6	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-89.5	-44.5	175.9	62.5	0	0	0	0	112.3	A155 I159 A579 L580 L584 C585	A155-S582 VanDerWaalsContact CB-O 3.29Å; A155-S582 WeakPolarHBondContact CB-O 3.34Å; I159-S582 VanDerWaalsContact CG1-CB 3.44Å; A579-S582 PolarHBondContact O-N 3.41Å; A579-S582 PolarHBondContact O-OG 3.45Å; L580-S582 PolarHBondContact O-N 3.47Å; S582-L584 VanDerWaalsContact C-N 3.29Å; S582-L584 PolarHBondContact O-N 2.96Å; S582-C585 VanDerWaalsContact O-CB 3.27Å; S582-C585 WeakPolarHBondContact O-CB 3.44Å; S582-C585 PolarHBondContact O-N 2.84Å; S582-C585 VanDerWaalsContact O-N 3.08Å
583	M	94.6	Very high	95.3	Very high	19 Å²	19	45.6 Å²	45.6	9%	0.094	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-37.7	-175.9	-67	175.3	65	0	0	112.5	W499 F549 A579 L580 C585 P587	W499-M583 HydrophobicContact CB-CE 4.31Å; W499-M583 HydrophobicContact CB-CG 4.32Å; W499-M583 HydrophobicContact CD2-CE 3.76Å; W499-M583 HydrophobicContact CE3-CE 3.86Å; W499-M583 HydrophobicContact CG-CB 4.33Å; W499-M583 HydrophobicContact CG-CE 3.99Å; W499-M583 HydrophobicContact CG-CG 3.99Å; W499-M583 HydrophobicContact CZ3-CE 4.44Å; W499-M583 PolarHBondContact NE1-O 3.41Å; F549-M583 HydrophobicContact CE2-CE 3.57Å; F549-M583 HydrophobicContact CZ-CE 3.76Å; A579-M583 WeakPolarHBondContact O-CG 3.49Å; A579-M583 PolarHBondContact O-N 2.83Å; L580-M583 PolarHBondContact O-N 3.23Å; M583-C585 VanDerWaalsContact C-N 3.27Å; M583-C585 PolarHBondContact O-N 3.1Å; M583-P587 WeakPolarHBondContact O-CD 3.33Å
584	L	96.2	Very high	95.2	Very high	82 Å²	82	45.3 Å²	45.3	43%	0.429	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.5	179.7	-67	176.9	0	0	0	113.3	L580 S582 V586 P587 L588	L580-L584 HydrophobicContact CB-CD1 4.17Å; L580-L584 HydrophobicContact CB-CG 4.41Å; L580-L584 VanDerWaalsContact O-CB 3.3Å; L580-L584 WeakPolarHBondContact O-CB 3.32Å; L580-L584 VanDerWaalsContact O-CG 3.31Å; L580-L584 WeakPolarHBondContact O-CG 3.14Å; L580-L584 PolarHBondContact O-N 3.22Å; S582-L584 VanDerWaalsContact C-N 3.29Å; S582-L584 PolarHBondContact O-N 2.96Å; L584-V586 VanDerWaalsContact C-N 3.27Å; L584-V586 PolarHBondContact O-N 3.42Å; L584-P587 HydrophobicContact CD2-CG 4.34Å; L584-P587 VanDerWaalsContact O-CD 3.26Å; L584-P587 WeakPolarHBondContact O-CD 3.24Å; L584-P587 WeakPolarHBondContact O-CG 3.46Å; L584-L588 HydrophobicContact CB-CD1 3.93Å; L584-L588 HydrophobicContact CB-CG 4.35Å; L584-L588 WeakPolarHBondContact O-CB 3.08Å; L584-L588 WeakPolarHBondContact O-CD1 3.46Å; L584-L588 WeakPolarHBondContact O-CG 3.23Å; L584-L588 PolarHBondContact O-N 2.95Å
585	C	97.1	Very high	95.1	Very high	20 Å²	20	45.9 Å²	45.9	14%	0.135	25%	0.252	C	S	.	.	H	α-helix	trans	-57	-41.1	177.3	-67.1	0	0	0	0	112	A155 S581 S582 M583 V589	A155-C585 HydrophobicContact CB-CB 3.94Å; S581-C585 PolarHBondContact O-SG 3.32Å; S582-C585 VanDerWaalsContact O-CB 3.27Å; S582-C585 WeakPolarHBondContact O-CB 3.44Å; S582-C585 PolarHBondContact O-N 2.84Å; S582-C585 VanDerWaalsContact O-N 3.08Å; M583-C585 VanDerWaalsContact C-N 3.27Å; M583-C585 PolarHBondContact O-N 3.1Å; C585-V589 WeakPolarHBondContact O-CB 3.43Å; C585-V589 WeakPolarHBondContact O-CG2 3Å; C585-V589 PolarHBondContact O-N 2.79Å
586	V	96.1	Very high	94.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-60.9	179.8	-178.2	0	0	0	0	111.8	F149 I152 A155 F503 L584 L588 V589 I590	F149-V586 HydrophobicContact CD1-CG1 4.23Å; I152-V586 HydrophobicContact CG1-CG2 4.23Å; A155-V586 HydrophobicContact CB-CG2 4.31Å; F503-V586 HydrophobicContact CD1-CG1 3.97Å; F503-V586 HydrophobicContact CD2-CG1 4.11Å; F503-V586 HydrophobicContact CD2-CG2 4.33Å; F503-V586 HydrophobicContact CE1-CG1 4.06Å; F503-V586 HydrophobicContact CE2-CG1 4.23Å; F503-V586 HydrophobicContact CG-CG1 4Å; F503-V586 HydrophobicContact CZ-CG1 4.19Å; L584-V586 VanDerWaalsContact C-N 3.27Å; L584-V586 PolarHBondContact O-N 3.42Å; V586-L588 PolarHBondContact O-N 3.01Å; V586-V589 PolarHBondContact O-N 2.57Å; V586-I590 HydrophobicContact CG1-CD1 4.16Å; V586-I590 VanDerWaalsContact O-CG1 3.31Å; V586-I590 WeakPolarHBondContact O-CG1 3.25Å; V586-I590 PolarHBondContact O-N 2.85Å; V586-I590 VanDerWaalsContact O-N 3.17Å
587	P	96.9	Very high	94.7	Very high	46 Å²	46	49.5 Å²	49.5	30%	0.299	27%	0.274	S	S	.	.	H	α-helix	trans	-64.7	-35.7	179.6	24.9	-34.6	0	0	0	113.3	M583 L584 I590 I591	M583-P587 WeakPolarHBondContact O-CD 3.33Å; L584-P587 HydrophobicContact CD2-CG 4.34Å; L584-P587 VanDerWaalsContact O-CD 3.26Å; L584-P587 WeakPolarHBondContact O-CD 3.24Å; L584-P587 WeakPolarHBondContact O-CG 3.46Å; P587-I590 WeakPolarHBondContact O-CB 3.22Å; P587-I590 PolarHBondContact O-N 2.59Å; P587-I591 WeakPolarHBondContact O-CG1 3.33Å; P587-I591 PolarHBondContact O-N 3.41Å; P587-I591 VanDerWaalsContact O-N 3.07Å
