A0A077ZBC8_TRITR Loading...

Nuclear pore protein

AlphaFold DB , UniProt , Accession A0A077ZBC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 714 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	37.1	Very low	39.8	Very low	243 Å²	243	133.4 Å²	133.4	100%	1.197	76%	0.757	S	S	*	*				0	134.9	0	-76.7	-178.9	151.3	0	0	108.3
2	S	39.1	Very low	40.9	Very low	119 Å²	119	131.2 Å²	131.2	83%	0.832	74%	0.741	S	S	*	*			trans	87.8	25.7	173.8	104.9	0	0	0	0	122.9
3	K	35.7	Very low	42.9	Very low	213 Å²	213	128.3 Å²	128.3	93%	0.926	72%	0.723	S	S	*	*			trans	-119	22.7	171.4	-79.1	-167.1	175.2	-173.2	0	116
4	G	35.4	Very low	43.2	Very low	85 Å²	85	127.1 Å²	127.1	88%	0.876	71%	0.713	S	S	*	*	S	Bend	trans	-102.3	12.5	-174.7	0	0	0	0	0	116.8
5	S	39.7	Very low	44	Very low	98 Å²	98	123.7 Å²	123.7	69%	0.685	70%	0.696	S	S	*	*	S	Bend	trans	-127.6	3.2	-174.6	61.3	0	0	0	0	115.4	T9	S5-T9 PolarHBondContact O-OG1 3.06Å
6	G	40.7	Very low	45.1	Very low	38 Å²	38	118.3 Å²	118.3	39%	0.392	67%	0.669	S	S	.	*	S	Bend	trans	-84.6	-36.9	-177.6	0	0	0	0	0	114.8	L8 T9 E10	G6-L8 PolarHBondContact O-N 3.27Å; G6-T9 PolarHBondContact O-N 3.29Å; G6-T9 PolarHBondContact O-OG1 3.32Å; G6-E10 PolarHBondContact O-N 3.26Å
7	E	37.7	Very low	45.7	Very low	176 Å²	176	120.6 Å²	120.6	82%	0.822	67%	0.665	S	S	*	*	H	α-helix	trans	-73.3	-24.3	-170.5	-69.4	177.4	166.4	0	0	113.9
8	L	39.3	Very low	45.6	Very low	137 Å²	137	118.9 Å²	118.9	72%	0.717	66%	0.658	S	S	*	*	H	α-helix	trans	-81	-17.8	175.6	-98.3	146.1	0	0	0	113.7	G6 N12	G6-L8 PolarHBondContact O-N 3.27Å; L8-N12 PolarHBondContact O-ND2 3Å
9	T	47.8	Very low	45.7	Very low	91 Å²	91	119 Å²	119	56%	0.558	65%	0.653	S	S	*	*	H	α-helix	trans	-85.1	-36.3	174.9	33.2	0	0	0	0	111.3	S5 G6 L11 N12 D13	S5-T9 PolarHBondContact O-OG1 3.06Å; G6-T9 PolarHBondContact O-N 3.29Å; G6-T9 PolarHBondContact O-OG1 3.32Å; T9-L11 PolarHBondContact O-N 2.94Å; T9-N12 PolarHBondContact O-N 3.35Å; T9-D13 WeakPolarHBondContact O-CB 3.44Å; T9-D13 PolarHBondContact O-N 3.37Å
10	E	47.1	Very low	46.2	Very low	147 Å²	147	122.2 Å²	122.2	69%	0.687	66%	0.655	S	S	*	*	H	α-helix	trans	-65.5	-37	176.7	-71.8	-176.6	170.4	0	0	113.2	G6 D13 L14	G6-E10 PolarHBondContact O-N 3.26Å; E10-D13 PolarHBondContact O-N 2.94Å; E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3.09Å
11	L	38.2	Very low	46	Very low	120 Å²	120	122 Å²	122	63%	0.628	65%	0.653	S	S	*	*	H	α-helix	trans	-69	-40.1	178	-154.2	85.9	0	0	0	112.4	T9 L14 V15	T9-L11 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 3.49Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.29Å; L11-V15 VanDerWaalsContact O-N 3.07Å
12	N	53.2	Low	46	Very low	107 Å²	107	114.6 Å²	114.6	57%	0.572	63%	0.625	S	S	*	*	H	α-helix	trans	-71.5	-34.5	176.4	-84.3	-41.4	0	0	0	112.3	L8 T9 L14 V15 S16	L8-N12 PolarHBondContact O-ND2 3Å; T9-N12 PolarHBondContact O-N 3.35Å; N12-L14 VanDerWaalsContact C-N 3.32Å; N12-V15 PolarHBondContact O-N 3.17Å; N12-S16 WeakPolarHBondContact O-CB 3.44Å; N12-S16 PolarHBondContact O-N 2.62Å; N12-S16 PolarHBondContact O-OG 3.17Å
13	D	66.2	Low	46.4	Very low	94 Å²	94	114.9 Å²	114.9	50%	0.503	62%	0.618	S	S	.	*	H	α-helix	trans	-68.4	-35.3	175.7	-149.6	45.8	0	0	0	110.9	T9 E10 S16 R17	T9-D13 WeakPolarHBondContact O-CB 3.44Å; T9-D13 PolarHBondContact O-N 3.37Å; E10-D13 PolarHBondContact O-N 2.94Å; D13-S16 PolarHBondContact O-OG 3.39Å; D13-R17 WeakPolarHBondContact O-CB 3.39Å; D13-R17 VanDerWaalsContact O-CG 3.31Å; D13-R17 WeakPolarHBondContact O-CG 3.48Å; D13-R17 PolarHBondContact O-N 2.88Å
14	L	47.5	Very low	46.8	Very low	111 Å²	111	108.2 Å²	108.2	58%	0.581	60%	0.602	S	S	*	*	H	α-helix	trans	-66	-46.3	173.2	-158.6	81.9	0	0	0	112.2	E10 L11 N12 S16 R17 V18	E10-L14 WeakPolarHBondContact O-CB 3.47Å; E10-L14 PolarHBondContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.49Å; N12-L14 VanDerWaalsContact C-N 3.32Å; L14-S16 PolarHBondContact O-N 3.31Å; L14-R17 PolarHBondContact O-N 2.88Å; L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 3.48Å
15	V	55.6	Low	47.1	Very low	76 Å²	76	110.3 Å²	110.3	46%	0.461	60%	0.597	S	S	.	*	H	α-helix	trans	-61.7	-43.4	177	172.3	0	0	0	0	110.9	L11 N12 R17 V18 E19	L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.29Å; L11-V15 VanDerWaalsContact O-N 3.07Å; N12-V15 PolarHBondContact O-N 3.17Å; V15-R17 VanDerWaalsContact C-N 3.34Å; V15-R17 PolarHBondContact O-N 3.33Å; V15-V18 PolarHBondContact O-N 3.33Å; V15-E19 PolarHBondContact O-N 2.95Å
16	S	60.9	Low	46.8	Very low	38 Å²	38	108.3 Å²	108.3	27%	0.266	59%	0.592	S	S	.	*	H	α-helix	trans	-67.8	-30.9	177.5	78.4	0	0	0	0	113.3	N12 D13 L14 R20	N12-S16 WeakPolarHBondContact O-CB 3.44Å; N12-S16 PolarHBondContact O-N 2.62Å; N12-S16 PolarHBondContact O-OG 3.17Å; D13-S16 PolarHBondContact O-OG 3.39Å; L14-S16 PolarHBondContact O-N 3.31Å; S16-R20 WeakPolarHBondContact O-CB 3.24Å; S16-R20 VanDerWaalsContact O-CG 3.3Å; S16-R20 WeakPolarHBondContact O-CG 3.27Å; S16-R20 PolarHBondContact O-N 2.85Å
17	R	56.3	Low	46.6	Very low	157 Å²	157	114.1 Å²	114.1	59%	0.592	62%	0.615	S	S	*	*	H	α-helix	trans	-73.3	-35.9	173.2	-76.8	175.1	80.9	179.2	3.1	112.1	D13 L14 V15 R20 L21	D13-R17 WeakPolarHBondContact O-CB 3.39Å; D13-R17 VanDerWaalsContact O-CG 3.31Å; D13-R17 WeakPolarHBondContact O-CG 3.48Å; D13-R17 PolarHBondContact O-N 2.88Å; L14-R17 PolarHBondContact O-N 2.88Å; V15-R17 VanDerWaalsContact C-N 3.34Å; V15-R17 PolarHBondContact O-N 3.33Å; R17-R20 PolarHBondContact O-N 2.77Å; R17-L21 WeakPolarHBondContact O-CB 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.31Å; R17-L21 PolarHBondContact O-N 2.93Å
18	V	43.8	Very low	46.4	Very low	90 Å²	90	110.3 Å²	110.3	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-67.2	-41.6	173.7	172.2	0	0	0	0	110.7	L14 V15 L21 S22	L14-V18 VanDerWaalsContact O-CG2 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.29Å; L14-V18 PolarHBondContact O-N 3.48Å; V15-V18 PolarHBondContact O-N 3.33Å; V18-L21 PolarHBondContact O-N 2.84Å; V18-S22 WeakPolarHBondContact O-CB 3.23Å; V18-S22 PolarHBondContact O-N 3.41Å
19	E	47.5	Very low	46.1	Very low	121 Å²	121	113.6 Å²	113.6	57%	0.565	62%	0.622	S	S	*	*	H	α-helix	trans	-66.3	-40	173.3	-76.5	-175.7	161.8	0	0	112.3	V15 S22 N23	V15-E19 PolarHBondContact O-N 2.95Å; E19-S22 PolarHBondContact O-N 3.35Å; E19-N23 VanDerWaalsContact O-CB 3.32Å; E19-N23 WeakPolarHBondContact O-CB 3.06Å; E19-N23 PolarHBondContact O-N 2.93Å; E19-N23 PolarHBondContact O-ND2 3.48Å
20	R	55.7	Low	45.2	Very low	183 Å²	183	113.7 Å²	113.7	69%	0.691	63%	0.632	S	S	*	*	H	α-helix	trans	-65.3	-37.8	174.1	-79.3	177.8	179.1	166.5	2.8	112.6	S16 R17 N23 A24	S16-R20 WeakPolarHBondContact O-CB 3.24Å; S16-R20 VanDerWaalsContact O-CG 3.3Å; S16-R20 WeakPolarHBondContact O-CG 3.27Å; S16-R20 PolarHBondContact O-N 2.85Å; R17-R20 PolarHBondContact O-N 2.77Å; R20-N23 PolarHBondContact O-N 3.38Å; R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.26Å
21	L	41.6	Very low	44.4	Very low	118 Å²	118	112.1 Å²	112.1	62%	0.618	63%	0.634	S	S	*	*	H	α-helix	trans	-70.4	-39.5	175.6	-78.6	164.4	0	0	0	111.5	R17 V18 N23 A24 V25	R17-L21 WeakPolarHBondContact O-CB 3.3Å; R17-L21 WeakPolarHBondContact O-CG 3.31Å; R17-L21 PolarHBondContact O-N 2.93Å; V18-L21 PolarHBondContact O-N 2.84Å; L21-N23 VanDerWaalsContact C-N 3.3Å; L21-N23 PolarHBondContact O-N 3.23Å; L21-A24 PolarHBondContact O-N 2.96Å; L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.25Å; L21-V25 PolarHBondContact O-N 2.92Å
22	S	37.2	Very low	44	Very low	87 Å²	87	114.5 Å²	114.5	61%	0.608	65%	0.647	S	S	*	*	H	α-helix	trans	-65.1	-34.4	174.4	-166	0	0	0	0	112.2	V18 E19	V18-S22 WeakPolarHBondContact O-CB 3.23Å; V18-S22 PolarHBondContact O-N 3.41Å; E19-S22 PolarHBondContact O-N 3.35Å
23	N	46.3	Very low	43	Very low	126 Å²	126	116.4 Å²	116.4	67%	0.674	66%	0.657	S	S	*	*	H	α-helix	trans	-82.2	-27.3	177.1	-68.7	-23.4	0	0	0	113.1	E19 R20 L21 G26	E19-N23 VanDerWaalsContact O-CB 3.32Å; E19-N23 WeakPolarHBondContact O-CB 3.06Å; E19-N23 PolarHBondContact O-N 2.93Å; E19-N23 PolarHBondContact O-ND2 3.48Å; R20-N23 PolarHBondContact O-N 3.38Å; L21-N23 VanDerWaalsContact C-N 3.3Å; L21-N23 PolarHBondContact O-N 3.23Å; N23-G26 PolarHBondContact O-N 3.42Å
24	A	44.2	Very low	41.4	Very low	73 Å²	73	117.5 Å²	117.5	60%	0.603	67%	0.669	S	S	*	*	H	α-helix	trans	-75.4	-22.9	177.5	0	0	0	0	0	113.4	R20 L21 G26	R20-A24 WeakPolarHBondContact O-CB 3.42Å; R20-A24 PolarHBondContact O-N 3.26Å; L21-A24 PolarHBondContact O-N 2.96Å; A24-G26 PolarHBondContact O-N 3.34Å
25	V	42.5	Very low	40.7	Very low	128 Å²	128	119.7 Å²	119.7	78%	0.776	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-8	175.8	175.1	0	0	0	0	112	L21	L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.25Å; L21-V25 PolarHBondContact O-N 2.92Å
26	G	34.2	Very low	39.6	Very low	56 Å²	56	118.1 Å²	118.1	58%	0.577	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-15.1	-173.1	0	0	0	0	0	118.3	N23 A24	N23-G26 PolarHBondContact O-N 3.42Å; A24-G26 PolarHBondContact O-N 3.34Å
27	D	35.2	Very low	38.2	Very low	161 Å²	161	119 Å²	119	86%	0.861	69%	0.693	S	S	*	*	S	Bend	trans	-144.6	19	-160.6	-102.7	-24.2	0	0	0	119.1
28	A	33.3	Very low	37.2	Very low	96 Å²	96	119.1 Å²	119.1	79%	0.793	70%	0.703	S	S	*	*			trans	-116.6	108.4	-179.1	0	0	0	0	0	114.7
29	K	33.9	Very low	37.2	Very low	206 Å²	206	118.7 Å²	118.7	90%	0.896	70%	0.704	S	S	*	*			trans	-68.8	125.2	165.5	-76.7	176.1	175.5	174.4	0	111.9
30	A	28.2	Very low	37.1	Very low	93 Å²	93	115.6 Å²	115.6	77%	0.769	70%	0.699	S	S	*	*			trans	64.4	147.2	151.7	0	0	0	0	0	117.5
31	P	31.2	Very low	36.5	Very low	114 Å²	114	111 Å²	111	74%	0.74	69%	0.691	S	S	*	*			cis	-141.6	160.2	48.1	35.8	-14.3	0	0	0	117.4	L33	P31-L33 PolarHBondContact O-N 2.97Å
32	N	29.7	Very low	36.7	Very low	169 Å²	169	109.6 Å²	109.6	90%	0.904	68%	0.683	S	S	*	*			trans	-58.2	112.1	169.3	-64	-39.7	0	0	0	111.6
33	L	31.8	Very low	37.7	Very low	148 Å²	148	110.5 Å²	110.5	78%	0.775	68%	0.682	S	S	*	*			trans	-118	137.3	152.8	-113.3	91.5	0	0	0	108.4	P31 I35	P31-L33 PolarHBondContact O-N 2.97Å; L33-I35 PolarHBondContact O-N 3.01Å
34	P	32.6	Very low	37.7	Very low	117 Å²	117	110 Å²	110	76%	0.76	68%	0.678	S	S	*	*			trans	-67.4	123.7	-179	28.9	-30.4	0	0	0	108	G36	P34-G36 PolarHBondContact O-N 2.74Å
35	I	32.7	Very low	37.4	Very low	157 Å²	157	109.1 Å²	109.1	81%	0.805	67%	0.668	S	S	*	*			trans	-65.5	93.9	170.7	-60.1	172.7	0	0	0	106.2	L33 G37	L33-I35 PolarHBondContact O-N 3.01Å; I35-G37 PolarHBondContact O-N 3.25Å
36	G	33.6	Very low	37.7	Very low	43 Å²	43	106.4 Å²	106.4	44%	0.443	65%	0.649	S	S	.	*			trans	-51.5	132.1	166	0	0	0	0	0	108.1	P34	P34-G36 PolarHBondContact O-N 2.74Å
37	G	31.4	Very low	38.6	Very low	55 Å²	55	110.1 Å²	110.1	57%	0.567	65%	0.649	S	S	*	*			trans	-53.2	167.5	-167.3	0	0	0	0	0	114.5	I35 S39 A40	I35-G37 PolarHBondContact O-N 3.25Å; G37-S39 CarbonylContact O-C 3.59Å; G37-S39 PolarHBondContact O-N 2.91Å; G37-A40 PolarHBondContact O-N 2.93Å
38	M	34.2	Very low	39.1	Very low	161 Å²	161	107.1 Å²	107.1	79%	0.793	63%	0.633	S	S	*	*	H	α-helix	trans	-25.1	-36.7	-178.9	-148.8	121.7	163.3	0	0	116.9	V41 L42	M38-V41 PolarHBondContact O-N 3.29Å; M38-L42 HydrophobicContact CG-CD1 4.19Å; M38-L42 VanDerWaalsContact O-CB 3.28Å; M38-L42 WeakPolarHBondContact O-CB 3.23Å; M38-L42 WeakPolarHBondContact O-CD1 3.4Å; M38-L42 VanDerWaalsContact O-CG 3.28Å; M38-L42 WeakPolarHBondContact O-CG 3.37Å; M38-L42 PolarHBondContact O-N 2.98Å
39	S	44.1	Very low	39.4	Very low	81 Å²	81	110.7 Å²	110.7	57%	0.566	63%	0.626	S	S	*	*	H	α-helix	trans	-58.4	-42.9	173.4	163.2	0	0	0	0	114.8	G37 L42 D43	G37-S39 CarbonylContact O-C 3.59Å; G37-S39 PolarHBondContact O-N 2.91Å; S39-L42 PolarHBondContact O-N 3.48Å; S39-D43 PolarHBondContact O-N 3.35Å
40	A	46.4	Very low	40	Very low	55 Å²	55	109.8 Å²	109.8	46%	0.455	62%	0.617	S	S	.	*	H	α-helix	trans	-73.1	-32.9	-179	0	0	0	0	0	111.9	G37 L44	G37-A40 PolarHBondContact O-N 2.93Å; A40-L44 WeakPolarHBondContact O-CB 3.28Å; A40-L44 PolarHBondContact O-N 2.89Å; A40-L44 VanDerWaalsContact O-N 3.11Å
41	V	42.1	Very low	40.7	Very low	87 Å²	87	112.3 Å²	112.3	53%	0.527	61%	0.613	S	S	.	*	H	α-helix	trans	-70.3	-37.5	172.2	178.4	0	0	0	0	110.7	M38 L44 S45	M38-V41 PolarHBondContact O-N 3.29Å; V41-L44 PolarHBondContact O-N 3.35Å; V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 2.7Å
42	L	46.8	Very low	41	Very low	88 Å²	88	112.2 Å²	112.2	46%	0.461	61%	0.61	S	S	.	*	H	α-helix	trans	-66.6	-40	173.4	-84.5	161.3	0	0	0	112.8	M38 S39 S45 N46	M38-L42 HydrophobicContact CG-CD1 4.19Å; M38-L42 VanDerWaalsContact O-CB 3.28Å; M38-L42 WeakPolarHBondContact O-CB 3.23Å; M38-L42 WeakPolarHBondContact O-CD1 3.4Å; M38-L42 VanDerWaalsContact O-CG 3.28Å; M38-L42 WeakPolarHBondContact O-CG 3.37Å; M38-L42 PolarHBondContact O-N 2.98Å; S39-L42 PolarHBondContact O-N 3.48Å; L42-S45 PolarHBondContact O-N 3.47Å; L42-S45 PolarHBondContact O-OG 3.49Å; L42-S45 VanDerWaalsContact O-OG 3.1Å; L42-N46 VanDerWaalsContact O-CB 3.25Å; L42-N46 WeakPolarHBondContact O-CB 3.29Å; L42-N46 VanDerWaalsContact O-CG 3.25Å; L42-N46 PolarHBondContact O-N 3.22Å; L42-N46 PolarHBondContact O-ND2 3.27Å
43	D	56.4	Low	41.4	Very low	106 Å²	106	107.3 Å²	107.3	57%	0.567	59%	0.593	S	S	*	*	H	α-helix	trans	-68.3	-38.1	176.6	-80.3	-20.5	0	0	0	111.4	S39 K47	S39-D43 PolarHBondContact O-N 3.35Å; D43-K47 VanDerWaalsContact O-CB 3.32Å; D43-K47 WeakPolarHBondContact O-CB 3.41Å; D43-K47 PolarHBondContact O-N 2.85Å
44	L	46.8	Very low	41.6	Very low	115 Å²	115	103.3 Å²	103.3	60%	0.602	59%	0.587	S	S	*	*	H	α-helix	trans	-68.8	-40.6	174.7	-148.6	88	0	0	0	111.6	A40 V41 K47 L48	A40-L44 WeakPolarHBondContact O-CB 3.28Å; A40-L44 PolarHBondContact O-N 2.89Å; A40-L44 VanDerWaalsContact O-N 3.11Å; V41-L44 PolarHBondContact O-N 3.35Å; L44-K47 PolarHBondContact O-N 3.34Å; L44-L48 WeakPolarHBondContact O-CB 3.29Å; L44-L48 PolarHBondContact O-N 3.31Å
45	S	38.8	Very low	41.6	Very low	56 Å²	56	102 Å²	102	39%	0.392	59%	0.586	S	S	.	*	H	α-helix	trans	-66.2	-41.3	177.4	82.2	0	0	0	0	111.5	V41 L42 K47 L48 W49	V41-S45 WeakPolarHBondContact O-CB 3.43Å; V41-S45 PolarHBondContact O-N 2.7Å; L42-S45 PolarHBondContact O-N 3.47Å; L42-S45 PolarHBondContact O-OG 3.49Å; L42-S45 VanDerWaalsContact O-OG 3.1Å; S45-K47 VanDerWaalsContact C-N 3.32Å; S45-K47 PolarHBondContact O-N 2.86Å; S45-L48 PolarHBondContact O-N 3.47Å; S45-W49 WeakPolarHBondContact O-CB 3.11Å; S45-W49 PolarHBondContact O-N 2.97Å
46	N	48	Very low	42	Very low	71 Å²	71	101.7 Å²	101.7	38%	0.38	59%	0.586	S	S	.	*	H	α-helix	trans	-65.2	-34.7	174.5	-79.1	-39.1	0	0	0	112.5	L42 R50	L42-N46 VanDerWaalsContact O-CB 3.25Å; L42-N46 WeakPolarHBondContact O-CB 3.29Å; L42-N46 VanDerWaalsContact O-CG 3.25Å; L42-N46 PolarHBondContact O-N 3.22Å; L42-N46 PolarHBondContact O-ND2 3.27Å; N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 2.87Å
47	K	54.4	Low	42.1	Very low	133 Å²	133	107.1 Å²	107.1	58%	0.578	60%	0.603	S	S	*	*	H	α-helix	trans	-70.6	-44.5	177.1	-156.8	177	-176.7	-175.4	0	111.3	D43 L44 S45 R50 E51	D43-K47 VanDerWaalsContact O-CB 3.32Å; D43-K47 WeakPolarHBondContact O-CB 3.41Å; D43-K47 PolarHBondContact O-N 2.85Å; L44-K47 PolarHBondContact O-N 3.34Å; S45-K47 VanDerWaalsContact C-N 3.32Å; S45-K47 PolarHBondContact O-N 2.86Å; K47-R50 PolarHBondContact O-N 2.89Å; K47-E51 WeakPolarHBondContact O-CG 3.3Å; K47-E51 PolarHBondContact O-N 3.48Å; K47-E51 VanDerWaalsContact O-N 3.08Å
48	L	44.2	Very low	42.7	Very low	98 Å²	98	110.3 Å²	110.3	51%	0.513	61%	0.608	S	S	.	*	H	α-helix	trans	-62	-40.9	172	-96.3	150.7	0	0	0	112	L44 S45 E51 T52	L44-L48 WeakPolarHBondContact O-CB 3.29Å; L44-L48 PolarHBondContact O-N 3.31Å; S45-L48 PolarHBondContact O-N 3.47Å; L48-E51 PolarHBondContact O-N 2.96Å; L48-T52 PolarHBondContact O-N 3.21Å; L48-T52 PolarHBondContact O-OG1 3.02Å
49	W	39.8	Very low	43.1	Very low	172 Å²	172	107.5 Å²	107.5	65%	0.652	60%	0.596	S	S	*	*	H	α-helix	trans	-60.6	-44.1	176.3	-174.1	86.2	0	0	0	111.9	S45 E51 T52 A53	S45-W49 WeakPolarHBondContact O-CB 3.11Å; S45-W49 PolarHBondContact O-N 2.97Å; W49-E51 VanDerWaalsContact C-N 3.33Å; W49-E51 PolarHBondContact O-N 3.49Å; W49-T52 PolarHBondContact O-N 3.1Å; W49-A53 WeakPolarHBondContact O-CB 2.87Å; W49-A53 PolarHBondContact O-N 3.33Å
50	R	47.1	Very low	43.1	Very low	187 Å²	187	106 Å²	106	71%	0.706	59%	0.588	S	S	*	*	H	α-helix	trans	-66.9	-33.5	175.4	-73.4	-178.9	-168	148.3	5.5	113.1	N46 K47	N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 2.87Å; K47-R50 PolarHBondContact O-N 2.89Å
51	E	42.2	Very low	43	Very low	146 Å²	146	106.7 Å²	106.7	68%	0.682	59%	0.589	S	S	*	*	H	α-helix	trans	-77.6	-23	178.9	-74.5	177.7	-176.5	0	0	112.9	K47 L48 W49	K47-E51 WeakPolarHBondContact O-CG 3.3Å; K47-E51 PolarHBondContact O-N 3.48Å; K47-E51 VanDerWaalsContact O-N 3.08Å; L48-E51 PolarHBondContact O-N 2.96Å; W49-E51 VanDerWaalsContact C-N 3.33Å; W49-E51 PolarHBondContact O-N 3.49Å
52	T	38.8	Very low	42.8	Very low	112 Å²	112	108.9 Å²	108.9	69%	0.687	59%	0.592	S	S	*	*	H	α-helix	trans	-99.5	-15.8	178.3	41	0	0	0	0	114.4	L48 W49 G54	L48-T52 PolarHBondContact O-N 3.21Å; L48-T52 PolarHBondContact O-OG1 3.02Å; W49-T52 PolarHBondContact O-N 3.1Å; T52-G54 VanDerWaalsContact C-N 3.32Å; T52-G54 PolarHBondContact O-N 3.06Å
53	A	37.1	Very low	42.6	Very low	66 Å²	66	109.7 Å²	109.7	55%	0.545	59%	0.594	S	S	.	*	S	Bend	trans	-85.5	12.8	-178.1	0	0	0	0	0	115.4	W49	W49-A53 WeakPolarHBondContact O-CB 2.87Å; W49-A53 PolarHBondContact O-N 3.33Å
54	G	36	Very low	41.8	Very low	63 Å²	63	113.2 Å²	113.2	65%	0.649	60%	0.599	S	S	*	*	S	Bend	trans	-97.5	105.2	-178.2	0	0	0	0	0	114.1	T52	T52-G54 VanDerWaalsContact C-N 3.32Å; T52-G54 PolarHBondContact O-N 3.06Å
55	A	33.7	Very low	41.3	Very low	89 Å²	89	110.9 Å²	110.9	74%	0.736	59%	0.592	S	S	*	*	S	Bend	trans	70.3	119.7	159.6	0	0	0	0	0	119.2
56	D	39.9	Very low	41.1	Very low	152 Å²	152	111.7 Å²	111.7	81%	0.813	59%	0.594	S	S	*	*			trans	60.8	123	158.7	-63.4	-24	0	0	0	119
57	I	36.9	Very low	40.6	Very low	156 Å²	156	114.9 Å²	114.9	80%	0.8	61%	0.611	S	S	*	*			trans	131.4	103.2	149.3	-62.3	155.7	0	0	0	113.7
58	D	43.2	Very low	39.8	Very low	123 Å²	123	116 Å²	116	66%	0.658	62%	0.622	S	S	*	*			trans	68.6	128.7	143.8	-140.1	9.4	0	0	0	122.4	A60 S61	D58-A60 PolarHBondContact O-N 3.47Å; D58-A60 VanDerWaalsContact O-N 3.13Å; D58-S61 PolarHBondContact O-N 3.19Å; D58-S61 VanDerWaalsContact O-N 3.11Å
59	D	43.5	Very low	39.4	Very low	102 Å²	102	118.4 Å²	118.4	55%	0.545	64%	0.635	S	S	.	*	H	α-helix	trans	-63.3	-19.3	-173.8	-108.4	-2.3	0	0	0	113.6	S61 K62 Q63	D59-S61 PolarHBondContact O-N 3.14Å; D59-K62 PolarHBondContact O-N 3.39Å; D59-K62 WeakPolarHBondContact OD1-CD 3.47Å; D59-K62 IonicContact OD1-NZ 3.26Å; D59-K62 PolarHBondContact OD1-NZ 3.43Å; D59-Q63 PolarHBondContact O-N 3.14Å
60	A	43.7	Very low	39.1	Very low	48 Å²	48	114.3 Å²	114.3	40%	0.397	62%	0.623	S	S	.	*	H	α-helix	trans	-65.7	-23.8	174.9	0	0	0	0	0	113.3	D58	D58-A60 PolarHBondContact O-N 3.47Å; D58-A60 VanDerWaalsContact O-N 3.13Å
61	S	43.9	Very low	38.7	Very low	70 Å²	70	110 Å²	110	49%	0.49	63%	0.627	S	S	.	*	H	α-helix	trans	-84.7	-27.3	177.3	-62.5	0	0	0	0	112.4	D58 D59 R64 S65	D58-S61 PolarHBondContact O-N 3.19Å; D58-S61 VanDerWaalsContact O-N 3.11Å; D59-S61 PolarHBondContact O-N 3.14Å; S61-R64 PolarHBondContact O-N 3.42Å; S61-S65 PolarHBondContact O-N 3.39Å; S61-S65 PolarHBondContact O-OG 2.8Å
62	K	37.7	Very low	38.3	Very low	134 Å²	134	112.2 Å²	112.2	58%	0.583	64%	0.637	S	S	*	*	H	α-helix	trans	-66	-36.4	172.3	-73.7	-174.4	-164.9	145.4	0	112.5	D59 R64 S65 V66	D59-K62 PolarHBondContact O-N 3.39Å; D59-K62 WeakPolarHBondContact OD1-CD 3.47Å; D59-K62 IonicContact OD1-NZ 3.26Å; D59-K62 PolarHBondContact OD1-NZ 3.43Å; K62-R64 VanDerWaalsContact C-N 3.33Å; K62-S65 PolarHBondContact O-OG 3.43Å; K62-V66 WeakPolarHBondContact O-CG2 3.48Å; K62-V66 PolarHBondContact O-N 3.39Å
63	Q	42.3	Very low	38.1	Very low	105 Å²	105	109.9 Å²	109.9	49%	0.491	64%	0.636	S	S	.	*	H	α-helix	trans	-69.3	-32.2	176.8	-74.6	-179.3	-21.9	0	0	112.1	D59 V66 L67	D59-Q63 PolarHBondContact O-N 3.14Å; Q63-V66 PolarHBondContact O-N 3.16Å; Q63-L67 PolarHBondContact O-N 3.37Å
64	R	40.3	Very low	37.8	Very low	179 Å²	179	113.3 Å²	113.3	68%	0.675	65%	0.65	S	S	*	*	H	α-helix	trans	-74.2	-28.3	178.3	-73.4	178.7	-176.5	159	2.5	113.8	S61 K62	S61-R64 PolarHBondContact O-N 3.42Å; K62-R64 VanDerWaalsContact C-N 3.33Å
65	S	35.6	Very low	37.6	Very low	66 Å²	66	116.1 Å²	116.1	46%	0.462	66%	0.657	S	S	.	*	H	α-helix	trans	-75.1	-27	173	49.6	0	0	0	0	113.5	S61 K62	S61-S65 PolarHBondContact O-N 3.39Å; S61-S65 PolarHBondContact O-OG 2.8Å; K62-S65 PolarHBondContact O-OG 3.43Å
66	V	35.3	Very low	37.5	Very low	73 Å²	73	118.5 Å²	118.5	44%	0.442	66%	0.656	S	S	.	*	H	α-helix	trans	-75.5	-38.8	176.3	172.4	0	0	0	0	110.7	K62 Q63 L68 L69 E70	K62-V66 WeakPolarHBondContact O-CG2 3.48Å; K62-V66 PolarHBondContact O-N 3.39Å; Q63-V66 PolarHBondContact O-N 3.16Å; V66-L68 PolarHBondContact O-N 3.1Å; V66-L68 VanDerWaalsContact O-N 3.16Å; V66-L69 PolarHBondContact O-N 3.48Å; V66-E70 WeakPolarHBondContact CG1-OE1 3.32Å
67	L	36.4	Very low	37.4	Very low	139 Å²	139	114.7 Å²	114.7	73%	0.728	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-15.7	176.6	-99.5	146	0	0	0	115.5	Q63	Q63-L67 PolarHBondContact O-N 3.37Å
68	L	38	Very low	37.2	Very low	155 Å²	155	114.4 Å²	114.4	81%	0.812	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-5.7	-178.9	-105.8	144.2	0	0	0	113.7	V66	V66-L68 PolarHBondContact O-N 3.1Å; V66-L68 VanDerWaalsContact O-N 3.16Å
69	L	36.1	Very low	36.9	Very low	149 Å²	149	113 Å²	113	78%	0.78	63%	0.631	S	S	*	*	S	Bend	trans	-112.4	-1.8	-174.2	-92.6	157.2	0	0	0	114.3	V66	V66-L69 PolarHBondContact O-N 3.48Å
70	E	34.4	Very low	36.7	Very low	87 Å²	87	110.4 Å²	110.4	41%	0.407	62%	0.619	S	S	.	*			trans	-97.2	13.7	-172.2	-70.9	-178.7	174.1	0	0	115	V66 E72 P77	V66-E70 WeakPolarHBondContact CG1-OE1 3.32Å; E70-E72 PolarHBondContact O-N 3.03Å; E70-P77 VanDerWaalsContact CD-CD 3.43Å; E70-P77 WeakPolarHBondContact OE1-CD 3.37Å; E70-P77 WeakPolarHBondContact OE1-CG 3.21Å; E70-P77 WeakPolarHBondContact OE2-CD 3.42Å
71	A	38	Very low	36.6	Very low	95 Å²	95	113.3 Å²	113.3	79%	0.785	63%	0.628	S	S	*	*	S	Bend	trans	-93.3	69	174.2	0	0	0	0	0	111.8
72	E	33.9	Very low	36.6	Very low	193 Å²	193	114.6 Å²	114.6	90%	0.902	63%	0.633	S	S	*	*	S	Bend	trans	161.4	100.7	147.5	-93	-174	-177.4	0	0	110.1	E70	E70-E72 PolarHBondContact O-N 3.03Å
73	G	34	Very low	36.6	Very low	63 Å²	63	113 Å²	113	65%	0.649	63%	0.631	S	S	*	*	S	Bend	trans	80.4	126.9	166.1	0	0	0	0	0	116.2
74	T	30.5	Very low	36.6	Very low	138 Å²	138	111.6 Å²	111.6	85%	0.847	63%	0.626	S	S	*	*	S	Bend	trans	83.2	147.5	169.7	68.1	0	0	0	0	116.4
75	P	33.4	Very low	36.7	Very low	123 Å²	123	108.6 Å²	108.6	80%	0.799	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-74.9	136.6	-132.7	29.2	-34.3	0	0	0	114.2
76	I	30.5	Very low	36.9	Very low	139 Å²	139	109.5 Å²	109.5	71%	0.713	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-53.1	122.9	175.6	-59.1	165.1	0	0	0	109.7
77	P	37.1	Very low	37	Very low	72 Å²	72	115.7 Å²	115.7	47%	0.468	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-64.1	135.3	166.9	-9.9	24.5	0	0	0	108.9	E70 L79	E70-P77 VanDerWaalsContact CD-CD 3.43Å; E70-P77 WeakPolarHBondContact OE1-CD 3.37Å; E70-P77 WeakPolarHBondContact OE1-CG 3.21Å; E70-P77 WeakPolarHBondContact OE2-CD 3.42Å; P77-L79 PolarHBondContact O-N 3.16Å
78	L	34.5	Very low	37.1	Very low	149 Å²	149	115.2 Å²	115.2	78%	0.78	64%	0.641	S	S	*	*			trans	-45.2	131.6	176.3	-96.2	82.1	0	0	0	110.9
79	L	35.9	Very low	37	Very low	95 Å²	95	113.2 Å²	113.2	50%	0.497	64%	0.637	S	S	.	*			trans	-48	136.1	165.8	-96.9	111.1	0	0	0	108.4	P77 D81 L83 L84	P77-L79 PolarHBondContact O-N 3.16Å; L79-D81 PolarHBondContact O-N 3.39Å; L79-L83 HydrophobicContact CD2-CB 3.89Å; L79-L84 HydrophobicContact CB-CD1 3.51Å; L79-L84 HydrophobicContact CB-CG 4.14Å
80	P	39.9	Very low	36.9	Very low	46 Å²	46	110.2 Å²	110.2	30%	0.299	63%	0.633	S	S	.	*			trans	-50.9	130.6	169.7	-21.7	30.8	0	0	0	109	T82 L83 L84	P80-T82 PolarHBondContact O-N 3.03Å; P80-L83 PolarHBondContact O-N 3.36Å; P80-L84 PolarHBondContact O-N 3.13Å
81	D	42.1	Very low	36.8	Very low	109 Å²	109	112.2 Å²	112.2	58%	0.583	64%	0.643	S	S	*	*	H	α-helix	trans	-51.1	-31.7	-176.2	-67.8	-36.8	0	0	0	111.5	L79 L83 L84 E85	L79-D81 PolarHBondContact O-N 3.39Å; D81-L83 VanDerWaalsContact C-N 3.3Å; D81-L83 PolarHBondContact O-N 3.3Å; D81-L84 PolarHBondContact O-N 2.98Å; D81-E85 VanDerWaalsContact O-CB 3.29Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 WeakPolarHBondContact O-CG 3.42Å; D81-E85 PolarHBondContact O-N 3.49Å
82	T	43.2	Very low	36.6	Very low	98 Å²	98	115.8 Å²	115.8	60%	0.601	64%	0.643	S	S	*	*	H	α-helix	trans	-60.1	-26.5	175.1	43.3	0	0	0	0	115.9	P80 A86	P80-T82 PolarHBondContact O-N 3.03Å; T82-A86 PolarHBondContact O-N 3.37Å
83	L	37.7	Very low	36.4	Very low	100 Å²	100	112.7 Å²	112.7	52%	0.524	64%	0.637	S	S	.	*	H	α-helix	trans	-92.8	-25.2	176.4	-76	172.1	0	0	0	112.7	L79 P80 D81	L79-L83 HydrophobicContact CD2-CB 3.89Å; P80-L83 PolarHBondContact O-N 3.36Å; D81-L83 VanDerWaalsContact C-N 3.3Å; D81-L83 PolarHBondContact O-N 3.3Å
84	L	43	Very low	36.4	Very low	75 Å²	75	115.1 Å²	115.1	39%	0.393	64%	0.64	S	S	.	*	H	α-helix	trans	-71.3	-36.9	166.4	-95	144.3	0	0	0	111	L79 P80 D81 A86 R87 Q88	L79-L84 HydrophobicContact CB-CD1 3.51Å; L79-L84 HydrophobicContact CB-CG 4.14Å; P80-L84 PolarHBondContact O-N 3.13Å; D81-L84 PolarHBondContact O-N 2.98Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.5Å; L84-R87 PolarHBondContact O-N 3.24Å; L84-R87 VanDerWaalsContact O-N 3.1Å; L84-Q88 PolarHBondContact O-N 3.46Å; L84-Q88 VanDerWaalsContact O-N 3.09Å
85	E	41.6	Very low	36.5	Very low	117 Å²	117	119.9 Å²	119.9	55%	0.547	64%	0.642	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.2	-26.8	173.2	-76.3	168.9	-172.8	0	0	113	D81 R87	D81-E85 VanDerWaalsContact O-CB 3.29Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 WeakPolarHBondContact O-CG 3.42Å; D81-E85 PolarHBondContact O-N 3.49Å; E85-R87 VanDerWaalsContact C-N 3.29Å
86	A	39.5	Very low	36.7	Very low	84 Å²	84	119.8 Å²	119.8	69%	0.694	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-17.6	173.1	0	0	0	0	0	113.1	T82 L84	T82-A86 PolarHBondContact O-N 3.37Å; L84-A86 VanDerWaalsContact C-N 3.29Å; L84-A86 PolarHBondContact O-N 3.5Å
87	R	38.5	Very low	37	Very low	203 Å²	203	118 Å²	118	77%	0.766	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.5	-16.2	-179.6	-131.4	-178.5	-171.4	-165.7	3	113	L84 E85	L84-R87 PolarHBondContact O-N 3.24Å; L84-R87 VanDerWaalsContact O-N 3.1Å; E85-R87 VanDerWaalsContact C-N 3.29Å
88	Q	37.1	Very low	37.1	Very low	130 Å²	130	119 Å²	119	61%	0.607	65%	0.645	S	S	*	*	S	Bend	trans	-92	136.1	166.6	-66.8	-171.9	-17.4	0	0	108.5	L84 A90	L84-Q88 PolarHBondContact O-N 3.46Å; L84-Q88 VanDerWaalsContact O-N 3.09Å; Q88-A90 VanDerWaalsContact C-N 3.29Å; Q88-A90 PolarHBondContact O-N 2.84Å
89	P	35.3	Very low	37.4	Very low	112 Å²	112	115 Å²	115	73%	0.727	63%	0.627	S	S	*	*			trans	-63	103	163.2	27.7	-28.8	0	0	0	105.7	E91	P89-E91 VanDerWaalsContact C-N 3.3Å; P89-E91 PolarHBondContact O-N 3.47Å
90	A	34.5	Very low	37.8	Very low	86 Å²	86	114.6 Å²	114.6	71%	0.711	63%	0.63	S	S	*	*			trans	-56.9	100.5	169.9	0	0	0	0	0	107.6	Q88 E92	Q88-A90 VanDerWaalsContact C-N 3.29Å; Q88-A90 PolarHBondContact O-N 2.84Å; A90-E92 PolarHBondContact O-N 3.07Å
91	E	33.7	Very low	38	Very low	129 Å²	129	118.8 Å²	118.8	60%	0.603	66%	0.657	S	S	*	*			trans	-71	74.1	168.6	-77.6	176.2	-172	0	0	108.5	P89 K581	P89-E91 VanDerWaalsContact C-N 3.3Å; P89-E91 PolarHBondContact O-N 3.47Å; E91-K581 WeakPolarHBondContact OE1-CD 3.43Å; E91-K581 WeakPolarHBondContact OE1-CE 3.22Å; E91-K581 IonicContact OE1-NZ 2.59Å; E91-K581 PolarHBondContact OE1-NZ 2.94Å
92	E	32.8	Very low	38.5	Very low	171 Å²	171	120.9 Å²	120.9	80%	0.799	67%	0.668	S	S	*	*	S	Bend	trans	-165.3	113.2	153.7	-110.4	166	-169.7	0	0	109.2	A90	A90-E92 PolarHBondContact O-N 3.07Å