588	L	96.8	Very high	94.2	Very high	91 Å²	91	54.7 Å²	54.7	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-44.6	178.7	-72.1	172.8	0	0	0	111.7	L584 V586 I590 I591 I592	L584-L588 HydrophobicContact CB-CD1 3.93Å; L584-L588 HydrophobicContact CB-CG 4.35Å; L584-L588 WeakPolarHBondContact O-CB 3.08Å; L584-L588 WeakPolarHBondContact O-CD1 3.46Å; L584-L588 WeakPolarHBondContact O-CG 3.23Å; L584-L588 PolarHBondContact O-N 2.95Å; V586-L588 PolarHBondContact O-N 3.01Å; L588-I590 VanDerWaalsContact C-N 3.33Å; L588-I590 PolarHBondContact O-N 3.3Å; L588-I591 PolarHBondContact O-N 3.12Å; L588-I592 WeakPolarHBondContact O-CB 3.35Å; L588-I592 VanDerWaalsContact O-CG1 3.24Å; L588-I592 WeakPolarHBondContact O-CG1 3.4Å; L588-I592 PolarHBondContact O-N 3.16Å
589	V	96.2	Very high	93.8	Very high	17 Å²	17	55.8 Å²	55.8	10%	0.103	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-37.5	177.6	172.8	0	0	0	0	111.3	S150 Y154 C585 V586 I591 I592 R593	S150-V589 WeakPolarHBondContact OG-CG1 3.33Å; Y154-V589 HydrophobicContact CD2-CG2 3.97Å; Y154-V589 HydrophobicContact CE2-CG2 4.48Å; C585-V589 WeakPolarHBondContact O-CB 3.43Å; C585-V589 WeakPolarHBondContact O-CG2 3Å; C585-V589 PolarHBondContact O-N 2.79Å; V586-V589 PolarHBondContact O-N 2.57Å; V589-I591 VanDerWaalsContact C-N 3.33Å; V589-I591 PolarHBondContact O-N 3.49Å; V589-I592 PolarHBondContact O-N 2.82Å; V589-R593 HydrophobicContact CG1-CG 3.86Å; V589-R593 WeakPolarHBondContact O-CB 3.46Å; V589-R593 VanDerWaalsContact O-CG 3.24Å; V589-R593 WeakPolarHBondContact O-CG 3.22Å; V589-R593 PolarHBondContact O-N 2.67Å
590	I	95.9	Very high	93.6	Very high	38 Å²	38	60 Å²	60	20%	0.195	34%	0.335	C	S	.	.	H	α-helix	trans	-55.5	-50	173	-69.3	168.2	0	0	0	110.2	L148 F149 V586 P587 L588 L594	L148-I590 HydrophobicContact CD1-CG2 4.05Å; L148-I590 HydrophobicContact CG-CG1 4.29Å; L148-I590 HydrophobicContact CG-CG2 4.37Å; L148-I590 VanDerWaalsContact O-CG1 3.32Å; L148-I590 WeakPolarHBondContact O-CG1 3.49Å; F149-I590 HydrophobicContact CD1-CD1 3.99Å; F149-I590 HydrophobicContact CE1-CD1 3.67Å; F149-I590 HydrophobicContact CZ-CD1 4.18Å; V586-I590 HydrophobicContact CG1-CD1 4.16Å; V586-I590 VanDerWaalsContact O-CG1 3.31Å; V586-I590 WeakPolarHBondContact O-CG1 3.25Å; V586-I590 PolarHBondContact O-N 2.85Å; V586-I590 VanDerWaalsContact O-N 3.17Å; P587-I590 WeakPolarHBondContact O-CB 3.22Å; P587-I590 PolarHBondContact O-N 2.59Å; L588-I590 VanDerWaalsContact C-N 3.33Å; L588-I590 PolarHBondContact O-N 3.3Å; I590-L594 HydrophobicContact CG2-CD1 3.92Å; I590-L594 WeakPolarHBondContact O-CB 3.21Å; I590-L594 VanDerWaalsContact O-CG 3.25Å; I590-L594 WeakPolarHBondContact O-CG 3.38Å; I590-L594 PolarHBondContact O-N 3.37Å
591	I	96.3	Very high	93.2	Very high	100 Å²	100	62.7 Å²	62.7	51%	0.513	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-48.1	179.1	-65.8	166.1	0	0	0	110.9	P587 L588 V589 R593 L594 C595	P587-I591 WeakPolarHBondContact O-CG1 3.33Å; P587-I591 PolarHBondContact O-N 3.41Å; P587-I591 VanDerWaalsContact O-N 3.07Å; L588-I591 PolarHBondContact O-N 3.12Å; V589-I591 VanDerWaalsContact C-N 3.33Å; V589-I591 PolarHBondContact O-N 3.49Å; I591-R593 PolarHBondContact O-N 3.41Å; I591-L594 PolarHBondContact O-N 3.11Å; I591-C595 WeakPolarHBondContact O-CB 3.11Å; I591-C595 PolarHBondContact O-N 2.81Å; I591-C595 PolarHBondContact O-SG 2.78Å
592	I	95.3	Very high	92.7	Very high	85 Å²	85	66.2 Å²	66.2	44%	0.436	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-48.8	-179.1	-69.5	164.7	0	0	0	110.9	L588 V589 C595 Q596	L588-I592 WeakPolarHBondContact O-CB 3.35Å; L588-I592 VanDerWaalsContact O-CG1 3.24Å; L588-I592 WeakPolarHBondContact O-CG1 3.4Å; L588-I592 PolarHBondContact O-N 3.16Å; V589-I592 PolarHBondContact O-N 2.82Å; I592-C595 PolarHBondContact O-N 3.13Å; I592-Q596 HydrophobicContact CG2-CG 4.3Å; I592-Q596 WeakPolarHBondContact O-CB 3.36Å; I592-Q596 WeakPolarHBondContact O-CG 3.46Å; I592-Q596 PolarHBondContact O-N 2.93Å
593	R	92.4	Very high	92.3	Very high	45 Å²	45	68.2 Å²	68.2	17%	0.17	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-41	-178.7	-71.6	-65.3	-165.3	-171.1	-0.4	112.1	E143 S150 V589 I591 T597 L608	E143-R593 IonicContact OE1-CZ 3.62Å; E143-R593 IonicContact OE1-NH2 3.46Å; E143-R593 PolarHBondContact OE1-NH2 3.3Å; S150-R593 PolarHBondContact OG-NH2 3.03Å; V589-R593 HydrophobicContact CG1-CG 3.86Å; V589-R593 WeakPolarHBondContact O-CB 3.46Å; V589-R593 VanDerWaalsContact O-CG 3.24Å; V589-R593 WeakPolarHBondContact O-CG 3.22Å; V589-R593 PolarHBondContact O-N 2.67Å; I591-R593 PolarHBondContact O-N 3.41Å; R593-T597 WeakPolarHBondContact O-CB 3Å; R593-T597 PolarHBondContact O-N 3.05Å; R593-T597 PolarHBondContact O-OG1 3.28Å; R593-L608 HydrophobicContact CB-CD1 4Å; R593-L608 HydrophobicContact CB-CD2 4.33Å
594	L	92.7	Very high	91.9	Very high	28 Å²	28	69.7 Å²	69.7	15%	0.147	38%	0.375	C	S	.	.	H	α-helix	trans	-56.6	-62.3	171.5	-73.7	168.6	0	0	0	107.9	L148 I590 I591 Q596 T597 F601 R604 V605 L608	L148-L594 HydrophobicContact CD1-CD1 4.42Å; L148-L594 HydrophobicContact CD1-CD2 4.13Å; L148-L594 HydrophobicContact CD1-CG 3.92Å; I590-L594 HydrophobicContact CG2-CD1 3.92Å; I590-L594 WeakPolarHBondContact O-CB 3.21Å; I590-L594 VanDerWaalsContact O-CG 3.25Å; I590-L594 WeakPolarHBondContact O-CG 3.38Å; I590-L594 PolarHBondContact O-N 3.37Å; I591-L594 PolarHBondContact O-N 3.11Å; L594-Q596 VanDerWaalsContact C-N 3.3Å; L594-Q596 PolarHBondContact O-N 3.4Å; L594-Q596 VanDerWaalsContact O-N 3.15Å; L594-T597 PolarHBondContact O-N 2.51Å; L594-F601 HydrophobicContact CD1-CE2 4.33Å; L594-F601 HydrophobicContact CD2-CE2 4.41Å; L594-R604 HydrophobicContact CD2-CB 4.39Å; L594-R604 PolarHBondContact O-NE 3.19Å; L594-R604 PolarHBondContact O-NH2 3.28Å; L594-V605 HydrophobicContact CD2-CG2 3.68Å; L594-L608 HydrophobicContact CD2-CD1 3.98Å; L594-L608 HydrophobicContact CG-CD1 4.38Å
595	C	92.9	Very high	91.6	Very high	91 Å²	91	67.3 Å²	67.3	62%	0.615	36%	0.363	S	S	*	.	H	α-helix	trans	-49.9	-40.8	-178.3	-73.2	0	0	0	0	114.9	I591 I592 R604	I591-C595 WeakPolarHBondContact O-CB 3.11Å; I591-C595 PolarHBondContact O-N 2.81Å; I591-C595 PolarHBondContact O-SG 2.78Å; I592-C595 PolarHBondContact O-N 3.13Å; C595-R604 PolarHBondContact O-NH2 3.03Å
596	Q	91.3	Very high	91.1	Very high	132 Å²	132	70.5 Å²	70.5	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-75.6	-23.6	-179.6	-73	176.7	-15.7	0	0	114.4	I592 L594	I592-Q596 HydrophobicContact CG2-CG 4.3Å; I592-Q596 WeakPolarHBondContact O-CB 3.36Å; I592-Q596 WeakPolarHBondContact O-CG 3.46Å; I592-Q596 PolarHBondContact O-N 2.93Å; L594-Q596 VanDerWaalsContact C-N 3.3Å; L594-Q596 PolarHBondContact O-N 3.4Å; L594-Q596 VanDerWaalsContact O-N 3.15Å
597	T	88.7	Confident	90.6	Very high	23 Å²	23	74.2 Å²	74.2	14%	0.141	39%	0.389	C	S	.	.	S	Bend	trans	-84.3	127.4	-178.6	-52.4	0	0	0	0	109.7	R593 L594 R604 Y607	R593-T597 WeakPolarHBondContact O-CB 3Å; R593-T597 PolarHBondContact O-N 3.05Å; R593-T597 PolarHBondContact O-OG1 3.28Å; L594-T597 PolarHBondContact O-N 2.51Å; T597-R604 HydrophobicContact CG2-CB 4.27Å; T597-R604 HydrophobicContact CG2-CG 3.88Å; T597-R604 WeakPolarHBondContact O-CD 3.3Å; T597-R604 PolarHBondContact O-NE 2.93Å; T597-R604 PolarHBondContact O-NH2 3.21Å; T597-R604 VanDerWaalsContact O-NH2 3.15Å; T597-Y607 HydrophobicContact CG2-CD1 3.79Å; T597-Y607 HydrophobicContact CG2-CE1 4.19Å
598	E	84.9	Confident	90.2	Very high	180 Å²	180	72.3 Å²	72.3	84%	0.841	38%	0.377	S	S	*	.			trans	-78.7	151.4	177.1	-63.9	-178.7	171.2	0	0	112.1
599	G	86.3	Confident	89.9	Confident	48 Å²	48	69.8 Å²	69.8	50%	0.495	36%	0.364	S	S	.	.	S	Bend	trans	117.3	-178.4	173.7	0	0	0	0	0	115.2	R604	G599-R604 WeakPolarHBondContact O-CD 3.41Å
600	P	89.8	Confident	89.3	Confident	91 Å²	91	70.2 Å²	70.2	59%	0.591	37%	0.366	S	S	*	.			trans	-62	147.8	176.3	-21.8	33.2	0	0	0	112.3	L602 V603 R604	P600-L602 PolarHBondContact O-N 2.88Å; P600-V603 HydrophobicContact CB-CB 4.39Å; P600-V603 HydrophobicContact CB-CG2 4.09Å; P600-V603 HydrophobicContact CG-CG2 4.2Å; P600-V603 WeakPolarHBondContact O-CB 3.33Å; P600-V603 PolarHBondContact O-N 2.74Å; P600-R604 WeakPolarHBondContact O-CG 3.13Å; P600-R604 PolarHBondContact O-N 2.78Å
601	F	85.8	Confident	88.7	Confident	129 Å²	129	69.6 Å²	69.6	57%	0.566	37%	0.365	S	S	*	.	H	α-helix	trans	-53	-51	-174	178.5	-102.1	0	0	0	113.7	L594 V603 R604 V605	L594-F601 HydrophobicContact CD1-CE2 4.33Å; L594-F601 HydrophobicContact CD2-CE2 4.41Å; F601-V603 VanDerWaalsContact C-N 3.26Å; F601-V603 PolarHBondContact O-N 3Å; F601-R604 WeakPolarHBondContact O-CB 3.47Å; F601-R604 PolarHBondContact O-N 3.3Å; F601-V605 HydrophobicContact CD1-CG2 4.29Å; F601-V605 HydrophobicContact CD2-CG2 4.41Å; F601-V605 HydrophobicContact CE1-CG2 3.88Å; F601-V605 HydrophobicContact CE2-CG2 4.01Å; F601-V605 HydrophobicContact CZ-CG2 3.73Å; F601-V605 WeakPolarHBondContact O-CG2 3.46Å; F601-V605 PolarHBondContact O-N 3.16Å