93	T	29	Very low	38.9	Very low	127 Å²	127	119.9 Å²	119.9	78%	0.779	66%	0.659	S	S	*	*			trans	81.6	76.5	163.6	65.3	0	0	0	0	120.4
94	V	34.2	Very low	39.7	Very low	115 Å²	115	120.8 Å²	120.8	70%	0.697	67%	0.665	S	S	*	*			trans	-133.1	66.7	142.2	-171.9	0	0	0	0	110.2	Q96	V94-Q96 HydrophobicContact CB-CG 4.43Å; V94-Q96 HydrophobicContact CG1-CB 3.45Å; V94-Q96 VanDerWaalsContact CG1-CB 3.45Å; V94-Q96 HydrophobicContact CG1-CG 3.64Å; V94-Q96 PolarHBondContact O-N 3.35Å
95	R	32.8	Very low	40.3	Very low	237 Å²	237	122 Å²	122	89%	0.894	68%	0.675	S	S	*	*				-68.1	79.4	127.4	-74.3	-176.3	178.5	176.6	0.2	106.5
96	Q	37.7	Very low	40.7	Very low	122 Å²	122	118 Å²	118	57%	0.57	66%	0.662	S	S	*	*			trans	-108.2	92	161.1	-67.9	-179.5	-6	0	0	107.9	V94	V94-Q96 HydrophobicContact CB-CG 4.43Å; V94-Q96 HydrophobicContact CG1-CB 3.45Å; V94-Q96 VanDerWaalsContact CG1-CB 3.45Å; V94-Q96 HydrophobicContact CG1-CG 3.64Å; V94-Q96 PolarHBondContact O-N 3.35Å
97	S	36.2	Very low	41.5	Very low	102 Å²	102	120.3 Å²	120.3	71%	0.713	66%	0.656	S	S	*	*			trans	-5.6	127.8	142.3	-174.7	0	0	0	0	113.2	V99	S97-V99 PolarHBondContact O-N 3.35Å
98	A	39.1	Very low	42.3	Very low	92 Å²	92	115.3 Å²	115.3	76%	0.76	65%	0.645	S	S	*	*			trans	-37.3	108.5	163.9	0	0	0	0	0	109.2	P100	A98-P100 VanDerWaalsContact O-CD 3.29Å; A98-P100 WeakPolarHBondContact O-CD 3.43Å; A98-P100 VanDerWaalsContact O-N 3.1Å
99	V	40.8	Very low	43.5	Very low	66 Å²	66	111.8 Å²	111.8	40%	0.4	64%	0.638	S	S	.	*			trans	-59.9	118.1	172.9	177.5	0	0	0	0	104.9	S97 D103 A106	S97-V99 PolarHBondContact O-N 3.35Å; V99-D103 HydrophobicContact CG1-CB 3.79Å; V99-A106 HydrophobicContact CG1-CB 4.36Å; V99-A106 HydrophobicContact CG2-CB 4.16Å
100	P	46.1	Very low	44.8	Very low	86 Å²	86	110.7 Å²	110.7	56%	0.558	63%	0.626	S	S	*	*			trans	-57.9	149.5	178.3	22.6	-30.3	0	0	0	108.7	A98 N102 D103	A98-P100 VanDerWaalsContact O-CD 3.29Å; A98-P100 WeakPolarHBondContact O-CD 3.43Å; A98-P100 VanDerWaalsContact O-N 3.1Å; P100-N102 PolarHBondContact O-N 2.94Å; P100-D103 PolarHBondContact O-N 3.46Å
101	P	43.7	Very low	46.1	Very low	133 Å²	133	113.5 Å²	113.5	86%	0.864	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	19.4	-166.8	27.3	-34.5	0	0	0	115.4
102	N	51.7	Low	47.2	Very low	154 Å²	154	116.1 Å²	116.1	82%	0.824	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129	5.3	-179	-89.1	-0.3	0	0	0	114.9	P100	P100-N102 PolarHBondContact O-N 2.94Å
103	D	51.4	Low	48.4	Very low	76 Å²	76	114.8 Å²	114.8	41%	0.406	61%	0.614	S	S	.	*			trans	-102.9	85.2	175.7	-158.5	-11	0	0	0	111.9	V99 P100 T105	V99-D103 HydrophobicContact CG1-CB 3.79Å; P100-D103 PolarHBondContact O-N 3.46Å; D103-T105 PolarHBondContact O-N 2.85Å; D103-T105 VanDerWaalsContact O-N 3.11Å; D103-T105 PolarHBondContact OD1-N 2.85Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å
104	N	55	Low	50	Low	120 Å²	120	113.8 Å²	113.8	64%	0.642	60%	0.604	S	S	*	*	H	α-helix	trans	-57.2	-24	177.9	-71.1	-27.2	0	0	0	112.2	L108	N104-L108 HydrophobicContact CB-CD1 4.45Å; N104-L108 WeakPolarHBondContact O-CB 3.47Å; N104-L108 VanDerWaalsContact O-CD1 3.25Å; N104-L108 WeakPolarHBondContact O-CD1 3.18Å; N104-L108 WeakPolarHBondContact O-CG 3.33Å; N104-L108 PolarHBondContact O-N 3.37Å; N104-L108 VanDerWaalsContact O-N 3.08Å
105	T	56.1	Low	51.2	Low	99 Å²	99	112.8 Å²	112.8	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-75.2	-46.7	-169.8	66.1	0	0	0	0	113.1	D103 L108 A109	D103-T105 PolarHBondContact O-N 2.85Å; D103-T105 VanDerWaalsContact O-N 3.11Å; D103-T105 PolarHBondContact OD1-N 2.85Å; D103-T105 PolarHBondContact OD1-OG1 3.03Å; T105-L108 PolarHBondContact O-N 3.36Å; T105-A109 WeakPolarHBondContact O-CB 3.49Å; T105-A109 PolarHBondContact O-N 3.46Å
106	A	50.1	Low	52.2	Low	33 Å²	33	106.7 Å²	106.7	27%	0.273	58%	0.578	S	S	.	*	H	α-helix	trans	-71.3	-38.3	179.9	0	0	0	0	0	112.2	V99 L108 A109 N110	V99-A106 HydrophobicContact CG1-CB 4.36Å; V99-A106 HydrophobicContact CG2-CB 4.16Å; A106-L108 VanDerWaalsContact C-N 3.35Å; A106-A109 PolarHBondContact O-N 3.46Å; A106-N110 PolarHBondContact O-N 3.4Å
107	F	56.2	Low	52.9	Low	133 Å²	133	105.3 Å²	105.3	58%	0.583	58%	0.577	S	S	*	*	H	α-helix	trans	-60.9	-44.9	172.3	177.7	-97.3	0	0	0	111.2	A109 N110 R111	F107-A109 VanDerWaalsContact C-N 3.3Å; F107-A109 PolarHBondContact O-N 2.82Å; F107-N110 PolarHBondContact O-N 3.37Å; F107-R111 WeakPolarHBondContact O-CB 3.25Å; F107-R111 PolarHBondContact O-N 3.31Å
108	L	55.7	Low	54.1	Low	99 Å²	99	106 Å²	106	52%	0.518	57%	0.57	S	S	.	*	H	α-helix	trans	-65	-32.8	175.8	-72.9	170.5	0	0	0	112.4	N104 T105 A106 R112	N104-L108 HydrophobicContact CB-CD1 4.45Å; N104-L108 WeakPolarHBondContact O-CB 3.47Å; N104-L108 VanDerWaalsContact O-CD1 3.25Å; N104-L108 WeakPolarHBondContact O-CD1 3.18Å; N104-L108 WeakPolarHBondContact O-CG 3.33Å; N104-L108 PolarHBondContact O-N 3.37Å; N104-L108 VanDerWaalsContact O-N 3.08Å; T105-L108 PolarHBondContact O-N 3.36Å; A106-L108 VanDerWaalsContact C-N 3.35Å; L108-R112 VanDerWaalsContact O-CB 3.31Å; L108-R112 WeakPolarHBondContact O-CB 3.46Å; L108-R112 WeakPolarHBondContact O-CG 3.44Å; L108-R112 PolarHBondContact O-N 3.5Å
109	A	62.2	Low	54.6	Low	56 Å²	56	104.3 Å²	104.3	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-67.9	-47.3	176.6	0	0	0	0	0	112.4	T105 A106 F107 R112 K113	T105-A109 WeakPolarHBondContact O-CB 3.49Å; T105-A109 PolarHBondContact O-N 3.46Å; A106-A109 PolarHBondContact O-N 3.46Å; F107-A109 VanDerWaalsContact C-N 3.3Å; F107-A109 PolarHBondContact O-N 2.82Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 3.33Å; A109-K113 PolarHBondContact O-N 3.21Å
110	N	62	Low	55	Low	88 Å²	88	105 Å²	105	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-67.7	-41.4	175.9	-83.3	-7.1	0	0	0	111.8	A106 F107 R112 K113 D114	A106-N110 PolarHBondContact O-N 3.4Å; F107-N110 PolarHBondContact O-N 3.37Å; N110-R112 VanDerWaalsContact C-N 3.26Å; N110-R112 PolarHBondContact O-N 2.67Å; N110-K113 PolarHBondContact O-N 3.15Å; N110-D114 PolarHBondContact O-N 3.1Å
111	R	62.2	Low	55.2	Low	146 Å²	146	105.9 Å²	105.9	55%	0.551	56%	0.56	S	S	*	*	H	α-helix	trans	-58.8	-38.3	173.3	-165.7	79.1	171.4	165.6	1.5	111.3	F107 L115	F107-R111 WeakPolarHBondContact O-CB 3.25Å; F107-R111 PolarHBondContact O-N 3.31Å; R111-L115 HydrophobicContact CG-CD1 4.19Å; R111-L115 VanDerWaalsContact O-CB 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.5Å; R111-L115 WeakPolarHBondContact O-CD1 3.4Å; R111-L115 WeakPolarHBondContact O-CG 3.32Å; R111-L115 PolarHBondContact O-N 2.93Å
112	R	56.1	Low	55.8	Low	183 Å²	183	103.7 Å²	103.7	69%	0.691	54%	0.541	S	S	*	.	H	α-helix	trans	-63.3	-44.4	172.5	-88.4	179.3	179.6	177.4	-0.1	111.8	L108 A109 N110 L115 I116	L108-R112 VanDerWaalsContact O-CB 3.31Å; L108-R112 WeakPolarHBondContact O-CB 3.46Å; L108-R112 WeakPolarHBondContact O-CG 3.44Å; L108-R112 PolarHBondContact O-N 3.5Å; A109-R112 WeakPolarHBondContact O-CB 3.41Å; A109-R112 PolarHBondContact O-N 3.33Å; N110-R112 VanDerWaalsContact C-N 3.26Å; N110-R112 PolarHBondContact O-N 2.67Å; R112-L115 PolarHBondContact O-N 3.34Å; R112-I116 WeakPolarHBondContact O-CB 3.48Å; R112-I116 WeakPolarHBondContact O-CD1 3.3Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 3.21Å
113	K	58.8	Low	55.7	Low	143 Å²	143	98.8 Å²	98.8	62%	0.622	52%	0.521	S	S	*	.	H	α-helix	trans	-62	-46.6	179.1	-165.6	177.1	-179.7	177.5	0	111.6	A109 N110 L115 I116 V117	A109-K113 PolarHBondContact O-N 3.21Å; N110-K113 PolarHBondContact O-N 3.15Å; K113-L115 PolarHBondContact O-N 2.97Å; K113-I116 PolarHBondContact O-N 3.23Å; K113-V117 WeakPolarHBondContact O-CG2 3.42Å; K113-V117 PolarHBondContact O-N 2.93Å
114	D	62.4	Low	55.4	Low	106 Å²	106	98.8 Å²	98.8	57%	0.567	52%	0.521	S	S	*	.	H	α-helix	trans	-63.2	-42.6	177.5	-70.3	-17.4	0	0	0	112	N110 I116 V117 Q118	N110-D114 PolarHBondContact O-N 3.1Å; D114-I116 VanDerWaalsContact C-N 3.31Å; D114-I116 PolarHBondContact O-N 3.48Å; D114-V117 PolarHBondContact O-N 3.41Å; D114-Q118 WeakPolarHBondContact O-CB 3.37Å; D114-Q118 PolarHBondContact O-N 2.96Å
115	L	58.2	Low	55.2	Low	95 Å²	95	96.1 Å²	96.1	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-35.6	175.7	-74.8	169.7	0	0	0	112.3	R111 R112 K113 A119	R111-L115 HydrophobicContact CG-CD1 4.19Å; R111-L115 VanDerWaalsContact O-CB 3.32Å; R111-L115 WeakPolarHBondContact O-CB 3.5Å; R111-L115 WeakPolarHBondContact O-CD1 3.4Å; R111-L115 WeakPolarHBondContact O-CG 3.32Å; R111-L115 PolarHBondContact O-N 2.93Å; R112-L115 PolarHBondContact O-N 3.34Å; K113-L115 PolarHBondContact O-N 2.97Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 2.92Å
116	I	53.7	Low	54.7	Low	109 Å²	109	96.6 Å²	96.6	56%	0.559	51%	0.511	S	S	*	.	H	α-helix	trans	-66.8	-46.8	174.9	-70.2	162.3	0	0	0	110.3	R112 K113 D114 Q118 A119 V120	R112-I116 WeakPolarHBondContact O-CB 3.48Å; R112-I116 WeakPolarHBondContact O-CD1 3.3Å; R112-I116 WeakPolarHBondContact O-CG1 3.46Å; R112-I116 PolarHBondContact O-N 3.21Å; K113-I116 PolarHBondContact O-N 3.23Å; D114-I116 VanDerWaalsContact C-N 3.31Å; D114-I116 PolarHBondContact O-N 3.48Å; I116-Q118 VanDerWaalsContact C-N 3.35Å; I116-Q118 PolarHBondContact O-N 2.82Å; I116-A119 PolarHBondContact O-N 3.41Å; I116-V120 HydrophobicContact CG2-CG2 4.46Å; I116-V120 VanDerWaalsContact O-CG2 3.31Å; I116-V120 WeakPolarHBondContact O-CG2 3.26Å; I116-V120 PolarHBondContact O-N 2.91Å
117	V	53.2	Low	54.4	Low	92 Å²	92	98.9 Å²	98.9	56%	0.558	52%	0.521	S	S	*	.	H	α-helix	trans	-61	-46	178.5	172.9	0	0	0	0	110.6	K113 D114 A119 V120 D121	K113-V117 WeakPolarHBondContact O-CG2 3.42Å; K113-V117 PolarHBondContact O-N 2.93Å; D114-V117 PolarHBondContact O-N 3.41Å; V117-A119 PolarHBondContact O-N 3.48Å; V117-V120 PolarHBondContact O-N 2.81Å; V117-D121 PolarHBondContact O-N 3.29Å
118	Q	61.6	Low	53.7	Low	117 Å²	117	98.3 Å²	98.3	55%	0.547	52%	0.524	S	S	.	.	H	α-helix	trans	-63	-42	177.4	-169.1	175.3	0.3	0	0	111.9	D114 I116 V120 D121 D122	D114-Q118 WeakPolarHBondContact O-CB 3.37Å; D114-Q118 PolarHBondContact O-N 2.96Å; I116-Q118 VanDerWaalsContact C-N 3.35Å; I116-Q118 PolarHBondContact O-N 2.82Å; Q118-V120 VanDerWaalsContact C-N 3.32Å; Q118-V120 PolarHBondContact O-N 3.49Å; Q118-D121 PolarHBondContact O-N 3.46Å; Q118-D122 WeakPolarHBondContact O-CB 3.4Å; Q118-D122 PolarHBondContact O-N 2.91Å
119	A	49.9	Very low	53.1	Low	57 Å²	57	101 Å²	101	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-64.8	-34.8	176.3	0	0	0	0	0	112.8	L115 I116 V117 A123	L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 2.92Å; I116-A119 PolarHBondContact O-N 3.41Å; V117-A119 PolarHBondContact O-N 3.48Å; A119-A123 WeakPolarHBondContact O-CB 3.43Å; A119-A123 PolarHBondContact O-N 3.25Å
120	V	49.4	Very low	52.2	Low	79 Å²	79	105.1 Å²	105.1	48%	0.479	54%	0.536	S	S	.	.	H	α-helix	trans	-69	-41.6	174.7	170.8	0	0	0	0	110.9	I116 V117 Q118 A123 L124	I116-V120 HydrophobicContact CG2-CG2 4.46Å; I116-V120 VanDerWaalsContact O-CG2 3.31Å; I116-V120 WeakPolarHBondContact O-CG2 3.26Å; I116-V120 PolarHBondContact O-N 2.91Å; V117-V120 PolarHBondContact O-N 2.81Å; Q118-V120 VanDerWaalsContact C-N 3.32Å; Q118-V120 PolarHBondContact O-N 3.49Å; V120-A123 PolarHBondContact O-N 3.34Å; V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.4Å; V120-L124 WeakPolarHBondContact O-CB 3.3Å; V120-L124 VanDerWaalsContact O-CG 3.3Å; V120-L124 WeakPolarHBondContact O-CG 3.27Å; V120-L124 PolarHBondContact O-N 3.06Å
121	D	50.4	Low	51.4	Low	106 Å²	106	106 Å²	106	57%	0.567	54%	0.54	S	S	*	.	H	α-helix	trans	-69.3	-39.4	179.4	-141.5	30.9	0	0	0	111.7	V117 Q118 L124 S125	V117-D121 PolarHBondContact O-N 3.29Å; Q118-D121 PolarHBondContact O-N 3.46Å; D121-L124 PolarHBondContact O-N 2.87Å; D121-S125 VanDerWaalsContact O-CB 3.28Å; D121-S125 WeakPolarHBondContact O-CB 3.4Å; D121-S125 PolarHBondContact O-N 3.39Å; D121-S125 PolarHBondContact O-OG 3.06Å
122	D	55.2	Low	50.6	Low	87 Å²	87	103.2 Å²	103.2	47%	0.465	53%	0.531	S	S	.	.	H	α-helix	trans	-65.2	-41.5	171.9	-75.3	-17	0	0	0	111.1	Q118 S125 N126	Q118-D122 WeakPolarHBondContact O-CB 3.4Å; Q118-D122 PolarHBondContact O-N 2.91Å; D122-S125 PolarHBondContact O-N 3.31Å; D122-N126 VanDerWaalsContact O-CB 3.24Å; D122-N126 WeakPolarHBondContact O-CB 3.34Å; D122-N126 PolarHBondContact O-N 3.1Å; D122-N126 PolarHBondContact O-ND2 3.4Å; D122-N126 VanDerWaalsContact O-ND2 3.08Å
123	A	49.2	Very low	50.4	Low	50 Å²	50	97.5 Å²	97.5	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-66.1	-43.5	176.5	0	0	0	0	0	111.8	A119 V120 N126 V127	A119-A123 WeakPolarHBondContact O-CB 3.43Å; A119-A123 PolarHBondContact O-N 3.25Å; V120-A123 PolarHBondContact O-N 3.34Å; A123-N126 PolarHBondContact O-N 2.68Å; A123-V127 WeakPolarHBondContact O-CB 3.21Å; A123-V127 WeakPolarHBondContact O-CG2 3.17Å; A123-V127 PolarHBondContact O-N 3.5Å
124	L	45.1	Very low	50.3	Low	76 Å²	76	94 Å²	94	40%	0.398	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-44.2	175.8	-76.4	169.5	0	0	0	110.9	V120 D121 N126 V127 L128	V120-L124 HydrophobicContact CG1-CD1 3.92Å; V120-L124 HydrophobicContact CG1-CG 4.4Å; V120-L124 WeakPolarHBondContact O-CB 3.3Å; V120-L124 VanDerWaalsContact O-CG 3.3Å; V120-L124 WeakPolarHBondContact O-CG 3.27Å; V120-L124 PolarHBondContact O-N 3.06Å; D121-L124 PolarHBondContact O-N 2.87Å; L124-N126 VanDerWaalsContact C-N 3.34Å; L124-N126 PolarHBondContact O-N 2.97Å; L124-V127 PolarHBondContact O-N 3.3Å; L124-L128 VanDerWaalsContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.33Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.37Å
125	S	50.8	Low	49.7	Very low	65 Å²	65	95.6 Å²	95.6	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-62.3	-42	176.3	-62.6	0	0	0	0	111.7	D121 D122 Y129	D121-S125 VanDerWaalsContact O-CB 3.28Å; D121-S125 WeakPolarHBondContact O-CB 3.4Å; D121-S125 PolarHBondContact O-N 3.39Å; D121-S125 PolarHBondContact O-OG 3.06Å; D122-S125 PolarHBondContact O-N 3.31Å; S125-Y129 VanDerWaalsContact O-CB 3.24Å; S125-Y129 WeakPolarHBondContact O-CB 3.33Å; S125-Y129 PolarHBondContact O-N 3.49Å
126	N	46.1	Very low	49.1	Very low	108 Å²	108	93.6 Å²	93.6	58%	0.578	49%	0.493	S	S	*	.	H	α-helix	trans	-69	-40.3	176.6	-76.1	-32.8	0	0	0	112.6	D122 A123 L124 Y129 F130	D122-N126 VanDerWaalsContact O-CB 3.24Å; D122-N126 WeakPolarHBondContact O-CB 3.34Å; D122-N126 PolarHBondContact O-N 3.1Å; D122-N126 PolarHBondContact O-ND2 3.4Å; D122-N126 VanDerWaalsContact O-ND2 3.08Å; A123-N126 PolarHBondContact O-N 2.68Å; L124-N126 VanDerWaalsContact C-N 3.34Å; L124-N126 PolarHBondContact O-N 2.97Å; N126-Y129 PolarHBondContact O-N 3.34Å; N126-F130 WeakPolarHBondContact O-CA 3.48Å; N126-F130 WeakPolarHBondContact O-CB 3.44Å; N126-F130 PolarHBondContact O-N 3.45Å
127	V	43.1	Very low	49.5	Very low	82 Å²	82	91.2 Å²	91.2	50%	0.497	49%	0.489	S	S	.	.	H	α-helix	trans	-64.9	-45.6	175.4	169.1	0	0	0	0	109.9	A123 L124 Y129 F130 D131	A123-V127 WeakPolarHBondContact O-CB 3.21Å; A123-V127 WeakPolarHBondContact O-CG2 3.17Å; A123-V127 PolarHBondContact O-N 3.5Å; L124-V127 PolarHBondContact O-N 3.3Å; V127-Y129 VanDerWaalsContact C-N 3.34Å; V127-Y129 PolarHBondContact O-N 3.34Å; V127-F130 PolarHBondContact O-N 3.04Å; V127-D131 WeakPolarHBondContact O-CB 3.25Å; V127-D131 PolarHBondContact O-N 3.4Å
128	L	41.9	Very low	49.9	Very low	121 Å²	121	88.6 Å²	88.6	63%	0.634	48%	0.481	S	S	*	.	H	α-helix	trans	-62.3	-41.6	177	-70.6	171.2	0	0	0	111.6	L124 Y132	L124-L128 VanDerWaalsContact O-CB 3.31Å; L124-L128 WeakPolarHBondContact O-CB 3.33Å; L124-L128 WeakPolarHBondContact O-CG 3.27Å; L124-L128 PolarHBondContact O-N 3.37Å; L128-Y132 WeakPolarHBondContact O-CB 3.23Å; L128-Y132 PolarHBondContact O-N 3.06Å; L128-Y132 VanDerWaalsContact O-N 3.11Å
129	Y	43.7	Very low	49.5	Very low	156 Å²	156	88.4 Å²	88.4	61%	0.612	48%	0.475	S	S	*	.	H	α-helix	trans	-69.1	-39.2	176.4	-169.1	-104.9	0	0	0	112.2	S125 N126 V127 N133	S125-Y129 VanDerWaalsContact O-CB 3.24Å; S125-Y129 WeakPolarHBondContact O-CB 3.33Å; S125-Y129 PolarHBondContact O-N 3.49Å; N126-Y129 PolarHBondContact O-N 3.34Å; V127-Y129 VanDerWaalsContact C-N 3.34Å; V127-Y129 PolarHBondContact O-N 3.34Å; Y129-N133 VanDerWaalsContact CD1-ND2 3.31Å; Y129-N133 WeakPolarHBondContact CD1-ND2 3.44Å; Y129-N133 WeakPolarHBondContact CE1-ND2 3.33Å; Y129-N133 VanDerWaalsContact CZ-ND2 3.26Å; Y129-N133 WeakPolarHBondContact O-CB 3.22Å; Y129-N133 VanDerWaalsContact O-CG 3.26Å; Y129-N133 PolarHBondContact O-N 3.49Å; Y129-N133 PolarHBondContact O-ND2 3.06Å
130	F	42.8	Very low	49.8	Very low	142 Å²	142	90.3 Å²	90.3	62%	0.623	48%	0.475	S	S	*	.	H	α-helix	trans	-73	-45.2	-179.9	-170.4	-91.3	0	0	0	112.2	N126 V127 Y132 N133 T134	N126-F130 WeakPolarHBondContact O-CA 3.48Å; N126-F130 WeakPolarHBondContact O-CB 3.44Å; N126-F130 PolarHBondContact O-N 3.45Å; V127-F130 PolarHBondContact O-N 3.04Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 2.96Å; F130-N133 PolarHBondContact O-N 3.42Å; F130-T134 WeakPolarHBondContact CD1-OG1 3.36Å; F130-T134 WeakPolarHBondContact CE1-OG1 3.37Å; F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 PolarHBondContact O-N 3.29Å; F130-T134 PolarHBondContact O-OG1 3.45Å
131	D	46.1	Very low	50.6	Low	106 Å²	106	91 Å²	91	57%	0.567	47%	0.473	S	S	*	.	H	α-helix	trans	-61.4	-43.5	174.4	-99.8	-1.4	0	0	0	110.5	V127 T134 Y135	V127-D131 WeakPolarHBondContact O-CB 3.25Å; V127-D131 PolarHBondContact O-N 3.4Å; D131-T134 PolarHBondContact O-N 2.91Å; D131-Y135 WeakPolarHBondContact O-CB 3.38Å; D131-Y135 PolarHBondContact O-N 3.21Å
132	Y	45.1	Very low	51.2	Low	88 Å²	88	93.7 Å²	93.7	35%	0.345	48%	0.48	S	S	.	.	H	α-helix	trans	-61	-49.9	176.5	-176.2	-94.3	0	0	0	111.4	L128 F130 T134 Y135 I136 R445	L128-Y132 WeakPolarHBondContact O-CB 3.23Å; L128-Y132 PolarHBondContact O-N 3.06Å; L128-Y132 VanDerWaalsContact O-N 3.11Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 2.96Å; Y132-T134 PolarHBondContact O-N 2.88Å; Y132-Y135 PolarHBondContact O-N 3.01Å; Y132-I136 HydrophobicContact CD1-CG1 4.27Å; Y132-I136 HydrophobicContact CE1-CG1 3.83Å; Y132-I136 HydrophobicContact CE2-CG1 4.42Å; Y132-I136 VanDerWaalsContact O-CG1 3.25Å; Y132-I136 WeakPolarHBondContact O-CG1 3.4Å; Y132-I136 PolarHBondContact O-N 3.33Å; Y132-R445 WeakPolarHBondContact OH-CD 3.45Å; Y132-R445 PolarHBondContact OH-NE 3Å
133	N	51.8	Low	50.8	Low	63 Å²	63	91.8 Å²	91.8	34%	0.337	47%	0.466	S	S	.	.	H	α-helix	trans	-66.8	-36.5	179.3	-75.2	-25.4	0	0	0	113.1	Y129 F130 I136 A137	Y129-N133 VanDerWaalsContact CD1-ND2 3.31Å; Y129-N133 WeakPolarHBondContact CD1-ND2 3.44Å; Y129-N133 WeakPolarHBondContact CE1-ND2 3.33Å; Y129-N133 VanDerWaalsContact CZ-ND2 3.26Å; Y129-N133 WeakPolarHBondContact O-CB 3.22Å; Y129-N133 VanDerWaalsContact O-CG 3.26Å; Y129-N133 PolarHBondContact O-N 3.49Å; Y129-N133 PolarHBondContact O-ND2 3.06Å; F130-N133 PolarHBondContact O-N 3.42Å; N133-I136 PolarHBondContact O-N 2.8Å; N133-A137 WeakPolarHBondContact O-CB 3.44Å; N133-A137 PolarHBondContact O-N 2.88Å
134	T	57.3	Low	51.4	Low	69 Å²	69	96.9 Å²	96.9	42%	0.423	48%	0.475	S	S	.	.	H	α-helix	trans	-69.7	-41.2	177.7	-54.8	0	0	0	0	110.8	F130 D131 Y132 A137 G138	F130-T134 WeakPolarHBondContact CD1-OG1 3.36Å; F130-T134 WeakPolarHBondContact CE1-OG1 3.37Å; F130-T134 WeakPolarHBondContact O-CB 3.44Å; F130-T134 PolarHBondContact O-N 3.29Å; F130-T134 PolarHBondContact O-OG1 3.45Å; D131-T134 PolarHBondContact O-N 2.91Å; Y132-T134 PolarHBondContact O-N 2.88Å; T134-A137 PolarHBondContact O-N 3.35Å; T134-G138 PolarHBondContact O-N 2.65Å
135	Y	49.2	Very low	52.4	Low	139 Å²	139	98.6 Å²	98.6	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-59.2	-46.9	172.4	171.1	-98.9	0	0	0	111.3	D131 Y132 R139	D131-Y135 WeakPolarHBondContact O-CB 3.38Å; D131-Y135 PolarHBondContact O-N 3.21Å; Y132-Y135 PolarHBondContact O-N 3.01Å; Y135-R139 WeakPolarHBondContact O-CB 3.38Å; Y135-R139 PolarHBondContact O-N 3.29Å; Y135-R139 PolarHBondContact OH-NH1 3.03Å
136	I	46.5	Very low	52.2	Low	54 Å²	54	99 Å²	99	28%	0.277	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-47.1	176	-66.3	-65.3	0	0	0	111	Y132 N133 G138 R139 M140	Y132-I136 HydrophobicContact CD1-CG1 4.27Å; Y132-I136 HydrophobicContact CE1-CG1 3.83Å; Y132-I136 HydrophobicContact CE2-CG1 4.42Å; Y132-I136 VanDerWaalsContact O-CG1 3.25Å; Y132-I136 WeakPolarHBondContact O-CG1 3.4Å; Y132-I136 PolarHBondContact O-N 3.33Å; N133-I136 PolarHBondContact O-N 2.8Å; I136-G138 PolarHBondContact O-N 2.87Å; I136-R139 PolarHBondContact O-N 2.99Å; I136-M140 HydrophobicContact CG2-CG 4.27Å; I136-M140 WeakPolarHBondContact O-CB 3.37Å; I136-M140 VanDerWaalsContact O-CG 3.28Å; I136-M140 WeakPolarHBondContact O-CG 3.41Å; I136-M140 PolarHBondContact O-N 3.43Å
137	A	61.4	Low	52.3	Low	58 Å²	58	95.5 Å²	95.5	48%	0.479	46%	0.458	S	S	.	.	H	α-helix	trans	-60.4	-43.5	178.7	0	0	0	0	0	112.1	N133 T134 R139 M140 E141	N133-A137 WeakPolarHBondContact O-CB 3.44Å; N133-A137 PolarHBondContact O-N 2.88Å; T134-A137 PolarHBondContact O-N 3.35Å; A137-R139 VanDerWaalsContact C-N 3.32Å; A137-R139 PolarHBondContact O-N 2.87Å; A137-M140 PolarHBondContact O-N 2.8Å; A137-E141 PolarHBondContact O-N 3.45Å
138	G	62.4	Low	52.8	Low	37 Å²	37	97.9 Å²	97.9	38%	0.381	46%	0.463	S	S	.	.	H	α-helix	trans	-64.4	-34.9	176.3	0	0	0	0	0	113.1	T134 I136 K142	T134-G138 PolarHBondContact O-N 2.65Å; I136-G138 PolarHBondContact O-N 2.87Å; G138-K142 WeakPolarHBondContact O-CG 3.26Å; G138-K142 PolarHBondContact O-N 2.89Å
139	R	53	Low	53.2	Low	114 Å²	114	99.5 Å²	99.5	43%	0.43	47%	0.465	S	S	.	.	H	α-helix	trans	-71.6	-38.5	174.2	-159.3	173.3	179.3	130.9	0.1	111.6	Y135 I136 A137 W143 S409	Y135-R139 WeakPolarHBondContact O-CB 3.38Å; Y135-R139 PolarHBondContact O-N 3.29Å; Y135-R139 PolarHBondContact OH-NH1 3.03Å; I136-R139 PolarHBondContact O-N 2.99Å; A137-R139 VanDerWaalsContact C-N 3.32Å; A137-R139 PolarHBondContact O-N 2.87Å; R139-W143 WeakPolarHBondContact O-CB 3.35Å; R139-W143 PolarHBondContact O-N 3.12Å; R139-S409 PolarHBondContact NH2-O 2.95Å
140	M	56.2	Low	52.9	Low	96 Å²	96	97.5 Å²	97.5	47%	0.473	46%	0.46	S	S	.	.	H	α-helix	trans	-65.8	-38.5	175.2	-71.8	-66.8	-88.6	0	0	112.6	I136 A137 W143 R144	I136-M140 HydrophobicContact CG2-CG 4.27Å; I136-M140 WeakPolarHBondContact O-CB 3.37Å; I136-M140 VanDerWaalsContact O-CG 3.28Å; I136-M140 WeakPolarHBondContact O-CG 3.41Å; I136-M140 PolarHBondContact O-N 3.43Å; A137-M140 PolarHBondContact O-N 2.8Å; M140-W143 PolarHBondContact O-N 3.47Å; M140-R144 PolarHBondContact O-N 3.06Å
141	E	65.5	Low	52.8	Low	95 Å²	95	97 Å²	97	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-69.6	-45.3	177.6	-178.1	54	-148.7	0	0	112.1	A137 W143 R144 Q145	A137-E141 PolarHBondContact O-N 3.45Å; E141-W143 PolarHBondContact O-N 3.34Å; E141-R144 WeakPolarHBondContact O-CB 3.44Å; E141-R144 PolarHBondContact O-N 3.4Å; E141-R144 VanDerWaalsContact O-N 3.07Å; E141-Q145 WeakPolarHBondContact O-CG 3.35Å; E141-Q145 PolarHBondContact O-N 2.82Å; E141-Q145 PolarHBondContact OE1-NE2 3.34Å
142	K	62.8	Low	52.6	Low	161 Å²	161	96.5 Å²	96.5	70%	0.7	47%	0.465	S	S	*	.	H	α-helix	trans	-56.5	-38.8	171.9	-77	179.8	-179.2	175.3	0	111.5	G138 M146	G138-K142 WeakPolarHBondContact O-CG 3.26Å; G138-K142 PolarHBondContact O-N 2.89Å; K142-M146 PolarHBondContact O-N 3.45Å
143	W	48	Very low	52.2	Low	48 Å²	48	98.6 Å²	98.6	18%	0.182	48%	0.481	C	S	.	.	H	α-helix	trans	-68.8	-40.2	175.5	177.3	92.1	0	0	0	112.4	R139 M140 E141 Q145 M146 D147 S415 K419	R139-W143 WeakPolarHBondContact O-CB 3.35Å; R139-W143 PolarHBondContact O-N 3.12Å; M140-W143 PolarHBondContact O-N 3.47Å; E141-W143 PolarHBondContact O-N 3.34Å; W143-Q145 VanDerWaalsContact C-N 3.29Å; W143-Q145 PolarHBondContact O-N 3.14Å; W143-M146 CarbonylContact O-C 3.46Å; W143-M146 WeakPolarHBondContact O-CA 3.03Å; W143-M146 PolarHBondContact O-N 3.25Å; W143-D147 WeakPolarHBondContact O-CB 3.21Å; W143-D147 PolarHBondContact O-N 3.36Å; W143-S415 VanDerWaalsContact CE2-CB 3.41Å; W143-S415 WeakPolarHBondContact CH2-O 3.45Å; W143-S415 VanDerWaalsContact CZ2-CB 3.49Å; W143-S415 WeakPolarHBondContact CZ2-O 3.31Å; W143-S415 PolarHBondContact NE1-OG 3.37Å; W143-K419 HydrophobicContact CH2-CD 4.2Å; W143-K419 HydrophobicContact CH2-CG 4.34Å; W143-K419 HydrophobicContact CZ2-CD 4.34Å
144	R	61.1	Low	51.2	Low	157 Å²	157	98.6 Å²	98.6	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-59.4	-40.1	176.8	-159.3	-175.5	-160	111.6	3.5	111.9	M140 E141 M146 D147 Q148	M140-R144 PolarHBondContact O-N 3.06Å; E141-R144 WeakPolarHBondContact O-CB 3.44Å; E141-R144 PolarHBondContact O-N 3.4Å; E141-R144 VanDerWaalsContact O-N 3.07Å; R144-M146 VanDerWaalsContact C-N 3.34Å; R144-D147 PolarHBondContact O-N 2.81Å; R144-Q148 PolarHBondContact O-N 2.88Å; R144-Q148 VanDerWaalsContact O-N 3.09Å
145	Q	64.9	Low	50	Low	112 Å²	112	100.8 Å²	100.8	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-65.9	-36.3	174.5	-66.8	174.7	21.7	0	0	112.3	E141 W143 K149	E141-Q145 WeakPolarHBondContact O-CG 3.35Å; E141-Q145 PolarHBondContact O-N 2.82Å; E141-Q145 PolarHBondContact OE1-NE2 3.34Å; W143-Q145 VanDerWaalsContact C-N 3.29Å; W143-Q145 PolarHBondContact O-N 3.14Å; Q145-K149 PolarHBondContact O-N 2.81Å
146	M	48.6	Very low	49	Very low	73 Å²	73	99.3 Å²	99.3	36%	0.36	51%	0.513	S	S	.	.	H	α-helix	trans	-74.3	-38.3	177.3	-162.4	163.4	73.7	0	0	111.8	K142 W143 R144 K149 F150	K142-M146 PolarHBondContact O-N 3.45Å; W143-M146 CarbonylContact O-C 3.46Å; W143-M146 WeakPolarHBondContact O-CA 3.03Å; W143-M146 PolarHBondContact O-N 3.25Å; R144-M146 VanDerWaalsContact C-N 3.34Å; M146-K149 CarbonylContact O-C 3.51Å; M146-K149 WeakPolarHBondContact O-CA 3.04Å; M146-K149 VanDerWaalsContact O-CB 3.29Å; M146-K149 WeakPolarHBondContact O-CB 3.41Å; M146-K149 PolarHBondContact O-N 3.23Å; M146-K149 VanDerWaalsContact O-N 3.11Å; M146-F150 HydrophobicContact CG-CD2 3.77Å; M146-F150 HydrophobicContact CG-CE2 3.64Å; M146-F150 VanDerWaalsContact O-CD2 3.28Å; M146-F150 WeakPolarHBondContact O-CD2 3.46Å; M146-F150 PolarHBondContact O-N 3.18Å; M146-F150 HydrophobicContact SD-CE2 4.22Å
147	D	46.7	Very low	48.3	Very low	35 Å²	35	104.4 Å²	104.4	19%	0.187	54%	0.541	C	S	.	.	H	α-helix	trans	-62.9	-41.8	175.8	-170.7	53.7	0	0	0	111.9	W143 R144 K149 F150 Q151 K419	W143-D147 WeakPolarHBondContact O-CB 3.21Å; W143-D147 PolarHBondContact O-N 3.36Å; R144-D147 PolarHBondContact O-N 2.81Å; D147-K149 VanDerWaalsContact C-N 3.28Å; D147-K149 PolarHBondContact O-N 2.96Å; D147-F150 PolarHBondContact O-N 3.23Å; D147-F150 VanDerWaalsContact O-N 3.1Å; D147-Q151 WeakPolarHBondContact O-CG 3.3Å; D147-Q151 PolarHBondContact O-N 2.78Å; D147-Q151 PolarHBondContact OD2-NE2 3.19Å; D147-K419 IonicContact OD1-NZ 2.6Å; D147-K419 PolarHBondContact OD1-NZ 3.42Å; D147-K419 IonicContact OD2-NZ 2.79Å; D147-K419 PolarHBondContact OD2-NZ 3.03Å
148	Q	53.5	Low	46.9	Very low	131 Å²	131	104.9 Å²	104.9	61%	0.612	55%	0.551	S	S	*	*	H	α-helix	trans	-60.8	-36.4	171.6	-76.1	-179.3	-3.1	0	0	112.4	R144	R144-Q148 PolarHBondContact O-N 2.88Å; R144-Q148 VanDerWaalsContact O-N 3.09Å
149	K	51.2	Low	45.6	Very low	155 Å²	155	112.1 Å²	112.1	67%	0.674	57%	0.572	S	S	*	*	H	α-helix	trans	-66.5	-38.9	172.2	-99.9	178.5	176.9	176.3	0	112.2	Q145 M146 D147 S152	Q145-K149 PolarHBondContact O-N 2.81Å; M146-K149 CarbonylContact O-C 3.51Å; M146-K149 WeakPolarHBondContact O-CA 3.04Å; M146-K149 VanDerWaalsContact O-CB 3.29Å; M146-K149 WeakPolarHBondContact O-CB 3.41Å; M146-K149 PolarHBondContact O-N 3.23Å; M146-K149 VanDerWaalsContact O-N 3.11Å; D147-K149 VanDerWaalsContact C-N 3.28Å; D147-K149 PolarHBondContact O-N 2.96Å; K149-S152 PolarHBondContact O-N 2.93Å; K149-S152 PolarHBondContact O-OG 2.86Å
150	F	38	Very low	44.7	Very low	115 Å²	115	112.3 Å²	112.3	50%	0.504	58%	0.576	S	S	.	*	H	α-helix	trans	-82	-30.2	-177.3	-83.9	-71.4	0	0	0	114.3	M146 D147 S152 L153 A154	M146-F150 HydrophobicContact CG-CD2 3.77Å; M146-F150 HydrophobicContact CG-CE2 3.64Å; M146-F150 VanDerWaalsContact O-CD2 3.28Å; M146-F150 WeakPolarHBondContact O-CD2 3.46Å; M146-F150 PolarHBondContact O-N 3.18Å; M146-F150 HydrophobicContact SD-CE2 4.22Å; D147-F150 PolarHBondContact O-N 3.23Å; D147-F150 VanDerWaalsContact O-N 3.1Å; F150-S152 PolarHBondContact O-N 2.82Å; F150-L153 HydrophobicContact CD1-CD1 4.42Å; F150-L153 CarbonylContact O-C 3.35Å; F150-L153 WeakPolarHBondContact O-CA 3.24Å; F150-L153 PolarHBondContact O-N 2.88Å; F150-A154 PolarHBondContact O-N 2.96Å