602	L	85.1	Confident	87.6	Confident	125 Å²	125	70.1 Å²	70.1	65%	0.654	36%	0.36	S	S	*	.	H	α-helix	trans	-63.1	-32.4	180	-71.3	173.6	0	0	0	113	P600 K606	P600-L602 PolarHBondContact O-N 2.88Å; L602-K606 WeakPolarHBondContact O-CB 3.27Å; L602-K606 WeakPolarHBondContact O-CG 3.01Å; L602-K606 PolarHBondContact O-N 3.03Å
603	V	86.5	Confident	86.2	Confident	42 Å²	42	72.2 Å²	72.2	26%	0.255	37%	0.368	S	S	.	.	H	α-helix	trans	-70.1	-44.3	177.3	176.1	0	0	0	0	110.1	P600 F601 K606 Y607 Y627	P600-V603 HydrophobicContact CB-CB 4.39Å; P600-V603 HydrophobicContact CB-CG2 4.09Å; P600-V603 HydrophobicContact CG-CG2 4.2Å; P600-V603 WeakPolarHBondContact O-CB 3.33Å; P600-V603 PolarHBondContact O-N 2.74Å; F601-V603 VanDerWaalsContact C-N 3.26Å; F601-V603 PolarHBondContact O-N 3Å; V603-K606 PolarHBondContact O-N 3.17Å; V603-Y607 WeakPolarHBondContact O-CB 3.42Å; V603-Y607 PolarHBondContact O-N 3.22Å; V603-Y627 WeakPolarHBondContact CG1-OH 3.37Å
604	R	86.9	Confident	84.5	Confident	51 Å²	51	71.9 Å²	71.9	19%	0.192	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-47.4	175.3	-69	160.9	65.9	173	29.8	111.5	L594 C595 T597 G599 P600 F601 Y607 L608	L594-R604 HydrophobicContact CD2-CB 4.39Å; L594-R604 PolarHBondContact O-NE 3.19Å; L594-R604 PolarHBondContact O-NH2 3.28Å; C595-R604 PolarHBondContact O-NH2 3.03Å; T597-R604 HydrophobicContact CG2-CB 4.27Å; T597-R604 HydrophobicContact CG2-CG 3.88Å; T597-R604 WeakPolarHBondContact O-CD 3.3Å; T597-R604 PolarHBondContact O-NE 2.93Å; T597-R604 PolarHBondContact O-NH2 3.21Å; T597-R604 VanDerWaalsContact O-NH2 3.15Å; G599-R604 WeakPolarHBondContact O-CD 3.41Å; P600-R604 WeakPolarHBondContact O-CG 3.13Å; P600-R604 PolarHBondContact O-N 2.78Å; F601-R604 WeakPolarHBondContact O-CB 3.47Å; F601-R604 PolarHBondContact O-N 3.3Å; R604-Y607 PolarHBondContact O-N 3.11Å; R604-L608 WeakPolarHBondContact O-CB 3.42Å; R604-L608 VanDerWaalsContact O-CG 3.29Å; R604-L608 WeakPolarHBondContact O-CG 3.49Å; R604-L608 PolarHBondContact O-N 3.25Å
605	V	90	Very high	82.9	Confident	31 Å²	31	71.2 Å²	71.2	19%	0.188	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-51.4	178.1	173.1	0	0	0	0	110.4	L594 F601 Y607 L608 L609	L594-V605 HydrophobicContact CD2-CG2 3.68Å; F601-V605 HydrophobicContact CD1-CG2 4.29Å; F601-V605 HydrophobicContact CD2-CG2 4.41Å; F601-V605 HydrophobicContact CE1-CG2 3.88Å; F601-V605 HydrophobicContact CE2-CG2 4.01Å; F601-V605 HydrophobicContact CZ-CG2 3.73Å; F601-V605 WeakPolarHBondContact O-CG2 3.46Å; F601-V605 PolarHBondContact O-N 3.16Å; V605-Y607 VanDerWaalsContact C-N 3.33Å; V605-Y607 PolarHBondContact O-N 3.14Å; V605-L608 PolarHBondContact O-N 2.97Å; V605-L609 HydrophobicContact CG1-CD1 3.62Å; V605-L609 HydrophobicContact CG1-CG 4.22Å; V605-L609 WeakPolarHBondContact O-CB 3.32Å; V605-L609 VanDerWaalsContact O-CG 3.23Å; V605-L609 WeakPolarHBondContact O-CG 3.21Å; V605-L609 PolarHBondContact O-N 3.46Å
606	K	87.1	Confident	81.1	Confident	87 Å²	87	74.7 Å²	74.7	38%	0.378	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-44.4	178.8	-75.7	-175.3	178.8	-171.8	0	112.3	L602 V603 L608 L609 T610 V645	L602-K606 WeakPolarHBondContact O-CB 3.27Å; L602-K606 WeakPolarHBondContact O-CG 3.01Å; L602-K606 PolarHBondContact O-N 3.03Å; V603-K606 PolarHBondContact O-N 3.17Å; K606-L608 PolarHBondContact O-N 2.63Å; K606-L609 PolarHBondContact O-N 3.13Å; K606-T610 WeakPolarHBondContact O-CG2 2.9Å; K606-T610 PolarHBondContact O-N 2.92Å; K606-T610 VanDerWaalsContact O-N 3.15Å; K606-T610 PolarHBondContact O-OG1 3.11Å; K606-V645 HydrophobicContact CG-CG2 4.21Å
607	Y	85.2	Confident	79.3	Confident	78 Å²	78	69.8 Å²	69.8	31%	0.306	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-43.6	177.6	173	-117.2	0	0	0	113	T597 V603 R604 V605 L609 T610 Y627	T597-Y607 HydrophobicContact CG2-CD1 3.79Å; T597-Y607 HydrophobicContact CG2-CE1 4.19Å; V603-Y607 WeakPolarHBondContact O-CB 3.42Å; V603-Y607 PolarHBondContact O-N 3.22Å; R604-Y607 PolarHBondContact O-N 3.11Å; V605-Y607 VanDerWaalsContact C-N 3.33Å; V605-Y607 PolarHBondContact O-N 3.14Å; Y607-L609 VanDerWaalsContact C-N 3.32Å; Y607-T610 PolarHBondContact O-N 3.35Å; Y607-T610 PolarHBondContact O-OG1 3.09Å; Y607-Y627 AromaticContact CD2-CD1 3.19Å; Y607-Y627 HydrophobicContact CD2-CD1 3.19Å; Y607-Y627 AromaticContact CD2-CE1 3.82Å; Y607-Y627 HydrophobicContact CD2-CE1 3.82Å; Y607-Y627 AromaticContact CD2-CG 3.98Å; Y607-Y627 HydrophobicContact CD2-CG 3.98Å; Y607-Y627 AromaticContact CE2-CD1 3.91Å; Y607-Y627 HydrophobicContact CE2-CD1 3.91Å; Y607-Y627 AromaticContact CG-CD1 3.99Å; Y607-Y627 HydrophobicContact CG-CD1 3.99Å; Y607-Y627 HydrophobicContact CG-CE1 4.17Å