151	Q	40	Very low	43.3	Very low	130 Å²	130	114.4 Å²	114.4	61%	0.607	59%	0.585	S	S	*	*	H	α-helix	trans	-61.1	-23.5	169.2	-74.5	179.6	18.9	0	0	111.9	D147 L153	D147-Q151 WeakPolarHBondContact O-CG 3.3Å; D147-Q151 PolarHBondContact O-N 2.78Å; D147-Q151 PolarHBondContact OD2-NE2 3.19Å; Q151-L153 VanDerWaalsContact C-N 3.33Å
152	S	41.4	Very low	41.5	Very low	97 Å²	97	114.4 Å²	114.4	68%	0.678	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-8.2	170.8	79.6	0	0	0	0	114.7	K149 F150	K149-S152 PolarHBondContact O-N 2.93Å; K149-S152 PolarHBondContact O-OG 2.86Å; F150-S152 PolarHBondContact O-N 2.82Å
153	L	36.1	Very low	40	Very low	131 Å²	131	111.8 Å²	111.8	69%	0.686	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.7	-13.4	-172.7	-74	164.6	0	0	0	114.6	F150 Q151	F150-L153 HydrophobicContact CD1-CD1 4.42Å; F150-L153 CarbonylContact O-C 3.35Å; F150-L153 WeakPolarHBondContact O-CA 3.24Å; F150-L153 PolarHBondContact O-N 2.88Å; Q151-L153 VanDerWaalsContact C-N 3.33Å
154	A	31.4	Very low	39	Very low	64 Å²	64	116.8 Å²	116.8	53%	0.529	61%	0.614	S	S	.	*	S	Bend	trans	-91.3	140.9	179.8	0	0	0	0	0	111.5	F150	F150-A154 PolarHBondContact O-N 2.96Å
155	P	31.2	Very low	37.4	Very low	114 Å²	114	117.6 Å²	117.6	74%	0.74	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-59.2	144.4	172	-15	27.7	0	0	0	110.5	D157	P155-D157 PolarHBondContact O-N 2.58Å
156	P	29.8	Very low	35.7	Very low	109 Å²	109	118 Å²	118	71%	0.708	63%	0.632	S	S	*	*	S	Bend	trans	-64.1	133.4	168.1	30.1	-30.9	0	0	0	107.5
157	D	32	Very low	34.7	Very low	161 Å²	161	120.6 Å²	120.6	86%	0.861	66%	0.657	S	S	*	*	S	Bend	trans	89.1	113	168.2	-43.6	-29.7	0	0	0	117.7	P155	P155-D157 PolarHBondContact O-N 2.58Å
158	G	30.9	Very low	33.8	Very low	67 Å²	67	122.1 Å²	122.1	69%	0.691	68%	0.681	S	S	*	*				114.8	3.2	128.7	0	0	0	0	0	121.5	F160	G158-F160 PolarHBondContact O-N 3.31Å
159	F	35.9	Very low	32.5	Very low	189 Å²	189	124.1 Å²	124.1	83%	0.829	70%	0.696	S	S	*	*	S	Bend	trans	-84.5	-7	-169.5	-146	-99.1	0	0	0	116.5
160	F	33.9	Very low	31.5	Very low	119 Å²	119	125.1 Å²	125.1	52%	0.522	70%	0.704	S	S	.	*	S	Bend	trans	-138.4	8.9	-176.5	-92.5	-86.6	0	0	0	115.8	G158 T162 Y416	G158-F160 PolarHBondContact O-N 3.31Å; F160-T162 PolarHBondContact O-N 2.97Å; F160-Y416 HydrophobicContact CE2-CE1 4.19Å; F160-Y416 WeakPolarHBondContact CE2-OH 3.35Å; F160-Y416 HydrophobicContact CZ-CE1 4.21Å
161	E	27.4	Very low	31	Very low	139 Å²	139	128.1 Å²	128.1	65%	0.65	72%	0.719	S	S	*	*			trans	-100	79	177.4	-84	-168.7	132.5	0	0	111.9	K165	E161-K165 IonicContact OE1-NZ 2.76Å; E161-K165 PolarHBondContact OE1-NZ 3.1Å
162	T	26.9	Very low	30.4	Very low	95 Å²	95	130.7 Å²	130.7	58%	0.583	73%	0.729	S	S	*	*			trans	-157.9	72.6	147.6	49.9	0	0	0	0	109.9	F160 Y277	F160-T162 PolarHBondContact O-N 2.97Å; T162-Y277 PolarHBondContact OG1-OH 3.02Å
163	V	30.4	Very low	29.7	Very low	107 Å²	107	131.7 Å²	131.7	65%	0.648	73%	0.731	S	S	*	*	S	Bend	trans	-133.4	99.2	150.1	179.9	0	0	0	0	105.2	K165	V163-K165 PolarHBondContact O-N 3.34Å
164	E	28.3	Very low	29.2	Very low	153 Å²	153	129.1 Å²	129.1	72%	0.715	74%	0.736	S	S	*	*			trans	19.9	94.8	167.2	-66.4	178	147.4	0	0	116.7	T166	E164-T166 PolarHBondContact O-N 3.23Å
165	K	27.6	Very low	28.8	Very low	173 Å²	173	129.2 Å²	129.2	75%	0.752	74%	0.743	S	S	*	*			trans	-62.7	85.4	147.8	-80.9	175.7	-178.5	158	0	107.1	E161 V163 S167	E161-K165 IonicContact OE1-NZ 2.76Å; E161-K165 PolarHBondContact OE1-NZ 3.1Å; V163-K165 PolarHBondContact O-N 3.34Å; K165-S167 PolarHBondContact O-N 3.34Å
166	T	28.7	Very low	28.7	Very low	121 Å²	121	132.1 Å²	132.1	74%	0.742	75%	0.751	S	S	*	*			trans	-68.6	109.2	159.1	26.3	0	0	0	0	106.4	E164 G168	E164-T166 PolarHBondContact O-N 3.23Å; T166-G168 PolarHBondContact O-N 2.92Å
167	S	27.9	Very low	28.8	Very low	127 Å²	127	132.1 Å²	132.1	89%	0.888	75%	0.749	S	S	*	*	S	Bend	trans	-44	110.4	175.8	-36.9	0	0	0	0	110.6	K165	K165-S167 PolarHBondContact O-N 3.34Å
168	G	27.8	Very low	28.7	Very low	67 Å²	67	132.3 Å²	132.3	69%	0.691	75%	0.745	S	S	*	*			trans	170.9	55.7	-176.4	0	0	0	0	0	112.6	T166 Q170	T166-G168 PolarHBondContact O-N 2.92Å; G168-Q170 PolarHBondContact O-N 3.41Å
169	D	26	Very low	28.7	Very low	173 Å²	173	133.5 Å²	133.5	93%	0.925	75%	0.749	S	S	*	*			trans	-59	99.5	162.6	-71.2	-37.7	0	0	0	108.8
170	Q	30.3	Very low	28.6	Very low	177 Å²	177	129 Å²	129	83%	0.827	75%	0.746	S	S	*	*			trans	-135.7	110.7	155	-77.1	-163.2	-11	0	0	109.2	G168 F172	G168-Q170 PolarHBondContact O-N 3.41Å; Q170-F172 PolarHBondContact O-N 3.49Å; Q170-F172 VanDerWaalsContact O-N 3.12Å
171	E	27.3	Very low	28.8	Very low	178 Å²	178	125.3 Å²	125.3	83%	0.832	74%	0.735	S	S	*	*			trans	-43	111.2	163	-63.7	172.2	146.5	0	0	110.1	T173	E171-T173 PolarHBondContact O-N 3.32Å
172	F	27.2	Very low	29.6	Very low	184 Å²	184	122.4 Å²	122.4	81%	0.807	73%	0.73	S	S	*	*			trans	-76.8	76.5	171.8	-121.1	-92.4	0	0	0	109	Q170	Q170-F172 PolarHBondContact O-N 3.49Å; Q170-F172 VanDerWaalsContact O-N 3.12Å
173	T	26.6	Very low	30.6	Very low	118 Å²	118	119.7 Å²	119.7	72%	0.724	72%	0.721	S	S	*	*			trans	-78.9	147.2	153.5	50.4	0	0	0	0	108.4	E171	E171-T173 PolarHBondContact O-N 3.32Å
174	G	25.1	Very low	31.6	Very low	77 Å²	77	117.8 Å²	117.8	79%	0.794	72%	0.716	S	S	*	*	S	Bend	trans	-63.6	161.2	-157.4	0	0	0	0	0	117.7
175	G	24.5	Very low	33	Very low	65 Å²	65	111.7 Å²	111.7	67%	0.67	69%	0.688	S	S	*	*			trans	102.1	129.5	157.8	0	0	0	0	0	114.9
176	L	27.6	Very low	34.9	Very low	176 Å²	176	106.6 Å²	106.6	92%	0.921	68%	0.675	S	S	*	*	S	Bend	trans	87.4	53.1	154.2	-48.6	169.1	0	0	0	118.7
177	T	31.8	Very low	37.3	Very low	108 Å²	108	106.4 Å²	106.4	66%	0.663	67%	0.669	S	S	*	*			trans	-149.2	15.8	159.5	41.4	0	0	0	0	116.1	A179	T177-A179 PolarHBondContact O-N 3.1Å
178	E	31.1	Very low	39.9	Very low	165 Å²	165	101.6 Å²	101.6	77%	0.771	63%	0.633	S	S	*	*			trans	-78.3	-21	-173.8	-75.4	-173.5	147.4	0	0	115.7	A180 S181 S182	E178-A180 PolarHBondContact O-N 2.84Å; E178-S181 PolarHBondContact O-N 3.43Å; E178-S181 PolarHBondContact O-OG 3.1Å; E178-S182 PolarHBondContact O-N 3.39Å
179	A	31	Very low	42.6	Very low	93 Å²	93	101.1 Å²	101.1	77%	0.769	61%	0.612	S	S	*	*	H	α-helix	trans	-65	-38.7	-167.6	0	0	0	0	0	114.7	T177	T177-A179 PolarHBondContact O-N 3.1Å
180	A	32.7	Very low	45.4	Very low	94 Å²	94	96.2 Å²	96.2	78%	0.777	58%	0.584	S	S	*	*	H	α-helix	trans	-78	-27.2	-179.1	0	0	0	0	0	113	E178	E178-A180 PolarHBondContact O-N 2.84Å
181	S	38.7	Very low	48.1	Very low	41 Å²	41	89.2 Å²	89.2	29%	0.287	56%	0.557	S	S	.	*	H	α-helix	trans	-82.4	-17.4	179.1	76.9	0	0	0	0	113.5	E178 M185	E178-S181 PolarHBondContact O-N 3.43Å; E178-S181 PolarHBondContact O-OG 3.1Å; S181-M185 WeakPolarHBondContact O-CB 3.04Å; S181-M185 PolarHBondContact O-N 3.44Å
182	S	45.2	Very low	51.1	Low	79 Å²	79	80.7 Å²	80.7	55%	0.552	52%	0.517	S	S	*	.	H	α-helix	trans	-66	-41.5	175.3	-178	0	0	0	0	112.5	E178 M185 S186	E178-S182 PolarHBondContact O-N 3.39Å; S182-M185 PolarHBondContact O-N 2.85Å; S182-S186 PolarHBondContact O-N 3.28Å
183	G	47.8	Very low	54.1	Low	38 Å²	38	72.1 Å²	72.1	39%	0.392	48%	0.48	S	S	.	.	H	α-helix	trans	-64	-53	-178.9	0	0	0	0	0	113.6	M185 S186 D187	G183-M185 PolarHBondContact O-N 3.01Å; G183-S186 WeakPolarHBondContact O-CA 3.09Å; G183-S186 VanDerWaalsContact O-CB 3.25Å; G183-S186 WeakPolarHBondContact O-CB 3.44Å; G183-S186 PolarHBondContact O-N 3.47Å; G183-D187 PolarHBondContact O-N 3.25Å
184	A	50.8	Low	57.1	Low	66 Å²	66	70.4 Å²	70.4	55%	0.545	47%	0.466	S	S	.	.	H	α-helix	trans	-62.6	-31.1	178.9	0	0	0	0	0	112.9	D187 L188	A184-D187 PolarHBondContact O-N 2.84Å; A184-L188 PolarHBondContact O-N 3.48Å; A184-L188 VanDerWaalsContact O-N 3.11Å
185	M	56.8	Low	60.2	Low	26 Å²	26	69 Å²	69	13%	0.128	44%	0.439	C	S	.	.	H	α-helix	trans	-71.6	-34.6	174.6	-166.6	65.7	-160.9	0	0	111.8	S181 S182 G183 K189 K449 V452	S181-M185 WeakPolarHBondContact O-CB 3.04Å; S181-M185 PolarHBondContact O-N 3.44Å; S182-M185 PolarHBondContact O-N 2.85Å; G183-M185 PolarHBondContact O-N 3.01Å; M185-K189 HydrophobicContact CE-CG 4.3Å; M185-K189 WeakPolarHBondContact O-CB 3.47Å; M185-K189 VanDerWaalsContact O-CG 3.26Å; M185-K189 WeakPolarHBondContact O-CG 3.44Å; M185-K189 PolarHBondContact O-N 3.33Å; M185-K449 HydrophobicContact CE-CB 4.32Å; M185-K449 HydrophobicContact CG-CG 4.37Å; M185-K449 HydrophobicContact SD-CB 4.06Å; M185-K449 HydrophobicContact SD-CG 3.82Å; M185-V452 HydrophobicContact CE-CB 3.37Å; M185-V452 HydrophobicContact CE-CG1 3.82Å; M185-V452 HydrophobicContact CE-CG2 3.19Å
186	S	68.5	Low	63.4	Low	66 Å²	66	65.9 Å²	65.9	46%	0.462	41%	0.407	S	S	.	.	H	α-helix	trans	-62.6	-42.7	171.3	-169.4	0	0	0	0	111.2	S182 G183 K189 M190	S182-S186 PolarHBondContact O-N 3.28Å; G183-S186 WeakPolarHBondContact O-CA 3.09Å; G183-S186 VanDerWaalsContact O-CB 3.25Å; G183-S186 WeakPolarHBondContact O-CB 3.44Å; G183-S186 PolarHBondContact O-N 3.47Å; S186-K189 PolarHBondContact O-N 3.06Å; S186-M190 WeakPolarHBondContact O-CB 3.49Å; S186-M190 VanDerWaalsContact O-CG 3.29Å; S186-M190 WeakPolarHBondContact O-CG 3.08Å; S186-M190 PolarHBondContact O-N 3.41Å
187	D	78	Confident	66.3	Low	116 Å²	116	58.2 Å²	58.2	62%	0.62	37%	0.368	S	S	*	.	H	α-helix	trans	-63.1	-45	178.3	-64.1	-24.7	0	0	0	111.8	G183 A184 M190 A191	G183-D187 PolarHBondContact O-N 3.25Å; A184-D187 PolarHBondContact O-N 2.84Å; D187-M190 PolarHBondContact O-N 2.82Å; D187-A191 WeakPolarHBondContact O-CB 3.2Å; D187-A191 PolarHBondContact O-N 2.98Å
188	L	82.4	Confident	69	Low	26 Å²	26	55.8 Å²	55.8	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-67	-41.6	178.2	-164.8	80.3	0	0	0	112	A184 M190 A191 F192 Q453	A184-L188 PolarHBondContact O-N 3.48Å; A184-L188 VanDerWaalsContact O-N 3.11Å; L188-M190 VanDerWaalsContact C-N 3.3Å; L188-M190 PolarHBondContact O-N 2.88Å; L188-A191 PolarHBondContact O-N 3.42Å; L188-F192 HydrophobicContact CD1-CE2 4.46Å; L188-F192 HydrophobicContact CD2-CD2 4.41Å; L188-F192 HydrophobicContact CD2-CE2 3.65Å; L188-F192 HydrophobicContact CD2-CZ 4.29Å; L188-F192 HydrophobicContact CG-CD2 4.05Å; L188-F192 HydrophobicContact CG-CE2 3.68Å; L188-F192 HydrophobicContact CG-CZ 4.33Å; L188-F192 VanDerWaalsContact O-CD2 3.25Å; L188-F192 WeakPolarHBondContact O-CD2 3.33Å; L188-F192 PolarHBondContact O-N 2.97Å; L188-Q453 VanDerWaalsContact CD2-NE2 3.26Å
189	K	85.3	Confident	71.7	Confident	57 Å²	57	48.2 Å²	48.2	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-57.4	-44.2	173.7	-80.2	179.7	173.5	-167.8	0	111.2	M185 S186 F192 A193 V452 D501	M185-K189 HydrophobicContact CE-CG 4.3Å; M185-K189 WeakPolarHBondContact O-CB 3.47Å; M185-K189 VanDerWaalsContact O-CG 3.26Å; M185-K189 WeakPolarHBondContact O-CG 3.44Å; M185-K189 PolarHBondContact O-N 3.33Å; S186-K189 PolarHBondContact O-N 3.06Å; K189-F192 PolarHBondContact O-N 3.38Å; K189-A193 WeakPolarHBondContact O-CB 3.46Å; K189-A193 PolarHBondContact O-N 3Å; K189-V452 HydrophobicContact CD-CG2 4.32Å; K189-V452 HydrophobicContact CG-CG1 4.04Å; K189-V452 HydrophobicContact CG-CG2 4.04Å; K189-D501 IonicContact NZ-OD2 3.72Å
190	M	85.1	Confident	74.4	Confident	71 Å²	71	43.8 Å²	43.8	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-66.9	-41.5	177.8	-74.1	-63	-66.3	0	0	112.2	S186 D187 L188 A193 N194	S186-M190 WeakPolarHBondContact O-CB 3.49Å; S186-M190 VanDerWaalsContact O-CG 3.29Å; S186-M190 WeakPolarHBondContact O-CG 3.08Å; S186-M190 PolarHBondContact O-N 3.41Å; D187-M190 PolarHBondContact O-N 2.82Å; L188-M190 VanDerWaalsContact C-N 3.3Å; L188-M190 PolarHBondContact O-N 2.88Å; M190-A193 PolarHBondContact O-N 2.88Å; M190-N194 VanDerWaalsContact O-CG 3.24Å; M190-N194 PolarHBondContact O-N 3.36Å; M190-N194 PolarHBondContact O-ND2 2.95Å
191	A	87.2	Confident	77	Confident	29 Å²	29	41.9 Å²	41.9	24%	0.24	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-47.3	175.5	0	0	0	0	0	111.4	D187 L188 A193 N194 E195 L219	D187-A191 WeakPolarHBondContact O-CB 3.2Å; D187-A191 PolarHBondContact O-N 2.98Å; L188-A191 PolarHBondContact O-N 3.42Å; A191-A193 PolarHBondContact O-N 3.18Å; A191-N194 PolarHBondContact O-N 2.86Å; A191-E195 PolarHBondContact O-N 2.75Å; A191-E195 VanDerWaalsContact O-N 3.15Å; A191-L219 HydrophobicContact CB-CD1 4.49Å; A191-L219 HydrophobicContact CB-CD2 4.31Å
192	F	90.2	Very high	79.2	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.9	-43.9	175	-74.7	-48.2	0	0	0	112.8	L188 K189 N194 E195 I196 M216 L219 T220 W232 V452 H456	L188-F192 HydrophobicContact CD1-CE2 4.46Å; L188-F192 HydrophobicContact CD2-CD2 4.41Å; L188-F192 HydrophobicContact CD2-CE2 3.65Å; L188-F192 HydrophobicContact CD2-CZ 4.29Å; L188-F192 HydrophobicContact CG-CD2 4.05Å; L188-F192 HydrophobicContact CG-CE2 3.68Å; L188-F192 HydrophobicContact CG-CZ 4.33Å; L188-F192 VanDerWaalsContact O-CD2 3.25Å; L188-F192 WeakPolarHBondContact O-CD2 3.33Å; L188-F192 PolarHBondContact O-N 2.97Å; K189-F192 PolarHBondContact O-N 3.38Å; F192-N194 VanDerWaalsContact C-N 3.31Å; F192-N194 PolarHBondContact O-N 3.1Å; F192-E195 PolarHBondContact O-N 3.34Å; F192-I196 WeakPolarHBondContact O-CG1 3.29Å; F192-I196 PolarHBondContact O-N 3.37Å; F192-M216 HydrophobicContact CD1-CE 4.42Å; F192-M216 HydrophobicContact CD1-SD 3.31Å; F192-M216 WeakPolarHBondContact CD1-SD 3.39Å; F192-M216 HydrophobicContact CE1-SD 3.66Å; F192-M216 HydrophobicContact CG-SD 4.45Å; F192-L219 HydrophobicContact CD1-CD1 4.24Å; F192-T220 HydrophobicContact CE1-CG2 3.87Å; F192-T220 HydrophobicContact CZ-CG2 3.6Å; F192-W232 HydrophobicContact CE1-CZ2 4.14Å; F192-W232 HydrophobicContact CZ-CZ2 4.17Å; F192-V452 HydrophobicContact CD2-CG1 4Å; F192-V452 HydrophobicContact CE2-CG1 4.19Å; F192-H456 VanDerWaalsContact CB-NE2 3.29Å; F192-H456 WeakPolarHBondContact CB-NE2 3.31Å; F192-H456 AromaticContact CD2-CE1 3.73Å; F192-H456 AromaticContact CD2-ND1 3.69Å; F192-H456 AromaticContact CG-CD2 3.83Å; F192-H456 AromaticContact CG-CE1 3.85Å; F192-H456 AromaticContact CG-CG 3.92Å; F192-H456 AromaticContact CG-ND1 3.93Å; F192-H456 AromaticContact CG-NE2 3.81Å
193	A	89.7	Confident	81	Confident	3 Å²	3	43 Å²	43	3%	0.025	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-40.5	178	0	0	0	0	0	112.4	K189 M190 A191 E195 I196 S197 Q509 Y513	K189-A193 WeakPolarHBondContact O-CB 3.46Å; K189-A193 PolarHBondContact O-N 3Å; M190-A193 PolarHBondContact O-N 2.88Å; A191-A193 PolarHBondContact O-N 3.18Å; A193-E195 VanDerWaalsContact C-N 3.33Å; A193-E195 PolarHBondContact O-N 3.47Å; A193-I196 PolarHBondContact O-N 3.22Å; A193-S197 PolarHBondContact O-N 2.68Å; A193-S197 PolarHBondContact O-OG 3.08Å; A193-Q509 HydrophobicContact CB-CB 4.41Å; A193-Q509 HydrophobicContact CB-CG 4.15Å; A193-Y513 WeakPolarHBondContact CA-OH 3.32Å; A193-Y513 HydrophobicContact CB-CE2 4.18Å
194	N	90.1	Very high	82.6	Confident	83 Å²	83	43.2 Å²	43.2	44%	0.444	24%	0.242	S	C	.	.	H	α-helix	trans	-64.3	-38.3	176.5	-68.3	-23.1	0	0	0	112.4	M190 A191 F192 S197 S198	M190-N194 VanDerWaalsContact O-CG 3.24Å; M190-N194 PolarHBondContact O-N 3.36Å; M190-N194 PolarHBondContact O-ND2 2.95Å; A191-N194 PolarHBondContact O-N 2.86Å; F192-N194 VanDerWaalsContact C-N 3.31Å; F192-N194 PolarHBondContact O-N 3.1Å; N194-S197 PolarHBondContact O-N 2.87Å; N194-S198 WeakPolarHBondContact O-CB 3.15Å; N194-S198 PolarHBondContact O-N 3.19Å; N194-S198 PolarHBondContact O-OG 2.84Å
195	E	90.4	Very high	84.1	Confident	46 Å²	46	47.1 Å²	47.1	22%	0.215	25%	0.253	C	S	.	.	H	α-helix	trans	-68	-41.2	177.5	-147.1	62.2	-142.9	0	0	111.6	A191 F192 A193 S198 Y199 A215 M216 L219	A191-E195 PolarHBondContact O-N 2.75Å; A191-E195 VanDerWaalsContact O-N 3.15Å; F192-E195 PolarHBondContact O-N 3.34Å; A193-E195 VanDerWaalsContact C-N 3.33Å; A193-E195 PolarHBondContact O-N 3.47Å; E195-S198 PolarHBondContact O-N 3.05Å; E195-Y199 WeakPolarHBondContact O-CB 3.35Å; E195-Y199 PolarHBondContact O-N 3.49Å; E195-A215 HydrophobicContact CG-CB 3.69Å; E195-A215 WeakPolarHBondContact OE1-CB 3.5Å; E195-M216 HydrophobicContact CB-CE 3.81Å; E195-M216 HydrophobicContact CB-SD 4.45Å; E195-M216 HydrophobicContact CG-CE 4.13Å; E195-L219 HydrophobicContact CB-CD1 3.84Å; E195-L219 HydrophobicContact CG-CD1 3.91Å
196	I	91.3	Very high	84.7	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-45.5	172.9	-65.7	-62.4	0	0	0	110.8	F192 A193 S198 Y199 V200 L212 M216 I459 D512 Y513 L516	F192-I196 WeakPolarHBondContact O-CG1 3.29Å; F192-I196 PolarHBondContact O-N 3.37Å; A193-I196 PolarHBondContact O-N 3.22Å; I196-S198 VanDerWaalsContact C-N 3.31Å; I196-S198 PolarHBondContact O-N 2.82Å; I196-Y199 PolarHBondContact O-N 3.28Å; I196-V200 HydrophobicContact CG2-CG2 4.36Å; I196-V200 WeakPolarHBondContact O-CB 2.9Å; I196-V200 WeakPolarHBondContact O-CG2 3.35Å; I196-V200 PolarHBondContact O-N 3.28Å; I196-L212 HydrophobicContact CD1-CD1 4.29Å; I196-L212 HydrophobicContact CD1-CD2 4.4Å; I196-M216 HydrophobicContact CD1-CE 3.52Å; I196-M216 HydrophobicContact CG1-CE 3.87Å; I196-I459 HydrophobicContact CD1-CD1 4.24Å; I196-I459 HydrophobicContact CD1-CG2 4.07Å; I196-D512 HydrophobicContact CG2-CB 4.5Å; I196-Y513 HydrophobicContact CG1-CE1 3.95Å; I196-Y513 HydrophobicContact CG2-CD1 4.41Å; I196-Y513 HydrophobicContact CG2-CE1 4.32Å; I196-L516 HydrophobicContact CD1-CD1 4.48Å; I196-L516 HydrophobicContact CG2-CD1 4.12Å
197	S	88.8	Confident	84.4	Confident	15 Å²	15	47.5 Å²	47.5	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-43.2	175.1	-70.5	0	0	0	0	111.7	A193 N194 V200 D201 D512	A193-S197 PolarHBondContact O-N 2.68Å; A193-S197 PolarHBondContact O-OG 3.08Å; N194-S197 PolarHBondContact O-N 2.87Å; S197-V200 PolarHBondContact O-N 3.11Å; S197-D201 WeakPolarHBondContact O-CB 3.44Å; S197-D201 PolarHBondContact O-N 2.91Å; S197-D512 VanDerWaalsContact CB-OD2 3.28Å; S197-D512 WeakPolarHBondContact CB-OD2 3.37Å; S197-D512 PolarHBondContact OG-OD2 3.03Å
198	S	87.9	Confident	83.8	Confident	57 Å²	57	45.1 Å²	45.1	40%	0.399	28%	0.276	S	S	.	.	H	α-helix	trans	-65.5	-40.3	179.1	-58.1	0	0	0	0	111.9	N194 E195 I196 D201 F202	N194-S198 WeakPolarHBondContact O-CB 3.15Å; N194-S198 PolarHBondContact O-N 3.19Å; N194-S198 PolarHBondContact O-OG 2.84Å; E195-S198 PolarHBondContact O-N 3.05Å; I196-S198 VanDerWaalsContact C-N 3.31Å; I196-S198 PolarHBondContact O-N 2.82Å; S198-D201 PolarHBondContact O-N 3.32Å; S198-F202 WeakPolarHBondContact O-CB 3.35Å; S198-F202 PolarHBondContact O-N 3.13Å
199	Y	88.7	Confident	83.1	Confident	6 Å²	6	50.3 Å²	50.3	2%	0.024	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-42.6	173.7	165	-96.6	0	0	0	112.5	E195 I196 F202 K203 F210 L212 D463 L516	E195-Y199 WeakPolarHBondContact O-CB 3.35Å; E195-Y199 PolarHBondContact O-N 3.49Å; I196-Y199 PolarHBondContact O-N 3.28Å; Y199-F202 PolarHBondContact O-N 3.45Å; Y199-K203 HydrophobicContact CE1-CD 3.88Å; Y199-K203 HydrophobicContact CE2-CD 4.19Å; Y199-K203 PolarHBondContact O-N 2.66Å; Y199-K203 WeakPolarHBondContact OH-CE 3.42Å; Y199-K203 PolarHBondContact OH-NZ 3.25Å; Y199-F210 HydrophobicContact CD2-CB 4.04Å; Y199-F210 AromaticContact CD2-CD1 3.52Å; Y199-F210 HydrophobicContact CD2-CD1 3.52Å; Y199-F210 HydrophobicContact CD2-CE1 4.17Å; Y199-F210 AromaticContact CD2-CG 3.92Å; Y199-F210 HydrophobicContact CD2-CG 3.92Å; Y199-F210 HydrophobicContact CE2-CD1 4.44Å; Y199-F210 HydrophobicContact CG-CD1 4.3Å; Y199-L212 HydrophobicContact CD2-CB 4.2Å; Y199-L212 HydrophobicContact CD2-CD1 4.12Å; Y199-L212 HydrophobicContact CD2-CD2 4.45Å; Y199-L212 HydrophobicContact CD2-CG 4.5Å; Y199-L212 HydrophobicContact CE1-CD2 4.49Å; Y199-L212 HydrophobicContact CE2-CB 4.18Å; Y199-L212 HydrophobicContact CE2-CD2 4.26Å; Y199-L212 HydrophobicContact CG-CD1 4.05Å; Y199-D463 PolarHBondContact OH-OD1 3.38Å; Y199-L516 HydrophobicContact CD1-CD2 4.11Å; Y199-L516 HydrophobicContact CE1-CD2 3.59Å
200	V	87.1	Confident	82.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-45.7	175.6	168.3	0	0	0	0	110.6	I196 S197 F202 K203 L204 D512 Y515 L516 Y564	I196-V200 HydrophobicContact CG2-CG2 4.36Å; I196-V200 WeakPolarHBondContact O-CB 2.9Å; I196-V200 WeakPolarHBondContact O-CG2 3.35Å; I196-V200 PolarHBondContact O-N 3.28Å; S197-V200 PolarHBondContact O-N 3.11Å; V200-F202 VanDerWaalsContact C-N 3.29Å; V200-F202 PolarHBondContact O-N 3.42Å; V200-K203 PolarHBondContact O-N 2.94Å; V200-L204 HydrophobicContact CG1-CD1 3.68Å; V200-L204 HydrophobicContact CG1-CG 4.29Å; V200-L204 WeakPolarHBondContact O-CB 3.41Å; V200-L204 VanDerWaalsContact O-CG 3.26Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.11Å; V200-D512 HydrophobicContact CB-CB 4.46Å; V200-D512 HydrophobicContact CG2-CB 4.19Å; V200-Y515 HydrophobicContact CB-CD1 4.36Å; V200-Y515 HydrophobicContact CG1-CD1 3.53Å; V200-Y515 HydrophobicContact CG1-CE1 3.94Å; V200-Y515 HydrophobicContact CG1-CG 4.27Å; V200-Y515 HydrophobicContact CG2-CD1 4.01Å; V200-L516 HydrophobicContact CG2-CD2 4.07Å; V200-Y564 HydrophobicContact CG1-CE1 4.12Å
201	D	86.3	Confident	82.4	Confident	54 Å²	54	48.9 Å²	48.9	29%	0.289	29%	0.29	S	S	.	.	H	α-helix	trans	-57.7	-43.9	176.4	-70.6	-10.1	0	0	0	111	S197 S198 L204 L205 K563	S197-D201 WeakPolarHBondContact O-CB 3.44Å; S197-D201 PolarHBondContact O-N 2.91Å; S198-D201 PolarHBondContact O-N 3.32Å; D201-L204 PolarHBondContact O-N 3.27Å; D201-L205 VanDerWaalsContact O-CG 3.3Å; D201-L205 WeakPolarHBondContact O-CG 3.25Å; D201-L205 PolarHBondContact O-N 2.87Å; D201-K563 WeakPolarHBondContact OD1-CE 3.39Å; D201-K563 IonicContact OD1-NZ 3.4Å; D201-K563 PolarHBondContact OD1-NZ 2.81Å
202	F	84.9	Confident	82.4	Confident	70 Å²	70	47.6 Å²	47.6	31%	0.307	28%	0.278	S	S	.	.	H	α-helix	trans	-66.2	-41.5	177.6	-168.6	-98.4	0	0	0	112.8	S198 Y199 V200 L204 L205 G207 G208 F210	S198-F202 WeakPolarHBondContact O-CB 3.35Å; S198-F202 PolarHBondContact O-N 3.13Å; Y199-F202 PolarHBondContact O-N 3.45Å; V200-F202 VanDerWaalsContact C-N 3.29Å; V200-F202 PolarHBondContact O-N 3.42Å; F202-L204 VanDerWaalsContact C-N 3.3Å; F202-L204 PolarHBondContact O-N 2.68Å; F202-L205 PolarHBondContact O-N 3.3Å; F202-G207 VanDerWaalsContact CE1-C 3.45Å; F202-G207 PolarHBondContact O-N 2.88Å; F202-G208 WeakPolarHBondContact CE1-O 3.24Å; F202-G208 VanDerWaalsContact CZ-N 3.31Å; F202-F210 HydrophobicContact CB-CD2 4.06Å; F202-F210 HydrophobicContact CD1-CB 3.64Å; F202-F210 HydrophobicContact CD1-CD2 4.01Å; F202-F210 HydrophobicContact CD1-CG 4.3Å; F202-F210 HydrophobicContact CE1-CB 3.87Å; F202-F210 HydrophobicContact CE1-CD2 4.49Å; F202-F210 HydrophobicContact CG-CB 4.43Å; F202-F210 AromaticContact CG-CD2 3.97Å; F202-F210 HydrophobicContact CG-CD2 3.97Å
203	K	83.5	Confident	82.1	Confident	75 Å²	75	47.8 Å²	47.8	33%	0.326	28%	0.279	S	S	.	.	H	α-helix	trans	-62.2	-36.9	173.1	-84.3	-166.8	167.4	-176.3	0	112	Y199 V200 G206 D463	Y199-K203 HydrophobicContact CE1-CD 3.88Å; Y199-K203 HydrophobicContact CE2-CD 4.19Å; Y199-K203 PolarHBondContact O-N 2.66Å; Y199-K203 WeakPolarHBondContact OH-CE 3.42Å; Y199-K203 PolarHBondContact OH-NZ 3.25Å; V200-K203 PolarHBondContact O-N 2.94Å; K203-G206 PolarHBondContact O-N 3.39Å; K203-D463 IonicContact NZ-OD1 3.59Å; K203-D463 PolarHBondContact NZ-OD1 3.49Å
204	L	82.6	Confident	81.9	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.215	29%	0.294	C	S	.	.	H	α-helix	trans	-72.7	-35.7	179.3	-73.2	167	0	0	0	112.8	V200 D201 F202 G206 Y515 K563 Y564 N565	V200-L204 HydrophobicContact CG1-CD1 3.68Å; V200-L204 HydrophobicContact CG1-CG 4.29Å; V200-L204 WeakPolarHBondContact O-CB 3.41Å; V200-L204 VanDerWaalsContact O-CG 3.26Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 3.11Å; D201-L204 PolarHBondContact O-N 3.27Å; F202-L204 VanDerWaalsContact C-N 3.3Å; F202-L204 PolarHBondContact O-N 2.68Å; L204-G206 PolarHBondContact O-N 3.04Å; L204-G206 VanDerWaalsContact O-N 3.17Å; L204-Y515 HydrophobicContact CD2-CE1 4.13Å; L204-Y515 HydrophobicContact CD2-CE2 4.09Å; L204-Y515 VanDerWaalsContact CD2-OH 3.23Å; L204-Y515 WeakPolarHBondContact CD2-OH 3.45Å; L204-Y515 HydrophobicContact CG-CE1 4.22Å; L204-K563 HydrophobicContact CD1-CD 4.44Å; L204-K563 HydrophobicContact CD1-CG 4.04Å; L204-K563 WeakPolarHBondContact CD1-O 3.32Å; L204-Y564 HydrophobicContact CD1-CD1 4.13Å; L204-Y564 HydrophobicContact CD1-CE1 4.47Å; L204-N565 HydrophobicContact CD2-CB 4.36Å
205	L	81.2	Confident	81.7	Confident	149 Å²	149	46.3 Å²	46.3	78%	0.78	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-0.8	176.3	-70.7	170	0	0	0	113.6	D201 F202 G207	D201-L205 VanDerWaalsContact O-CG 3.3Å; D201-L205 WeakPolarHBondContact O-CG 3.25Å; D201-L205 PolarHBondContact O-N 2.87Å; F202-L205 PolarHBondContact O-N 3.3Å; L205-G207 PolarHBondContact O-N 3.48Å
206	G	69.7	Low	81.6	Confident	68 Å²	68	44.1 Å²	44.1	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	24.7	-172.8	0	0	0	0	0	112.5	K203 L204	K203-G206 PolarHBondContact O-N 3.39Å; L204-G206 PolarHBondContact O-N 3.04Å; L204-G206 VanDerWaalsContact O-N 3.17Å
207	G	61.8	Low	81.3	Confident	31 Å²	31	47.5 Å²	47.5	32%	0.32	28%	0.282	S	S	.	.			trans	-60.9	162.5	176.9	0	0	0	0	0	111.9	F202 L205	F202-G207 VanDerWaalsContact CE1-C 3.45Å; F202-G207 PolarHBondContact O-N 2.88Å; L205-G207 PolarHBondContact O-N 3.48Å
208	G	65.5	Low	81.1	Confident	66 Å²	66	53.5 Å²	53.5	68%	0.68	31%	0.308	S	S	*	.	S	Bend	trans	-66.2	-137.7	-177.6	0	0	0	0	0	114.9	F202 F210	F202-G208 WeakPolarHBondContact CE1-O 3.24Å; F202-G208 VanDerWaalsContact CZ-N 3.31Å; G208-F210 PolarHBondContact O-N 2.85Å
209	Y	67.2	Low	81	Confident	136 Å²	136	53 Å²	53	53%	0.533	30%	0.301	S	S	.	.			trans	-82	119	178.3	179.8	-103.1	0	0	0	110.8	N211	Y209-N211 HydrophobicContact CD1-CB 4.37Å; Y209-N211 HydrophobicContact CE1-CB 3.73Å
210	F	75.1	Confident	80.9	Confident	47 Å²	47	52.8 Å²	52.8	21%	0.206	30%	0.3	C	S	.	.			trans	-99.2	118.5	169.6	-168.3	-79.8	0	0	0	109.6	Y199 F202 G208 L212 A215	Y199-F210 HydrophobicContact CD2-CB 4.04Å; Y199-F210 AromaticContact CD2-CD1 3.52Å; Y199-F210 HydrophobicContact CD2-CD1 3.52Å; Y199-F210 HydrophobicContact CD2-CE1 4.17Å; Y199-F210 AromaticContact CD2-CG 3.92Å; Y199-F210 HydrophobicContact CD2-CG 3.92Å; Y199-F210 HydrophobicContact CE2-CD1 4.44Å; Y199-F210 HydrophobicContact CG-CD1 4.3Å; F202-F210 HydrophobicContact CB-CD2 4.06Å; F202-F210 HydrophobicContact CD1-CB 3.64Å; F202-F210 HydrophobicContact CD1-CD2 4.01Å; F202-F210 HydrophobicContact CD1-CG 4.3Å; F202-F210 HydrophobicContact CE1-CB 3.87Å; F202-F210 HydrophobicContact CE1-CD2 4.49Å; F202-F210 HydrophobicContact CG-CB 4.43Å; F202-F210 AromaticContact CG-CD2 3.97Å; F202-F210 HydrophobicContact CG-CD2 3.97Å; G208-F210 PolarHBondContact O-N 2.85Å; F210-L212 HydrophobicContact CD1-CB 4.26Å; F210-L212 HydrophobicContact CE1-CB 4.5Å; F210-L212 HydrophobicContact CE1-CD1 4.09Å; F210-L212 PolarHBondContact O-N 3.43Å; F210-L212 VanDerWaalsContact O-N 3.07Å; F210-A215 HydrophobicContact CE1-CB 4.16Å; F210-A215 HydrophobicContact CZ-CB 4.44Å
211	N	81.8	Confident	80.7	Confident	51 Å²	51	56 Å²	56	27%	0.273	33%	0.326	S	S	.	.			trans	-86	82.6	179.5	-170.9	-20.3	0	0	0	110.9	Y209 L213 S214 A215	Y209-N211 HydrophobicContact CD1-CB 4.37Å; Y209-N211 HydrophobicContact CE1-CB 3.73Å; N211-L213 PolarHBondContact O-N 3.02Å; N211-L213 PolarHBondContact OD1-N 3.18Å; N211-S214 VanDerWaalsContact CB-OG 3.28Å; N211-S214 WeakPolarHBondContact CB-OG 3.37Å; N211-S214 PolarHBondContact O-N 3.25Å; N211-S214 VanDerWaalsContact O-N 3.17Å; N211-S214 PolarHBondContact O-OG 3.09Å; N211-S214 PolarHBondContact OD1-N 3.34Å; N211-S214 PolarHBondContact OD1-OG 3.43Å; N211-A215 PolarHBondContact O-N 3.14Å
212	L	86	Confident	80.3	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-57.4	-39.1	-179.1	-172.9	63.1	0	0	0	112	I196 Y199 F210 S214 A215 M216 I459 V460	I196-L212 HydrophobicContact CD1-CD1 4.29Å; I196-L212 HydrophobicContact CD1-CD2 4.4Å; Y199-L212 HydrophobicContact CD2-CB 4.2Å; Y199-L212 HydrophobicContact CD2-CD1 4.12Å; Y199-L212 HydrophobicContact CD2-CD2 4.45Å; Y199-L212 HydrophobicContact CD2-CG 4.5Å; Y199-L212 HydrophobicContact CE1-CD2 4.49Å; Y199-L212 HydrophobicContact CE2-CB 4.18Å; Y199-L212 HydrophobicContact CE2-CD2 4.26Å; Y199-L212 HydrophobicContact CG-CD1 4.05Å; F210-L212 HydrophobicContact CD1-CB 4.26Å; F210-L212 HydrophobicContact CE1-CB 4.5Å; F210-L212 HydrophobicContact CE1-CD1 4.09Å; F210-L212 PolarHBondContact O-N 3.43Å; F210-L212 VanDerWaalsContact O-N 3.07Å; L212-S214 PolarHBondContact O-N 3.09Å; L212-A215 PolarHBondContact O-N 3.1Å; L212-M216 HydrophobicContact CD1-CE 3.56Å; L212-M216 HydrophobicContact CD1-CG 4.31Å; L212-M216 HydrophobicContact CG-CE 4.26Å; L212-M216 HydrophobicContact CG-CG 4.29Å; L212-M216 WeakPolarHBondContact O-CG 3.39Å; L212-M216 PolarHBondContact O-N 2.81Å; L212-I459 HydrophobicContact CD2-CG2 3.76Å; L212-V460 HydrophobicContact CD2-CG2 4.05Å; L212-V460 HydrophobicContact CG-CG2 4.02Å
213	L	85.3	Confident	80.1	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	34%	0.344	C	S	.	.	H	α-helix	trans	-58.1	-47.1	177.9	173.7	58.7	0	0	0	112	N211 A215 M216 Q217 W232 V235 L238 V460 L464	N211-L213 PolarHBondContact O-N 3.02Å; N211-L213 PolarHBondContact OD1-N 3.18Å; L213-A215 VanDerWaalsContact C-N 3.35Å; L213-A215 PolarHBondContact O-N 3.02Å; L213-M216 PolarHBondContact O-N 3.37Å; L213-Q217 WeakPolarHBondContact O-CB 3.38Å; L213-Q217 PolarHBondContact O-N 2.65Å; L213-W232 HydrophobicContact CD1-CZ3 4.32Å; L213-V235 HydrophobicContact CD1-CG1 3.65Å; L213-L238 HydrophobicContact CD2-CB 4.2Å; L213-V460 HydrophobicContact CB-CG1 3.81Å; L213-V460 HydrophobicContact CD1-CG1 3.86Å; L213-V460 HydrophobicContact CG-CG1 4.34Å; L213-L464 HydrophobicContact CD2-CD1 4.43Å
214	S	85	Confident	79.8	Confident	46 Å²	46	64.8 Å²	64.8	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-66	-37.8	-179.1	67.1	0	0	0	0	112.9	N211 L212 Q217 Q218	N211-S214 VanDerWaalsContact CB-OG 3.28Å; N211-S214 WeakPolarHBondContact CB-OG 3.37Å; N211-S214 PolarHBondContact O-N 3.25Å; N211-S214 VanDerWaalsContact O-N 3.17Å; N211-S214 PolarHBondContact O-OG 3.09Å; N211-S214 PolarHBondContact OD1-N 3.34Å; N211-S214 PolarHBondContact OD1-OG 3.43Å; L212-S214 PolarHBondContact O-N 3.09Å; S214-Q217 PolarHBondContact O-N 3.3Å; S214-Q218 WeakPolarHBondContact O-CG 3.48Å; S214-Q218 PolarHBondContact O-N 3.44Å; S214-Q218 VanDerWaalsContact O-N 3.09Å
215	A	85.8	Confident	79.8	Confident	10 Å²	10	65.5 Å²	65.5	8%	0.083	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-48.1	177.4	0	0	0	0	0	111.2	E195 F210 N211 L212 L213 Q217 Q218 L219	E195-A215 HydrophobicContact CG-CB 3.69Å; E195-A215 WeakPolarHBondContact OE1-CB 3.5Å; F210-A215 HydrophobicContact CE1-CB 4.16Å; F210-A215 HydrophobicContact CZ-CB 4.44Å; N211-A215 PolarHBondContact O-N 3.14Å; L212-A215 PolarHBondContact O-N 3.1Å; L213-A215 VanDerWaalsContact C-N 3.35Å; L213-A215 PolarHBondContact O-N 3.02Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; A215-Q217 PolarHBondContact O-N 2.94Å; A215-Q218 PolarHBondContact O-N 3Å; A215-L219 WeakPolarHBondContact O-CG 3.41Å; A215-L219 PolarHBondContact O-N 2.94Å; A215-L219 VanDerWaalsContact O-N 3.17Å
216	M	87.3	Confident	79.9	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-63.4	-35.9	177.7	-63.8	-67.4	170.9	0	0	112.5	F192 E195 I196 L212 L213 L219 T220 W232 V460	F192-M216 HydrophobicContact CD1-CE 4.42Å; F192-M216 HydrophobicContact CD1-SD 3.31Å; F192-M216 WeakPolarHBondContact CD1-SD 3.39Å; F192-M216 HydrophobicContact CE1-SD 3.66Å; F192-M216 HydrophobicContact CG-SD 4.45Å; E195-M216 HydrophobicContact CB-CE 3.81Å; E195-M216 HydrophobicContact CB-SD 4.45Å; E195-M216 HydrophobicContact CG-CE 4.13Å; I196-M216 HydrophobicContact CD1-CE 3.52Å; I196-M216 HydrophobicContact CG1-CE 3.87Å; L212-M216 HydrophobicContact CD1-CE 3.56Å; L212-M216 HydrophobicContact CD1-CG 4.31Å; L212-M216 HydrophobicContact CG-CE 4.26Å; L212-M216 HydrophobicContact CG-CG 4.29Å; L212-M216 WeakPolarHBondContact O-CG 3.39Å; L212-M216 PolarHBondContact O-N 2.81Å; L213-M216 PolarHBondContact O-N 3.37Å; M216-L219 PolarHBondContact O-N 3.35Å; M216-L219 HydrophobicContact SD-CD1 4.49Å; M216-T220 WeakPolarHBondContact O-CG2 3.14Å; M216-T220 PolarHBondContact O-N 3.24Å; M216-T220 VanDerWaalsContact O-N 3.14Å; M216-T220 PolarHBondContact O-OG1 2.9Å; M216-W232 HydrophobicContact CB-CE3 4.28Å; M216-W232 HydrophobicContact CB-CH2 3.45Å; M216-W232 VanDerWaalsContact CB-CH2 3.45Å; M216-W232 HydrophobicContact CB-CZ2 4.21Å; M216-W232 HydrophobicContact CB-CZ3 3.49Å; M216-W232 VanDerWaalsContact CB-CZ3 3.49Å; M216-W232 HydrophobicContact CG-CH2 4.08Å; M216-W232 HydrophobicContact CG-CZ3 4.44Å; M216-V460 HydrophobicContact CG-CG2 4.06Å
217	Q	85.1	Confident	80.6	Confident	70 Å²	70	64.8 Å²	64.8	33%	0.327	35%	0.352	S	S	.	.	H	α-helix	trans	-65.6	-41	175.7	-174.9	-180	-3.4	0	0	112.1	L213 S214 A215 T220 A221 S236	L213-Q217 WeakPolarHBondContact O-CB 3.38Å; L213-Q217 PolarHBondContact O-N 2.65Å; S214-Q217 PolarHBondContact O-N 3.3Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; A215-Q217 PolarHBondContact O-N 2.94Å; Q217-T220 WeakPolarHBondContact CA-OG1 3.07Å; Q217-T220 PolarHBondContact O-N 3.34Å; Q217-T220 PolarHBondContact O-OG1 2.72Å; Q217-T220 VanDerWaalsContact O-OG1 3.07Å; Q217-A221 WeakPolarHBondContact O-CB 3.5Å; Q217-A221 PolarHBondContact O-N 3.49Å; Q217-S236 VanDerWaalsContact CD-CB 3.47Å
218	Q	85.8	Confident	81.7	Confident	141 Å²	141	63.6 Å²	63.6	66%	0.659	34%	0.339	S	S	*	.	H	α-helix	trans	-65.8	-39.6	178.2	-74.3	-179.7	-8.7	0	0	112.1	S214 A215 T220	S214-Q218 WeakPolarHBondContact O-CG 3.48Å; S214-Q218 PolarHBondContact O-N 3.44Å; S214-Q218 VanDerWaalsContact O-N 3.09Å; A215-Q218 PolarHBondContact O-N 3Å; Q218-T220 VanDerWaalsContact C-N 3.3Å; Q218-T220 PolarHBondContact O-N 3Å
219	L	86	Confident	82.7	Confident	47 Å²	47	62.7 Å²	62.7	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-41.3	175.5	-68.6	177.5	0	0	0	111.9	A191 F192 E195 A215 M216	A191-L219 HydrophobicContact CB-CD1 4.49Å; A191-L219 HydrophobicContact CB-CD2 4.31Å; F192-L219 HydrophobicContact CD1-CD1 4.24Å; E195-L219 HydrophobicContact CB-CD1 3.84Å; E195-L219 HydrophobicContact CG-CD1 3.91Å; A215-L219 WeakPolarHBondContact O-CG 3.41Å; A215-L219 PolarHBondContact O-N 2.94Å; A215-L219 VanDerWaalsContact O-N 3.17Å; M216-L219 PolarHBondContact O-N 3.35Å; M216-L219 HydrophobicContact SD-CD1 4.49Å
220	T	85.2	Confident	83.6	Confident	2 Å²	2	61 Å²	61	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-81.7	-28.8	-174.7	52	0	0	0	0	112.8	F192 M216 Q217 Q218 N222 S223 V228 N229 W232	F192-T220 HydrophobicContact CE1-CG2 3.87Å; F192-T220 HydrophobicContact CZ-CG2 3.6Å; M216-T220 WeakPolarHBondContact O-CG2 3.14Å; M216-T220 PolarHBondContact O-N 3.24Å; M216-T220 VanDerWaalsContact O-N 3.14Å; M216-T220 PolarHBondContact O-OG1 2.9Å; Q217-T220 WeakPolarHBondContact CA-OG1 3.07Å; Q217-T220 PolarHBondContact O-N 3.34Å; Q217-T220 PolarHBondContact O-OG1 2.72Å; Q217-T220 VanDerWaalsContact O-OG1 3.07Å; Q218-T220 VanDerWaalsContact C-N 3.3Å; Q218-T220 PolarHBondContact O-N 3Å; T220-N222 PolarHBondContact O-N 3.09Å; T220-N222 VanDerWaalsContact O-N 3.11Å; T220-S223 WeakPolarHBondContact O-CA 3.36Å; T220-S223 WeakPolarHBondContact O-CB 3.29Å; T220-S223 PolarHBondContact O-N 3.18Å; T220-V228 HydrophobicContact CG2-CG1 4Å; T220-N229 PolarHBondContact O-OD1 2.98Å; T220-W232 HydrophobicContact CG2-CD2 4.02Å; T220-W232 HydrophobicContact CG2-CG 3.82Å; T220-W232 HydrophobicContact CG2-CZ2 4.44Å; T220-W232 VanDerWaalsContact CG2-NE1 3.26Å; T220-W232 WeakPolarHBondContact OG1-CB 3.41Å; T220-W232 VanDerWaalsContact OG1-CG 3.27Å
221	A	82.9	Confident	84.2	Confident	66 Å²	66	58.7 Å²	58.7	55%	0.545	30%	0.304	S	S	.	.	H	α-helix	trans	-57.1	-27.6	175.8	0	0	0	0	0	113.8	Q217 S223	Q217-A221 WeakPolarHBondContact O-CB 3.5Å; Q217-A221 PolarHBondContact O-N 3.49Å; A221-S223 VanDerWaalsContact C-N 3.31Å
222	N	79.1	Confident	84.6	Confident	148 Å²	148	56.5 Å²	56.5	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-0.2	176.4	-65.4	-29.8	0	0	0	113.3	T220	T220-N222 PolarHBondContact O-N 3.09Å; T220-N222 VanDerWaalsContact O-N 3.11Å
223	S	79.8	Confident	84.6	Confident	26 Å²	26	59.8 Å²	59.8	18%	0.182	31%	0.311	C	S	.	.			trans	-68.9	137.3	178.3	-175.4	0	0	0	0	110.6	T220 A221 D225 N229	T220-S223 WeakPolarHBondContact O-CA 3.36Å; T220-S223 WeakPolarHBondContact O-CB 3.29Å; T220-S223 PolarHBondContact O-N 3.18Å; A221-S223 VanDerWaalsContact C-N 3.31Å; S223-D225 PolarHBondContact O-N 2.95Å; S223-D225 PolarHBondContact OG-N 2.88Å; S223-N229 PolarHBondContact O-ND2 3.45Å
224	K	78.1	Confident	84.8	Confident	210 Å²	210	61.7 Å²	61.7	91%	0.913	32%	0.319	S	S	*	.	S	Bend	trans	-71.4	-14.1	171.5	-64.3	-178.2	-179.5	177.9	0	112.4	Q226	K224-Q226 PolarHBondContact O-N 3.08Å
225	D	82.8	Confident	84.9	Confident	56 Å²	56	59.5 Å²	59.5	30%	0.299	30%	0.304	S	S	.	.			trans	-86.1	111.3	-175.9	-167.7	-25.8	0	0	0	111.3	S223 I227 V228 N229	S223-D225 PolarHBondContact O-N 2.95Å; S223-D225 PolarHBondContact OG-N 2.88Å; D225-I227 PolarHBondContact O-N 3.09Å; D225-I227 WeakPolarHBondContact OD1-CB 3.27Å; D225-I227 PolarHBondContact OD1-N 3.07Å; D225-V228 HydrophobicContact CB-CB 4.1Å; D225-V228 HydrophobicContact CB-CG2 3.83Å; D225-V228 PolarHBondContact O-N 3.22Å; D225-N229 PolarHBondContact O-N 2.97Å
226	Q	83.3	Confident	85	Confident	138 Å²	138	59.8 Å²	59.8	65%	0.645	31%	0.305	S	S	*	.	H	α-helix	trans	-61.3	-30.8	178.7	-66.2	-173.6	-5.9	0	0	113	K224 N229 K230	K224-Q226 PolarHBondContact O-N 3.08Å; Q226-N229 PolarHBondContact O-N 3.31Å; Q226-K230 WeakPolarHBondContact O-CB 3.04Å; Q226-K230 WeakPolarHBondContact O-CG 3.34Å; Q226-K230 PolarHBondContact O-N 2.88Å
227	I	84.1	Confident	85	Confident	65 Å²	65	60.5 Å²	60.5	33%	0.333	31%	0.308	S	S	.	.	H	α-helix	trans	-68.2	-44.9	179.1	-59.5	175.2	0	0	0	109.3	D225 N229 K230 L231 I424 L450	D225-I227 PolarHBondContact O-N 3.09Å; D225-I227 WeakPolarHBondContact OD1-CB 3.27Å; D225-I227 PolarHBondContact OD1-N 3.07Å; I227-N229 VanDerWaalsContact C-N 3.34Å; I227-N229 PolarHBondContact O-N 2.91Å; I227-K230 PolarHBondContact O-N 3.23Å; I227-L231 VanDerWaalsContact O-CB 3.26Å; I227-L231 WeakPolarHBondContact O-CB 3.21Å; I227-L231 PolarHBondContact O-N 3.45Å; I227-I424 HydrophobicContact CG2-CD1 4.41Å; I227-L450 HydrophobicContact CG2-CD2 4.1Å
228	V	85.7	Confident	84.9	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-44.7	176.4	177.8	0	0	0	0	110.2	T220 D225 K230 L231 W232 Q453	T220-V228 HydrophobicContact CG2-CG1 4Å; D225-V228 HydrophobicContact CB-CB 4.1Å; D225-V228 HydrophobicContact CB-CG2 3.83Å; D225-V228 PolarHBondContact O-N 3.22Å; V228-K230 PolarHBondContact O-N 3.33Å; V228-L231 PolarHBondContact O-N 3.36Å; V228-W232 VanDerWaalsContact O-CD1 3.29Å; V228-W232 PolarHBondContact O-N 2.84Å; V228-Q453 HydrophobicContact CG2-CG 4.35Å
229	N	85.5	Confident	84.8	Confident	46 Å²	46	51.5 Å²	51.5	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-62.6	-44.7	179	-67	-13.1	0	0	0	112.1	T220 S223 D225 Q226 I227 T233	T220-N229 PolarHBondContact O-OD1 2.98Å; S223-N229 PolarHBondContact O-ND2 3.45Å; D225-N229 PolarHBondContact O-N 2.97Å; Q226-N229 PolarHBondContact O-N 3.31Å; I227-N229 VanDerWaalsContact C-N 3.34Å; I227-N229 PolarHBondContact O-N 2.91Å; N229-T233 WeakPolarHBondContact O-CB 3.39Å; N229-T233 PolarHBondContact O-N 3.45Å; N229-T233 PolarHBondContact O-OG1 3.34Å
230	K	85.3	Confident	84.6	Confident	100 Å²	100	52.6 Å²	52.6	44%	0.435	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-43.8	175.7	-75.3	-179.1	178.8	-179.8	0	111.5	Q226 I227 V228 T233 Y234 I424	Q226-K230 WeakPolarHBondContact O-CB 3.04Å; Q226-K230 WeakPolarHBondContact O-CG 3.34Å; Q226-K230 PolarHBondContact O-N 2.88Å; I227-K230 PolarHBondContact O-N 3.23Å; V228-K230 PolarHBondContact O-N 3.33Å; K230-T233 WeakPolarHBondContact O-CB 3.39Å; K230-T233 PolarHBondContact O-N 2.96Å; K230-Y234 WeakPolarHBondContact O-CD2 3.29Å; K230-Y234 PolarHBondContact O-N 3.15Å; K230-Y234 VanDerWaalsContact O-N 3.13Å; K230-I424 HydrophobicContact CB-CD1 4.23Å; K230-I424 HydrophobicContact CB-CG1 4.05Å
231	L	89	Confident	84.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-52.4	178.3	-173.5	160.9	0	0	0	111	I227 V228 T233 Y234 V235 I424 F427 L443 L450 Q453 V457	I227-L231 VanDerWaalsContact O-CB 3.26Å; I227-L231 WeakPolarHBondContact O-CB 3.21Å; I227-L231 PolarHBondContact O-N 3.45Å; V228-L231 PolarHBondContact O-N 3.36Å; L231-T233 VanDerWaalsContact C-N 3.27Å; L231-T233 PolarHBondContact O-N 3.02Å; L231-Y234 WeakPolarHBondContact O-CB 3.43Å; L231-Y234 PolarHBondContact O-N 2.83Å; L231-Y234 VanDerWaalsContact O-N 3.13Å; L231-V235 HydrophobicContact CD2-CG2 3.91Å; L231-V235 WeakPolarHBondContact O-CG2 3.35Å; L231-V235 PolarHBondContact O-N 3.19Å; L231-I424 HydrophobicContact CB-CD1 3.71Å; L231-I424 HydrophobicContact CG-CD1 4.42Å; L231-F427 HydrophobicContact CB-CE1 4.44Å; L231-F427 HydrophobicContact CD2-CZ 4.36Å; L231-F427 HydrophobicContact CG-CD1 4.34Å; L231-F427 HydrophobicContact CG-CE1 3.77Å; L231-F427 HydrophobicContact CG-CZ 3.97Å; L231-L443 HydrophobicContact CD1-CD1 3.71Å; L231-L443 HydrophobicContact CD1-CD2 3.87Å; L231-L443 HydrophobicContact CD1-CG 4.46Å; L231-L443 HydrophobicContact CG-CD1 4.43Å; L231-L450 HydrophobicContact CD1-CD2 4.35Å; L231-Q453 HydrophobicContact CD1-CB 4.12Å; L231-V457 HydrophobicContact CD2-CG2 3.84Å
232	W	89.3	Confident	84.1	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-70.2	-23	179.5	-77.4	97	0	0	0	113.4	F192 L213 M216 T220 V228 V235 S236 H456 V457 V460	F192-W232 HydrophobicContact CE1-CZ2 4.14Å; F192-W232 HydrophobicContact CZ-CZ2 4.17Å; L213-W232 HydrophobicContact CD1-CZ3 4.32Å; M216-W232 HydrophobicContact CB-CE3 4.28Å; M216-W232 HydrophobicContact CB-CH2 3.45Å; M216-W232 VanDerWaalsContact CB-CH2 3.45Å; M216-W232 HydrophobicContact CB-CZ2 4.21Å; M216-W232 HydrophobicContact CB-CZ3 3.49Å; M216-W232 VanDerWaalsContact CB-CZ3 3.49Å; M216-W232 HydrophobicContact CG-CH2 4.08Å; M216-W232 HydrophobicContact CG-CZ3 4.44Å; T220-W232 HydrophobicContact CG2-CD2 4.02Å; T220-W232 HydrophobicContact CG2-CG 3.82Å; T220-W232 HydrophobicContact CG2-CZ2 4.44Å; T220-W232 VanDerWaalsContact CG2-NE1 3.26Å; T220-W232 WeakPolarHBondContact OG1-CB 3.41Å; T220-W232 VanDerWaalsContact OG1-CG 3.27Å; V228-W232 VanDerWaalsContact O-CD1 3.29Å; V228-W232 PolarHBondContact O-N 2.84Å; W232-V235 HydrophobicContact CE3-CB 4.07Å; W232-V235 HydrophobicContact CE3-CG1 3.99Å; W232-V235 HydrophobicContact CZ3-CG1 3.94Å; W232-V235 PolarHBondContact O-N 2.67Å; W232-S236 VanDerWaalsContact O-CB 3.28Å; W232-S236 WeakPolarHBondContact O-CB 2.96Å; W232-S236 PolarHBondContact O-N 3.37Å; W232-H456 HydrophobicContact CH2-CB 4.47Å; W232-H456 HydrophobicContact CZ2-CB 4.23Å; W232-V457 HydrophobicContact CH2-CG2 4.02Å; W232-V457 HydrophobicContact CZ2-CG2 3.88Å; W232-V460 HydrophobicContact CH2-CG2 4.28Å; W232-V460 HydrophobicContact CZ3-CG2 4.45Å
233	T	87.2	Confident	84.1	Confident	70 Å²	70	51 Å²	51	43%	0.429	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-46.2	168.6	-59.3	0	0	0	0	110.6	N229 K230 L231 S236	N229-T233 WeakPolarHBondContact O-CB 3.39Å; N229-T233 PolarHBondContact O-N 3.45Å; N229-T233 PolarHBondContact O-OG1 3.34Å; K230-T233 WeakPolarHBondContact O-CB 3.39Å; K230-T233 PolarHBondContact O-N 2.96Å; L231-T233 VanDerWaalsContact C-N 3.27Å; L231-T233 PolarHBondContact O-N 3.02Å; T233-S236 PolarHBondContact O-N 3.04Å; T233-S236 PolarHBondContact O-OG 2.96Å
234	Y	88.5	Confident	83.7	Confident	45 Å²	45	56.3 Å²	56.3	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-40.4	174.2	-66.7	-59.7	0	0	0	112.8	K230 L231 S236 L237 H269 I424 F427 W431 L432	K230-Y234 WeakPolarHBondContact O-CD2 3.29Å; K230-Y234 PolarHBondContact O-N 3.15Å; K230-Y234 VanDerWaalsContact O-N 3.13Å; L231-Y234 WeakPolarHBondContact O-CB 3.43Å; L231-Y234 PolarHBondContact O-N 2.83Å; L231-Y234 VanDerWaalsContact O-N 3.13Å; Y234-S236 VanDerWaalsContact C-N 3.3Å; Y234-S236 PolarHBondContact O-N 2.81Å; Y234-L237 HydrophobicContact CD1-CD1 4.32Å; Y234-L237 VanDerWaalsContact O-CB 3.31Å; Y234-L237 WeakPolarHBondContact O-CB 3.42Å; Y234-L237 WeakPolarHBondContact O-CG 3.5Å; Y234-L237 PolarHBondContact O-N 3.44Å; Y234-H269 AromaticContact CD1-NE2 3.88Å; Y234-H269 AromaticContact CE1-NE2 3.66Å; Y234-I424 HydrophobicContact CE2-CG1 4.07Å; Y234-F427 HydrophobicContact CD2-CE1 4.32Å; Y234-W431 PolarHBondContact O-NE1 2.85Å; Y234-L432 HydrophobicContact CD1-CD1 4.29Å; Y234-L432 HydrophobicContact CD1-CD2 4.05Å; Y234-L432 HydrophobicContact CD1-CG 4.35Å; Y234-L432 HydrophobicContact CE1-CD1 4.05Å
235	V	88.3	Confident	83.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-37.4	176.8	-178.8	0	0	0	0	110.8	L213 L231 W232 L237 L238 F427 W431 V457	L213-V235 HydrophobicContact CD1-CG1 3.65Å; L231-V235 HydrophobicContact CD2-CG2 3.91Å; L231-V235 WeakPolarHBondContact O-CG2 3.35Å; L231-V235 PolarHBondContact O-N 3.19Å; W232-V235 HydrophobicContact CE3-CB 4.07Å; W232-V235 HydrophobicContact CE3-CG1 3.99Å; W232-V235 HydrophobicContact CZ3-CG1 3.94Å; W232-V235 PolarHBondContact O-N 2.67Å; V235-L237 PolarHBondContact O-N 3.48Å; V235-L237 VanDerWaalsContact O-N 3.15Å; V235-L238 VanDerWaalsContact O-CB 3.3Å; V235-L238 WeakPolarHBondContact O-CB 3.49Å; V235-L238 PolarHBondContact O-N 3.24Å; V235-F427 HydrophobicContact CG2-CZ 4.45Å; V235-W431 HydrophobicContact CB-CZ2 3.96Å; V235-W431 HydrophobicContact CG1-CH2 4.34Å; V235-W431 HydrophobicContact CG1-CZ2 3.93Å; V235-W431 HydrophobicContact CG2-CH2 3.92Å; V235-W431 HydrophobicContact CG2-CZ2 3.61Å; V235-V457 HydrophobicContact CG2-CG1 4.13Å; V235-V457 HydrophobicContact CG2-CG2 3.94Å
236	S	87.8	Confident	82.4	Confident	15 Å²	15	49.4 Å²	49.4	11%	0.105	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-22.4	179.1	79.6	0	0	0	0	113.7	Q217 W232 T233 Y234 L238 S239	Q217-S236 VanDerWaalsContact CD-CB 3.47Å; W232-S236 VanDerWaalsContact O-CB 3.28Å; W232-S236 WeakPolarHBondContact O-CB 2.96Å; W232-S236 PolarHBondContact O-N 3.37Å; T233-S236 PolarHBondContact O-N 3.04Å; T233-S236 PolarHBondContact O-OG 2.96Å; Y234-S236 VanDerWaalsContact C-N 3.3Å; Y234-S236 PolarHBondContact O-N 2.81Å; S236-L238 PolarHBondContact O-N 2.9Å; S236-S239 VanDerWaalsContact O-CB 3.26Å; S236-S239 WeakPolarHBondContact O-CB 3.13Å; S236-S239 PolarHBondContact O-N 3.08Å; S236-S239 PolarHBondContact O-OG 3.28Å
237	L	86.3	Confident	81.3	Confident	15 Å²	15	51.1 Å²	51.1	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-58	-32.1	173.6	-61.3	175	0	0	0	111.7	Y234 V235 S239 N240 V241 V265 H269 L432	Y234-L237 HydrophobicContact CD1-CD1 4.32Å; Y234-L237 VanDerWaalsContact O-CB 3.31Å; Y234-L237 WeakPolarHBondContact O-CB 3.42Å; Y234-L237 WeakPolarHBondContact O-CG 3.5Å; Y234-L237 PolarHBondContact O-N 3.44Å; V235-L237 PolarHBondContact O-N 3.48Å; V235-L237 VanDerWaalsContact O-N 3.15Å; L237-S239 PolarHBondContact O-N 3.29Å; L237-N240 WeakPolarHBondContact O-CB 3.08Å; L237-N240 PolarHBondContact O-N 3.34Å; L237-V241 PolarHBondContact O-N 3.43Å; L237-V265 HydrophobicContact CB-CG1 4.23Å; L237-H269 HydrophobicContact CD1-CB 4.04Å; L237-H269 VanDerWaalsContact CD1-CD2 3.48Å; L237-H269 WeakPolarHBondContact CD1-CD2 3.21Å; L237-H269 HydrophobicContact CD2-CB 3.75Å; L237-L432 HydrophobicContact CD1-CD2 3.69Å
238	L	83.5	Confident	79.9	Confident	2 Å²	2	53 Å²	53	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-60.5	-29.6	175.2	-64.6	-177.6	0	0	0	112.3	L213 V235 S236 N240 V241 V242 F262 W431 F436 V461 L464 L466	L213-L238 HydrophobicContact CD2-CB 4.2Å; V235-L238 VanDerWaalsContact O-CB 3.3Å; V235-L238 WeakPolarHBondContact O-CB 3.49Å; V235-L238 PolarHBondContact O-N 3.24Å; S236-L238 PolarHBondContact O-N 2.9Å; L238-N240 VanDerWaalsContact C-N 3.26Å; L238-N240 PolarHBondContact O-N 3.43Å; L238-V241 PolarHBondContact O-N 3.22Å; L238-V242 VanDerWaalsContact O-CG2 3.24Å; L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 2.97Å; L238-F262 HydrophobicContact CD2-CD2 4.24Å; L238-F262 HydrophobicContact CD2-CE2 3.87Å; L238-W431 HydrophobicContact CD1-CH2 4.16Å; L238-W431 HydrophobicContact CD1-CZ2 3.5Å; L238-W431 HydrophobicContact CG-CZ2 4.12Å; L238-F436 HydrophobicContact CD2-CE1 4.09Å; L238-F436 HydrophobicContact CD2-CZ 3.95Å; L238-V461 HydrophobicContact CD1-CG2 4.24Å; L238-L464 HydrophobicContact CB-CD1 4.2Å; L238-L464 HydrophobicContact CD1-CD1 4.25Å; L238-L466 HydrophobicContact CD1-CD1 4.17Å; L238-L466 HydrophobicContact CD2-CD1 4.03Å
239	S	83.2	Confident	78.6	Confident	21 Å²	21	56.2 Å²	56.2	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-62	-37.7	176	75	0	0	0	0	111.6	S236 L237 K243	S236-S239 VanDerWaalsContact O-CB 3.26Å; S236-S239 WeakPolarHBondContact O-CB 3.13Å; S236-S239 PolarHBondContact O-N 3.08Å; S236-S239 PolarHBondContact O-OG 3.28Å; L237-S239 PolarHBondContact O-N 3.29Å; S239-K243 WeakPolarHBondContact O-CB 3.25Å; S239-K243 WeakPolarHBondContact O-CD 3.47Å; S239-K243 WeakPolarHBondContact O-CG 3.45Å; S239-K243 PolarHBondContact O-N 3.06Å
240	N	81.1	Confident	77.5	Confident	70 Å²	70	58.8 Å²	58.8	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-74.1	-34.3	177.7	-67.2	-24.9	0	0	0	111.3	L237 L238 R244 V265	L237-N240 WeakPolarHBondContact O-CB 3.08Å; L237-N240 PolarHBondContact O-N 3.34Å; L238-N240 VanDerWaalsContact C-N 3.26Å; L238-N240 PolarHBondContact O-N 3.43Å; N240-R244 WeakPolarHBondContact O-CG 3.34Å; N240-R244 PolarHBondContact O-N 3.16Å; N240-V265 HydrophobicContact CB-CG1 3.96Å; N240-V265 HydrophobicContact CB-CG2 4.25Å
241	V	80.1	Confident	76.8	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-49.4	173.3	-179.8	0	0	0	0	110.4	L237 L238 K243 R244 Y258 S261 F262 V265	L237-V241 PolarHBondContact O-N 3.43Å; L238-V241 PolarHBondContact O-N 3.22Å; V241-K243 PolarHBondContact O-N 3.01Å; V241-R244 PolarHBondContact O-N 3.21Å; V241-Y258 HydrophobicContact CG1-CD2 4.11Å; V241-Y258 HydrophobicContact CG1-CE2 3.84Å; V241-S261 PolarHBondContact O-OG 3.36Å; V241-F262 HydrophobicContact CG1-CB 4.23Å; V241-F262 HydrophobicContact CG1-CD2 4.45Å; V241-F262 HydrophobicContact CG2-CD2 4.04Å; V241-V265 HydrophobicContact CG2-CB 3.73Å; V241-V265 HydrophobicContact CG2-CG1 3.87Å; V241-V265 HydrophobicContact CG2-CG2 3.86Å
242	V	77.7	Confident	76.1	Confident	26 Å²	26	59.4 Å²	59.4	16%	0.158	32%	0.323	C	S	.	.	H	α-helix	trans	-64.1	-41.6	-178.4	175	0	0	0	0	111.3	L238 R244 L245 L464	L238-V242 VanDerWaalsContact O-CG2 3.24Å; L238-V242 WeakPolarHBondContact O-CG2 3.35Å; L238-V242 PolarHBondContact O-N 2.97Å; V242-R244 PolarHBondContact O-N 3.49Å; V242-L245 PolarHBondContact O-N 3.33Å; V242-L245 VanDerWaalsContact O-N 3.1Å; V242-L464 HydrophobicContact CG2-CD1 4.23Å; V242-L464 HydrophobicContact CG2-CD2 3.87Å
243	K	78.9	Confident	75.4	Confident	155 Å²	155	61.6 Å²	61.6	67%	0.674	33%	0.333	S	S	*	.	H	α-helix	trans	-59.5	-29.1	176.2	-77.6	170.3	-175	171.9	0	113.9	S239 V241 L245	S239-K243 WeakPolarHBondContact O-CB 3.25Å; S239-K243 WeakPolarHBondContact O-CD 3.47Å; S239-K243 WeakPolarHBondContact O-CG 3.45Å; S239-K243 PolarHBondContact O-N 3.06Å; V241-K243 PolarHBondContact O-N 3.01Å; K243-L245 VanDerWaalsContact C-N 3.33Å
244	R	72.9	Confident	74.6	Confident	137 Å²	137	62.7 Å²	62.7	52%	0.517	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-11	179.7	-74	-180	-179.2	-166.4	2	113.1	N240 V241 V242 S261 S264	N240-R244 WeakPolarHBondContact O-CG 3.34Å; N240-R244 PolarHBondContact O-N 3.16Å; V241-R244 PolarHBondContact O-N 3.21Å; V242-R244 PolarHBondContact O-N 3.49Å; R244-S261 WeakPolarHBondContact CB-OG 3.5Å; R244-S264 PolarHBondContact NH1-OG 2.97Å
245	L	71.4	Confident	74	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.126	34%	0.336	C	S	.	.	S	Bend	trans	-90.8	142.2	179.8	-64.6	167	0	0	0	110.3	V242 K243 N247 V251 E257 Y258	V242-L245 PolarHBondContact O-N 3.33Å; V242-L245 VanDerWaalsContact O-N 3.1Å; K243-L245 VanDerWaalsContact C-N 3.33Å; L245-N247 PolarHBondContact O-N 3.29Å; L245-V251 HydrophobicContact CD1-CB 4.48Å; L245-V251 HydrophobicContact CD1-CG1 3.56Å; L245-V251 HydrophobicContact CD1-CG2 4.04Å; L245-E257 HydrophobicContact CD2-CB 4.25Å; L245-Y258 HydrophobicContact CD1-CD2 4.02Å
246	P	62.1	Low	73.5	Confident	97 Å²	97	64.5 Å²	64.5	63%	0.63	36%	0.355	S	S	*	.			trans	-59.4	134.2	169.7	24.6	-30.7	0	0	0	108.8	V248	P246-V248 PolarHBondContact O-N 2.95Å
247	N	58.5	Low	73	Confident	174 Å²	174	69 Å²	69	93%	0.93	38%	0.375	S	S	*	.	S	Bend	trans	-50.5	65.2	-169.4	-79.8	-23.2	0	0	0	116.4	L245	L245-N247 PolarHBondContact O-N 3.29Å
248	V	55	Low	72.7	Confident	104 Å²	104	68.7 Å²	68.7	63%	0.63	37%	0.373	S	S	*	.			trans	-123.6	95.8	176.6	-169.5	0	0	0	0	107	P246 P250	P246-V248 PolarHBondContact O-N 2.95Å; V248-P250 CarbonylContact O-C 3.55Å
249	S	58.2	Low	72.5	Confident	75 Å²	75	75.6 Å²	75.6	52%	0.524	40%	0.399	S	S	.	.	S	Bend	trans	-94.5	135.3	162.6	-63.4	0	0	0	0	107.9
250	P	64.3	Low	72.2	Confident	99 Å²	99	77.5 Å²	77.5	64%	0.643	41%	0.407	S	S	*	.	S	Bend	cis	-74.4	147.8	3	30.4	-34.6	0	0	0	113.4	V248 N252	V248-P250 CarbonylContact O-C 3.55Å; P250-N252 PolarHBondContact O-N 2.91Å
251	V	69.5	Low	72.2	Confident	11 Å²	11	74.9 Å²	74.9	7%	0.067	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-72.2	122	178.7	176.6	0	0	0	0	109.9	L245 K253 Y258 L464 L466	L245-V251 HydrophobicContact CD1-CB 4.48Å; L245-V251 HydrophobicContact CD1-CG1 3.56Å; L245-V251 HydrophobicContact CD1-CG2 4.04Å; V251-K253 PolarHBondContact O-N 2.82Å; V251-Y258 HydrophobicContact CG1-CD2 3.42Å; V251-Y258 VanDerWaalsContact CG1-CD2 3.42Å; V251-Y258 HydrophobicContact CG1-CE2 3.99Å; V251-Y258 HydrophobicContact CG1-CG 4.13Å; V251-L464 WeakPolarHBondContact CB-O 3.45Å; V251-L464 PolarHBondContact N-O 3.49Å; V251-L466 HydrophobicContact CB-CD2 3.89Å; V251-L466 HydrophobicContact CG1-CD2 3.71Å
252	N	73.6	Confident	72.4	Confident	102 Å²	102	75.6 Å²	75.6	55%	0.545	40%	0.397	S	S	.	.			trans	-77.1	103.7	174.1	-174.6	-8.6	0	0	0	110.8	P250 D254 S255 Y258	P250-N252 PolarHBondContact O-N 2.91Å; N252-D254 PolarHBondContact O-N 3.47Å; N252-D254 WeakPolarHBondContact OD1-CB 3.33Å; N252-D254 PolarHBondContact OD1-N 3.45Å; N252-S255 VanDerWaalsContact O-CB 3.31Å; N252-S255 WeakPolarHBondContact O-CB 3.46Å; N252-S255 PolarHBondContact O-N 3.16Å; N252-S255 VanDerWaalsContact O-N 3.14Å; N252-S255 PolarHBondContact O-OG 3.01Å; N252-Y258 WeakPolarHBondContact O-CB 3.46Å
253	K	74.7	Confident	72.6	Confident	51 Å²	51	77.1 Å²	77.1	22%	0.222	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.9	178.6	-169.8	-178.5	-177.7	178.9	0	113.5	V251 S255 Y258 E437	V251-K253 PolarHBondContact O-N 2.82Å; K253-S255 VanDerWaalsContact C-N 3.32Å; K253-Y258 HydrophobicContact CB-CD1 4.44Å; K253-Y258 HydrophobicContact CB-CE1 4.38Å; K253-Y258 HydrophobicContact CG-CD1 4.18Å; K253-Y258 HydrophobicContact CG-CE1 3.75Å; K253-Y258 VanDerWaalsContact O-CD1 3.28Å; K253-Y258 WeakPolarHBondContact O-CD1 3.47Å; K253-E437 IonicContact NZ-OE1 3.64Å; K253-E437 PolarHBondContact NZ-OE1 2.64Å; K253-E437 IonicContact NZ-OE2 2.71Å; K253-E437 PolarHBondContact NZ-OE2 2.75Å
254	D	71.8	Confident	72.7	Confident	92 Å²	92	70.8 Å²	70.8	49%	0.492	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.1	-178.4	-63.5	-25.5	0	0	0	112.9	N252 R484	N252-D254 PolarHBondContact O-N 3.47Å; N252-D254 WeakPolarHBondContact OD1-CB 3.33Å; N252-D254 PolarHBondContact OD1-N 3.45Å; D254-R484 IonicContact OD2-NH1 3.45Å