608	L	88.6	Confident	77.6	Confident	7 Å²	7	68.9 Å²	68.9	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-77.7	-19.7	-178.4	-66.5	168.6	0	0	0	113	P147 L148 R593 L594 R604 V605 K606	P147-L608 HydrophobicContact CB-CD2 4.02Å; P147-L608 VanDerWaalsContact CD-O 3.23Å; P147-L608 WeakPolarHBondContact CD-O 3.46Å; L148-L608 HydrophobicContact CB-CB 3.76Å; L148-L608 WeakPolarHBondContact CB-O 3.16Å; L148-L608 HydrophobicContact CD1-CB 3.95Å; L148-L608 HydrophobicContact CD1-CD1 3.82Å; L148-L608 HydrophobicContact CG-CB 4.37Å; L148-L608 PolarHBondContact N-O 3.43Å; R593-L608 HydrophobicContact CB-CD1 4Å; R593-L608 HydrophobicContact CB-CD2 4.33Å; L594-L608 HydrophobicContact CD2-CD1 3.98Å; L594-L608 HydrophobicContact CG-CD1 4.38Å; R604-L608 WeakPolarHBondContact O-CB 3.42Å; R604-L608 VanDerWaalsContact O-CG 3.29Å; R604-L608 WeakPolarHBondContact O-CG 3.49Å; R604-L608 PolarHBondContact O-N 3.25Å; V605-L608 PolarHBondContact O-N 2.97Å; K606-L608 PolarHBondContact O-N 2.63Å
609	L	89.8	Confident	76.2	Confident	38 Å²	38	63.5 Å²	63.5	20%	0.199	32%	0.318	C	S	.	.	H	α-helix	trans	-80.7	-23.7	172.7	-70.4	173.8	0	0	0	112.6	L148 F149 I511 V605 K606 Y607	L148-L609 HydrophobicContact CB-CD2 4.34Å; L148-L609 HydrophobicContact CD2-CD2 3.58Å; L148-L609 HydrophobicContact CD2-CG 4.01Å; F149-L609 HydrophobicContact CD2-CD2 4.42Å; F149-L609 HydrophobicContact CE2-CD2 4.03Å; I511-L609 HydrophobicContact CD1-CD2 3.95Å; I511-L609 HydrophobicContact CG2-CB 4.41Å; I511-L609 HydrophobicContact CG2-CD2 3.68Å; V605-L609 HydrophobicContact CG1-CD1 3.62Å; V605-L609 HydrophobicContact CG1-CG 4.22Å; V605-L609 WeakPolarHBondContact O-CB 3.32Å; V605-L609 VanDerWaalsContact O-CG 3.23Å; V605-L609 WeakPolarHBondContact O-CG 3.21Å; V605-L609 PolarHBondContact O-N 3.46Å; K606-L609 PolarHBondContact O-N 3.13Å; Y607-L609 VanDerWaalsContact C-N 3.32Å
610	T	84.4	Confident	74.5	Confident	26 Å²	26	67.4 Å²	67.4	16%	0.16	32%	0.324	C	S	.	.	S	Bend	trans	-78.1	139	177.5	47	0	0	0	0	112.2	P147 K606 Y607	P147-T610 WeakPolarHBondContact CD-O 3.46Å; K606-T610 WeakPolarHBondContact O-CG2 2.9Å; K606-T610 PolarHBondContact O-N 2.92Å; K606-T610 VanDerWaalsContact O-N 3.15Å; K606-T610 PolarHBondContact O-OG1 3.11Å; Y607-T610 PolarHBondContact O-N 3.35Å; Y607-T610 PolarHBondContact O-OG1 3.09Å
611	P	83.9	Confident	72.7	Confident	24 Å²	24	71.9 Å²	71.9	16%	0.156	33%	0.329	C	S	.	.			trans	-55.7	142.3	171	-23.3	32.5	0	0	0	111.7	K144 I145 Y512 E613	K144-P611 VanDerWaalsContact O-CA 3.24Å; K144-P611 WeakPolarHBondContact O-CA 3.18Å; K144-P611 WeakPolarHBondContact O-CB 3.48Å; I145-P611 WeakPolarHBondContact O-CA 3.32Å; I145-P611 WeakPolarHBondContact O-CG 3.25Å; Y512-P611 HydrophobicContact CD2-CG 3.84Å; Y512-P611 HydrophobicContact CE2-CB 4.44Å; Y512-P611 HydrophobicContact CE2-CG 3.71Å; P611-E613 VanDerWaalsContact C-N 3.32Å; P611-E613 PolarHBondContact O-N 3.09Å
612	R	72.6	Confident	70.9	Confident	111 Å²	111	70.1 Å²	70.1	42%	0.419	32%	0.322	S	S	.	.	S	Bend	trans	-65.4	-37	-178.3	-80.3	-172.2	177.3	161.8	8.2	112.9	E143 K144 P147	E143-R612 IonicContact OE2-CZ 3.05Å; E143-R612 IonicContact OE2-NH1 2.86Å; E143-R612 PolarHBondContact OE2-NH1 3.09Å; E143-R612 IonicContact OE2-NH2 3.6Å; E143-R612 PolarHBondContact OE2-NH2 3.45Å; K144-R612 PolarHBondContact O-N 3.23Å; P147-R612 HydrophobicContact CG-CG 3.87Å
613	E	65.4	Low	69.2	Low	130 Å²	130	66.7 Å²	66.7	61%	0.607	32%	0.317	S	S	*	.	S	Bend	trans	-112.1	124.7	174.9	-69.6	179.1	178.6	0	0	107.8	P611 N615	P611-E613 VanDerWaalsContact C-N 3.32Å; P611-E613 PolarHBondContact O-N 3.09Å; E613-N615 PolarHBondContact O-N 3.14Å
614	P	56.6	Low	67.5	Low	37 Å²	37	65.1 Å²	65.1	24%	0.24	31%	0.308	C	S	.	.			trans	-60.6	135.3	173.4	24.4	-30.7	0	0	0	108.6	R616 V619 A624 P626	P614-R616 PolarHBondContact O-N 2.85Å; P614-V619 HydrophobicContact CB-CG2 3.83Å; P614-V619 HydrophobicContact CG-CG2 3.64Å; P614-A624 HydrophobicContact CB-CB 4.02Å; P614-P626 HydrophobicContact CG-CG 4.36Å