255	S	76	Confident	73.3	Confident	25 Å²	25	64.5 Å²	64.5	18%	0.175	36%	0.36	C	S	.	.	S	Bend	trans	-61.4	143	-179.6	70.1	0	0	0	0	111.8	N252 K253 E257 Y258 R259	N252-S255 VanDerWaalsContact O-CB 3.31Å; N252-S255 WeakPolarHBondContact O-CB 3.46Å; N252-S255 PolarHBondContact O-N 3.16Å; N252-S255 VanDerWaalsContact O-N 3.14Å; N252-S255 PolarHBondContact O-OG 3.01Å; K253-S255 VanDerWaalsContact C-N 3.32Å; S255-E257 WeakPolarHBondContact CB-OE2 3.18Å; S255-E257 PolarHBondContact O-N 3.08Å; S255-Y258 PolarHBondContact O-N 2.92Å; S255-Y258 WeakPolarHBondContact OG-CB 3.22Å; S255-Y258 PolarHBondContact OG-N 3.31Å; S255-Y258 VanDerWaalsContact OG-N 3.13Å; S255-R259 PolarHBondContact O-N 3.46Å
256	S	76.4	Confident	74	Confident	58 Å²	58	64 Å²	64	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-37.3	173.5	27.9	0	0	0	0	111.3	R259 L260	S256-R259 PolarHBondContact O-N 3.4Å; S256-L260 WeakPolarHBondContact O-CB 3.27Å; S256-L260 VanDerWaalsContact O-CG 3.31Å; S256-L260 WeakPolarHBondContact O-CG 3.49Å; S256-L260 PolarHBondContact O-N 2.94Å
257	E	77.5	Confident	75	Confident	111 Å²	111	63.2 Å²	63.2	52%	0.519	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-46.3	-178.7	-61.3	69	-144.9	0	0	110.6	L245 S255 S261	L245-E257 HydrophobicContact CD2-CB 4.25Å; S255-E257 WeakPolarHBondContact CB-OE2 3.18Å; S255-E257 PolarHBondContact O-N 3.08Å; E257-S261 WeakPolarHBondContact O-CB 3.1Å; E257-S261 PolarHBondContact O-N 3.37Å
258	Y	81.2	Confident	76.3	Confident	8 Å²	8	57 Å²	57	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-59.4	-51.2	174.3	173.5	-98.7	0	0	0	111.5	V241 L245 V251 N252 K253 S255 L260 S261 F262 F436 L466	V241-Y258 HydrophobicContact CG1-CD2 4.11Å; V241-Y258 HydrophobicContact CG1-CE2 3.84Å; L245-Y258 HydrophobicContact CD1-CD2 4.02Å; V251-Y258 HydrophobicContact CG1-CD2 3.42Å; V251-Y258 VanDerWaalsContact CG1-CD2 3.42Å; V251-Y258 HydrophobicContact CG1-CE2 3.99Å; V251-Y258 HydrophobicContact CG1-CG 4.13Å; N252-Y258 WeakPolarHBondContact O-CB 3.46Å; K253-Y258 HydrophobicContact CB-CD1 4.44Å; K253-Y258 HydrophobicContact CB-CE1 4.38Å; K253-Y258 HydrophobicContact CG-CD1 4.18Å; K253-Y258 HydrophobicContact CG-CE1 3.75Å; K253-Y258 VanDerWaalsContact O-CD1 3.28Å; K253-Y258 WeakPolarHBondContact O-CD1 3.47Å; S255-Y258 PolarHBondContact O-N 2.92Å; S255-Y258 WeakPolarHBondContact OG-CB 3.22Å; S255-Y258 PolarHBondContact OG-N 3.31Å; S255-Y258 VanDerWaalsContact OG-N 3.13Å; Y258-L260 PolarHBondContact O-N 2.91Å; Y258-S261 PolarHBondContact O-N 3.4Å; Y258-F262 HydrophobicContact CE1-CB 4.29Å; Y258-F262 HydrophobicContact CE2-CB 4.49Å; Y258-F262 WeakPolarHBondContact O-CB 3.38Å; Y258-F262 PolarHBondContact O-N 2.82Å; Y258-F436 VanDerWaalsContact OH-CE2 3.31Å; Y258-F436 WeakPolarHBondContact OH-CE2 3.46Å; Y258-F436 WeakPolarHBondContact OH-CZ 3.45Å; Y258-L466 HydrophobicContact CD2-CD2 4.06Å; Y258-L466 HydrophobicContact CE1-CD2 4.41Å; Y258-L466 HydrophobicContact CE2-CD1 4.2Å; Y258-L466 HydrophobicContact CE2-CD2 3.33Å; Y258-L466 HydrophobicContact CE2-CG 4.41Å
259	R	78.6	Confident	77.8	Confident	147 Å²	147	53.5 Å²	53.5	56%	0.555	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-43.5	-176.6	-71.6	-175.6	-71.9	163.5	-4.6	112.1	S255 S256 C263	S255-R259 PolarHBondContact O-N 3.46Å; S256-R259 PolarHBondContact O-N 3.4Å; R259-C263 WeakPolarHBondContact O-CB 3.42Å; R259-C263 PolarHBondContact O-N 3.42Å; R259-C263 PolarHBondContact O-SG 3.3Å
260	L	76.3	Confident	79.2	Confident	61 Å²	61	52.8 Å²	52.8	32%	0.319	28%	0.283	S	S	.	.	H	α-helix	trans	-65.8	-45.6	177.2	-71.1	171.7	0	0	0	111.8	S256 Y258 C263 S264 L368 T369	S256-L260 WeakPolarHBondContact O-CB 3.27Å; S256-L260 VanDerWaalsContact O-CG 3.31Å; S256-L260 WeakPolarHBondContact O-CG 3.49Å; S256-L260 PolarHBondContact O-N 2.94Å; Y258-L260 PolarHBondContact O-N 2.91Å; L260-C263 PolarHBondContact O-N 3.1Å; L260-S264 WeakPolarHBondContact O-CB 3.48Å; L260-S264 PolarHBondContact O-N 3.29Å; L260-L368 HydrophobicContact CD2-CB 4.05Å; L260-T369 HydrophobicContact CD1-CG2 4.4Å
261	S	81.6	Confident	80.3	Confident	14 Å²	14	49.6 Å²	49.6	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-61.7	-46.6	177.3	-178.9	0	0	0	0	111.6	V241 R244 E257 Y258 S264 V265	V241-S261 PolarHBondContact O-OG 3.36Å; R244-S261 WeakPolarHBondContact CB-OG 3.5Å; E257-S261 WeakPolarHBondContact O-CB 3.1Å; E257-S261 PolarHBondContact O-N 3.37Å; Y258-S261 PolarHBondContact O-N 3.4Å; S261-S264 PolarHBondContact O-N 3.08Å; S261-V265 WeakPolarHBondContact O-CG2 3.44Å; S261-V265 PolarHBondContact O-N 2.72Å
262	F	84.6	Confident	81.1	Confident	16 Å²	16	55 Å²	55	7%	0.07	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-51.4	177.5	-177.4	-94.4	0	0	0	111.3	L238 V241 Y258 S264 V265 V266 L432 F436	L238-F262 HydrophobicContact CD2-CD2 4.24Å; L238-F262 HydrophobicContact CD2-CE2 3.87Å; V241-F262 HydrophobicContact CG1-CB 4.23Å; V241-F262 HydrophobicContact CG1-CD2 4.45Å; V241-F262 HydrophobicContact CG2-CD2 4.04Å; Y258-F262 HydrophobicContact CE1-CB 4.29Å; Y258-F262 HydrophobicContact CE2-CB 4.49Å; Y258-F262 WeakPolarHBondContact O-CB 3.38Å; Y258-F262 PolarHBondContact O-N 2.82Å; F262-S264 VanDerWaalsContact C-N 3.35Å; F262-S264 PolarHBondContact O-N 3.25Å; F262-V265 PolarHBondContact O-N 3.03Å; F262-V266 HydrophobicContact CD1-CG2 4.21Å; F262-V266 HydrophobicContact CE1-CG2 3.8Å; F262-V266 HydrophobicContact CE2-CG2 4.18Å; F262-V266 HydrophobicContact CZ-CG2 3.78Å; F262-V266 WeakPolarHBondContact O-CB 3.25Å; F262-V266 WeakPolarHBondContact O-CG2 3.34Å; F262-V266 PolarHBondContact O-N 3.44Å; F262-L432 WeakPolarHBondContact CE1-O 3.47Å; F262-F436 HydrophobicContact CD2-CZ 4.36Å; F262-F436 HydrophobicContact CE2-CE1 4.09Å; F262-F436 AromaticContact CE2-CZ 3.6Å; F262-F436 HydrophobicContact CE2-CZ 3.6Å; F262-F436 HydrophobicContact CZ-CE1 4.28Å; F262-F436 AromaticContact CZ-CZ 3.98Å; F262-F436 HydrophobicContact CZ-CZ 3.98Å
263	C	81.4	Confident	81.7	Confident	59 Å²	59	53.2 Å²	53.2	40%	0.399	28%	0.28	S	S	.	.	H	α-helix	trans	-61.6	-41.8	178.4	-70.9	0	0	0	0	112.2	R259 L260 V266 Q267 L368	R259-C263 WeakPolarHBondContact O-CB 3.42Å; R259-C263 PolarHBondContact O-N 3.42Å; R259-C263 PolarHBondContact O-SG 3.3Å; L260-C263 PolarHBondContact O-N 3.1Å; C263-V266 PolarHBondContact O-N 3.26Å; C263-Q267 WeakPolarHBondContact O-CB 3.41Å; C263-Q267 PolarHBondContact O-N 2.79Å; C263-L368 HydrophobicContact CB-CD1 3.33Å
264	S	81.3	Confident	82.3	Confident	21 Å²	21	52.4 Å²	52.4	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-47	177.2	175	0	0	0	0	111.7	R244 L260 S261 F262 Q267 S268	R244-S264 PolarHBondContact NH1-OG 2.97Å; L260-S264 WeakPolarHBondContact O-CB 3.48Å; L260-S264 PolarHBondContact O-N 3.29Å; S261-S264 PolarHBondContact O-N 3.08Å; F262-S264 VanDerWaalsContact C-N 3.35Å; F262-S264 PolarHBondContact O-N 3.25Å; S264-Q267 PolarHBondContact O-N 3.08Å; S264-S268 PolarHBondContact O-N 3.32Å; S264-S268 PolarHBondContact O-OG 3.35Å; S264-S268 VanDerWaalsContact O-OG 3.09Å
265	V	85.5	Confident	83	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-43.8	179.1	171.8	0	0	0	0	111.7	L237 N240 V241 S261 F262 H269	L237-V265 HydrophobicContact CB-CG1 4.23Å; N240-V265 HydrophobicContact CB-CG1 3.96Å; N240-V265 HydrophobicContact CB-CG2 4.25Å; V241-V265 HydrophobicContact CG2-CB 3.73Å; V241-V265 HydrophobicContact CG2-CG1 3.87Å; V241-V265 HydrophobicContact CG2-CG2 3.86Å; S261-V265 WeakPolarHBondContact O-CG2 3.44Å; S261-V265 PolarHBondContact O-N 2.72Å; F262-V265 PolarHBondContact O-N 3.03Å; V265-H269 WeakPolarHBondContact O-CB 3.1Å; V265-H269 PolarHBondContact O-N 3.08Å
266	V	85.9	Confident	83.5	Confident	15 Å²	15	53.4 Å²	53.4	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-44.4	177.3	166.5	0	0	0	0	110.9	F262 C263 H269 L270 L432	F262-V266 HydrophobicContact CD1-CG2 4.21Å; F262-V266 HydrophobicContact CE1-CG2 3.8Å; F262-V266 HydrophobicContact CE2-CG2 4.18Å; F262-V266 HydrophobicContact CZ-CG2 3.78Å; F262-V266 WeakPolarHBondContact O-CB 3.25Å; F262-V266 WeakPolarHBondContact O-CG2 3.34Å; F262-V266 PolarHBondContact O-N 3.44Å; C263-V266 PolarHBondContact O-N 3.26Å; V266-H269 PolarHBondContact O-N 3.22Å; V266-L270 HydrophobicContact CG1-CD1 3.98Å; V266-L270 HydrophobicContact CG1-CG 4.46Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.12Å; V266-L432 HydrophobicContact CG1-CB 3.94Å; V266-L432 HydrophobicContact CG1-CD2 4.06Å; V266-L432 HydrophobicContact CG2-CD2 4.12Å
267	Q	83.2	Confident	84	Confident	80 Å²	80	54.1 Å²	54.1	37%	0.374	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-53.4	177.7	177.4	-179.8	-15.5	0	0	110.9	C263 S264 H269 L270 E271	C263-Q267 WeakPolarHBondContact O-CB 3.41Å; C263-Q267 PolarHBondContact O-N 2.79Å; S264-Q267 PolarHBondContact O-N 3.08Å; Q267-H269 PolarHBondContact O-N 3.47Å; Q267-L270 PolarHBondContact O-N 2.94Å; Q267-E271 HydrophobicContact CG-CG 4.32Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.31Å; Q267-E271 PolarHBondContact NE2-OE1 3.27Å; Q267-E271 WeakPolarHBondContact O-CB 3.42Å; Q267-E271 VanDerWaalsContact O-CG 3.29Å; Q267-E271 WeakPolarHBondContact O-CG 3.21Å; Q267-E271 PolarHBondContact O-N 3.01Å
268	S	86	Confident	84.4	Confident	44 Å²	44	48.9 Å²	48.9	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-57.9	-36.8	178.6	-60.2	0	0	0	0	112.4	S264 E271 L272	S264-S268 PolarHBondContact O-N 3.32Å; S264-S268 PolarHBondContact O-OG 3.35Å; S264-S268 VanDerWaalsContact O-OG 3.09Å; S268-E271 WeakPolarHBondContact CA-OE2 3.42Å; S268-L272 VanDerWaalsContact O-CG 3.3Å; S268-L272 WeakPolarHBondContact O-CG 3.02Å; S268-L272 PolarHBondContact O-N 2.87Å; S268-L272 VanDerWaalsContact O-N 3.07Å
269	H	87.3	Confident	84.7	Confident	30 Å²	30	50.9 Å²	50.9	14%	0.139	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-47	174.5	177.5	67.4	0	0	0	112.3	Y234 L237 V265 V266 Q267 E271 L272 V273	Y234-H269 AromaticContact CD1-NE2 3.88Å; Y234-H269 AromaticContact CE1-NE2 3.66Å; L237-H269 HydrophobicContact CD1-CB 4.04Å; L237-H269 VanDerWaalsContact CD1-CD2 3.48Å; L237-H269 WeakPolarHBondContact CD1-CD2 3.21Å; L237-H269 HydrophobicContact CD2-CB 3.75Å; V265-H269 WeakPolarHBondContact O-CB 3.1Å; V265-H269 PolarHBondContact O-N 3.08Å; V266-H269 PolarHBondContact O-N 3.22Å; Q267-H269 PolarHBondContact O-N 3.47Å; H269-E271 VanDerWaalsContact C-N 3.27Å; H269-E271 PolarHBondContact O-N 3.3Å; H269-L272 PolarHBondContact O-N 2.81Å; H269-V273 VanDerWaalsContact O-CG2 3.3Å; H269-V273 WeakPolarHBondContact O-CG2 3.24Å; H269-V273 PolarHBondContact O-N 3.36Å
270	L	86.1	Confident	85	Confident	60 Å²	60	48.6 Å²	48.6	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-65.7	-30.6	179.3	-74.1	176.1	0	0	0	113	V266 Q267 Y274 R335 L432	V266-L270 HydrophobicContact CG1-CD1 3.98Å; V266-L270 HydrophobicContact CG1-CG 4.46Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.12Å; Q267-L270 PolarHBondContact O-N 2.94Å; L270-Y274 WeakPolarHBondContact O-CB 3.4Å; L270-Y274 PolarHBondContact O-N 3.39Å; L270-R335 PolarHBondContact O-NH1 3.41Å; L270-L432 HydrophobicContact CD2-CD1 3.81Å; L270-L432 HydrophobicContact CG-CD1 4.33Å
271	E	87	Confident	85.5	Confident	32 Å²	32	46.5 Å²	46.5	15%	0.15	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-49.1	172.8	-73.5	166.5	170.6	0	0	110.9	Q267 S268 H269 V273 Y274 A275 G337	Q267-E271 HydrophobicContact CG-CG 4.32Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.31Å; Q267-E271 PolarHBondContact NE2-OE1 3.27Å; Q267-E271 WeakPolarHBondContact O-CB 3.42Å; Q267-E271 VanDerWaalsContact O-CG 3.29Å; Q267-E271 WeakPolarHBondContact O-CG 3.21Å; Q267-E271 PolarHBondContact O-N 3.01Å; S268-E271 WeakPolarHBondContact CA-OE2 3.42Å; H269-E271 VanDerWaalsContact C-N 3.27Å; H269-E271 PolarHBondContact O-N 3.3Å; E271-V273 PolarHBondContact O-N 3.45Å; E271-Y274 PolarHBondContact O-N 3.43Å; E271-A275 PolarHBondContact O-N 3.1Å; E271-G337 WeakPolarHBondContact OE1-CA 3.43Å
272	L	87.5	Confident	85.7	Confident	123 Å²	123	46 Å²	46	64%	0.644	25%	0.248	S	C	*	.	H	α-helix	trans	-61.1	-44.5	176.1	-74.1	170.4	0	0	0	112.6	S268 H269 Y274 A275 D276	S268-L272 VanDerWaalsContact O-CG 3.3Å; S268-L272 WeakPolarHBondContact O-CG 3.02Å; S268-L272 PolarHBondContact O-N 2.87Å; S268-L272 VanDerWaalsContact O-N 3.07Å; H269-L272 PolarHBondContact O-N 2.81Å; L272-Y274 PolarHBondContact O-N 2.94Å; L272-A275 PolarHBondContact O-N 3.44Å; L272-D276 WeakPolarHBondContact O-CB 3.32Å; L272-D276 PolarHBondContact O-N 2.91Å
273	V	86.3	Confident	85.7	Confident	66 Å²	66	48.2 Å²	48.2	40%	0.4	27%	0.266	S	S	.	.	H	α-helix	trans	-60.1	-37.6	177.4	169.1	0	0	0	0	111.1	H269 E271 Y277	H269-V273 VanDerWaalsContact O-CG2 3.3Å; H269-V273 WeakPolarHBondContact O-CG2 3.24Å; H269-V273 PolarHBondContact O-N 3.36Å; E271-V273 PolarHBondContact O-N 3.45Å; V273-Y277 WeakPolarHBondContact O-CB 3.37Å; V273-Y277 PolarHBondContact O-N 2.63Å
274	Y	86.6	Confident	85.9	Confident	33 Å²	33	51.4 Å²	51.4	13%	0.129	28%	0.275	C	S	.	.	H	α-helix	trans	-71.8	-40.4	177.8	-174.4	-109.6	0	0	0	112.3	L270 E271 L272 D276 Y277 M278 C332 R335 C336	L270-Y274 WeakPolarHBondContact O-CB 3.4Å; L270-Y274 PolarHBondContact O-N 3.39Å; E271-Y274 PolarHBondContact O-N 3.43Å; L272-Y274 PolarHBondContact O-N 2.94Å; Y274-D276 VanDerWaalsContact C-N 3.34Å; Y274-D276 PolarHBondContact O-N 2.92Å; Y274-Y277 HydrophobicContact CD2-CD1 4.35Å; Y274-Y277 HydrophobicContact CE2-CD1 4.33Å; Y274-Y277 PolarHBondContact O-N 3.05Å; Y274-M278 HydrophobicContact CD1-CG 4.41Å; Y274-M278 HydrophobicContact CD1-SD 3.8Å; Y274-M278 HydrophobicContact CE1-CG 4.08Å; Y274-M278 HydrophobicContact CE1-SD 3.35Å; Y274-M278 WeakPolarHBondContact CE1-SD 3.1Å; Y274-M278 WeakPolarHBondContact O-CG 3.37Å; Y274-M278 PolarHBondContact O-N 3.31Å; Y274-C332 PolarHBondContact OH-SG 3.35Å; Y274-C332 VanDerWaalsContact OH-SG 3.39Å; Y274-R335 HydrophobicContact CD1-CB 3.77Å; Y274-R335 HydrophobicContact CD1-CG 3.36Å; Y274-R335 HydrophobicContact CD2-CG 4.05Å; Y274-R335 HydrophobicContact CE1-CB 3.65Å; Y274-R335 HydrophobicContact CE1-CG 3.48Å; Y274-R335 VanDerWaalsContact CE1-CG 3.48Å; Y274-R335 HydrophobicContact CE2-CG 4.18Å; Y274-R335 HydrophobicContact CG-CG 3.66Å; Y274-C336 VanDerWaalsContact CD1-SG 3.52Å
275	A	86.7	Confident	86	Confident	19 Å²	19	57.5 Å²	57.5	16%	0.157	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-39.5	175.3	0	0	0	0	0	112.4	E271 L272 M278 S279	E271-A275 PolarHBondContact O-N 3.1Å; L272-A275 PolarHBondContact O-N 3.44Å; A275-M278 PolarHBondContact O-N 2.9Å; A275-S279 WeakPolarHBondContact O-CB 2.85Å; A275-S279 PolarHBondContact O-N 3.29Å; A275-S279 PolarHBondContact O-OG 3.48Å
276	D	86.5	Confident	85.9	Confident	119 Å²	119	62.2 Å²	62.2	64%	0.636	32%	0.319	S	S	*	.	H	α-helix	trans	-65	-46	174.7	-171.7	57.5	0	0	0	111.3	L272 Y274 M278 S279 H280	L272-D276 WeakPolarHBondContact O-CB 3.32Å; L272-D276 PolarHBondContact O-N 2.91Å; Y274-D276 VanDerWaalsContact C-N 3.34Å; Y274-D276 PolarHBondContact O-N 2.92Å; D276-M278 PolarHBondContact O-N 3.48Å; D276-S279 WeakPolarHBondContact O-CB 2.93Å; D276-S279 PolarHBondContact O-N 3.17Å; D276-S279 VanDerWaalsContact O-N 3.15Å; D276-H280 PolarHBondContact O-N 3.43Å
277	Y	87.4	Confident	85.6	Confident	74 Å²	74	70.2 Å²	70.2	29%	0.29	36%	0.356	S	S	.	.	H	α-helix	trans	-56.7	-47.1	173.6	167.9	-101	0	0	0	112.3	T162 V273 Y274 S279 H280 V281 Y304	T162-Y277 PolarHBondContact OG1-OH 3.02Å; V273-Y277 WeakPolarHBondContact O-CB 3.37Å; V273-Y277 PolarHBondContact O-N 2.63Å; Y274-Y277 HydrophobicContact CD2-CD1 4.35Å; Y274-Y277 HydrophobicContact CE2-CD1 4.33Å; Y274-Y277 PolarHBondContact O-N 3.05Å; Y277-S279 VanDerWaalsContact C-N 3.31Å; Y277-S279 PolarHBondContact O-N 3.26Å; Y277-H280 WeakPolarHBondContact O-CB 3.35Å; Y277-H280 PolarHBondContact O-N 2.92Å; Y277-V281 HydrophobicContact CD1-CG2 4.44Å; Y277-V281 HydrophobicContact CD2-CG2 4.16Å; Y277-V281 HydrophobicContact CE1-CG2 3.98Å; Y277-V281 HydrophobicContact CE2-CG2 3.67Å; Y277-V281 WeakPolarHBondContact O-CG2 3.38Å; Y277-V281 PolarHBondContact O-N 3.4Å; Y277-Y304 HydrophobicContact CD1-CE2 4.49Å; Y277-Y304 AromaticContact CE1-CE2 3.9Å; Y277-Y304 HydrophobicContact CE1-CE2 3.9Å
278	M	85.4	Confident	85.5	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.9	-43.6	176.4	-77.4	178.4	67.3	0	0	111.9	Y274 A275 D276 H280 V281 V282 L300 V301 Y304 C336	Y274-M278 HydrophobicContact CD1-CG 4.41Å; Y274-M278 HydrophobicContact CD1-SD 3.8Å; Y274-M278 HydrophobicContact CE1-CG 4.08Å; Y274-M278 HydrophobicContact CE1-SD 3.35Å; Y274-M278 WeakPolarHBondContact CE1-SD 3.1Å; Y274-M278 WeakPolarHBondContact O-CG 3.37Å; Y274-M278 PolarHBondContact O-N 3.31Å; A275-M278 PolarHBondContact O-N 2.9Å; D276-M278 PolarHBondContact O-N 3.48Å; M278-H280 VanDerWaalsContact C-N 3.28Å; M278-H280 PolarHBondContact O-N 2.97Å; M278-V281 PolarHBondContact O-N 3.24Å; M278-V282 WeakPolarHBondContact O-CB 3.24Å; M278-V282 VanDerWaalsContact O-CG2 3.29Å; M278-V282 WeakPolarHBondContact O-CG2 3.48Å; M278-V282 PolarHBondContact O-N 3.31Å; M278-L300 HydrophobicContact CB-CD2 4.16Å; M278-L300 HydrophobicContact CB-CG 4.27Å; M278-L300 HydrophobicContact CE-CG 4.17Å; M278-V301 HydrophobicContact CE-CB 4Å; M278-V301 HydrophobicContact CE-CG2 3.51Å; M278-Y304 HydrophobicContact CB-CD2 4.17Å; M278-Y304 HydrophobicContact CB-CG 4.33Å; M278-Y304 HydrophobicContact CE-CD1 3.76Å; M278-Y304 HydrophobicContact CE-CG 3.72Å; M278-Y304 HydrophobicContact CG-CD1 4.08Å; M278-Y304 HydrophobicContact CG-CD2 3.85Å; M278-Y304 HydrophobicContact CG-CE1 4.31Å; M278-Y304 HydrophobicContact CG-CE2 4.1Å; M278-Y304 HydrophobicContact CG-CG 3.84Å; M278-Y304 HydrophobicContact SD-CD1 4.35Å; M278-Y304 HydrophobicContact SD-CG 4.47Å; M278-C336 PolarHBondContact SD-SG 3.2Å
279	S	86.7	Confident	85	Confident	51 Å²	51	68.2 Å²	68.2	36%	0.357	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-41.8	176.4	-58.7	0	0	0	0	111.1	A275 D276 Y277 S283 L300	A275-S279 WeakPolarHBondContact O-CB 2.85Å; A275-S279 PolarHBondContact O-N 3.29Å; A275-S279 PolarHBondContact O-OG 3.48Å; D276-S279 WeakPolarHBondContact O-CB 2.93Å; D276-S279 PolarHBondContact O-N 3.17Å; D276-S279 VanDerWaalsContact O-N 3.15Å; Y277-S279 VanDerWaalsContact C-N 3.31Å; Y277-S279 PolarHBondContact O-N 3.26Å; S279-S283 VanDerWaalsContact O-CB 3.31Å; S279-S283 WeakPolarHBondContact O-CB 3.27Å; S279-S283 PolarHBondContact O-N 2.84Å; S279-S283 PolarHBondContact O-OG 3.46Å; S279-L300 WeakPolarHBondContact OG-CD2 3.32Å
280	H	86.5	Confident	84.6	Confident	98 Å²	98	74.8 Å²	74.8	45%	0.454	38%	0.375	S	S	.	.	H	α-helix	trans	-63.7	-51.5	176.6	-167.4	61.1	0	0	0	112	D276 Y277 M278 V282 S283 E284	D276-H280 PolarHBondContact O-N 3.43Å; Y277-H280 WeakPolarHBondContact O-CB 3.35Å; Y277-H280 PolarHBondContact O-N 2.92Å; M278-H280 VanDerWaalsContact C-N 3.28Å; M278-H280 PolarHBondContact O-N 2.97Å; H280-V282 VanDerWaalsContact C-N 3.28Å; H280-V282 PolarHBondContact O-N 3Å; H280-S283 WeakPolarHBondContact CA-OG 3.37Å; H280-S283 WeakPolarHBondContact O-CA 3.35Å; H280-S283 WeakPolarHBondContact O-CB 3.49Å; H280-S283 PolarHBondContact O-N 3.43Å; H280-S283 PolarHBondContact O-OG 2.69Å; H280-E284 IonicContact NE2-OE1 3.45Å; H280-E284 PolarHBondContact NE2-OE1 2.68Å; H280-E284 PolarHBondContact O-N 3.48Å
281	V	85.8	Confident	84.1	Confident	17 Å²	17	76.1 Å²	76.1	10%	0.103	38%	0.382	C	S	.	.	H	α-helix	trans	-58.4	-40.1	178.4	172.3	0	0	0	0	112	Y277 M278 R285 Y304 V307 I308	Y277-V281 HydrophobicContact CD1-CG2 4.44Å; Y277-V281 HydrophobicContact CD2-CG2 4.16Å; Y277-V281 HydrophobicContact CE1-CG2 3.98Å; Y277-V281 HydrophobicContact CE2-CG2 3.67Å; Y277-V281 WeakPolarHBondContact O-CG2 3.38Å; Y277-V281 PolarHBondContact O-N 3.4Å; M278-V281 PolarHBondContact O-N 3.24Å; V281-R285 PolarHBondContact O-N 3.37Å; V281-Y304 HydrophobicContact CB-CD2 4.06Å; V281-Y304 HydrophobicContact CB-CE2 4.06Å; V281-Y304 HydrophobicContact CG1-CD2 3.9Å; V281-Y304 HydrophobicContact CG1-CE2 3.89Å; V281-Y304 HydrophobicContact CG2-CE2 4.24Å; V281-V307 HydrophobicContact CG1-CB 4.41Å; V281-V307 HydrophobicContact CG1-CG1 3.82Å; V281-I308 HydrophobicContact CG1-CG2 4.19Å
282	V	86	Confident	83.4	Confident	4 Å²	4	77 Å²	77	2%	0.024	40%	0.4	C	S	.	.	H	α-helix	trans	-66.7	-41.3	175.4	167.5	0	0	0	0	111.1	M278 H280 E284 R285 L286 A289 L291 L300 A303	M278-V282 WeakPolarHBondContact O-CB 3.24Å; M278-V282 VanDerWaalsContact O-CG2 3.29Å; M278-V282 WeakPolarHBondContact O-CG2 3.48Å; M278-V282 PolarHBondContact O-N 3.31Å; H280-V282 VanDerWaalsContact C-N 3.28Å; H280-V282 PolarHBondContact O-N 3Å; V282-E284 VanDerWaalsContact C-N 3.33Å; V282-E284 PolarHBondContact O-N 2.99Å; V282-R285 CarbonylContact O-C 3.6Å; V282-R285 PolarHBondContact O-N 3.08Å; V282-L286 HydrophobicContact CG1-CD2 4.38Å; V282-L286 WeakPolarHBondContact O-CD2 3.32Å; V282-L286 PolarHBondContact O-N 2.92Å; V282-A289 HydrophobicContact CB-CB 4.47Å; V282-A289 HydrophobicContact CG1-CB 3.83Å; V282-A289 HydrophobicContact CG2-CB 4.48Å; V282-L291 HydrophobicContact CG1-CB 4.46Å; V282-L291 HydrophobicContact CG1-CD1 4.29Å; V282-L291 HydrophobicContact CG1-CD2 4.41Å; V282-L300 HydrophobicContact CB-CD1 4.26Å; V282-L300 HydrophobicContact CG2-CD1 4.01Å; V282-A303 HydrophobicContact CG1-CB 4.06Å; V282-A303 HydrophobicContact CG2-CB 3.95Å
283	S	85.5	Confident	82.5	Confident	63 Å²	63	75.3 Å²	75.3	44%	0.441	41%	0.412	S	S	.	.	H	α-helix	trans	-66.2	-31.6	179.3	76.2	0	0	0	0	113.6	S279 H280 R285	S279-S283 VanDerWaalsContact O-CB 3.31Å; S279-S283 WeakPolarHBondContact O-CB 3.27Å; S279-S283 PolarHBondContact O-N 2.84Å; S279-S283 PolarHBondContact O-OG 3.46Å; H280-S283 WeakPolarHBondContact CA-OG 3.37Å; H280-S283 WeakPolarHBondContact O-CA 3.35Å; H280-S283 WeakPolarHBondContact O-CB 3.49Å; H280-S283 PolarHBondContact O-N 3.43Å; H280-S283 PolarHBondContact O-OG 2.69Å; S283-R285 VanDerWaalsContact C-N 3.32Å
284	E	85	Confident	81.7	Confident	126 Å²	126	79.3 Å²	79.3	59%	0.589	43%	0.428	S	S	*	.	H	α-helix	trans	-71	-27.9	176.1	-71.3	-170.2	150.4	0	0	112.7	H280 V282	H280-E284 IonicContact NE2-OE1 3.45Å; H280-E284 PolarHBondContact NE2-OE1 2.68Å; H280-E284 PolarHBondContact O-N 3.48Å; V282-E284 VanDerWaalsContact C-N 3.33Å; V282-E284 PolarHBondContact O-N 2.99Å
285	R	83.8	Confident	81.1	Confident	148 Å²	148	84 Å²	84	56%	0.558	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.1	49.8	-173.3	-64.1	-179.2	-176	179.7	5.8	112.4	V281 V282 S283 E287 V288 A289 V307	V281-R285 PolarHBondContact O-N 3.37Å; V282-R285 CarbonylContact O-C 3.6Å; V282-R285 PolarHBondContact O-N 3.08Å; S283-R285 VanDerWaalsContact C-N 3.32Å; R285-E287 VanDerWaalsContact C-N 3.26Å; R285-E287 PolarHBondContact O-N 3.46Å; R285-V288 PolarHBondContact O-N 3.03Å; R285-V288 VanDerWaalsContact O-N 3.12Å; R285-A289 WeakPolarHBondContact O-CB 3.42Å; R285-A289 PolarHBondContact O-N 3.46Å; R285-V307 HydrophobicContact CB-CG1 4.08Å; R285-V307 HydrophobicContact CB-CG2 4.09Å; R285-V307 HydrophobicContact CG-CG1 4.4Å
286	L	82.6	Confident	80.9	Confident	104 Å²	104	85.2 Å²	85.2	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-54.9	-38	-176.6	-71.3	170.2	0	0	0	113.8	V282 V288 A289 K290	V282-L286 HydrophobicContact CG1-CD2 4.38Å; V282-L286 WeakPolarHBondContact O-CD2 3.32Å; V282-L286 PolarHBondContact O-N 2.92Å; L286-V288 VanDerWaalsContact C-N 3.31Å; L286-V288 PolarHBondContact O-N 2.91Å; L286-A289 PolarHBondContact O-N 3.36Å; L286-K290 PolarHBondContact O-N 3.41Å
287	E	80.1	Confident	80.8	Confident	184 Å²	184	81.8 Å²	81.8	86%	0.86	46%	0.458	S	S	*	.	H	α-helix	trans	-61.5	-39.4	-179.6	-62.3	-174.5	176.2	0	0	112.5	R285	R285-E287 VanDerWaalsContact C-N 3.26Å; R285-E287 PolarHBondContact O-N 3.46Å
288	V	80.3	Confident	80.7	Confident	82 Å²	82	80.1 Å²	80.1	50%	0.497	46%	0.457	S	S	.	.	H	α-helix	trans	-81.5	-38.6	179.5	-177.9	0	0	0	0	110.5	R285 L286 K290 V307	R285-V288 PolarHBondContact O-N 3.03Å; R285-V288 VanDerWaalsContact O-N 3.12Å; L286-V288 VanDerWaalsContact C-N 3.31Å; L286-V288 PolarHBondContact O-N 2.91Å; V288-K290 VanDerWaalsContact C-N 3.27Å; V288-K290 PolarHBondContact O-N 2.92Å; V288-V307 HydrophobicContact CB-CG2 4.45Å; V288-V307 HydrophobicContact CG1-CG2 4.47Å
289	A	76.2	Confident	80.7	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	47%	0.466	C	S	.	.	H	α-helix	trans	-63.1	-32.6	-174.8	0	0	0	0	0	113	V282 R285 L286 L291 A303 N306 V307	V282-A289 HydrophobicContact CB-CB 4.47Å; V282-A289 HydrophobicContact CG1-CB 3.83Å; V282-A289 HydrophobicContact CG2-CB 4.48Å; R285-A289 WeakPolarHBondContact O-CB 3.42Å; R285-A289 PolarHBondContact O-N 3.46Å; L286-A289 PolarHBondContact O-N 3.36Å; A289-L291 PolarHBondContact O-N 3.4Å; A289-A303 HydrophobicContact CB-CB 4.12Å; A289-A303 WeakPolarHBondContact O-CA 3.41Å; A289-N306 PolarHBondContact O-ND2 3.47Å; A289-V307 HydrophobicContact CB-CG2 3.61Å
290	K	79.1	Confident	80.7	Confident	168 Å²	168	80 Å²	80	73%	0.73	46%	0.455	S	S	*	.			trans	50	45.9	-177.9	-63.2	177.8	-179.1	174	0	112	L286 V288 G292	L286-K290 PolarHBondContact O-N 3.41Å; V288-K290 VanDerWaalsContact C-N 3.27Å; V288-K290 PolarHBondContact O-N 2.92Å; K290-G292 PolarHBondContact O-N 3.14Å; K290-G292 VanDerWaalsContact O-N 3.08Å
291	L	75.8	Confident	80.8	Confident	87 Å²	87	75.4 Å²	75.4	46%	0.455	43%	0.433	S	S	.	.			trans	-58.9	115.3	178.5	-168.3	74.2	0	0	0	109	V282 A289 A303	V282-L291 HydrophobicContact CG1-CB 4.46Å; V282-L291 HydrophobicContact CG1-CD1 4.29Å; V282-L291 HydrophobicContact CG1-CD2 4.41Å; A289-L291 PolarHBondContact O-N 3.4Å; L291-A303 HydrophobicContact CB-CB 4.21Å; L291-A303 HydrophobicContact CD1-CB 3.4Å; L291-A303 HydrophobicContact CG-CB 4.42Å
292	G	70.9	Confident	80.8	Confident	51 Å²	51	76.1 Å²	76.1	53%	0.526	44%	0.436	S	S	.	.			trans	-72.4	177.1	177.9	0	0	0	0	0	112.7	K290 M294	K290-G292 PolarHBondContact O-N 3.14Å; K290-G292 VanDerWaalsContact O-N 3.08Å; G292-M294 VanDerWaalsContact C-N 3.3Å; G292-M294 PolarHBondContact O-N 2.95Å
293	G	70.4	Confident	80.8	Confident	87 Å²	87	76 Å²	76	90%	0.897	44%	0.435	S	S	*	.	S	Bend	trans	-79.3	0.8	-179.5	0	0	0	0	0	116.1	P295	G293-P295 WeakPolarHBondContact O-CD 3.29Å
294	M	67.9	Low	80.8	Confident	150 Å²	150	73.9 Å²	73.9	74%	0.739	42%	0.418	S	S	*	.			trans	-91.4	118.7	179.5	-68.3	-158.4	-61.9	0	0	110.9	G292 S299	G292-M294 VanDerWaalsContact C-N 3.3Å; G292-M294 PolarHBondContact O-N 2.95Å; M294-S299 VanDerWaalsContact O-CB 3.31Å; M294-S299 WeakPolarHBondContact O-CB 3.19Å; M294-S299 PolarHBondContact O-OG 3.4Å
295	P	74.4	Confident	80.8	Confident	131 Å²	131	67.9 Å²	67.9	85%	0.851	39%	0.39	S	S	*	.			trans	-69.9	138	172.3	29.8	-33.3	0	0	0	110.2	G293	G293-P295 WeakPolarHBondContact O-CD 3.29Å
296	G	82.1	Confident	80.8	Confident	46 Å²	46	63.6 Å²	63.6	47%	0.474	38%	0.378	S	S	.	.	S	Bend	trans	155.7	165.3	175.3	0	0	0	0	0	113.1	S299 L300	G296-S299 PolarHBondContact N-OG 3.19Å; G296-S299 PolarHBondContact O-OG 3.24Å; G296-L300 PolarHBondContact O-N 3.11Å
297	I	85.2	Confident	80.8	Confident	46 Å²	46	59.4 Å²	59.4	24%	0.236	36%	0.357	C	S	.	.	H	α-helix	trans	-71.1	-36.9	179.4	-70.5	168.5	0	0	0	110.7	S299 L300 V301 C336 D338	I297-S299 PolarHBondContact O-N 3.24Å; I297-L300 PolarHBondContact O-N 3.08Å; I297-V301 HydrophobicContact CG2-CG2 3.97Å; I297-V301 WeakPolarHBondContact O-CB 3.25Å; I297-V301 VanDerWaalsContact O-CG2 3.23Å; I297-V301 WeakPolarHBondContact O-CG2 3.22Å; I297-V301 PolarHBondContact O-N 3.04Å; I297-C336 HydrophobicContact CD1-CB 4.33Å; I297-C336 HydrophobicContact CG2-CB 3.77Å; I297-D338 HydrophobicContact CB-CB 4.07Å; I297-D338 WeakPolarHBondContact CB-OD2 3.08Å; I297-D338 HydrophobicContact CD1-CB 3.52Å; I297-D338 HydrophobicContact CG1-CB 4.36Å; I297-D338 HydrophobicContact CG2-CB 4.01Å
298	C	84.5	Confident	80.8	Confident	39 Å²	39	53.4 Å²	53.4	26%	0.264	33%	0.33	S	S	.	.	H	α-helix	trans	-55.9	-46.7	175	-69.1	0	0	0	0	112.8	V301 H302 A341	C298-V301 PolarHBondContact O-N 3.12Å; C298-H302 PolarHBondContact O-CD2 3Å; C298-H302 PolarHBondContact O-N 3.25Å; C298-A341 VanDerWaalsContact SG-CA 3.57Å; C298-A341 WeakPolarHBondContact SG-CB 3.28Å