615	N	59.7	Low	65.6	Low	14 Å²	14	67.8 Å²	67.8	8%	0.075	33%	0.331	C	S	.	.			trans	-56.7	144.2	176.3	-63	-37.2	0	0	0	109.5	Y133 Y512 E613 W617 A618 V619	Y133-N615 VanDerWaalsContact OH-CG 3.31Å; Y133-N615 PolarHBondContact OH-OD1 3.47Å; Y512-N615 VanDerWaalsContact OH-CG 3.26Å; Y512-N615 PolarHBondContact OH-ND2 3.47Å; Y512-N615 PolarHBondContact OH-OD1 2.93Å; E613-N615 PolarHBondContact O-N 3.14Å; N615-W617 HydrophobicContact CB-CD2 3.9Å; N615-W617 HydrophobicContact CB-CG 4.3Å; N615-W617 HydrophobicContact CB-CH2 4.28Å; N615-W617 HydrophobicContact CB-CZ2 3.62Å; N615-W617 WeakPolarHBondContact ND2-CH2 3.45Å; N615-W617 WeakPolarHBondContact ND2-CZ2 3.43Å; N615-W617 PolarHBondContact O-N 2.77Å; N615-A618 WeakPolarHBondContact O-CA 3.27Å; N615-A618 WeakPolarHBondContact O-CB 3.15Å; N615-A618 PolarHBondContact O-N 3.44Å; N615-V619 PolarHBondContact O-N 3.2Å; N615-V619 VanDerWaalsContact O-N 3.12Å
616	R	54.9	Low	63.9	Low	165 Å²	165	70.2 Å²	70.2	62%	0.623	35%	0.347	S	S	*	.	H	α-helix	trans	-49.6	-38	-175.1	-176.7	178.2	172.9	-171	-4.6	113.3	P614 V619 E620	P614-R616 PolarHBondContact O-N 2.85Å; R616-V619 WeakPolarHBondContact O-CB 3.39Å; R616-V619 PolarHBondContact O-N 3.01Å; R616-E620 HydrophobicContact CG-CG 4.4Å; R616-E620 IonicContact CZ-OE1 3.47Å; R616-E620 IonicContact NE-OE1 3.84Å; R616-E620 PolarHBondContact NE-OE1 3.44Å; R616-E620 IonicContact NE-OE2 3.9Å; R616-E620 IonicContact NH2-OE1 2.63Å; R616-E620 PolarHBondContact NH2-OE1 2.88Å; R616-E620 WeakPolarHBondContact O-CB 3.29Å; R616-E620 WeakPolarHBondContact O-CG 3.37Å; R616-E620 PolarHBondContact O-N 2.78Å
617	W	53	Low	62.2	Low	29 Å²	29	69 Å²	69	11%	0.11	34%	0.34	C	S	.	.	H	α-helix	trans	-75.2	-29.8	177.9	46.4	-97.1	0	0	0	114	N516 N615 V619 E620 R621	N516-W617 HydrophobicContact CB-CH2 3.73Å; N516-W617 HydrophobicContact CB-CZ2 3.79Å; N516-W617 VanDerWaalsContact CG-CH2 3.48Å; N516-W617 VanDerWaalsContact OD1-CH2 3.3Å; N516-W617 WeakPolarHBondContact OD1-CH2 3.38Å; N615-W617 HydrophobicContact CB-CD2 3.9Å; N615-W617 HydrophobicContact CB-CG 4.3Å; N615-W617 HydrophobicContact CB-CH2 4.28Å; N615-W617 HydrophobicContact CB-CZ2 3.62Å; N615-W617 WeakPolarHBondContact ND2-CH2 3.45Å; N615-W617 WeakPolarHBondContact ND2-CZ2 3.43Å; N615-W617 PolarHBondContact O-N 2.77Å; W617-V619 VanDerWaalsContact C-N 3.26Å; W617-E620 PolarHBondContact O-N 3.41Å; W617-R621 VanDerWaalsContact O-CB 3.24Å; W617-R621 WeakPolarHBondContact O-CB 3.37Å; W617-R621 WeakPolarHBondContact O-CG 3.37Å; W617-R621 PolarHBondContact O-N 2.86Å
618	A	53	Low	60.6	Low	3 Å²	3	69.8 Å²	69.8	3%	0.025	35%	0.35	C	S	.	.	H	α-helix	trans	-66.5	-35.7	170.7	0	0	0	0	0	109.9	N615 E622 G623 A624	N615-A618 WeakPolarHBondContact O-CA 3.27Å; N615-A618 WeakPolarHBondContact O-CB 3.15Å; N615-A618 PolarHBondContact O-N 3.44Å; A618-E622 CarbonylContact O-C 3.42Å; A618-E622 WeakPolarHBondContact O-CA 3.18Å; A618-E622 WeakPolarHBondContact O-CB 3.4Å; A618-E622 PolarHBondContact O-N 3.49Å; A618-E622 VanDerWaalsContact O-N 3.1Å; A618-G623 PolarHBondContact O-N 3.14Å; A618-A624 VanDerWaalsContact C-CB 3.5Å; A618-A624 HydrophobicContact CB-CB 3.77Å; A618-A624 VanDerWaalsContact O-CB 3.23Å; A618-A624 WeakPolarHBondContact O-CB 3.5Å; A618-A624 PolarHBondContact O-N 2.94Å
619	V	55	Low	58.4	Low	68 Å²	68	72.2 Å²	72.2	41%	0.412	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-49.2	172	-173.3	0	0	0	0	111.1	P614 N615 R616 W617 G623	P614-V619 HydrophobicContact CB-CG2 3.83Å; P614-V619 HydrophobicContact CG-CG2 3.64Å; N615-V619 PolarHBondContact O-N 3.2Å; N615-V619 VanDerWaalsContact O-N 3.12Å; R616-V619 WeakPolarHBondContact O-CB 3.39Å; R616-V619 PolarHBondContact O-N 3.01Å; W617-V619 VanDerWaalsContact C-N 3.26Å; V619-G623 VanDerWaalsContact O-CA 3.3Å; V619-G623 WeakPolarHBondContact O-CA 3.3Å; V619-G623 PolarHBondContact O-N 3.36Å; V619-G623 VanDerWaalsContact O-N 3.16Å
620	E	51.2	Low	56.3	Low	129 Å²	129	80.6 Å²	80.6	60%	0.603	40%	0.396	S	S	*	.	H	α-helix	trans	-73.9	-34.4	-174.1	-73.7	175.5	177.5	0	0	113.9	R616 W617	R616-E620 HydrophobicContact CG-CG 4.4Å; R616-E620 IonicContact CZ-OE1 3.47Å; R616-E620 IonicContact NE-OE1 3.84Å; R616-E620 PolarHBondContact NE-OE1 3.44Å; R616-E620 IonicContact NE-OE2 3.9Å; R616-E620 IonicContact NH2-OE1 2.63Å; R616-E620 PolarHBondContact NH2-OE1 2.88Å; R616-E620 WeakPolarHBondContact O-CB 3.29Å; R616-E620 WeakPolarHBondContact O-CG 3.37Å; R616-E620 PolarHBondContact O-N 2.78Å; W617-E620 PolarHBondContact O-N 3.41Å
621	R	52.1	Low	54.5	Low	186 Å²	186	82 Å²	82	70%	0.702	41%	0.411	S	S	*	.	H	α-helix	trans	-96.6	-35.1	-178.3	-61.3	-174.5	-166	166.6	7.8	113.7	D519 W617	D519-R621 IonicContact OD2-NH1 3.33Å; W617-R621 VanDerWaalsContact O-CB 3.24Å; W617-R621 WeakPolarHBondContact O-CB 3.37Å; W617-R621 WeakPolarHBondContact O-CG 3.37Å; W617-R621 PolarHBondContact O-N 2.86Å