299	S	85.9	Confident	80.5	Confident	28 Å²	28	50.2 Å²	50.2	20%	0.196	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-37.8	-179.4	56.5	0	0	0	0	111.6	M294 G296 I297 H302 A303	M294-S299 VanDerWaalsContact O-CB 3.31Å; M294-S299 WeakPolarHBondContact O-CB 3.19Å; M294-S299 PolarHBondContact O-OG 3.4Å; G296-S299 PolarHBondContact N-OG 3.19Å; G296-S299 PolarHBondContact O-OG 3.24Å; I297-S299 PolarHBondContact O-N 3.24Å; S299-H302 PolarHBondContact O-N 2.91Å; S299-A303 WeakPolarHBondContact O-CB 3.47Å; S299-A303 PolarHBondContact O-N 3.18Å
300	L	87.6	Confident	80	Confident	22 Å²	22	55.5 Å²	55.5	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-42.1	172.3	-179.2	64.9	0	0	0	112	M278 S279 V282 G296 I297 A303 Y304	M278-L300 HydrophobicContact CB-CD2 4.16Å; M278-L300 HydrophobicContact CB-CG 4.27Å; M278-L300 HydrophobicContact CE-CG 4.17Å; S279-L300 WeakPolarHBondContact OG-CD2 3.32Å; V282-L300 HydrophobicContact CB-CD1 4.26Å; V282-L300 HydrophobicContact CG2-CD1 4.01Å; G296-L300 PolarHBondContact O-N 3.11Å; I297-L300 PolarHBondContact O-N 3.08Å; L300-A303 PolarHBondContact O-N 3.07Å; L300-Y304 VanDerWaalsContact O-CB 3.25Å; L300-Y304 WeakPolarHBondContact O-CB 3.47Å; L300-Y304 PolarHBondContact O-N 3.27Å
301	V	87.1	Confident	79.4	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.2	-48.6	176	170.4	0	0	0	0	110.9	M278 I297 C298 A303 Y304 L305 V329 C332	M278-V301 HydrophobicContact CE-CB 4Å; M278-V301 HydrophobicContact CE-CG2 3.51Å; I297-V301 HydrophobicContact CG2-CG2 3.97Å; I297-V301 WeakPolarHBondContact O-CB 3.25Å; I297-V301 VanDerWaalsContact O-CG2 3.23Å; I297-V301 WeakPolarHBondContact O-CG2 3.22Å; I297-V301 PolarHBondContact O-N 3.04Å; C298-V301 PolarHBondContact O-N 3.12Å; V301-A303 VanDerWaalsContact C-N 3.34Å; V301-A303 PolarHBondContact O-N 2.82Å; V301-Y304 PolarHBondContact O-N 3.29Å; V301-L305 HydrophobicContact CG1-CD1 3.95Å; V301-L305 HydrophobicContact CG1-CG 4.19Å; V301-L305 WeakPolarHBondContact O-CB 3.31Å; V301-L305 VanDerWaalsContact O-CG 3.28Å; V301-L305 WeakPolarHBondContact O-CG 3.5Å; V301-L305 PolarHBondContact O-N 3.46Å; V301-V329 HydrophobicContact CG1-CG1 4.22Å; V301-C332 HydrophobicContact CB-CB 4.34Å; V301-C332 HydrophobicContact CG1-CB 3.54Å; V301-C332 HydrophobicContact CG2-CB 3.82Å
302	H	86.8	Confident	78.6	Confident	33 Å²	33	53.7 Å²	53.7	15%	0.153	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-44	176.2	-71.6	-54.4	0	0	0	112.2	C298 S299 Y304 L305 N306 H322 H324	C298-H302 PolarHBondContact O-CD2 3Å; C298-H302 PolarHBondContact O-N 3.25Å; S299-H302 PolarHBondContact O-N 2.91Å; H302-Y304 VanDerWaalsContact C-N 3.31Å; H302-Y304 PolarHBondContact O-N 2.92Å; H302-L305 PolarHBondContact O-N 3.28Å; H302-N306 PolarHBondContact O-N 2.89Å; H302-N306 PolarHBondContact O-ND2 3.36Å; H302-H322 AromaticContact CE1-CD2 3.83Å; H302-H322 AromaticContact NE2-CD2 3.54Å; H302-H324 AromaticContact ND1-CD2 3.52Å
303	A	85.9	Confident	78.3	Confident	2 Å²	2	53 Å²	53	2%	0.017	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-39	177	0	0	0	0	0	112.5	V282 A289 L291 S299 L300 V301 N306 V307	V282-A303 HydrophobicContact CG1-CB 4.06Å; V282-A303 HydrophobicContact CG2-CB 3.95Å; A289-A303 HydrophobicContact CB-CB 4.12Å; A289-A303 WeakPolarHBondContact O-CA 3.41Å; L291-A303 HydrophobicContact CB-CB 4.21Å; L291-A303 HydrophobicContact CD1-CB 3.4Å; L291-A303 HydrophobicContact CG-CB 4.42Å; S299-A303 WeakPolarHBondContact O-CB 3.47Å; S299-A303 PolarHBondContact O-N 3.18Å; L300-A303 PolarHBondContact O-N 3.07Å; V301-A303 VanDerWaalsContact C-N 3.34Å; V301-A303 PolarHBondContact O-N 2.82Å; A303-N306 WeakPolarHBondContact O-CB 3.2Å; A303-V307 WeakPolarHBondContact O-CG2 3.42Å; A303-V307 PolarHBondContact O-N 3.48Å
304	Y	85.8	Confident	78	Confident	18 Å²	18	54.4 Å²	54.4	7%	0.071	33%	0.327	C	S	.	.	H	α-helix	trans	-66.4	-47.7	175.3	173.9	-105.8	0	0	0	111.7	Y277 M278 V281 L300 V301 H302 N306 V307 I308	Y277-Y304 HydrophobicContact CD1-CE2 4.49Å; Y277-Y304 AromaticContact CE1-CE2 3.9Å; Y277-Y304 HydrophobicContact CE1-CE2 3.9Å; M278-Y304 HydrophobicContact CB-CD2 4.17Å; M278-Y304 HydrophobicContact CB-CG 4.33Å; M278-Y304 HydrophobicContact CE-CD1 3.76Å; M278-Y304 HydrophobicContact CE-CG 3.72Å; M278-Y304 HydrophobicContact CG-CD1 4.08Å; M278-Y304 HydrophobicContact CG-CD2 3.85Å; M278-Y304 HydrophobicContact CG-CE1 4.31Å; M278-Y304 HydrophobicContact CG-CE2 4.1Å; M278-Y304 HydrophobicContact CG-CG 3.84Å; M278-Y304 HydrophobicContact SD-CD1 4.35Å; M278-Y304 HydrophobicContact SD-CG 4.47Å; V281-Y304 HydrophobicContact CB-CD2 4.06Å; V281-Y304 HydrophobicContact CB-CE2 4.06Å; V281-Y304 HydrophobicContact CG1-CD2 3.9Å; V281-Y304 HydrophobicContact CG1-CE2 3.89Å; V281-Y304 HydrophobicContact CG2-CE2 4.24Å; L300-Y304 VanDerWaalsContact O-CB 3.25Å; L300-Y304 WeakPolarHBondContact O-CB 3.47Å; L300-Y304 PolarHBondContact O-N 3.27Å; V301-Y304 PolarHBondContact O-N 3.29Å; H302-Y304 VanDerWaalsContact C-N 3.31Å; H302-Y304 PolarHBondContact O-N 2.92Å; Y304-N306 VanDerWaalsContact C-N 3.28Å; Y304-N306 PolarHBondContact O-N 3.42Å; Y304-V307 WeakPolarHBondContact O-CB 3.18Å; Y304-V307 PolarHBondContact O-N 2.97Å; Y304-I308 HydrophobicContact CD1-CD1 4.06Å; Y304-I308 HydrophobicContact CD1-CG1 4.05Å; Y304-I308 HydrophobicContact CD2-CG2 4.03Å; Y304-I308 HydrophobicContact CE1-CD1 3.39Å; Y304-I308 HydrophobicContact CE1-CG1 3.77Å; Y304-I308 HydrophobicContact CE1-CG2 4.27Å; Y304-I308 HydrophobicContact CE2-CG1 4.48Å; Y304-I308 HydrophobicContact CE2-CG2 3.5Å; Y304-I308 VanDerWaalsContact O-CG1 3.28Å; Y304-I308 WeakPolarHBondContact O-CG1 3.16Å; Y304-I308 PolarHBondContact O-N 3.17Å
305	L	85	Confident	77.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-32.5	178.6	-67.3	-177.7	0	0	0	112.5	V301 H302 V307 I308 M309 H324 A328 V329	V301-L305 HydrophobicContact CG1-CD1 3.95Å; V301-L305 HydrophobicContact CG1-CG 4.19Å; V301-L305 WeakPolarHBondContact O-CB 3.31Å; V301-L305 VanDerWaalsContact O-CG 3.28Å; V301-L305 WeakPolarHBondContact O-CG 3.5Å; V301-L305 PolarHBondContact O-N 3.46Å; H302-L305 PolarHBondContact O-N 3.28Å; L305-V307 VanDerWaalsContact C-N 3.26Å; L305-V307 PolarHBondContact O-N 2.88Å; L305-I308 HydrophobicContact CD2-CD1 3.91Å; L305-I308 HydrophobicContact CD2-CG1 4.2Å; L305-M309 HydrophobicContact CB-CE 4.34Å; L305-M309 HydrophobicContact CD1-CE 4.35Å; L305-M309 HydrophobicContact CD2-CE 3.91Å; L305-M309 HydrophobicContact CD2-CG 4.34Å; L305-M309 HydrophobicContact CD2-SD 4.33Å; L305-M309 HydrophobicContact CG-CE 4.41Å; L305-M309 WeakPolarHBondContact O-CB 3.32Å; L305-M309 PolarHBondContact O-N 3.49Å; L305-H324 HydrophobicContact CD1-CB 4.05Å; L305-A328 HydrophobicContact CD1-CB 4.22Å; L305-A328 HydrophobicContact CD2-CB 4.4Å; L305-V329 HydrophobicContact CD1-CB 4.48Å; L305-V329 HydrophobicContact CD1-CG2 3.69Å
306	N	83.1	Confident	77.5	Confident	57 Å²	57	46.2 Å²	46.2	31%	0.305	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-35.8	170.4	-79	-31.9	0	0	0	112.7	A289 H302 A303 Y304 H324	A289-N306 PolarHBondContact O-ND2 3.47Å; H302-N306 PolarHBondContact O-N 2.89Å; H302-N306 PolarHBondContact O-ND2 3.36Å; A303-N306 WeakPolarHBondContact O-CB 3.2Å; Y304-N306 VanDerWaalsContact C-N 3.28Å; Y304-N306 PolarHBondContact O-N 3.42Å; N306-H324 PolarHBondContact OD1-CE1 2.9Å; N306-H324 PolarHBondContact OD1-NE2 3.49Å; N306-H324 VanDerWaalsContact OD1-NE2 3.14Å
307	V	82.2	Confident	76.9	Confident	17 Å²	17	47.1 Å²	47.1	10%	0.103	28%	0.277	C	S	.	.	H	α-helix	trans	-80.7	-44.5	-178.9	175.3	0	0	0	0	111.6	V281 R285 V288 A289 A303 Y304 L305	V281-V307 HydrophobicContact CG1-CB 4.41Å; V281-V307 HydrophobicContact CG1-CG1 3.82Å; R285-V307 HydrophobicContact CB-CG1 4.08Å; R285-V307 HydrophobicContact CB-CG2 4.09Å; R285-V307 HydrophobicContact CG-CG1 4.4Å; V288-V307 HydrophobicContact CB-CG2 4.45Å; V288-V307 HydrophobicContact CG1-CG2 4.47Å; A289-V307 HydrophobicContact CB-CG2 3.61Å; A303-V307 WeakPolarHBondContact O-CG2 3.42Å; A303-V307 PolarHBondContact O-N 3.48Å; Y304-V307 WeakPolarHBondContact O-CB 3.18Å; Y304-V307 PolarHBondContact O-N 2.97Å; L305-V307 VanDerWaalsContact C-N 3.26Å; L305-V307 PolarHBondContact O-N 2.88Å
308	I	80.5	Confident	75.9	Confident	58 Å²	58	52.7 Å²	52.7	30%	0.297	31%	0.308	S	S	.	.	H	α-helix	trans	-89	-26.3	-170	62.1	139.6	0	0	0	114.1	V281 Y304 L305 P310	V281-I308 HydrophobicContact CG1-CG2 4.19Å; Y304-I308 HydrophobicContact CD1-CD1 4.06Å; Y304-I308 HydrophobicContact CD1-CG1 4.05Å; Y304-I308 HydrophobicContact CD2-CG2 4.03Å; Y304-I308 HydrophobicContact CE1-CD1 3.39Å; Y304-I308 HydrophobicContact CE1-CG1 3.77Å; Y304-I308 HydrophobicContact CE1-CG2 4.27Å; Y304-I308 HydrophobicContact CE2-CG1 4.48Å; Y304-I308 HydrophobicContact CE2-CG2 3.5Å; Y304-I308 VanDerWaalsContact O-CG1 3.28Å; Y304-I308 WeakPolarHBondContact O-CG1 3.16Å; Y304-I308 PolarHBondContact O-N 3.17Å; L305-I308 HydrophobicContact CD2-CD1 3.91Å; L305-I308 HydrophobicContact CD2-CG1 4.2Å; I308-P310 WeakPolarHBondContact O-CD 3.39Å
309	M	74.4	Confident	75.5	Confident	15 Å²	15	54 Å²	54	7%	0.074	31%	0.314	C	S	.	.			trans	-115.2	98.6	-176.1	-55	-155.3	-58	0	0	111.1	L305 V311 Y313 P325 A328 Y394	L305-M309 HydrophobicContact CB-CE 4.34Å; L305-M309 HydrophobicContact CD1-CE 4.35Å; L305-M309 HydrophobicContact CD2-CE 3.91Å; L305-M309 HydrophobicContact CD2-CG 4.34Å; L305-M309 HydrophobicContact CD2-SD 4.33Å; L305-M309 HydrophobicContact CG-CE 4.41Å; L305-M309 WeakPolarHBondContact O-CB 3.32Å; L305-M309 PolarHBondContact O-N 3.49Å; M309-V311 PolarHBondContact O-N 3.02Å; M309-Y313 HydrophobicContact CB-CD1 4.3Å; M309-Y313 HydrophobicContact CB-CE1 3.43Å; M309-Y313 VanDerWaalsContact CB-CE1 3.43Å; M309-Y313 HydrophobicContact CE-CE1 4.08Å; M309-Y313 WeakPolarHBondContact O-CE1 3.47Å; M309-Y313 PolarHBondContact O-OH 3.36Å; M309-Y313 VanDerWaalsContact O-OH 3.09Å; M309-P325 HydrophobicContact CE-CG 4.14Å; M309-A328 HydrophobicContact CE-CB 3.88Å; M309-A328 HydrophobicContact SD-CB 4.39Å; M309-Y394 HydrophobicContact SD-CE2 4.23Å
310	P	65.5	Low	75.1	Confident	110 Å²	110	57.3 Å²	57.3	71%	0.714	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-67	133	172.3	26.6	-31.5	0	0	0	110.7	I308 Y313	I308-P310 WeakPolarHBondContact O-CD 3.39Å; P310-Y313 WeakPolarHBondContact O-CE1 3.29Å
311	V	65.8	Low	74.5	Confident	110 Å²	110	56.7 Å²	56.7	67%	0.667	33%	0.326	S	S	*	.	S	Bend	trans	-75.4	140.9	173.7	-178.3	0	0	0	0	108.9	M309 Y313	M309-V311 PolarHBondContact O-N 3.02Å; V311-Y313 HydrophobicContact CG2-CE1 4.35Å; V311-Y313 HydrophobicContact CG2-CE2 3.92Å; V311-Y313 WeakPolarHBondContact CG2-OH 3.49Å
312	P	59.2	Low	73.9	Confident	107 Å²	107	63.6 Å²	63.6	70%	0.695	36%	0.358	S	S	*	.	P	Polyproline II helix	cis	-87.6	163.7	5	34.5	-34.1	0	0	0	114.4	P314	P312-P314 VanDerWaalsContact C-CD 3.42Å; P312-P314 WeakPolarHBondContact O-CD 3.38Å
313	Y	65.3	Low	73.4	Confident	38 Å²	38	64 Å²	64	15%	0.149	37%	0.372	C	S	.	.			trans	-104.7	75.1	-174.1	-54.9	-55.3	0	0	0	112.6	M309 P310 V311 G315 L320 G323 H324 P325	M309-Y313 HydrophobicContact CB-CD1 4.3Å; M309-Y313 HydrophobicContact CB-CE1 3.43Å; M309-Y313 VanDerWaalsContact CB-CE1 3.43Å; M309-Y313 HydrophobicContact CE-CE1 4.08Å; M309-Y313 WeakPolarHBondContact O-CE1 3.47Å; M309-Y313 PolarHBondContact O-OH 3.36Å; M309-Y313 VanDerWaalsContact O-OH 3.09Å; P310-Y313 WeakPolarHBondContact O-CE1 3.29Å; V311-Y313 HydrophobicContact CG2-CE1 4.35Å; V311-Y313 HydrophobicContact CG2-CE2 3.92Å; V311-Y313 WeakPolarHBondContact CG2-OH 3.49Å; Y313-G315 PolarHBondContact O-N 3.23Å; Y313-L320 HydrophobicContact CD2-CD2 4.36Å; Y313-G323 VanDerWaalsContact CE2-O 3.28Å; Y313-G323 WeakPolarHBondContact CE2-O 3.25Å; Y313-H324 PolarHBondContact OH-ND1 2.87Å; Y313-H324 VanDerWaalsContact OH-ND1 3.12Å; Y313-P325 HydrophobicContact CD2-CG 3.86Å; Y313-P325 HydrophobicContact CE2-CG 4.36Å; Y313-P325 HydrophobicContact CG-CG 3.93Å
314	P	62.7	Low	73.2	Confident	115 Å²	115	64.2 Å²	64.2	75%	0.747	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	125	178.2	27.6	-33.3	0	0	0	110.8	P312	P312-P314 VanDerWaalsContact C-CD 3.42Å; P312-P314 WeakPolarHBondContact O-CD 3.38Å
315	G	63.9	Low	73.1	Confident	46 Å²	46	63.3 Å²	63.3	47%	0.474	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.3	-5.6	171.2	0	0	0	0	0	116.8	Y313 S391	Y313-G315 PolarHBondContact O-N 3.23Å; G315-S391 WeakPolarHBondContact O-CB 3.49Å; G315-S391 PolarHBondContact O-OG 3.45Å
316	Y	69.6	Low	73.2	Confident	64 Å²	64	63.5 Å²	63.5	25%	0.251	37%	0.37	S	S	.	.	S	Bend	trans	-87.5	159.6	175.4	-61.9	-88.4	0	0	0	111.6	P325 P393 Y394	Y316-P325 HydrophobicContact CD1-CB 4.12Å; Y316-P325 HydrophobicContact CD1-CG 4.14Å; Y316-P325 HydrophobicContact CD2-CG 4.35Å; Y316-P325 HydrophobicContact CG-CB 4.16Å; Y316-P325 HydrophobicContact CG-CG 3.88Å; Y316-P393 HydrophobicContact CE1-CG 4.07Å; Y316-Y394 HydrophobicContact CD1-CD2 4.22Å; Y316-Y394 AromaticContact CE1-CD2 3.62Å; Y316-Y394 HydrophobicContact CE1-CD2 3.62Å; Y316-Y394 AromaticContact CE1-CE2 3.65Å; Y316-Y394 HydrophobicContact CE1-CE2 3.65Å
317	E	68.8	Low	73.3	Confident	64 Å²	64	61.1 Å²	61.1	30%	0.299	36%	0.357	S	S	.	.			trans	-67.5	143.4	175.4	-68.6	-171.5	161.6	0	0	111	V319 W327 D392 K395	E317-V319 PolarHBondContact O-N 3.49Å; E317-W327 PolarHBondContact OE2-NE1 3.33Å; E317-D392 HydrophobicContact CG-CB 4.13Å; E317-K395 WeakPolarHBondContact OE1-CD 3.47Å; E317-K395 IonicContact OE1-NZ 3.85Å; E317-K395 PolarHBondContact OE1-NZ 3.16Å; E317-K395 WeakPolarHBondContact OE2-CD 3.28Å; E317-K395 IonicContact OE2-NZ 3.08Å; E317-K395 PolarHBondContact OE2-NZ 3.1Å
318	D	64.3	Low	73.4	Confident	163 Å²	163	60.3 Å²	60.3	87%	0.872	35%	0.352	S	S	*	.	S	Bend	trans	-62.5	-7.1	-167.3	-66.5	-30.6	0	0	0	115.8	L320	D318-L320 PolarHBondContact O-N 2.84Å
319	V	75.9	Confident	73.7	Confident	66 Å²	66	57.6 Å²	57.6	40%	0.4	34%	0.338	S	S	.	.			trans	-84.2	114.8	-177.4	-164	0	0	0	0	109.3	E317 V326 A349	E317-V319 PolarHBondContact O-N 3.49Å; V319-V326 HydrophobicContact CB-CG2 3.72Å; V319-V326 HydrophobicContact CG1-CG2 3.49Å; V319-V326 VanDerWaalsContact CG1-CG2 3.49Å; V319-V326 WeakPolarHBondContact O-CG2 3.24Å; V319-V326 PolarHBondContact O-N 3.11Å; V319-V326 VanDerWaalsContact O-N 3.08Å; V319-A349 HydrophobicContact CG1-CB 4.21Å
320	L	78.6	Confident	74.2	Confident	99 Å²	99	56.9 Å²	56.9	52%	0.518	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	131	179.4	-60.6	174.7	0	0	0	110.9	Y313 D318 H324 P325	Y313-L320 HydrophobicContact CD2-CD2 4.36Å; D318-L320 PolarHBondContact O-N 2.84Å; L320-H324 CarbonylContact C-O 3.55Å; L320-H324 WeakPolarHBondContact CA-O 3.47Å; L320-P325 HydrophobicContact CD2-CG 4.34Å
321	I	74	Confident	75.1	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.041	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.3	168	-66.7	160.1	0	0	0	108	G323 H324 V326 A345 D348 A349	I321-G323 PolarHBondContact O-N 2.88Å; I321-H324 PolarHBondContact N-O 2.85Å; I321-H324 PolarHBondContact O-N 3.34Å; I321-V326 HydrophobicContact CB-CG2 4.47Å; I321-V326 HydrophobicContact CD1-CB 3.98Å; I321-V326 HydrophobicContact CD1-CG1 3.82Å; I321-V326 HydrophobicContact CD1-CG2 3.51Å; I321-V326 HydrophobicContact CG1-CB 4.47Å; I321-V326 HydrophobicContact CG1-CG2 3.53Å; I321-A345 HydrophobicContact CD1-CB 4.09Å; I321-A345 WeakPolarHBondContact CD1-O 3.41Å; I321-D348 HydrophobicContact CG1-CB 4.36Å; I321-D348 HydrophobicContact CG2-CB 4.42Å; I321-A349 HydrophobicContact CD1-CB 4.14Å; I321-A349 HydrophobicContact CG1-CB 4.48Å
322	H	74.5	Confident	76.1	Confident	145 Å²	145	49.5 Å²	49.5	67%	0.671	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	31.6	-177.8	-62.5	-59.5	0	0	0	113.8	H302	H302-H322 AromaticContact CE1-CD2 3.83Å; H302-H322 AromaticContact NE2-CD2 3.54Å
323	G	77	Confident	77.4	Confident	43 Å²	43	44.4 Å²	44.4	44%	0.443	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	89	-4.6	-178.7	0	0	0	0	0	115.2	Y313 I321	Y313-G323 VanDerWaalsContact CE2-O 3.28Å; Y313-G323 WeakPolarHBondContact CE2-O 3.25Å; I321-G323 PolarHBondContact O-N 2.88Å
324	H	81.6	Confident	78.3	Confident	5 Å²	5	45.1 Å²	45.1	2%	0.023	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.3	179	-57.4	-68.2	0	0	0	112.9	H302 L305 N306 Y313 L320 I321 V326 V329	H302-H324 AromaticContact ND1-CD2 3.52Å; L305-H324 HydrophobicContact CD1-CB 4.05Å; N306-H324 PolarHBondContact OD1-CE1 2.9Å; N306-H324 PolarHBondContact OD1-NE2 3.49Å; N306-H324 VanDerWaalsContact OD1-NE2 3.14Å; Y313-H324 PolarHBondContact OH-ND1 2.87Å; Y313-H324 VanDerWaalsContact OH-ND1 3.12Å; L320-H324 CarbonylContact C-O 3.55Å; L320-H324 WeakPolarHBondContact CA-O 3.47Å; I321-H324 PolarHBondContact N-O 2.85Å; I321-H324 PolarHBondContact O-N 3.34Å; H324-V326 PolarHBondContact O-N 2.78Å; H324-V329 HydrophobicContact CB-CG2 4.04Å
325	P	84	Confident	79.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.9	127.1	172.8	-24.2	33.7	0	0	0	112.1	M309 Y313 Y316 L320 W327 A328 V329	M309-P325 HydrophobicContact CE-CG 4.14Å; Y313-P325 HydrophobicContact CD2-CG 3.86Å; Y313-P325 HydrophobicContact CE2-CG 4.36Å; Y313-P325 HydrophobicContact CG-CG 3.93Å; Y316-P325 HydrophobicContact CD1-CB 4.12Å; Y316-P325 HydrophobicContact CD1-CG 4.14Å; Y316-P325 HydrophobicContact CD2-CG 4.35Å; Y316-P325 HydrophobicContact CG-CB 4.16Å; Y316-P325 HydrophobicContact CG-CG 3.88Å; L320-P325 HydrophobicContact CD2-CG 4.34Å; P325-W327 VanDerWaalsContact C-N 3.29Å; P325-W327 PolarHBondContact O-N 2.88Å; P325-A328 HydrophobicContact CB-CB 4.23Å; P325-A328 WeakPolarHBondContact O-CB 3.46Å; P325-A328 PolarHBondContact O-N 2.88Å; P325-A328 VanDerWaalsContact O-N 3.07Å; P325-V329 PolarHBondContact O-N 2.83Å
326	V	86.8	Confident	80.2	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.024	21%	0.213	C	C	.	.	H	α-helix	trans	-53.5	-45.3	-176.8	168.9	0	0	0	0	112.6	V319 I321 H324 A328 V329 I330 A349 L353	V319-V326 HydrophobicContact CB-CG2 3.72Å; V319-V326 HydrophobicContact CG1-CG2 3.49Å; V319-V326 VanDerWaalsContact CG1-CG2 3.49Å; V319-V326 WeakPolarHBondContact O-CG2 3.24Å; V319-V326 PolarHBondContact O-N 3.11Å; V319-V326 VanDerWaalsContact O-N 3.08Å; I321-V326 HydrophobicContact CB-CG2 4.47Å; I321-V326 HydrophobicContact CD1-CB 3.98Å; I321-V326 HydrophobicContact CD1-CG1 3.82Å; I321-V326 HydrophobicContact CD1-CG2 3.51Å; I321-V326 HydrophobicContact CG1-CB 4.47Å; I321-V326 HydrophobicContact CG1-CG2 3.53Å; H324-V326 PolarHBondContact O-N 2.78Å; V326-A328 VanDerWaalsContact C-N 3.27Å; V326-A328 PolarHBondContact O-N 3.29Å; V326-V329 PolarHBondContact O-N 3.35Å; V326-I330 HydrophobicContact CG1-CD1 3.56Å; V326-I330 HydrophobicContact CG1-CG1 4.19Å; V326-I330 WeakPolarHBondContact O-CG1 3.29Å; V326-I330 PolarHBondContact O-N 3.36Å; V326-A349 HydrophobicContact CB-CB 4.44Å; V326-A349 HydrophobicContact CG1-CB 3.72Å; V326-A349 HydrophobicContact CG2-CB 3.77Å; V326-L353 HydrophobicContact CG1-CD1 3.55Å
327	W	84.2	Confident	80.8	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.027	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-30.3	-177.3	-67.9	110.8	0	0	0	112.8	E317 P325 I330 Y331 L353 F356 K395 V398 Y399	E317-W327 PolarHBondContact OE2-NE1 3.33Å; P325-W327 VanDerWaalsContact C-N 3.29Å; P325-W327 PolarHBondContact O-N 2.88Å; W327-I330 HydrophobicContact CE3-CD1 4.33Å; W327-I330 HydrophobicContact CZ3-CD1 4.43Å; W327-Y331 WeakPolarHBondContact O-CB 3.45Å; W327-Y331 PolarHBondContact O-N 2.83Å; W327-L353 HydrophobicContact CH2-CD2 3.6Å; W327-L353 HydrophobicContact CZ2-CD2 3.45Å; W327-L353 VanDerWaalsContact CZ2-CD2 3.45Å; W327-F356 HydrophobicContact CH2-CG 4.48Å; W327-F356 HydrophobicContact CZ3-CD1 4.4Å; W327-F356 HydrophobicContact CZ3-CE1 4.23Å; W327-F356 HydrophobicContact CZ3-CZ 4.32Å; W327-K395 HydrophobicContact CB-CB 4.32Å; W327-K395 HydrophobicContact CD2-CB 3.74Å; W327-K395 HydrophobicContact CD2-CD 4.4Å; W327-K395 HydrophobicContact CD2-CG 3.8Å; W327-K395 HydrophobicContact CE3-CB 4.34Å; W327-K395 HydrophobicContact CE3-CG 4.27Å; W327-K395 HydrophobicContact CG-CB 3.7Å; W327-K395 HydrophobicContact CG-CG 4.24Å; W327-K395 HydrophobicContact CH2-CG 4.28Å; W327-K395 HydrophobicContact CZ2-CD 3.91Å; W327-K395 HydrophobicContact CZ2-CG 3.76Å; W327-V398 HydrophobicContact CE3-CB 4.45Å; W327-V398 HydrophobicContact CE3-CG1 4.5Å; W327-V398 HydrophobicContact CE3-CG2 4.41Å; W327-V398 HydrophobicContact CZ3-CG1 4.15Å; W327-Y399 AromaticContact CH2-CE2 3.72Å; W327-Y399 HydrophobicContact CH2-CE2 3.72Å; W327-Y399 AromaticContact CZ3-CE2 3.94Å; W327-Y399 HydrophobicContact CZ3-CE2 3.94Å
328	A	84.6	Confident	81.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.5	-44.1	173.7	0	0	0	0	0	110.9	L305 M309 P325 V326 Y331 C332 Y394	L305-A328 HydrophobicContact CD1-CB 4.22Å; L305-A328 HydrophobicContact CD2-CB 4.4Å; M309-A328 HydrophobicContact CE-CB 3.88Å; M309-A328 HydrophobicContact SD-CB 4.39Å; P325-A328 HydrophobicContact CB-CB 4.23Å; P325-A328 WeakPolarHBondContact O-CB 3.46Å; P325-A328 PolarHBondContact O-N 2.88Å; P325-A328 VanDerWaalsContact O-N 3.07Å; V326-A328 VanDerWaalsContact C-N 3.27Å; V326-A328 PolarHBondContact O-N 3.29Å; A328-Y331 PolarHBondContact O-N 2.81Å; A328-C332 WeakPolarHBondContact O-CB 3.45Å; A328-C332 PolarHBondContact O-N 3.43Å; A328-C332 PolarHBondContact O-SG 2.85Å; A328-C332 VanDerWaalsContact O-SG 3.41Å; A328-Y394 HydrophobicContact CB-CD2 3.64Å; A328-Y394 HydrophobicContact CB-CE2 3.68Å; A328-Y394 HydrophobicContact CB-CG 4.09Å
329	V	86.3	Confident	82.4	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-51.2	175.7	-178.6	0	0	0	0	110.3	V301 L305 H324 P325 V326 Y331 C332 C333 A345	V301-V329 HydrophobicContact CG1-CG1 4.22Å; L305-V329 HydrophobicContact CD1-CB 4.48Å; L305-V329 HydrophobicContact CD1-CG2 3.69Å; H324-V329 HydrophobicContact CB-CG2 4.04Å; P325-V329 PolarHBondContact O-N 2.83Å; V326-V329 PolarHBondContact O-N 3.35Å; V329-Y331 VanDerWaalsContact C-N 3.34Å; V329-Y331 PolarHBondContact O-N 2.8Å; V329-C332 PolarHBondContact O-N 2.84Å; V329-C333 PolarHBondContact O-N 2.89Å; V329-C333 PolarHBondContact O-SG 2.95Å; V329-A345 HydrophobicContact CG1-CB 3.78Å
330	I	86	Confident	82.9	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-46.1	178.9	-68.7	174.7	0	0	0	110.9	V326 W327 C333 L334 A345 A346 L353 F356 V398	V326-I330 HydrophobicContact CG1-CD1 3.56Å; V326-I330 HydrophobicContact CG1-CG1 4.19Å; V326-I330 WeakPolarHBondContact O-CG1 3.29Å; V326-I330 PolarHBondContact O-N 3.36Å; W327-I330 HydrophobicContact CE3-CD1 4.33Å; W327-I330 HydrophobicContact CZ3-CD1 4.43Å; I330-C333 PolarHBondContact O-N 3.35Å; I330-L334 HydrophobicContact CG2-CD1 3.83Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 WeakPolarHBondContact O-CB 3.44Å; I330-L334 VanDerWaalsContact O-CG 3.28Å; I330-L334 WeakPolarHBondContact O-CG 3.46Å; I330-L334 PolarHBondContact O-N 2.99Å; I330-A345 HydrophobicContact CG1-CB 4.11Å; I330-A346 HydrophobicContact CD1-CB 4.26Å; I330-L353 HydrophobicContact CD1-CD1 3.78Å; I330-F356 HydrophobicContact CD1-CE1 4.38Å; I330-F356 HydrophobicContact CG2-CE1 3.84Å; I330-F356 HydrophobicContact CG2-CZ 4.28Å; I330-V398 HydrophobicContact CG2-CG2 4.38Å
331	Y	85	Confident	83.3	Confident	64 Å²	64	31.4 Å²	31.4	25%	0.251	17%	0.165	S	C	.	.	H	α-helix	trans	-59.9	-48.6	178.8	172.3	-95.9	0	0	0	111.6	W327 A328 V329 L334 R335 Y394 A397 V398	W327-Y331 WeakPolarHBondContact O-CB 3.45Å; W327-Y331 PolarHBondContact O-N 2.83Å; A328-Y331 PolarHBondContact O-N 2.81Å; V329-Y331 VanDerWaalsContact C-N 3.34Å; V329-Y331 PolarHBondContact O-N 2.8Å; Y331-L334 PolarHBondContact O-N 2.88Å; Y331-R335 HydrophobicContact CE1-CB 4.48Å; Y331-R335 WeakPolarHBondContact O-CB 3.45Å; Y331-R335 PolarHBondContact O-N 3.49Å; Y331-Y394 AromaticContact CD1-CD1 3.52Å; Y331-Y394 HydrophobicContact CD1-CD1 3.52Å; Y331-Y394 AromaticContact CD1-CE1 3.65Å; Y331-Y394 HydrophobicContact CD1-CE1 3.65Å; Y331-Y394 HydrophobicContact CD2-CD1 4.36Å; Y331-Y394 HydrophobicContact CE1-CD1 4.21Å; Y331-Y394 HydrophobicContact CE1-CE1 4.08Å; Y331-Y394 AromaticContact CG-CD1 3.61Å; Y331-Y394 HydrophobicContact CG-CD1 3.61Å; Y331-Y394 HydrophobicContact CG-CE1 4.23Å; Y331-A397 HydrophobicContact CD2-CB 4.03Å; Y331-A397 HydrophobicContact CE2-CB 3.97Å; Y331-V398 HydrophobicContact CD2-CG2 4.27Å
332	C	85.3	Confident	83.9	Confident	1 Å²	1	31 Å²	31	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-40.4	179.7	-72.4	0	0	0	0	112	Y274 V301 A328 V329 R335 C336	Y274-C332 PolarHBondContact OH-SG 3.35Å; Y274-C332 VanDerWaalsContact OH-SG 3.39Å; V301-C332 HydrophobicContact CB-CB 4.34Å; V301-C332 HydrophobicContact CG1-CB 3.54Å; V301-C332 HydrophobicContact CG2-CB 3.82Å; A328-C332 WeakPolarHBondContact O-CB 3.45Å; A328-C332 PolarHBondContact O-N 3.43Å; A328-C332 PolarHBondContact O-SG 2.85Å; A328-C332 VanDerWaalsContact O-SG 3.41Å; V329-C332 PolarHBondContact O-N 2.84Å; C332-R335 PolarHBondContact O-N 2.59Å; C332-C336 PolarHBondContact O-N 2.88Å; C332-C336 PolarHBondContact O-SG 3.04Å; C332-C336 VanDerWaalsContact O-SG 3.38Å
333	C	86.5	Confident	84.4	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.3	-48	174.1	-66.8	0	0	0	0	111.8	V329 I330 R335 C336 G337 D338 A341 A342	V329-C333 PolarHBondContact O-N 2.89Å; V329-C333 PolarHBondContact O-SG 2.95Å; I330-C333 PolarHBondContact O-N 3.35Å; C333-R335 VanDerWaalsContact C-N 3.31Å; C333-R335 PolarHBondContact O-N 3.46Å; C333-C336 PolarHBondContact O-N 3.15Å; C333-G337 PolarHBondContact O-N 3.04Å; C333-D338 PolarHBondContact O-N 2.88Å; C333-D338 VanDerWaalsContact O-N 3.08Å; C333-A341 HydrophobicContact CB-CB 4.04Å; C333-A342 HydrophobicContact CB-CB 3.85Å
334	L	84.3	Confident	84.9	Confident	53 Å²	53	25.1 Å²	25.1	28%	0.277	13%	0.131	S	C	.	.	H	α-helix	trans	-63.8	-36.7	176.8	-69.6	175.2	0	0	0	112	I330 Y331 C336 G337 A342 L360 V398	I330-L334 HydrophobicContact CG2-CD1 3.83Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 WeakPolarHBondContact O-CB 3.44Å; I330-L334 VanDerWaalsContact O-CG 3.28Å; I330-L334 WeakPolarHBondContact O-CG 3.46Å; I330-L334 PolarHBondContact O-N 2.99Å; Y331-L334 PolarHBondContact O-N 2.88Å; L334-C336 VanDerWaalsContact C-N 3.26Å; L334-C336 PolarHBondContact O-N 3.44Å; L334-G337 PolarHBondContact O-N 3.38Å; L334-A342 HydrophobicContact CD2-CB 3.74Å; L334-A342 HydrophobicContact CG-CB 3.88Å; L334-L360 HydrophobicContact CD2-CD2 4.05Å; L334-V398 HydrophobicContact CD1-CG1 4.03Å; L334-V398 HydrophobicContact CD1-CG2 4.36Å
335	R	82.1	Confident	85.1	Confident	79 Å²	79	25.1 Å²	25.1	30%	0.298	13%	0.131	S	C	.	.	H	α-helix	trans	-70.3	-24.3	179.9	-171.7	63.3	-172.9	75.5	1.5	112.9	L270 Y274 Y331 C332 C333	L270-R335 PolarHBondContact O-NH1 3.41Å; Y274-R335 HydrophobicContact CD1-CB 3.77Å; Y274-R335 HydrophobicContact CD1-CG 3.36Å; Y274-R335 HydrophobicContact CD2-CG 4.05Å; Y274-R335 HydrophobicContact CE1-CB 3.65Å; Y274-R335 HydrophobicContact CE1-CG 3.48Å; Y274-R335 VanDerWaalsContact CE1-CG 3.48Å; Y274-R335 HydrophobicContact CE2-CG 4.18Å; Y274-R335 HydrophobicContact CG-CG 3.66Å; Y331-R335 HydrophobicContact CE1-CB 4.48Å; Y331-R335 WeakPolarHBondContact O-CB 3.45Å; Y331-R335 PolarHBondContact O-N 3.49Å; C332-R335 PolarHBondContact O-N 2.59Å; C333-R335 VanDerWaalsContact C-N 3.31Å; C333-R335 PolarHBondContact O-N 3.46Å
336	C	84.5	Confident	85.2	Confident	11 Å²	11	25.2 Å²	25.2	7%	0.074	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.3	169.8	-70	0	0	0	0	113.8	Y274 M278 I297 C332 C333 L334 D338	Y274-C336 VanDerWaalsContact CD1-SG 3.52Å; M278-C336 PolarHBondContact SD-SG 3.2Å; I297-C336 HydrophobicContact CD1-CB 4.33Å; I297-C336 HydrophobicContact CG2-CB 3.77Å; C332-C336 PolarHBondContact O-N 2.88Å; C332-C336 PolarHBondContact O-SG 3.04Å; C332-C336 VanDerWaalsContact O-SG 3.38Å; C333-C336 PolarHBondContact O-N 3.15Å; L334-C336 VanDerWaalsContact C-N 3.26Å; L334-C336 PolarHBondContact O-N 3.44Å; C336-D338 VanDerWaalsContact C-N 3.3Å; C336-D338 PolarHBondContact O-N 3.29Å