622	E	48.2	Very low	52.6	Low	92 Å²	92	85.7 Å²	85.7	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-118	2	-170.1	-57.3	177.7	178.1	0	0	113.1	A618 A624 H642	A618-E622 CarbonylContact O-C 3.42Å; A618-E622 WeakPolarHBondContact O-CA 3.18Å; A618-E622 WeakPolarHBondContact O-CB 3.4Å; A618-E622 PolarHBondContact O-N 3.49Å; A618-E622 VanDerWaalsContact O-N 3.1Å; E622-A624 PolarHBondContact O-N 2.77Å; E622-H642 IonicContact OE2-CD2 3.33Å
623	G	49.8	Very low	51	Low	53 Å²	53	88.8 Å²	88.8	55%	0.546	45%	0.454	S	S	.	.			trans	61.3	25.6	-177.3	0	0	0	0	0	113.2	A618 V619 T625	A618-G623 PolarHBondContact O-N 3.14Å; V619-G623 VanDerWaalsContact O-CA 3.3Å; V619-G623 WeakPolarHBondContact O-CA 3.3Å; V619-G623 PolarHBondContact O-N 3.36Å; V619-G623 VanDerWaalsContact O-N 3.16Å; G623-T625 PolarHBondContact O-N 3.33Å
624	A	50.2	Low	49.6	Very low	8 Å²	8	89.7 Å²	89.7	7%	0.066	46%	0.463	C	S	.	.			trans	-61.2	125.4	-172.8	0	0	0	0	0	111.6	P614 A618 E622	P614-A624 HydrophobicContact CB-CB 4.02Å; A618-A624 VanDerWaalsContact C-CB 3.5Å; A618-A624 HydrophobicContact CB-CB 3.77Å; A618-A624 VanDerWaalsContact O-CB 3.23Å; A618-A624 WeakPolarHBondContact O-CB 3.5Å; A618-A624 PolarHBondContact O-N 2.94Å; E622-A624 PolarHBondContact O-N 2.77Å
625	T	48	Very low	48.6	Very low	108 Å²	108	92 Å²	92	66%	0.663	49%	0.494	S	S	*	.			trans	-104.2	150.3	172.6	55.8	0	0	0	0	110.5	G623 Y627	G623-T625 PolarHBondContact O-N 3.33Å; T625-Y627 PolarHBondContact O-N 2.86Å
626	P	54.4	Low	47.4	Very low	82 Å²	82	94.6 Å²	94.6	53%	0.532	52%	0.517	S	S	.	.			trans	-51.4	137.8	173.8	-22.9	31.5	0	0	0	111.4	P614 N628	P614-P626 HydrophobicContact CG-CG 4.36Å; P626-N628 PolarHBondContact O-N 2.78Å
627	Y	50	Low	46.4	Very low	61 Å²	61	94.6 Å²	94.6	24%	0.239	53%	0.529	C	S	.	.			trans	-64.8	125.5	178.3	-174.4	-82.4	0	0	0	110.3	V603 Y607 T625 P640	V603-Y627 WeakPolarHBondContact CG1-OH 3.37Å; Y607-Y627 AromaticContact CD2-CD1 3.19Å; Y607-Y627 HydrophobicContact CD2-CD1 3.19Å; Y607-Y627 AromaticContact CD2-CE1 3.82Å; Y607-Y627 HydrophobicContact CD2-CE1 3.82Å; Y607-Y627 AromaticContact CD2-CG 3.98Å; Y607-Y627 HydrophobicContact CD2-CG 3.98Å; Y607-Y627 AromaticContact CE2-CD1 3.91Å; Y607-Y627 HydrophobicContact CE2-CD1 3.91Å; Y607-Y627 AromaticContact CG-CD1 3.99Å; Y607-Y627 HydrophobicContact CG-CD1 3.99Å; Y607-Y627 HydrophobicContact CG-CE1 4.17Å; T625-Y627 PolarHBondContact O-N 2.86Å; Y627-P640 HydrophobicContact CD2-CB 4.16Å; Y627-P640 HydrophobicContact CD2-CG 3.63Å; Y627-P640 HydrophobicContact CE2-CG 3.56Å
628	N	51.6	Low	45.6	Very low	94 Å²	94	98.9 Å²	98.9	50%	0.503	56%	0.558	S	S	.	*			trans	-113.4	110.8	177.7	-173.9	-8	0	0	0	110.6	P626 R630 A631	P626-N628 PolarHBondContact O-N 2.78Å; N628-R630 PolarHBondContact O-N 3.16Å; N628-R630 VanDerWaalsContact O-N 3.17Å; N628-R630 WeakPolarHBondContact OD1-CB 3.18Å; N628-R630 PolarHBondContact OD1-N 2.9Å; N628-A631 HydrophobicContact CB-CB 4.28Å; N628-A631 WeakPolarHBondContact O-CB 3.34Å; N628-A631 PolarHBondContact O-N 3.49Å; N628-A631 VanDerWaalsContact O-N 3.16Å
629	S	43.7	Very low	44.7	Very low	58 Å²	58	105.2 Å²	105.2	41%	0.406	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-60.7	-23.2	178.9	56.8	0	0	0	0	113.8
630	R	44	Very low	43.9	Very low	214 Å²	214	104.4 Å²	104.4	81%	0.808	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-84.5	-12.6	178.9	-68.1	-177.3	179.5	173.9	0.2	114.5	N628 V632	N628-R630 PolarHBondContact O-N 3.16Å; N628-R630 VanDerWaalsContact O-N 3.17Å; N628-R630 WeakPolarHBondContact OD1-CB 3.18Å; N628-R630 PolarHBondContact OD1-N 2.9Å; R630-V632 PolarHBondContact O-N 2.63Å
631	A	46.8	Very low	43.4	Very low	57 Å²	57	102.5 Å²	102.5	47%	0.471	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-70.5	-10.5	-178.8	0	0	0	0	0	113.6	N628 M633	N628-A631 HydrophobicContact CB-CB 4.28Å; N628-A631 WeakPolarHBondContact O-CB 3.34Å; N628-A631 PolarHBondContact O-N 3.49Å; N628-A631 VanDerWaalsContact O-N 3.16Å; A631-M633 VanDerWaalsContact C-N 3.28Å; A631-M633 PolarHBondContact O-N 3.02Å
632	V	44.2	Very low	43.1	Very low	101 Å²	101	96 Å²	96	61%	0.612	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-74.4	-12.8	-178.6	-177.1	0	0	0	0	113.1	R630 N634	R630-V632 PolarHBondContact O-N 2.63Å; V632-N634 PolarHBondContact O-N 3.35Å
633	M	39.9	Very low	42.6	Very low	176 Å²	176	94 Å²	94	87%	0.867	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-76.1	-15.2	-175.4	-86.2	-160.6	-178.7	0	0	116	A631	A631-M633 VanDerWaalsContact C-N 3.28Å; A631-M633 PolarHBondContact O-N 3.02Å