337	G	82.2	Confident	85.2	Confident	36 Å²	36	28.5 Å²	28.5	37%	0.371	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	6.3	-177.5	0	0	0	0	0	115	E271 C333 L334 R339	E271-G337 WeakPolarHBondContact OE1-CA 3.43Å; C333-G337 PolarHBondContact O-N 3.04Å; L334-G337 PolarHBondContact O-N 3.38Å; G337-R339 PolarHBondContact O-N 3.43Å
338	D	85.2	Confident	85.3	Confident	44 Å²	44	32.9 Å²	32.9	24%	0.235	17%	0.174	C	C	.	.			trans	-94	90.4	179.7	-166.3	-18.8	0	0	0	111	I297 C333 C336 E340 A341 A342	I297-D338 HydrophobicContact CB-CB 4.07Å; I297-D338 WeakPolarHBondContact CB-OD2 3.08Å; I297-D338 HydrophobicContact CD1-CB 3.52Å; I297-D338 HydrophobicContact CG1-CB 4.36Å; I297-D338 HydrophobicContact CG2-CB 4.01Å; C333-D338 PolarHBondContact O-N 2.88Å; C333-D338 VanDerWaalsContact O-N 3.08Å; C336-D338 VanDerWaalsContact C-N 3.3Å; C336-D338 PolarHBondContact O-N 3.29Å; D338-E340 PolarHBondContact OD1-N 3.37Å; D338-A341 HydrophobicContact CB-CB 3.79Å; D338-A341 WeakPolarHBondContact OD1-CB 3.36Å; D338-A341 PolarHBondContact OD1-N 3.27Å; D338-A341 WeakPolarHBondContact OD2-CB 3.37Å; D338-A342 PolarHBondContact O-N 2.94Å
339	R	82.5	Confident	85.2	Confident	43 Å²	43	33.8 Å²	33.8	16%	0.162	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-38.8	178.2	-169.3	-169.5	72.3	-156.4	-15.9	111.9	G337 A341 A342 I343 L360 F363 D365	G337-R339 PolarHBondContact O-N 3.43Å; R339-A341 VanDerWaalsContact C-N 3.34Å; R339-A342 WeakPolarHBondContact O-CB 3.46Å; R339-A342 PolarHBondContact O-N 3.27Å; R339-A342 VanDerWaalsContact O-N 3.15Å; R339-I343 HydrophobicContact CG-CD1 4.07Å; R339-I343 WeakPolarHBondContact O-CG1 3.47Å; R339-I343 PolarHBondContact O-N 3.3Å; R339-L360 WeakPolarHBondContact CD-O 3.28Å; R339-F363 PolarHBondContact NH1-O 3.43Å; R339-D365 IonicContact CZ-OD1 3.81Å; R339-D365 IonicContact CZ-OD2 2.97Å; R339-D365 IonicContact NE-OD1 2.78Å; R339-D365 IonicContact NH1-OD1 2.68Å; R339-D365 PolarHBondContact NH1-OD1 3.35Å; R339-D365 IonicContact NH1-OD2 3.29Å; R339-D365 PolarHBondContact NH1-OD2 2.87Å; R339-D365 IonicContact NH2-OD1 3.88Å; R339-D365 PolarHBondContact NH2-OD1 3.46Å; R339-D365 IonicContact NH2-OD2 2.86Å; R339-D365 PolarHBondContact NH2-OD2 3.44Å
340	E	86.4	Confident	85	Confident	109 Å²	109	35 Å²	35	51%	0.509	19%	0.193	S	C	.	.	H	α-helix	trans	-66.4	-39.7	-178.9	-65.3	-55.6	135	0	0	110.9	D338 A342 I343 S344	D338-E340 PolarHBondContact OD1-N 3.37Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.3Å; E340-I343 PolarHBondContact O-N 3.41Å; E340-S344 PolarHBondContact O-N 3.01Å
341	A	86.4	Confident	84.7	Confident	6 Å²	6	40.9 Å²	40.9	5%	0.05	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-43.6	169.6	0	0	0	0	0	112.5	C298 C333 D338 R339 S344 A345	C298-A341 VanDerWaalsContact SG-CA 3.57Å; C298-A341 WeakPolarHBondContact SG-CB 3.28Å; C333-A341 HydrophobicContact CB-CB 4.04Å; D338-A341 HydrophobicContact CB-CB 3.79Å; D338-A341 WeakPolarHBondContact OD1-CB 3.36Å; D338-A341 PolarHBondContact OD1-N 3.27Å; D338-A341 WeakPolarHBondContact OD2-CB 3.37Å; R339-A341 VanDerWaalsContact C-N 3.34Å; A341-S344 PolarHBondContact O-N 3.23Å; A341-A345 PolarHBondContact O-N 3.18Å
342	A	86.2	Confident	84.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.9	-38.7	177.1	0	0	0	0	0	112.4	C333 L334 D338 R339 E340 A345 A346 L360	C333-A342 HydrophobicContact CB-CB 3.85Å; L334-A342 HydrophobicContact CD2-CB 3.74Å; L334-A342 HydrophobicContact CG-CB 3.88Å; D338-A342 PolarHBondContact O-N 2.94Å; R339-A342 WeakPolarHBondContact O-CB 3.46Å; R339-A342 PolarHBondContact O-N 3.27Å; R339-A342 VanDerWaalsContact O-N 3.15Å; E340-A342 VanDerWaalsContact C-N 3.34Å; E340-A342 PolarHBondContact O-N 3.3Å; A342-A345 PolarHBondContact O-N 3.36Å; A342-A346 WeakPolarHBondContact O-CB 3.47Å; A342-A346 PolarHBondContact O-N 3.09Å; A342-L360 HydrophobicContact CB-CD1 4.27Å
343	I	86.2	Confident	84	Confident	13 Å²	13	43.1 Å²	43.1	7%	0.067	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-41.8	174.5	-70.4	167	0	0	0	110.5	R339 E340 A346 N347 K357 L360 K361	R339-I343 HydrophobicContact CG-CD1 4.07Å; R339-I343 WeakPolarHBondContact O-CG1 3.47Å; R339-I343 PolarHBondContact O-N 3.3Å; E340-I343 PolarHBondContact O-N 3.41Å; I343-A346 PolarHBondContact O-N 2.92Å; I343-N347 VanDerWaalsContact O-CG 3.26Å; I343-N347 PolarHBondContact O-N 3.35Å; I343-N347 PolarHBondContact O-ND2 3.22Å; I343-N347 VanDerWaalsContact O-ND2 3.09Å; I343-K357 HydrophobicContact CG2-CG 4.34Å; I343-L360 HydrophobicContact CD1-CB 4.35Å; I343-L360 HydrophobicContact CG1-CB 3.91Å; I343-L360 HydrophobicContact CG1-CD1 4.09Å; I343-K361 HydrophobicContact CD1-CG 4.08Å
344	S	87.1	Confident	83.5	Confident	52 Å²	52	45.3 Å²	45.3	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-48.6	174.7	-166.6	0	0	0	0	111	E340 A341 A346 N347 D348	E340-S344 PolarHBondContact O-N 3.01Å; A341-S344 PolarHBondContact O-N 3.23Å; S344-A346 VanDerWaalsContact C-N 3.31Å; S344-A346 PolarHBondContact O-N 3.13Å; S344-N347 WeakPolarHBondContact O-CB 3.23Å; S344-N347 PolarHBondContact O-N 3.47Å; S344-D348 PolarHBondContact O-N 3.44Å
345	A	86.3	Confident	83.2	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-59.5	-41.2	176	0	0	0	0	0	111.9	I321 V329 I330 A341 A342 N347 D348 A349	I321-A345 HydrophobicContact CD1-CB 4.09Å; I321-A345 WeakPolarHBondContact CD1-O 3.41Å; V329-A345 HydrophobicContact CG1-CB 3.78Å; I330-A345 HydrophobicContact CG1-CB 4.11Å; A341-A345 PolarHBondContact O-N 3.18Å; A342-A345 PolarHBondContact O-N 3.36Å; A345-N347 VanDerWaalsContact C-N 3.31Å; A345-N347 PolarHBondContact O-N 2.82Å; A345-D348 PolarHBondContact O-N 2.65Å; A345-A349 PolarHBondContact O-N 3.34Å; A345-A349 VanDerWaalsContact O-N 3.1Å
346	A	86.3	Confident	83	Confident	3 Å²	3	45.5 Å²	45.5	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-32.4	175.6	0	0	0	0	0	113	I330 A342 I343 S344 L353	I330-A346 HydrophobicContact CD1-CB 4.26Å; A342-A346 WeakPolarHBondContact O-CB 3.47Å; A342-A346 PolarHBondContact O-N 3.09Å; I343-A346 PolarHBondContact O-N 2.92Å; S344-A346 VanDerWaalsContact C-N 3.31Å; S344-A346 PolarHBondContact O-N 3.13Å; A346-L353 HydrophobicContact CB-CB 4.46Å
347	N	86.6	Confident	82.8	Confident	72 Å²	72	47.4 Å²	47.4	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-67	-42.8	172.8	-68.9	-43	0	0	0	111.7	I343 S344 A345 A349 G350 K357	I343-N347 VanDerWaalsContact O-CG 3.26Å; I343-N347 PolarHBondContact O-N 3.35Å; I343-N347 PolarHBondContact O-ND2 3.22Å; I343-N347 VanDerWaalsContact O-ND2 3.09Å; S344-N347 WeakPolarHBondContact O-CB 3.23Å; S344-N347 PolarHBondContact O-N 3.47Å; A345-N347 VanDerWaalsContact C-N 3.31Å; A345-N347 PolarHBondContact O-N 2.82Å; N347-A349 VanDerWaalsContact C-N 3.29Å; N347-A349 PolarHBondContact O-N 3.13Å; N347-G350 PolarHBondContact O-N 3.44Å; N347-K357 WeakPolarHBondContact OD1-CD 3.44Å; N347-K357 WeakPolarHBondContact OD1-CE 3.5Å; N347-K357 PolarHBondContact OD1-NZ 3.21Å
348	D	85.2	Confident	82.7	Confident	100 Å²	100	50.8 Å²	50.8	54%	0.535	30%	0.298	S	S	.	.	H	α-helix	trans	-69.1	-28.4	-177.4	-63.7	-27.1	0	0	0	112.4	I321 S344 A345 G350	I321-D348 HydrophobicContact CG1-CB 4.36Å; I321-D348 HydrophobicContact CG2-CB 4.42Å; S344-D348 PolarHBondContact O-N 3.44Å; A345-D348 PolarHBondContact O-N 2.65Å; D348-G350 PolarHBondContact O-N 3.06Å
349	A	82.8	Confident	82.4	Confident	18 Å²	18	49.3 Å²	49.3	15%	0.149	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.6	173.8	0	0	0	0	0	114.1	V319 I321 V326 A345 N347 L353	V319-A349 HydrophobicContact CG1-CB 4.21Å; I321-A349 HydrophobicContact CD1-CB 4.14Å; I321-A349 HydrophobicContact CG1-CB 4.48Å; V326-A349 HydrophobicContact CB-CB 4.44Å; V326-A349 HydrophobicContact CG1-CB 3.72Å; V326-A349 HydrophobicContact CG2-CB 3.77Å; A345-A349 PolarHBondContact O-N 3.34Å; A345-A349 VanDerWaalsContact O-N 3.1Å; N347-A349 VanDerWaalsContact C-N 3.29Å; N347-A349 PolarHBondContact O-N 3.13Å; A349-L353 HydrophobicContact CB-CD1 3.66Å; A349-L353 HydrophobicContact CB-CG 4.39Å
350	G	81.1	Confident	82.2	Confident	26 Å²	26	47.6 Å²	47.6	27%	0.268	29%	0.285	S	S	.	.			trans	94.3	-172.1	-179.7	0	0	0	0	0	115.2	N347 D348 A352 L353	N347-G350 PolarHBondContact O-N 3.44Å; D348-G350 PolarHBondContact O-N 3.06Å; G350-A352 PolarHBondContact O-N 3.21Å; G350-A352 VanDerWaalsContact O-N 3.1Å; G350-L353 PolarHBondContact O-N 3.14Å
351	P	79.6	Confident	81.8	Confident	124 Å²	124	47.2 Å²	47.2	81%	0.805	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-68.3	-15	-165.7	26.7	-35	0	0	0	114.7	L353 A354	P351-L353 PolarHBondContact O-N 3.39Å; P351-A354 VanDerWaalsContact O-CB 3.31Å; P351-A354 WeakPolarHBondContact O-CB 3.47Å; P351-A354 PolarHBondContact O-N 3.02Å; P351-A354 VanDerWaalsContact O-N 3.15Å
352	A	75.9	Confident	81.3	Confident	90 Å²	90	50.9 Å²	50.9	74%	0.744	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-62.8	-22.5	179.2	0	0	0	0	0	113.4	G350	G350-A352 PolarHBondContact O-N 3.21Å; G350-A352 VanDerWaalsContact O-N 3.1Å
353	L	80	Confident	80.5	Confident	22 Å²	22	54.8 Å²	54.8	12%	0.115	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-104.9	14.4	178	-64.3	-177.8	0	0	0	113.6	V326 W327 I330 A346 A349 G350 P351 D355 F356 K357	V326-L353 HydrophobicContact CG1-CD1 3.55Å; W327-L353 HydrophobicContact CH2-CD2 3.6Å; W327-L353 HydrophobicContact CZ2-CD2 3.45Å; W327-L353 VanDerWaalsContact CZ2-CD2 3.45Å; I330-L353 HydrophobicContact CD1-CD1 3.78Å; A346-L353 HydrophobicContact CB-CB 4.46Å; A349-L353 HydrophobicContact CB-CD1 3.66Å; A349-L353 HydrophobicContact CB-CG 4.39Å; G350-L353 PolarHBondContact O-N 3.14Å; P351-L353 PolarHBondContact O-N 3.39Å; L353-D355 VanDerWaalsContact C-N 3.33Å; L353-D355 PolarHBondContact O-N 3.37Å; L353-F356 PolarHBondContact O-N 3.29Å; L353-F356 VanDerWaalsContact O-N 3.13Å; L353-K357 PolarHBondContact O-N 3.2Å
354	A	77	Confident	79.5	Confident	47 Å²	47	57.1 Å²	57.1	39%	0.388	33%	0.331	S	S	.	.	H	α-helix	trans	-57.9	-43.1	-179.6	0	0	0	0	0	112.7	P351 F356 K357 E358	P351-A354 VanDerWaalsContact O-CB 3.31Å; P351-A354 WeakPolarHBondContact O-CB 3.47Å; P351-A354 PolarHBondContact O-N 3.02Å; P351-A354 VanDerWaalsContact O-N 3.15Å; A354-F356 VanDerWaalsContact C-N 3.33Å; A354-F356 PolarHBondContact O-N 2.88Å; A354-K357 WeakPolarHBondContact O-CB 3.1Å; A354-K357 PolarHBondContact O-N 2.52Å; A354-E358 PolarHBondContact O-N 2.94Å
355	D	76.9	Confident	78.1	Confident	122 Å²	122	60.5 Å²	60.5	65%	0.652	35%	0.345	S	S	*	.	H	α-helix	trans	-62.8	-41.2	176.9	-70.1	-17	0	0	0	111.6	L353 E358 V359	L353-D355 VanDerWaalsContact C-N 3.33Å; L353-D355 PolarHBondContact O-N 3.37Å; D355-E358 PolarHBondContact O-N 2.64Å; D355-V359 VanDerWaalsContact O-CG2 3.29Å; D355-V359 WeakPolarHBondContact O-CG2 3.26Å; D355-V359 PolarHBondContact O-N 2.86Å
356	F	79.6	Confident	76.6	Confident	14 Å²	14	67.8 Å²	67.8	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-36.6	179.5	-177.2	-107.5	0	0	0	112	W327 I330 L353 A354 V359 L360 V398 Y399	W327-F356 HydrophobicContact CH2-CG 4.48Å; W327-F356 HydrophobicContact CZ3-CD1 4.4Å; W327-F356 HydrophobicContact CZ3-CE1 4.23Å; W327-F356 HydrophobicContact CZ3-CZ 4.32Å; I330-F356 HydrophobicContact CD1-CE1 4.38Å; I330-F356 HydrophobicContact CG2-CE1 3.84Å; I330-F356 HydrophobicContact CG2-CZ 4.28Å; L353-F356 PolarHBondContact O-N 3.29Å; L353-F356 VanDerWaalsContact O-N 3.13Å; A354-F356 VanDerWaalsContact C-N 3.33Å; A354-F356 PolarHBondContact O-N 2.88Å; F356-V359 WeakPolarHBondContact O-CB 3.48Å; F356-V359 PolarHBondContact O-N 2.65Å; F356-L360 HydrophobicContact CD1-CD1 3.93Å; F356-L360 HydrophobicContact CD1-CG 4.18Å; F356-L360 HydrophobicContact CE1-CD1 3.42Å; F356-L360 VanDerWaalsContact CE1-CD1 3.42Å; F356-L360 HydrophobicContact CE1-CD2 4.19Å; F356-L360 HydrophobicContact CE1-CG 3.75Å; F356-L360 HydrophobicContact CZ-CD1 4.03Å; F356-L360 HydrophobicContact CZ-CD2 3.91Å; F356-L360 HydrophobicContact CZ-CG 3.93Å; F356-L360 PolarHBondContact O-N 2.59Å; F356-V398 HydrophobicContact CE1-CG1 4.37Å; F356-V398 HydrophobicContact CE2-CG1 3.72Å; F356-V398 HydrophobicContact CZ-CG1 3.36Å; F356-Y399 HydrophobicContact CD2-CE2 4.11Å; F356-Y399 AromaticContact CD2-CZ 3.8Å; F356-Y399 WeakPolarHBondContact CD2-OH 3.31Å; F356-Y399 HydrophobicContact CE2-CE2 4.13Å
357	K	80.3	Confident	74.9	Confident	51 Å²	51	71.5 Å²	71.5	22%	0.222	40%	0.398	C	S	.	.	H	α-helix	trans	-60.3	-46.9	174	173.5	-170.2	179.5	175.4	0	112.2	I343 N347 L353 A354 V359 L360 K361	I343-K357 HydrophobicContact CG2-CG 4.34Å; N347-K357 WeakPolarHBondContact OD1-CD 3.44Å; N347-K357 WeakPolarHBondContact OD1-CE 3.5Å; N347-K357 PolarHBondContact OD1-NZ 3.21Å; L353-K357 PolarHBondContact O-N 3.2Å; A354-K357 WeakPolarHBondContact O-CB 3.1Å; A354-K357 PolarHBondContact O-N 2.52Å; K357-V359 PolarHBondContact O-N 3.39Å; K357-L360 PolarHBondContact O-N 2.96Å; K357-K361 VanDerWaalsContact CE-CE 3.47Å; K357-K361 WeakPolarHBondContact O-CG 3.45Å; K357-K361 PolarHBondContact O-N 3.48Å
358	E	79.8	Confident	73.3	Confident	106 Å²	106	72.6 Å²	72.6	50%	0.495	40%	0.403	S	S	.	.	H	α-helix	trans	-64.1	-36.3	179.1	-66.9	-55	123.7	0	0	111	A354 D355 K361 E362	A354-E358 PolarHBondContact O-N 2.94Å; D355-E358 PolarHBondContact O-N 2.64Å; E358-K361 PolarHBondContact O-N 2.63Å; E358-K361 IonicContact OE1-NZ 2.78Å; E358-K361 PolarHBondContact OE1-NZ 3.06Å; E358-K361 IonicContact OE2-NZ 2.67Å; E358-E362 PolarHBondContact O-N 3.49Å
359	V	77.8	Confident	71.8	Confident	13 Å²	13	70.9 Å²	70.9	8%	0.079	40%	0.397	C	S	.	.	H	α-helix	trans	-63.7	-45.1	171.9	176.1	0	0	0	0	111.6	D355 F356 K357 K361 E362 F363 L371 T375 L379	D355-V359 VanDerWaalsContact O-CG2 3.29Å; D355-V359 WeakPolarHBondContact O-CG2 3.26Å; D355-V359 PolarHBondContact O-N 2.86Å; F356-V359 WeakPolarHBondContact O-CB 3.48Å; F356-V359 PolarHBondContact O-N 2.65Å; K357-V359 PolarHBondContact O-N 3.39Å; V359-K361 VanDerWaalsContact C-N 3.32Å; V359-K361 PolarHBondContact O-N 3.39Å; V359-E362 PolarHBondContact O-N 2.97Å; V359-E362 VanDerWaalsContact O-N 3.16Å; V359-F363 HydrophobicContact CG1-CD2 4.49Å; V359-F363 HydrophobicContact CG1-CE2 3.73Å; V359-F363 WeakPolarHBondContact O-CD2 3.32Å; V359-L371 HydrophobicContact CG1-CD2 4.18Å; V359-T375 HydrophobicContact CB-CG2 4.4Å; V359-T375 HydrophobicContact CG1-CG2 4.06Å; V359-T375 HydrophobicContact CG2-CG2 3.88Å; V359-L379 HydrophobicContact CG1-CD1 3.79Å; V359-L379 HydrophobicContact CG1-CD2 3.87Å; V359-L379 HydrophobicContact CG1-CG 4.01Å; V359-L379 HydrophobicContact CG2-CD2 4.21Å; V359-L379 HydrophobicContact CG2-CG 4.46Å
360	L	77.7	Confident	70.5	Confident	8 Å²	8	77.5 Å²	77.5	4%	0.042	42%	0.424	C	S	.	.	H	α-helix	trans	-59.3	-40	177.2	-77.2	-177.1	0	0	0	112.6	L334 R339 A342 I343 F356 K357 E362 F363	L334-L360 HydrophobicContact CD2-CD2 4.05Å; R339-L360 WeakPolarHBondContact CD-O 3.28Å; A342-L360 HydrophobicContact CB-CD1 4.27Å; I343-L360 HydrophobicContact CD1-CB 4.35Å; I343-L360 HydrophobicContact CG1-CB 3.91Å; I343-L360 HydrophobicContact CG1-CD1 4.09Å; F356-L360 HydrophobicContact CD1-CD1 3.93Å; F356-L360 HydrophobicContact CD1-CG 4.18Å; F356-L360 HydrophobicContact CE1-CD1 3.42Å; F356-L360 VanDerWaalsContact CE1-CD1 3.42Å; F356-L360 HydrophobicContact CE1-CD2 4.19Å; F356-L360 HydrophobicContact CE1-CG 3.75Å; F356-L360 HydrophobicContact CZ-CD1 4.03Å; F356-L360 HydrophobicContact CZ-CD2 3.91Å; F356-L360 HydrophobicContact CZ-CG 3.93Å; F356-L360 PolarHBondContact O-N 2.59Å; K357-L360 PolarHBondContact O-N 2.96Å; L360-E362 VanDerWaalsContact C-N 3.29Å; L360-E362 PolarHBondContact O-N 3.02Å; L360-F363 PolarHBondContact O-N 2.95Å
361	K	79.5	Confident	69.7	Low	100 Å²	100	77.7 Å²	77.7	44%	0.435	42%	0.419	S	S	.	.	H	α-helix	trans	-67.4	-26.3	177.1	-71	173.8	179.1	171	0	113.9	I343 K357 E358 V359 F363	I343-K361 HydrophobicContact CD1-CG 4.08Å; K357-K361 VanDerWaalsContact CE-CE 3.47Å; K357-K361 WeakPolarHBondContact O-CG 3.45Å; K357-K361 PolarHBondContact O-N 3.48Å; E358-K361 PolarHBondContact O-N 2.63Å; E358-K361 IonicContact OE1-NZ 2.78Å; E358-K361 PolarHBondContact OE1-NZ 3.06Å; E358-K361 IonicContact OE2-NZ 2.67Å; V359-K361 VanDerWaalsContact C-N 3.32Å; V359-K361 PolarHBondContact O-N 3.39Å; K361-F363 VanDerWaalsContact C-N 3.31Å
362	E	75.3	Confident	69.1	Low	84 Å²	84	73.1 Å²	73.1	39%	0.393	39%	0.394	S	S	.	.	H	α-helix	trans	-77.5	-17.2	179.6	-158.7	-172	145.7	0	0	112.3	E358 V359 L360 P364 G372 T375	E358-E362 PolarHBondContact O-N 3.49Å; V359-E362 PolarHBondContact O-N 2.97Å; V359-E362 VanDerWaalsContact O-N 3.16Å; L360-E362 VanDerWaalsContact C-N 3.29Å; L360-E362 PolarHBondContact O-N 3.02Å; E362-P364 WeakPolarHBondContact O-CD 3.28Å; E362-G372 PolarHBondContact OE1-N 3.24Å; E362-T375 VanDerWaalsContact CD-OG1 3.29Å; E362-T375 PolarHBondContact OE1-OG1 3.41Å; E362-T375 WeakPolarHBondContact OE2-CB 3.28Å; E362-T375 VanDerWaalsContact OE2-CG2 3.25Å; E362-T375 WeakPolarHBondContact OE2-CG2 3.31Å; E362-T375 PolarHBondContact OE2-OG1 3.48Å
363	F	69.5	Low	68.9	Low	81 Å²	81	71 Å²	71	36%	0.355	38%	0.382	S	S	.	.	S	Bend	trans	-69.1	122	174.8	-76.3	-89.8	0	0	0	110.2	R339 V359 L360 K361 L371	R339-F363 PolarHBondContact NH1-O 3.43Å; V359-F363 HydrophobicContact CG1-CD2 4.49Å; V359-F363 HydrophobicContact CG1-CE2 3.73Å; V359-F363 WeakPolarHBondContact O-CD2 3.32Å; L360-F363 PolarHBondContact O-N 2.95Å; K361-F363 VanDerWaalsContact C-N 3.31Å; F363-L371 HydrophobicContact CD1-CD1 4.34Å; F363-L371 HydrophobicContact CD1-CD2 4.42Å; F363-L371 HydrophobicContact CD1-CG 4.27Å; F363-L371 HydrophobicContact CD2-CD2 4.17Å; F363-L371 HydrophobicContact CE1-CD1 3.49Å; F363-L371 VanDerWaalsContact CE1-CD1 3.49Å; F363-L371 HydrophobicContact CE1-CD2 4.11Å; F363-L371 HydrophobicContact CE1-CG 3.88Å; F363-L371 HydrophobicContact CE2-CD1 4.41Å; F363-L371 HydrophobicContact CE2-CD2 3.84Å; F363-L371 HydrophobicContact CG-CD2 4.47Å; F363-L371 HydrophobicContact CZ-CD1 3.55Å; F363-L371 HydrophobicContact CZ-CD2 3.82Å; F363-L371 HydrophobicContact CZ-CG 4.03Å
364	P	64.4	Low	68.8	Low	63 Å²	63	76.1 Å²	76.1	41%	0.409	41%	0.405	S	S	.	.			trans	-65.4	142	176	-14.7	28.1	0	0	0	111.4	E362 E366	E362-P364 WeakPolarHBondContact O-CD 3.28Å; P364-E366 VanDerWaalsContact C-N 3.29Å; P364-E366 PolarHBondContact O-N 2.97Å
365	D	57.8	Low	68.7	Low	122 Å²	122	74.5 Å²	74.5	65%	0.652	39%	0.39	S	S	*	.	S	Bend	trans	-63.7	-32.6	178.5	-75.7	-58.9	0	0	0	113.3	R339	R339-D365 IonicContact CZ-OD1 3.81Å; R339-D365 IonicContact CZ-OD2 2.97Å; R339-D365 IonicContact NE-OD1 2.78Å; R339-D365 IonicContact NH1-OD1 2.68Å; R339-D365 PolarHBondContact NH1-OD1 3.35Å; R339-D365 IonicContact NH1-OD2 3.29Å; R339-D365 PolarHBondContact NH1-OD2 2.87Å; R339-D365 IonicContact NH2-OD1 3.88Å; R339-D365 PolarHBondContact NH2-OD1 3.46Å; R339-D365 IonicContact NH2-OD2 2.86Å; R339-D365 PolarHBondContact NH2-OD2 3.44Å
366	E	55.7	Low	68.5	Low	157 Å²	157	69.8 Å²	69.8	73%	0.734	37%	0.365	S	S	*	.	S	Bend	trans	-111.5	-10	-164.3	-66.4	-172.2	157	0	0	114.3	P364	P364-E366 VanDerWaalsContact C-N 3.29Å; P364-E366 PolarHBondContact O-N 2.97Å
367	N	51	Low	68.3	Low	82 Å²	82	74.1 Å²	74.1	44%	0.439	39%	0.389	S	S	.	.			trans	-144.6	127.6	-172.5	-73.1	-52.4	0	0	0	110.6	T369	N367-T369 HydrophobicContact CB-CG2 3.83Å; N367-T369 WeakPolarHBondContact CB-OG1 3.14Å; N367-T369 PolarHBondContact O-N 3.47Å; N367-T369 PolarHBondContact O-OG1 3.27Å
368	L	52.5	Low	68.3	Low	95 Å²	95	76.7 Å²	76.7	50%	0.497	40%	0.4	S	S	.	.			trans	-60.5	21.3	165.8	-73.8	159.9	0	0	0	113.3	L260 C263	L260-L368 HydrophobicContact CD2-CB 4.05Å; C263-L368 HydrophobicContact CB-CD1 3.33Å
369	T	54.1	Low	68.1	Low	64 Å²	64	73.1 Å²	73.1	39%	0.393	38%	0.384	S	S	.	.			trans	-68.2	141.9	179.1	42.4	0	0	0	0	110.8	L260 N367 L371	L260-T369 HydrophobicContact CD1-CG2 4.4Å; N367-T369 HydrophobicContact CB-CG2 3.83Å; N367-T369 WeakPolarHBondContact CB-OG1 3.14Å; N367-T369 PolarHBondContact O-N 3.47Å; N367-T369 PolarHBondContact O-OG1 3.27Å; T369-L371 PolarHBondContact O-N 2.9Å
370	H	55.9	Low	68	Low	157 Å²	157	79.5 Å²	79.5	73%	0.727	41%	0.407	S	S	*	.			trans	-43.7	119.2	-169.9	-146.8	-77.2	0	0	0	113.3
371	L	63.9	Low	68	Low	29 Å²	29	83.1 Å²	83.1	15%	0.152	43%	0.426	C	S	.	.			trans	-46.9	146.8	158.2	-78.7	137.1	0	0	0	109.4	V359 F363 T369 G373 T375 V376 L379	V359-L371 HydrophobicContact CG1-CD2 4.18Å; F363-L371 HydrophobicContact CD1-CD1 4.34Å; F363-L371 HydrophobicContact CD1-CD2 4.42Å; F363-L371 HydrophobicContact CD1-CG 4.27Å; F363-L371 HydrophobicContact CD2-CD2 4.17Å; F363-L371 HydrophobicContact CE1-CD1 3.49Å; F363-L371 VanDerWaalsContact CE1-CD1 3.49Å; F363-L371 HydrophobicContact CE1-CD2 4.11Å; F363-L371 HydrophobicContact CE1-CG 3.88Å; F363-L371 HydrophobicContact CE2-CD1 4.41Å; F363-L371 HydrophobicContact CE2-CD2 3.84Å; F363-L371 HydrophobicContact CG-CD2 4.47Å; F363-L371 HydrophobicContact CZ-CD1 3.55Å; F363-L371 HydrophobicContact CZ-CD2 3.82Å; F363-L371 HydrophobicContact CZ-CG 4.03Å; T369-L371 PolarHBondContact O-N 2.9Å; L371-G373 PolarHBondContact O-N 3.47Å; L371-T375 HydrophobicContact CD2-CG2 3.7Å; L371-V376 HydrophobicContact CB-CG2 3.56Å; L371-V376 HydrophobicContact CD1-CG2 4.34Å; L371-L379 HydrophobicContact CD1-CD1 4.29Å
372	G	66.9	Low	68.1	Low	29 Å²	29	80.6 Å²	80.6	30%	0.299	42%	0.416	S	S	.	.			trans	-49.4	138.7	173.4	0	0	0	0	0	111.1	E362 E374 T375 V376	E362-G372 PolarHBondContact OE1-N 3.24Å; G372-E374 PolarHBondContact O-N 3.07Å; G372-E374 VanDerWaalsContact O-N 3.12Å; G372-T375 WeakPolarHBondContact O-CA 3.36Å; G372-T375 WeakPolarHBondContact O-CB 3.3Å; G372-T375 PolarHBondContact O-N 2.7Å; G372-V376 PolarHBondContact O-N 2.78Å
373	G	71	Confident	68.1	Low	46 Å²	46	79.4 Å²	79.4	47%	0.474	41%	0.409	S	S	.	.	H	α-helix	trans	-55.1	-34.4	-178.1	0	0	0	0	0	112.5	L371 L377	L371-G373 PolarHBondContact O-N 3.47Å; G373-L377 VanDerWaalsContact O-CG 3.27Å; G373-L377 WeakPolarHBondContact O-CG 3.35Å; G373-L377 PolarHBondContact O-N 3.44Å; G373-L377 VanDerWaalsContact O-N 3.08Å
374	E	78.5	Confident	68.4	Low	129 Å²	129	81.7 Å²	81.7	60%	0.603	42%	0.421	S	S	*	.	H	α-helix	trans	-63.3	-45.8	173.4	-166.9	-174.4	152.3	0	0	112.2	G372 L377 K378	G372-E374 PolarHBondContact O-N 3.07Å; G372-E374 VanDerWaalsContact O-N 3.12Å; E374-L377 PolarHBondContact O-N 3.37Å; E374-K378 WeakPolarHBondContact O-CG 3.38Å; E374-K378 PolarHBondContact O-N 2.76Å; E374-K378 WeakPolarHBondContact OE1-CE 3.2Å; E374-K378 IonicContact OE1-NZ 2.89Å; E374-K378 PolarHBondContact OE1-NZ 3.46Å
375	T	75.3	Confident	69.1	Low	12 Å²	12	87.7 Å²	87.7	7%	0.074	44%	0.435	C	S	.	.	H	α-helix	trans	-65.7	-40.9	179.1	-51.8	0	0	0	0	111.6	V359 E362 L371 G372 L377 K378 L379	V359-T375 HydrophobicContact CB-CG2 4.4Å; V359-T375 HydrophobicContact CG1-CG2 4.06Å; V359-T375 HydrophobicContact CG2-CG2 3.88Å; E362-T375 VanDerWaalsContact CD-OG1 3.29Å; E362-T375 PolarHBondContact OE1-OG1 3.41Å; E362-T375 WeakPolarHBondContact OE2-CB 3.28Å; E362-T375 VanDerWaalsContact OE2-CG2 3.25Å; E362-T375 WeakPolarHBondContact OE2-CG2 3.31Å; E362-T375 PolarHBondContact OE2-OG1 3.48Å; L371-T375 HydrophobicContact CD2-CG2 3.7Å; G372-T375 WeakPolarHBondContact O-CA 3.36Å; G372-T375 WeakPolarHBondContact O-CB 3.3Å; G372-T375 PolarHBondContact O-N 2.7Å; T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 3.43Å; T375-K378 PolarHBondContact O-N 3.47Å; T375-L379 WeakPolarHBondContact O-CB 3.37Å; T375-L379 WeakPolarHBondContact O-CG 3.16Å; T375-L379 PolarHBondContact O-N 2.85Å
376	V	72.6	Confident	70	Confident	23 Å²	23	85.5 Å²	85.5	14%	0.139	43%	0.426	C	S	.	.	H	α-helix	trans	-60.4	-42.4	173	176.8	0	0	0	0	111.3	L371 G372 R380	L371-V376 HydrophobicContact CB-CG2 3.56Å; L371-V376 HydrophobicContact CD1-CG2 4.34Å; G372-V376 PolarHBondContact O-N 2.78Å; V376-R380 WeakPolarHBondContact O-CG 3.3Å; V376-R380 PolarHBondContact O-N 3.28Å
377	L	75	Confident	71	Confident	106 Å²	106	78 Å²	78	56%	0.555	39%	0.391	S	S	*	.	H	α-helix	trans	-66	-44	177	-72.3	170.8	0	0	0	111.6	G373 E374 T375 L379 R380 L381	G373-L377 VanDerWaalsContact O-CG 3.27Å; G373-L377 WeakPolarHBondContact O-CG 3.35Å; G373-L377 PolarHBondContact O-N 3.44Å; G373-L377 VanDerWaalsContact O-N 3.08Å; E374-L377 PolarHBondContact O-N 3.37Å; T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 3.43Å; L377-L379 PolarHBondContact O-N 3.08Å; L377-R380 PolarHBondContact O-N 2.91Å; L377-L381 WeakPolarHBondContact O-CG 3.21Å; L377-L381 PolarHBondContact O-N 2.96Å
378	K	80.3	Confident	72	Confident	104 Å²	104	82.4 Å²	82.4	45%	0.452	40%	0.402	S	S	.	.	H	α-helix	trans	-56.1	-49.7	174	-74.5	173.6	-177.7	166.5	0	111.1	E374 T375 R380 L381 I382	E374-K378 WeakPolarHBondContact O-CG 3.38Å; E374-K378 PolarHBondContact O-N 2.76Å; E374-K378 WeakPolarHBondContact OE1-CE 3.2Å; E374-K378 IonicContact OE1-NZ 2.89Å; E374-K378 PolarHBondContact OE1-NZ 3.46Å; T375-K378 PolarHBondContact O-N 3.47Å; K378-R380 PolarHBondContact O-N 2.96Å; K378-L381 PolarHBondContact O-N 2.88Å; K378-I382 WeakPolarHBondContact O-CG1 3.45Å; K378-I382 PolarHBondContact O-N 3.06Å
379	L	75.8	Confident	73.1	Confident	32 Å²	32	85.1 Å²	85.1	17%	0.168	42%	0.416	C	S	.	.	H	α-helix	trans	-59.4	-44.1	176.9	-78.8	178.3	0	0	0	112.8	V359 L371 T375 L377 L381 I382 Y383 Y399	V359-L379 HydrophobicContact CG1-CD1 3.79Å; V359-L379 HydrophobicContact CG1-CD2 3.87Å; V359-L379 HydrophobicContact CG1-CG 4.01Å; V359-L379 HydrophobicContact CG2-CD2 4.21Å; V359-L379 HydrophobicContact CG2-CG 4.46Å; L371-L379 HydrophobicContact CD1-CD1 4.29Å; T375-L379 WeakPolarHBondContact O-CB 3.37Å; T375-L379 WeakPolarHBondContact O-CG 3.16Å; T375-L379 PolarHBondContact O-N 2.85Å; L377-L379 PolarHBondContact O-N 3.08Å; L379-L381 VanDerWaalsContact C-N 3.33Å; L379-L381 PolarHBondContact O-N 3.29Å; L379-I382 PolarHBondContact O-N 3.48Å; L379-Y383 WeakPolarHBondContact O-CB 3.42Å; L379-Y383 PolarHBondContact O-N 3.11Å; L379-Y399 HydrophobicContact CD2-CD1 4.16Å; L379-Y399 HydrophobicContact CD2-CE1 3.73Å
380	R	75.8	Confident	74	Confident	147 Å²	147	82.7 Å²	82.7	56%	0.555	40%	0.401	S	S	*	.	H	α-helix	trans	-61.3	-41.9	176.8	-78	-177.4	-173.1	-171.8	3.9	111.9	V376 L377 K378 Y383 Q384	V376-R380 WeakPolarHBondContact O-CG 3.3Å; V376-R380 PolarHBondContact O-N 3.28Å; L377-R380 PolarHBondContact O-N 2.91Å; K378-R380 PolarHBondContact O-N 2.96Å; R380-Y383 PolarHBondContact O-N 2.87Å; R380-Q384 WeakPolarHBondContact O-CB 2.92Å; R380-Q384 WeakPolarHBondContact O-CG 3.38Å; R380-Q384 PolarHBondContact O-N 3.42Å
381	L	78.3	Confident	74.9	Confident	83 Å²	83	79.4 Å²	79.4	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-43.8	177.7	-72.1	171.5	0	0	0	111.7	L377 K378 L379 Q384 R385	L377-L381 WeakPolarHBondContact O-CG 3.21Å; L377-L381 PolarHBondContact O-N 2.96Å; K378-L381 PolarHBondContact O-N 2.88Å; L379-L381 VanDerWaalsContact C-N 3.33Å; L379-L381 PolarHBondContact O-N 3.29Å; L381-Q384 PolarHBondContact O-N 2.99Å; L381-R385 WeakPolarHBondContact O-CB 3.31Å; L381-R385 VanDerWaalsContact O-CG 3.29Å; L381-R385 WeakPolarHBondContact O-CG 3.3Å; L381-R385 PolarHBondContact O-N 3.4Å
382	I	79.9	Confident	75.4	Confident	47 Å²	47	78 Å²	78	24%	0.241	39%	0.389	C	S	.	.	H	α-helix	trans	-59.5	-48.7	174.4	-67.2	165.8	0	0	0	109.8	K378 L379 Q384 R385 T386 V387 Y399	K378-I382 WeakPolarHBondContact O-CG1 3.45Å; K378-I382 PolarHBondContact O-N 3.06Å; L379-I382 PolarHBondContact O-N 3.48Å; I382-Q384 PolarHBondContact O-N 3.47Å; I382-R385 PolarHBondContact O-N 2.94Å; I382-T386 PolarHBondContact O-N 3.33Å; I382-T386 PolarHBondContact O-OG1 2.94Å; I382-V387 HydrophobicContact CG2-CG2 4.18Å; I382-Y399 HydrophobicContact CB-CE1 4.39Å; I382-Y399 HydrophobicContact CG2-CE1 3.75Å