634	N	35.4	Very low	42.3	Very low	149 Å²	149	93.5 Å²	93.5	80%	0.797	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-106.7	27.4	-168.2	-79.9	-3.9	0	0	0	115.9	V632 A636	V632-N634 PolarHBondContact O-N 3.35Å; N634-A636 PolarHBondContact O-N 2.96Å
635	G	36.4	Very low	41.6	Very low	86 Å²	86	95.5 Å²	95.5	89%	0.887	54%	0.543	S	S	*	.	S	Bend	trans	66.2	-4.5	166.4	0	0	0	0	0	116.9
636	A	34.4	Very low	41.1	Very low	68 Å²	68	97 Å²	97	56%	0.562	54%	0.542	S	S	*	.			trans	-102.7	113.8	168.7	0	0	0	0	0	108.8	N634 V638	N634-A636 PolarHBondContact O-N 2.96Å; A636-V638 PolarHBondContact O-N 3.28Å
637	L	33.1	Very low	40.2	Very low	165 Å²	165	99.2 Å²	99.2	86%	0.864	56%	0.555	S	S	*	*			trans	-63.4	85.4	165	-96	149.7	0	0	0	108.3	K639	L637-K639 PolarHBondContact O-N 2.94Å
638	V	36.5	Very low	39.3	Very low	118 Å²	118	103 Å²	103	72%	0.715	58%	0.576	S	S	*	*			trans	-71.5	92.7	156.7	-177	0	0	0	0	104.9	A636 P640	A636-V638 PolarHBondContact O-N 3.28Å; V638-P640 WeakPolarHBondContact O-CD 3.42Å
639	K	32.9	Very low	38.2	Very low	137 Å²	137	110 Å²	110	60%	0.596	61%	0.609	S	S	*	*			trans	-53.9	124.7	168.7	-81.3	-172.4	175.6	-169.3	0	106.7	L637 T641	L637-K639 PolarHBondContact O-N 2.94Å; K639-T641 PolarHBondContact O-N 2.8Å
640	P	39.3	Very low	37.9	Very low	51 Å²	51	112.6 Å²	112.6	33%	0.331	62%	0.619	S	S	.	*			trans	-54.7	126.5	160.7	-13.3	25.9	0	0	0	106.2	Y627 V638 H642	Y627-P640 HydrophobicContact CD2-CB 4.16Å; Y627-P640 HydrophobicContact CD2-CG 3.63Å; Y627-P640 HydrophobicContact CE2-CG 3.56Å; V638-P640 WeakPolarHBondContact O-CD 3.42Å; P640-H642 PolarHBondContact O-N 3.38Å; P640-H642 VanDerWaalsContact O-N 3.1Å
641	T	41.3	Very low	37.6	Very low	89 Å²	89	107.3 Å²	107.3	55%	0.546	61%	0.609	S	S	.	*	S	Bend	trans	-61.8	-17	176.3	32.4	0	0	0	0	112	K639	K639-T641 PolarHBondContact O-N 2.8Å
642	H	44.6	Very low	37.1	Very low	48 Å²	48	110.1 Å²	110.1	22%	0.222	62%	0.617	C	S	.	*			trans	-105.1	69.8	177.3	-141.2	-100	0	0	0	111.7	E622 P640 I644	E622-H642 IonicContact OE2-CD2 3.33Å; P640-H642 PolarHBondContact O-N 3.38Å; P640-H642 VanDerWaalsContact O-N 3.1Å; H642-I644 VanDerWaalsContact C-N 3.33Å; H642-I644 WeakPolarHBondContact CE1-CD1 3.41Å; H642-I644 WeakPolarHBondContact CE1-CG1 3.41Å; H642-I644 WeakPolarHBondContact ND1-CD1 3.45Å; H642-I644 WeakPolarHBondContact ND1-CG1 3.28Å; H642-I644 PolarHBondContact O-N 2.83Å
643	I	38.1	Very low	36.6	Very low	50 Å²	50	110.6 Å²	110.6	26%	0.256	62%	0.617	S	S	.	*			trans	-83.4	85.2	160.1	-56.9	178.9	0	0	0	107	V645 E646	I643-V645 HydrophobicContact CG2-CB 3.93Å; I643-V645 PolarHBondContact O-N 3.39Å; I643-E646 HydrophobicContact CG2-CB 4.49Å; I643-E646 HydrophobicContact CG2-CG 4.05Å; I643-E646 PolarHBondContact O-N 2.97Å
644	I	44.2	Very low	36.4	Very low	43 Å²	43	106.5 Å²	106.5	22%	0.221	60%	0.601	C	S	.	*	G	3₁₀ helix	trans	-58.2	-17	169	-54.1	179.7	0	0	0	111.2	H642 E646	H642-I644 VanDerWaalsContact C-N 3.33Å; H642-I644 WeakPolarHBondContact CE1-CD1 3.41Å; H642-I644 WeakPolarHBondContact CE1-CG1 3.41Å; H642-I644 WeakPolarHBondContact ND1-CD1 3.45Å; H642-I644 WeakPolarHBondContact ND1-CG1 3.28Å; H642-I644 PolarHBondContact O-N 2.83Å; I644-E646 VanDerWaalsContact C-N 3.35Å; I644-E646 PolarHBondContact O-N 3.4Å
645	V	35.4	Very low	36.5	Very low	50 Å²	50	103.7 Å²	103.7	30%	0.303	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-80.7	-9	-175.3	-173.2	0	0	0	0	113.4	K606 I643 T647 M648	K606-V645 HydrophobicContact CG-CG2 4.21Å; I643-V645 HydrophobicContact CG2-CB 3.93Å; I643-V645 PolarHBondContact O-N 3.39Å; V645-T647 PolarHBondContact O-N 3.09Å; V645-M648 PolarHBondContact O-N 3.35Å
646	E	36.4	Very low	36.5	Very low	139 Å²	139	104.9 Å²	104.9	65%	0.65	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-73.4	-11	177.8	-88.1	-177.9	-176.6	0	0	113.6	I643 I644	I643-E646 HydrophobicContact CG2-CB 4.49Å; I643-E646 HydrophobicContact CG2-CG 4.05Å; I643-E646 PolarHBondContact O-N 2.97Å; I644-E646 VanDerWaalsContact C-N 3.35Å; I644-E646 PolarHBondContact O-N 3.4Å
647	T	35.1	Very low	36.7	Very low	129 Å²	129	107.8 Å²	107.8	79%	0.791	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-90.4	2.9	173.1	-4.1	0	0	0	0	114.3	V645	V645-T647 PolarHBondContact O-N 3.09Å
648	M	31.6	Very low	37	Very low	140 Å²	140	103 Å²	103	69%	0.69	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-125.1	24.9	178.4	-63	-162.6	94.8	0	0	114.2	V645	V645-M648 PolarHBondContact O-N 3.35Å
649	M	28.5	Very low	37	Very low	242 Å²	242	101.6 Å²	101.6	100%	1.192	53%	0.527	S	S	*	.			trans	-116.2	0	163.6	-82.7	-171.3	162.8	0	0	111.4

Retrieved 649 of 649 residues in 198.3 ms (Link to these results)

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