383	Y	76.9	Confident	75.8	Confident	59 Å²	59	79.9 Å²	79.9	23%	0.231	40%	0.395	C	S	.	.	I	π-helix	trans	-58.2	-46.6	-179.5	-176.2	-98.3	0	0	0	112.6	L379 R380 R385 V387 R388 Y399	L379-Y383 WeakPolarHBondContact O-CB 3.42Å; L379-Y383 PolarHBondContact O-N 3.11Å; R380-Y383 PolarHBondContact O-N 2.87Å; Y383-R385 PolarHBondContact O-N 3.35Å; Y383-V387 HydrophobicContact CD2-CB 3.72Å; Y383-V387 HydrophobicContact CD2-CG1 3.71Å; Y383-V387 HydrophobicContact CD2-CG2 4.48Å; Y383-V387 HydrophobicContact CE2-CB 4.29Å; Y383-V387 HydrophobicContact CE2-CG1 3.87Å; Y383-V387 HydrophobicContact CG-CB 4.41Å; Y383-V387 PolarHBondContact O-N 3.38Å; Y383-R388 HydrophobicContact CE1-CB 4.43Å; Y383-R388 WeakPolarHBondContact O-CB 3.3Å; Y383-R388 PolarHBondContact O-N 3.21Å; Y383-Y399 HydrophobicContact CD2-CG 4.36Å
384	Q	76	Confident	76	Confident	129 Å²	129	79.8 Å²	79.8	60%	0.603	38%	0.381	S	S	*	.	I	π-helix	trans	-66.1	-35.2	179.9	-75.1	-180	-5.1	0	0	113.1	R380 L381 I382	R380-Q384 WeakPolarHBondContact O-CB 2.92Å; R380-Q384 WeakPolarHBondContact O-CG 3.38Å; R380-Q384 PolarHBondContact O-N 3.42Å; L381-Q384 PolarHBondContact O-N 2.99Å; I382-Q384 PolarHBondContact O-N 3.47Å
385	R	78.7	Confident	76	Confident	190 Å²	190	74.9 Å²	74.9	72%	0.717	36%	0.358	S	S	*	.	I	π-helix	trans	-84.2	-44	-174.8	-73.2	177.8	178.3	178.9	0.2	113.6	L381 I382 Y383	L381-R385 WeakPolarHBondContact O-CB 3.31Å; L381-R385 VanDerWaalsContact O-CG 3.29Å; L381-R385 WeakPolarHBondContact O-CG 3.3Å; L381-R385 PolarHBondContact O-N 3.4Å; I382-R385 PolarHBondContact O-N 2.94Å; Y383-R385 PolarHBondContact O-N 3.35Å
386	T	77	Confident	76	Confident	75 Å²	75	80.3 Å²	80.3	46%	0.46	38%	0.377	S	S	.	.	I	π-helix	trans	-120.2	-44	-167.3	59.2	0	0	0	0	112.6	I382 S390	I382-T386 PolarHBondContact O-N 3.33Å; I382-T386 PolarHBondContact O-OG1 2.94Å; T386-S390 PolarHBondContact O-N 3.32Å
387	V	75.9	Confident	76	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	39%	0.388	C	S	.	.	I	π-helix	trans	-77.3	-38.4	-169.4	-176.5	0	0	0	0	112.7	I382 Y383 L389 S390 K395 R396 Y399	I382-V387 HydrophobicContact CG2-CG2 4.18Å; Y383-V387 HydrophobicContact CD2-CB 3.72Å; Y383-V387 HydrophobicContact CD2-CG1 3.71Å; Y383-V387 HydrophobicContact CD2-CG2 4.48Å; Y383-V387 HydrophobicContact CE2-CB 4.29Å; Y383-V387 HydrophobicContact CE2-CG1 3.87Å; Y383-V387 HydrophobicContact CG-CB 4.41Å; Y383-V387 PolarHBondContact O-N 3.38Å; V387-L389 PolarHBondContact O-N 2.86Å; V387-L389 VanDerWaalsContact O-N 3.13Å; V387-S390 VanDerWaalsContact O-CB 3.25Å; V387-S390 WeakPolarHBondContact O-CB 3.47Å; V387-S390 PolarHBondContact O-N 3.1Å; V387-K395 HydrophobicContact CG1-CG 4.15Å; V387-R396 HydrophobicContact CG1-CG 4.15Å; V387-R396 WeakPolarHBondContact O-CG 3.37Å; V387-Y399 HydrophobicContact CG1-CD2 4.18Å; V387-Y399 HydrophobicContact CG1-CG 4.2Å; V387-Y399 HydrophobicContact CG2-CD1 4.08Å; V387-Y399 HydrophobicContact CG2-CD2 3.9Å; V387-Y399 HydrophobicContact CG2-CE1 4.2Å; V387-Y399 HydrophobicContact CG2-CE2 4.04Å; V387-Y399 HydrophobicContact CG2-CG 3.93Å
388	R	72.3	Confident	75.8	Confident	175 Å²	175	77.9 Å²	77.9	66%	0.66	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.7	-177.7	-175.8	177.7	174.6	-173.3	-1	113.2	Y383	Y383-R388 HydrophobicContact CE1-CB 4.43Å; Y383-R388 WeakPolarHBondContact O-CB 3.3Å; Y383-R388 PolarHBondContact O-N 3.21Å
389	L	74.2	Confident	75.1	Confident	152 Å²	152	74.8 Å²	74.8	80%	0.796	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-0	-179.5	-63.2	173.6	0	0	0	113.3	V387	V387-L389 PolarHBondContact O-N 2.86Å; V387-L389 VanDerWaalsContact O-N 3.13Å
390	S	74.2	Confident	74.5	Confident	13 Å²	13	80.2 Å²	80.2	9%	0.091	38%	0.376	C	S	.	.			trans	-63.6	137.1	179.1	177.7	0	0	0	0	111.3	T386 V387 D392 K395 R396	T386-S390 PolarHBondContact O-N 3.32Å; V387-S390 VanDerWaalsContact O-CB 3.25Å; V387-S390 WeakPolarHBondContact O-CB 3.47Å; V387-S390 PolarHBondContact O-N 3.1Å; S390-D392 VanDerWaalsContact C-N 3.29Å; S390-D392 PolarHBondContact OG-N 3.47Å; S390-D392 VanDerWaalsContact OG-N 3.13Å; S390-K395 WeakPolarHBondContact OG-CD 3.33Å; S390-R396 WeakPolarHBondContact O-CD 3.5Å
391	S	74.4	Confident	73.2	Confident	88 Å²	88	82.4 Å²	82.4	62%	0.615	39%	0.385	S	S	*	.	S	Bend	trans	-70.9	-27.4	170.2	58.1	0	0	0	0	112.1	G315 P393	G315-S391 WeakPolarHBondContact O-CB 3.49Å; G315-S391 PolarHBondContact O-OG 3.45Å; S391-P393 WeakPolarHBondContact O-CD 3.48Å
392	D	73.6	Confident	71.6	Confident	0 Å²	0	81 Å²	81	0%	0	38%	0.382	C	S	.	.			trans	-71.8	116.1	-179	-170.5	-41.1	0	0	0	111.7	E317 S390 Y394 K395 R396	E317-D392 HydrophobicContact CG-CB 4.13Å; S390-D392 VanDerWaalsContact C-N 3.29Å; S390-D392 PolarHBondContact OG-N 3.47Å; S390-D392 VanDerWaalsContact OG-N 3.13Å; D392-Y394 WeakPolarHBondContact OD1-CA 3.4Å; D392-Y394 WeakPolarHBondContact OD1-CB 3.47Å; D392-Y394 PolarHBondContact OD1-N 3.41Å; D392-K395 HydrophobicContact CB-CB 3.92Å; D392-K395 PolarHBondContact OD1-N 2.84Å; D392-R396 PolarHBondContact O-N 2.67Å
393	P	75.9	Confident	70.3	Confident	67 Å²	67	86 Å²	86	44%	0.435	40%	0.404	S	S	.	.	H	α-helix	trans	-71	-32.6	-179.6	29	-34.1	0	0	0	112.8	Y316 S391 R396 A397	Y316-P393 HydrophobicContact CE1-CG 4.07Å; S391-P393 WeakPolarHBondContact O-CD 3.48Å; P393-R396 PolarHBondContact O-N 3.31Å; P393-A397 WeakPolarHBondContact O-CB 3.2Å; P393-A397 PolarHBondContact O-N 3.14Å
394	Y	76.3	Confident	69.4	Low	45 Å²	45	88.2 Å²	88.2	18%	0.176	42%	0.419	C	S	.	.	H	α-helix	trans	-69	-39.7	178.4	-67	-72.3	0	0	0	110.8	M309 Y316 A328 Y331 D392 R396 A397 V398	M309-Y394 HydrophobicContact SD-CE2 4.23Å; Y316-Y394 HydrophobicContact CD1-CD2 4.22Å; Y316-Y394 AromaticContact CE1-CD2 3.62Å; Y316-Y394 HydrophobicContact CE1-CD2 3.62Å; Y316-Y394 AromaticContact CE1-CE2 3.65Å; Y316-Y394 HydrophobicContact CE1-CE2 3.65Å; A328-Y394 HydrophobicContact CB-CD2 3.64Å; A328-Y394 HydrophobicContact CB-CE2 3.68Å; A328-Y394 HydrophobicContact CB-CG 4.09Å; Y331-Y394 AromaticContact CD1-CD1 3.52Å; Y331-Y394 HydrophobicContact CD1-CD1 3.52Å; Y331-Y394 AromaticContact CD1-CE1 3.65Å; Y331-Y394 HydrophobicContact CD1-CE1 3.65Å; Y331-Y394 HydrophobicContact CD2-CD1 4.36Å; Y331-Y394 HydrophobicContact CE1-CD1 4.21Å; Y331-Y394 HydrophobicContact CE1-CE1 4.08Å; Y331-Y394 AromaticContact CG-CD1 3.61Å; Y331-Y394 HydrophobicContact CG-CD1 3.61Å; Y331-Y394 HydrophobicContact CG-CE1 4.23Å; D392-Y394 WeakPolarHBondContact OD1-CA 3.4Å; D392-Y394 WeakPolarHBondContact OD1-CB 3.47Å; D392-Y394 PolarHBondContact OD1-N 3.41Å; Y394-R396 VanDerWaalsContact C-N 3.28Å; Y394-R396 PolarHBondContact O-N 3.23Å; Y394-A397 PolarHBondContact O-N 3.17Å; Y394-A397 VanDerWaalsContact O-N 3.17Å; Y394-V398 VanDerWaalsContact O-CG2 3.3Å; Y394-V398 WeakPolarHBondContact O-CG2 3.48Å; Y394-V398 PolarHBondContact O-N 2.83Å
395	K	78.2	Confident	68.5	Low	26 Å²	26	87.6 Å²	87.6	11%	0.113	42%	0.416	C	S	.	.	H	α-helix	trans	-57.5	-43.8	172.6	-172	176.2	-170.3	163.6	0	111.6	E317 W327 V387 S390 D392 Y399	E317-K395 WeakPolarHBondContact OE1-CD 3.47Å; E317-K395 IonicContact OE1-NZ 3.85Å; E317-K395 PolarHBondContact OE1-NZ 3.16Å; E317-K395 WeakPolarHBondContact OE2-CD 3.28Å; E317-K395 IonicContact OE2-NZ 3.08Å; E317-K395 PolarHBondContact OE2-NZ 3.1Å; W327-K395 HydrophobicContact CB-CB 4.32Å; W327-K395 HydrophobicContact CD2-CB 3.74Å; W327-K395 HydrophobicContact CD2-CD 4.4Å; W327-K395 HydrophobicContact CD2-CG 3.8Å; W327-K395 HydrophobicContact CE3-CB 4.34Å; W327-K395 HydrophobicContact CE3-CG 4.27Å; W327-K395 HydrophobicContact CG-CB 3.7Å; W327-K395 HydrophobicContact CG-CG 4.24Å; W327-K395 HydrophobicContact CH2-CG 4.28Å; W327-K395 HydrophobicContact CZ2-CD 3.91Å; W327-K395 HydrophobicContact CZ2-CG 3.76Å; V387-K395 HydrophobicContact CG1-CG 4.15Å; S390-K395 WeakPolarHBondContact OG-CD 3.33Å; D392-K395 HydrophobicContact CB-CB 3.92Å; D392-K395 PolarHBondContact OD1-N 2.84Å; K395-Y399 WeakPolarHBondContact O-CD2 3.46Å; K395-Y399 PolarHBondContact O-N 3.08Å
396	R	75.5	Confident	67.5	Low	125 Å²	125	84.9 Å²	84.9	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-64.9	-41.6	177	-71.4	175.3	59.6	-164.8	-3.3	111.9	V387 S390 D392 P393 Y394 Y399 Y400	V387-R396 HydrophobicContact CG1-CG 4.15Å; V387-R396 WeakPolarHBondContact O-CG 3.37Å; S390-R396 WeakPolarHBondContact O-CD 3.5Å; D392-R396 PolarHBondContact O-N 2.67Å; P393-R396 PolarHBondContact O-N 3.31Å; Y394-R396 VanDerWaalsContact C-N 3.28Å; Y394-R396 PolarHBondContact O-N 3.23Å; R396-Y399 PolarHBondContact O-N 2.95Å; R396-Y400 WeakPolarHBondContact O-CB 3.4Å; R396-Y400 PolarHBondContact O-N 3.03Å
397	A	71.5	Confident	66.6	Low	46 Å²	46	83 Å²	83	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-63.1	-44.9	179.4	0	0	0	0	0	112.2	Y331 P393 Y394 Y399 Y400	Y331-A397 HydrophobicContact CD2-CB 4.03Å; Y331-A397 HydrophobicContact CE2-CB 3.97Å; P393-A397 WeakPolarHBondContact O-CB 3.2Å; P393-A397 PolarHBondContact O-N 3.14Å; Y394-A397 PolarHBondContact O-N 3.17Å; Y394-A397 VanDerWaalsContact O-N 3.17Å; A397-Y399 VanDerWaalsContact C-N 3.26Å; A397-Y399 PolarHBondContact O-N 3.19Å; A397-Y400 PolarHBondContact O-N 3.49Å; A397-Y400 VanDerWaalsContact O-N 3.13Å
398	V	71.2	Confident	65.8	Low	32 Å²	32	83.6 Å²	83.6	19%	0.194	40%	0.402	C	S	.	.	H	α-helix	trans	-60.7	-32.9	-179.4	170.3	0	0	0	0	112.5	W327 I330 Y331 L334 F356 Y394	W327-V398 HydrophobicContact CE3-CB 4.45Å; W327-V398 HydrophobicContact CE3-CG1 4.5Å; W327-V398 HydrophobicContact CE3-CG2 4.41Å; W327-V398 HydrophobicContact CZ3-CG1 4.15Å; I330-V398 HydrophobicContact CG2-CG2 4.38Å; Y331-V398 HydrophobicContact CD2-CG2 4.27Å; L334-V398 HydrophobicContact CD1-CG1 4.03Å; L334-V398 HydrophobicContact CD1-CG2 4.36Å; F356-V398 HydrophobicContact CE1-CG1 4.37Å; F356-V398 HydrophobicContact CE2-CG1 3.72Å; F356-V398 HydrophobicContact CZ-CG1 3.36Å; Y394-V398 VanDerWaalsContact O-CG2 3.3Å; Y394-V398 WeakPolarHBondContact O-CG2 3.48Å; Y394-V398 PolarHBondContact O-N 2.83Å
399	Y	65.8	Low	65.1	Low	40 Å²	40	75.6 Å²	75.6	16%	0.157	37%	0.372	C	S	.	.	H	α-helix	trans	-93.6	-6	178.2	-77.3	-103.1	0	0	0	114.5	W327 F356 L379 I382 Y383 V387 K395 R396 A397	W327-Y399 AromaticContact CH2-CE2 3.72Å; W327-Y399 HydrophobicContact CH2-CE2 3.72Å; W327-Y399 AromaticContact CZ3-CE2 3.94Å; W327-Y399 HydrophobicContact CZ3-CE2 3.94Å; F356-Y399 HydrophobicContact CD2-CE2 4.11Å; F356-Y399 AromaticContact CD2-CZ 3.8Å; F356-Y399 WeakPolarHBondContact CD2-OH 3.31Å; F356-Y399 HydrophobicContact CE2-CE2 4.13Å; L379-Y399 HydrophobicContact CD2-CD1 4.16Å; L379-Y399 HydrophobicContact CD2-CE1 3.73Å; I382-Y399 HydrophobicContact CB-CE1 4.39Å; I382-Y399 HydrophobicContact CG2-CE1 3.75Å; Y383-Y399 HydrophobicContact CD2-CG 4.36Å; V387-Y399 HydrophobicContact CG1-CD2 4.18Å; V387-Y399 HydrophobicContact CG1-CG 4.2Å; V387-Y399 HydrophobicContact CG2-CD1 4.08Å; V387-Y399 HydrophobicContact CG2-CD2 3.9Å; V387-Y399 HydrophobicContact CG2-CE1 4.2Å; V387-Y399 HydrophobicContact CG2-CE2 4.04Å; V387-Y399 HydrophobicContact CG2-CG 3.93Å; K395-Y399 WeakPolarHBondContact O-CD2 3.46Å; K395-Y399 PolarHBondContact O-N 3.08Å; R396-Y399 PolarHBondContact O-N 2.95Å; A397-Y399 VanDerWaalsContact C-N 3.26Å; A397-Y399 PolarHBondContact O-N 3.19Å
400	Y	62.6	Low	64.5	Low	145 Å²	145	74.2 Å²	74.2	57%	0.569	36%	0.362	S	S	*	.			trans	-75.7	135.1	-169.9	-173.4	-114	0	0	0	112.6	R396 A397 S402	R396-Y400 WeakPolarHBondContact O-CB 3.4Å; R396-Y400 PolarHBondContact O-N 3.03Å; A397-Y400 PolarHBondContact O-N 3.49Å; A397-Y400 VanDerWaalsContact O-N 3.13Å; Y400-S402 WeakPolarHBondContact CE1-OG 3.32Å; Y400-S402 WeakPolarHBondContact OH-CB 3.1Å
401	R	47.8	Very low	63.5	Low	194 Å²	194	76.9 Å²	76.9	73%	0.732	38%	0.378	S	S	*	.			trans	-124.5	118.5	170.8	-178.3	176.6	171.3	151.1	-1.1	109.2
402	S	46.6	Very low	62.7	Low	54 Å²	54	77.5 Å²	77.5	38%	0.378	37%	0.367	S	S	.	.			trans	-126.8	158.9	170.5	60.7	0	0	0	0	112	Y400 L404	Y400-S402 WeakPolarHBondContact CE1-OG 3.32Å; Y400-S402 WeakPolarHBondContact OH-CB 3.1Å; S402-L404 PolarHBondContact O-N 2.97Å
403	H	50.8	Low	62	Low	150 Å²	150	78 Å²	78	69%	0.694	37%	0.373	S	S	*	.			trans	-81.9	103.1	175	-71.9	79.7	0	0	0	109.1	T407	H403-T407 WeakPolarHBondContact O-CB 3.49Å; H403-T407 PolarHBondContact O-N 3.23Å; H403-T407 PolarHBondContact O-OG1 3.35Å
404	L	58.1	Low	61.5	Low	107 Å²	107	77.3 Å²	77.3	56%	0.56	36%	0.363	S	S	*	.	H	α-helix	trans	-63.5	-50.6	-168.5	-174.6	65.6	0	0	0	113.8	S402 K406 T407 V408	S402-L404 PolarHBondContact O-N 2.97Å; L404-K406 PolarHBondContact O-N 3.32Å; L404-T407 PolarHBondContact O-N 3.01Å; L404-V408 HydrophobicContact CD1-CG2 4.08Å; L404-V408 HydrophobicContact CG-CG2 4.35Å; L404-V408 WeakPolarHBondContact O-CG2 2.76Å; L404-V408 PolarHBondContact O-N 3.33Å
405	Q	57.6	Low	60.6	Low	116 Å²	116	75.9 Å²	75.9	54%	0.542	36%	0.36	S	S	.	.	H	α-helix	trans	-60.7	-50.4	-170.1	-76.4	176.5	-16.3	0	0	113.6	T407 V408 S409 S433 Q435	Q405-T407 VanDerWaalsContact C-N 3.29Å; Q405-T407 PolarHBondContact O-N 3.42Å; Q405-V408 PolarHBondContact O-N 3.43Å; Q405-S409 PolarHBondContact O-N 3.44Å; Q405-S409 PolarHBondContact O-OG 2.96Å; Q405-S433 WeakPolarHBondContact CG-O 3.28Å; Q405-S433 PolarHBondContact NE2-O 2.91Å; Q405-Q435 PolarHBondContact O-NE2 3.23Å
406	K	58.9	Low	59.6	Low	132 Å²	132	78.9 Å²	78.9	57%	0.574	37%	0.371	S	S	*	.	H	α-helix	trans	-62.2	-39.8	176.7	-71.2	-169.2	176.6	-171.3	0	111.5	L404 V408 E410 T411	L404-K406 PolarHBondContact O-N 3.32Å; K406-V408 VanDerWaalsContact C-N 3.34Å; K406-V408 PolarHBondContact O-N 3.36Å; K406-E410 WeakPolarHBondContact O-CA 3.37Å; K406-E410 WeakPolarHBondContact O-CB 3.3Å; K406-E410 PolarHBondContact O-N 2.88Å; K406-T411 PolarHBondContact O-N 3.43Å
407	T	57.9	Low	58.8	Low	35 Å²	35	74.1 Å²	74.1	22%	0.215	35%	0.354	C	S	.	.	I	π-helix	trans	-63.9	-41.4	-178.7	-48.1	0	0	0	0	111.5	H403 L404 Q405 T411 Y412	H403-T407 WeakPolarHBondContact O-CB 3.49Å; H403-T407 PolarHBondContact O-N 3.23Å; H403-T407 PolarHBondContact O-OG1 3.35Å; L404-T407 PolarHBondContact O-N 3.01Å; Q405-T407 VanDerWaalsContact C-N 3.29Å; Q405-T407 PolarHBondContact O-N 3.42Å; T407-T411 WeakPolarHBondContact O-CA 3.21Å; T407-T411 WeakPolarHBondContact O-CB 3.31Å; T407-T411 PolarHBondContact O-N 3.36Å; T407-Y412 HydrophobicContact CG2-CD2 3.85Å; T407-Y412 HydrophobicContact CG2-CE2 3.38Å; T407-Y412 VanDerWaalsContact O-CD2 3.22Å; T407-Y412 WeakPolarHBondContact O-CD2 3.37Å; T407-Y412 PolarHBondContact O-N 3.22Å
408	V	58.2	Low	58.3	Low	13 Å²	13	75.1 Å²	75.1	8%	0.079	35%	0.353	C	S	.	.	I	π-helix	trans	-65.4	-49	-179.3	174.5	0	0	0	0	112.2	L404 Q405 K406 G413 A429 L430	L404-V408 HydrophobicContact CD1-CG2 4.08Å; L404-V408 HydrophobicContact CG-CG2 4.35Å; L404-V408 WeakPolarHBondContact O-CG2 2.76Å; L404-V408 PolarHBondContact O-N 3.33Å; Q405-V408 PolarHBondContact O-N 3.43Å; K406-V408 VanDerWaalsContact C-N 3.34Å; K406-V408 PolarHBondContact O-N 3.36Å; V408-G413 PolarHBondContact O-N 3.5Å; V408-G413 VanDerWaalsContact O-N 3.08Å; V408-A429 HydrophobicContact CG1-CB 3.93Å; V408-L430 HydrophobicContact CG1-CD2 4.35Å
409	S	58.5	Low	57.2	Low	7 Å²	7	78.5 Å²	78.5	5%	0.049	37%	0.365	C	S	.	.	I	π-helix	trans	-95.5	-31	-171.4	59.8	0	0	0	0	115.2	R139 Q405 Q435	R139-S409 PolarHBondContact NH2-O 2.95Å; Q405-S409 PolarHBondContact O-N 3.44Å; Q405-S409 PolarHBondContact O-OG 2.96Å; S409-Q435 PolarHBondContact OG-OE1 3.48Å
410	E	60.1	Low	56.4	Low	124 Å²	124	80.6 Å²	80.6	58%	0.579	40%	0.399	S	S	*	.	I	π-helix	trans	-90.6	-38.7	179.1	-56.5	175.8	174.9	0	0	111.4	K406	K406-E410 WeakPolarHBondContact O-CA 3.37Å; K406-E410 WeakPolarHBondContact O-CB 3.3Å; K406-E410 PolarHBondContact O-N 2.88Å
411	T	54.4	Low	56	Low	68 Å²	68	75.6 Å²	75.6	42%	0.417	39%	0.385	S	S	.	.	I	π-helix	trans	-93.7	-47.3	-173.2	-41.8	0	0	0	0	113.7	K406 T407	K406-T411 PolarHBondContact O-N 3.43Å; T407-T411 WeakPolarHBondContact O-CA 3.21Å; T407-T411 WeakPolarHBondContact O-CB 3.31Å; T407-T411 PolarHBondContact O-N 3.36Å
412	Y	57.8	Low	56.9	Low	102 Å²	102	69.8 Å²	69.8	40%	0.4	37%	0.371	S	S	.	.	I	π-helix	trans	-87.7	-52	-177.5	-68.4	-65.7	0	0	0	112.6	T407 Y416	T407-Y412 HydrophobicContact CG2-CD2 3.85Å; T407-Y412 HydrophobicContact CG2-CE2 3.38Å; T407-Y412 VanDerWaalsContact O-CD2 3.22Å; T407-Y412 WeakPolarHBondContact O-CD2 3.37Å; T407-Y412 PolarHBondContact O-N 3.22Å; Y412-Y416 AromaticContact CD1-CD1 3.99Å; Y412-Y416 HydrophobicContact CD1-CD1 3.99Å; Y412-Y416 AromaticContact CD1-CD2 3.93Å; Y412-Y416 HydrophobicContact CD1-CD2 3.93Å; Y412-Y416 HydrophobicContact CD1-CE1 4.15Å; Y412-Y416 HydrophobicContact CD1-CE2 4.1Å; Y412-Y416 AromaticContact CD1-CG 3.87Å; Y412-Y416 HydrophobicContact CD1-CG 3.87Å; Y412-Y416 HydrophobicContact CE1-CE2 4.3Å; Y412-Y416 HydrophobicContact CG-CD1 4.32Å; Y412-Y416 HydrophobicContact CG-CG 4.43Å; Y412-Y416 VanDerWaalsContact O-CB 3.31Å; Y412-Y416 WeakPolarHBondContact O-CB 3.41Å
413	G	58.5	Low	58.5	Low	11 Å²	11	68.9 Å²	68.9	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	60.8	178	178	0	0	0	0	0	114.6	V408 S415 Y416 F417	V408-G413 PolarHBondContact O-N 3.5Å; V408-G413 VanDerWaalsContact O-N 3.08Å; G413-S415 VanDerWaalsContact C-N 3.34Å; G413-S415 PolarHBondContact O-N 2.97Å; G413-Y416 PolarHBondContact O-N 3.13Å; G413-F417 VanDerWaalsContact O-CD2 3.28Å; G413-F417 WeakPolarHBondContact O-CD2 3.49Å
414	E	65.7	Low	60	Low	51 Å²	51	62.3 Å²	62.3	24%	0.238	33%	0.333	C	S	.	.	H	α-helix	trans	-54.5	-46.3	-176.2	-74.7	169.3	-145.6	0	0	113.3	Y416 F417 D418 Y426 Y442 R445	E414-Y416 PolarHBondContact O-N 2.7Å; E414-Y416 VanDerWaalsContact O-N 3.16Å; E414-F417 CarbonylContact O-C 3.6Å; E414-F417 PolarHBondContact O-N 3.1Å; E414-D418 PolarHBondContact O-N 3.28Å; E414-Y426 HydrophobicContact CB-CD1 4.44Å; E414-Y426 HydrophobicContact CB-CE1 4.16Å; E414-Y426 HydrophobicContact CG-CD1 3.55Å; E414-Y426 HydrophobicContact CG-CE1 3.04Å; E414-Y426 HydrophobicContact CG-CE2 4.43Å; E414-Y426 HydrophobicContact CG-CG 4.37Å; E414-Y442 HydrophobicContact CB-CE2 4.41Å; E414-Y442 HydrophobicContact CG-CD2 3.71Å; E414-Y442 HydrophobicContact CG-CE2 3.65Å; E414-R445 VanDerWaalsContact CD-NH2 3.3Å; E414-R445 IonicContact OE1-CZ 2.94Å; E414-R445 IonicContact OE1-NH1 3.48Å; E414-R445 IonicContact OE1-NH2 2.99Å; E414-R445 PolarHBondContact OE1-NH2 2.9Å; E414-R445 IonicContact OE2-CZ 2.69Å; E414-R445 IonicContact OE2-NH1 3.22Å; E414-R445 PolarHBondContact OE2-NH1 3.41Å; E414-R445 IonicContact OE2-NH2 2.92Å; E414-R445 PolarHBondContact OE2-NH2 2.9Å
415	S	57.3	Low	61	Low	15 Å²	15	59 Å²	59	11%	0.105	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-25.3	-173.3	50.1	0	0	0	0	114	W143 G413 K419	W143-S415 VanDerWaalsContact CE2-CB 3.41Å; W143-S415 WeakPolarHBondContact CH2-O 3.45Å; W143-S415 VanDerWaalsContact CZ2-CB 3.49Å; W143-S415 WeakPolarHBondContact CZ2-O 3.31Å; W143-S415 PolarHBondContact NE1-OG 3.37Å; G413-S415 VanDerWaalsContact C-N 3.34Å; G413-S415 PolarHBondContact O-N 2.97Å; S415-K419 WeakPolarHBondContact O-CG 3.36Å
416	Y	56.9	Low	62.2	Low	90 Å²	90	54 Å²	54	35%	0.353	29%	0.292	S	S	.	.	H	α-helix	trans	-68.6	-38.9	171.8	179.4	-98.8	0	0	0	111.8	F160 Y412 G413 E414	F160-Y416 HydrophobicContact CE2-CE1 4.19Å; F160-Y416 WeakPolarHBondContact CE2-OH 3.35Å; F160-Y416 HydrophobicContact CZ-CE1 4.21Å; Y412-Y416 AromaticContact CD1-CD1 3.99Å; Y412-Y416 HydrophobicContact CD1-CD1 3.99Å; Y412-Y416 AromaticContact CD1-CD2 3.93Å; Y412-Y416 HydrophobicContact CD1-CD2 3.93Å; Y412-Y416 HydrophobicContact CD1-CE1 4.15Å; Y412-Y416 HydrophobicContact CD1-CE2 4.1Å; Y412-Y416 AromaticContact CD1-CG 3.87Å; Y412-Y416 HydrophobicContact CD1-CG 3.87Å; Y412-Y416 HydrophobicContact CE1-CE2 4.3Å; Y412-Y416 HydrophobicContact CG-CD1 4.32Å; Y412-Y416 HydrophobicContact CG-CG 4.43Å; Y412-Y416 VanDerWaalsContact O-CB 3.31Å; Y412-Y416 WeakPolarHBondContact O-CB 3.41Å; G413-Y416 PolarHBondContact O-N 3.13Å; E414-Y416 PolarHBondContact O-N 2.7Å; E414-Y416 VanDerWaalsContact O-N 3.16Å
417	F	58.8	Low	63.5	Low	25 Å²	25	47.8 Å²	47.8	11%	0.11	27%	0.265	C	S	.	.	H	α-helix	trans	-93.6	-18.3	-173.6	-65.2	-81.3	0	0	0	113.5	G413 E414 K419 S421 I425 Y426 A429	G413-F417 VanDerWaalsContact O-CD2 3.28Å; G413-F417 WeakPolarHBondContact O-CD2 3.49Å; E414-F417 CarbonylContact O-C 3.6Å; E414-F417 PolarHBondContact O-N 3.1Å; F417-K419 VanDerWaalsContact C-N 3.34Å; F417-S421 WeakPolarHBondContact O-CB 3.08Å; F417-I425 HydrophobicContact CD1-CG2 3.65Å; F417-I425 HydrophobicContact CE1-CG2 4.26Å; F417-Y426 HydrophobicContact CB-CD2 4.08Å; F417-Y426 HydrophobicContact CB-CG 4.23Å; F417-Y426 AromaticContact CD2-CD2 3.21Å; F417-Y426 HydrophobicContact CD2-CD2 3.21Å; F417-Y426 AromaticContact CD2-CE2 3.83Å; F417-Y426 HydrophobicContact CD2-CE2 3.83Å; F417-Y426 HydrophobicContact CD2-CG 4.17Å; F417-Y426 AromaticContact CE2-CD2 3.74Å; F417-Y426 HydrophobicContact CE2-CD2 3.74Å; F417-Y426 HydrophobicContact CE2-CE2 4.09Å; F417-Y426 AromaticContact CG-CD2 3.84Å; F417-Y426 HydrophobicContact CG-CD2 3.84Å; F417-Y426 HydrophobicContact CG-CG 4.43Å; F417-A429 HydrophobicContact CE1-CB 4.18Å; F417-A429 HydrophobicContact CE2-CB 4.38Å; F417-A429 HydrophobicContact CZ-CB 3.91Å
418	D	60.2	Low	64.8	Low	66 Å²	66	46.8 Å²	46.8	35%	0.353	26%	0.259	S	S	.	.	S	Bend	trans	-83.6	-7.7	177.1	-72.2	-16.6	0	0	0	112.9	E414 G420 Y442	E414-D418 PolarHBondContact O-N 3.28Å; D418-G420 VanDerWaalsContact C-N 3.27Å; D418-G420 PolarHBondContact O-N 2.91Å; D418-Y442 PolarHBondContact OD1-OH 3.01Å
419	K	49.7	Very low	65.9	Low	104 Å²	104	47.1 Å²	47.1	45%	0.452	26%	0.263	S	S	.	.	S	Bend	trans	-69.3	77.8	176.6	-78.8	-172.2	-175.2	-174.6	0	112.1	W143 D147 S415 F417	W143-K419 HydrophobicContact CH2-CD 4.2Å; W143-K419 HydrophobicContact CH2-CG 4.34Å; W143-K419 HydrophobicContact CZ2-CD 4.34Å; D147-K419 IonicContact OD1-NZ 2.6Å; D147-K419 PolarHBondContact OD1-NZ 3.42Å; D147-K419 IonicContact OD2-NZ 2.79Å; D147-K419 PolarHBondContact OD2-NZ 3.03Å; S415-K419 WeakPolarHBondContact O-CG 3.36Å; F417-K419 VanDerWaalsContact C-N 3.34Å
420	G	47.4	Very low	67.2	Low	84 Å²	84	46.8 Å²	46.8	87%	0.866	26%	0.261	S	S	*	.	S	Bend	trans	82.4	12.6	175.3	0	0	0	0	0	114.5	D418	D418-G420 VanDerWaalsContact C-N 3.27Å; D418-G420 PolarHBondContact O-N 2.91Å
421	S	55	Low	68.5	Low	40 Å²	40	41 Å²	41	28%	0.28	23%	0.234	S	C	.	.			trans	-116	148.6	-174.3	-92.8	0	0	0	0	111.7	F417 I425	F417-S421 WeakPolarHBondContact O-CB 3.08Å; S421-I425 VanDerWaalsContact OG-CD1 3.24Å; S421-I425 WeakPolarHBondContact OG-CD1 3.15Å
422	T	67.4	Low	70	Confident	71 Å²	71	38.8 Å²	38.8	44%	0.436	22%	0.219	S	C	.	.			trans	-66.2	141	-179.1	43.1	0	0	0	0	109.8	I424 I425	T422-I424 PolarHBondContact O-N 3.29Å; T422-I424 VanDerWaalsContact OG1-CG2 3.26Å; T422-I424 WeakPolarHBondContact OG1-CG2 3.24Å; T422-I425 PolarHBondContact O-N 2.9Å
423	V	78.7	Confident	71.2	Confident	36 Å²	36	34.2 Å²	34.2	22%	0.218	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.8	-28.5	177.9	179.9	0	0	0	0	112.8	I425 F427 Y442 H446 L450	V423-I425 VanDerWaalsContact C-N 3.26Å; V423-I425 PolarHBondContact O-N 3.23Å; V423-F427 PolarHBondContact O-N 3.26Å; V423-Y442 HydrophobicContact CB-CE1 4.48Å; V423-Y442 HydrophobicContact CG1-CD1 4.31Å; V423-Y442 HydrophobicContact CG1-CE1 3.43Å; V423-Y442 VanDerWaalsContact CG1-CE1 3.43Å; V423-Y442 VanDerWaalsContact O-CE1 3.32Å; V423-Y442 WeakPolarHBondContact O-CE1 3.31Å; V423-H446 HydrophobicContact CG1-CB 4.24Å; V423-H446 HydrophobicContact CG2-CB 4.5Å; V423-L450 HydrophobicContact CB-CD1 4.26Å; V423-L450 HydrophobicContact CG1-CD1 3.75Å
424	I	82.4	Confident	72.3	Confident	11 Å²	11	34 Å²	34	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-29.4	177.2	-157.1	68.7	0	0	0	114.3	I227 K230 L231 Y234 T422 F427 S428	I227-I424 HydrophobicContact CG2-CD1 4.41Å; K230-I424 HydrophobicContact CB-CD1 4.23Å; K230-I424 HydrophobicContact CB-CG1 4.05Å; L231-I424 HydrophobicContact CB-CD1 3.71Å; L231-I424 HydrophobicContact CG-CD1 4.42Å; Y234-I424 HydrophobicContact CE2-CG1 4.07Å; T422-I424 PolarHBondContact O-N 3.29Å; T422-I424 VanDerWaalsContact OG1-CG2 3.26Å; T422-I424 WeakPolarHBondContact OG1-CG2 3.24Å; I424-F427 HydrophobicContact CD1-CD1 3.9Å; I424-S428 VanDerWaalsContact O-CB 3.26Å; I424-S428 WeakPolarHBondContact O-CB 3.24Å; I424-S428 PolarHBondContact O-N 3.45Å; I424-S428 PolarHBondContact O-OG 2.85Å; I424-S428 VanDerWaalsContact O-OG 3.13Å
425	I	80.4	Confident	73.2	Confident	39 Å²	39	32.9 Å²	32.9	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-51.7	-174.2	-55.8	-166.5	0	0	0	110.1	F417 S421 T422 V423 F427 S428 A429	F417-I425 HydrophobicContact CD1-CG2 3.65Å; F417-I425 HydrophobicContact CE1-CG2 4.26Å; S421-I425 VanDerWaalsContact OG-CD1 3.24Å; S421-I425 WeakPolarHBondContact OG-CD1 3.15Å; T422-I425 PolarHBondContact O-N 2.9Å; V423-I425 VanDerWaalsContact C-N 3.26Å; V423-I425 PolarHBondContact O-N 3.23Å; I425-F427 VanDerWaalsContact C-N 3.33Å; I425-F427 PolarHBondContact O-N 3.42Å; I425-S428 PolarHBondContact O-N 3.48Å; I425-S428 PolarHBondContact O-OG 3.07Å; I425-A429 PolarHBondContact O-N 3.4Å
426	Y	81.9	Confident	74.7	Confident	11 Å²	11	32.1 Å²	32.1	4%	0.043	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-40.3	177.4	-172.2	-120.9	0	0	0	112.2	E414 F417 S428 A429 L430 Y442	E414-Y426 HydrophobicContact CB-CD1 4.44Å; E414-Y426 HydrophobicContact CB-CE1 4.16Å; E414-Y426 HydrophobicContact CG-CD1 3.55Å; E414-Y426 HydrophobicContact CG-CE1 3.04Å; E414-Y426 HydrophobicContact CG-CE2 4.43Å; E414-Y426 HydrophobicContact CG-CG 4.37Å; F417-Y426 HydrophobicContact CB-CD2 4.08Å; F417-Y426 HydrophobicContact CB-CG 4.23Å; F417-Y426 AromaticContact CD2-CD2 3.21Å; F417-Y426 HydrophobicContact CD2-CD2 3.21Å; F417-Y426 AromaticContact CD2-CE2 3.83Å; F417-Y426 HydrophobicContact CD2-CE2 3.83Å; F417-Y426 HydrophobicContact CD2-CG 4.17Å; F417-Y426 AromaticContact CE2-CD2 3.74Å; F417-Y426 HydrophobicContact CE2-CD2 3.74Å; F417-Y426 HydrophobicContact CE2-CE2 4.09Å; F417-Y426 AromaticContact CG-CD2 3.84Å; F417-Y426 HydrophobicContact CG-CD2 3.84Å; F417-Y426 HydrophobicContact CG-CG 4.43Å; Y426-S428 VanDerWaalsContact C-N 3.31Å; Y426-S428 PolarHBondContact O-N 3.37Å; Y426-A429 PolarHBondContact O-N 2.87Å; Y426-L430 HydrophobicContact CD1-CD1 3.73Å; Y426-L430 HydrophobicContact CD1-CG 4.26Å; Y426-L430 HydrophobicContact CD2-CG 4.39Å; Y426-L430 HydrophobicContact CE1-CD1 3.27Å; Y426-L430 HydrophobicContact CE1-CD2 4.42Å; Y426-L430 HydrophobicContact CE1-CG 3.9Å; Y426-L430 HydrophobicContact CE2-CD1 4.35Å; Y426-L430 HydrophobicContact CE2-CD2 4.22Å; Y426-L430 HydrophobicContact CE2-CG 4.07Å; Y426-L430 HydrophobicContact CG-CD1 4.47Å; Y426-L430 PolarHBondContact O-N 2.92Å; Y426-Y442 AromaticContact CD1-CD1 3.86Å; Y426-Y442 HydrophobicContact CD1-CD1 3.86Å; Y426-Y442 AromaticContact CD1-CD2 3.4Å; Y426-Y442 HydrophobicContact CD1-CD2 3.4Å; Y426-Y442 AromaticContact CD1-CE1 3.83Å; Y426-Y442 HydrophobicContact CD1-CE1 3.83Å; Y426-Y442 AromaticContact CD1-CE2 3.36Å; Y426-Y442 HydrophobicContact CD1-CE2 3.36Å; Y426-Y442 AromaticContact CD1-CG 3.64Å; Y426-Y442 HydrophobicContact CD1-CG 3.64Å; Y426-Y442 AromaticContact CD1-CZ 3.61Å; Y426-Y442 AromaticContact CE1-CD2 3.7Å; Y426-Y442 HydrophobicContact CE1-CD2 3.7Å; Y426-Y442 HydrophobicContact CE1-CE2 4.03Å; Y426-Y442 HydrophobicContact CE1-CG 4.04Å; Y426-Y442 HydrophobicContact CG-CE1 4.41Å; Y426-Y442 HydrophobicContact CG-CE2 4.25Å
427	F	86.8	Confident	76.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-53.3	-50.5	171.9	167.6	-100.2	0	0	0	111.1	L231 Y234 V235 V423 I424 I425 A429 L430 W431 A439 Y442 L443	L231-F427 HydrophobicContact CB-CE1 4.44Å; L231-F427 HydrophobicContact CD2-CZ 4.36Å; L231-F427 HydrophobicContact CG-CD1 4.34Å; L231-F427 HydrophobicContact CG-CE1 3.77Å; L231-F427 HydrophobicContact CG-CZ 3.97Å; Y234-F427 HydrophobicContact CD2-CE1 4.32Å; V235-F427 HydrophobicContact CG2-CZ 4.45Å; V423-F427 PolarHBondContact O-N 3.26Å; I424-F427 HydrophobicContact CD1-CD1 3.9Å; I425-F427 VanDerWaalsContact C-N 3.33Å; I425-F427 PolarHBondContact O-N 3.42Å; F427-A429 VanDerWaalsContact C-N 3.34Å; F427-A429 PolarHBondContact O-N 3.42Å; F427-L430 PolarHBondContact O-N 2.94Å; F427-W431 HydrophobicContact CE1-CB 4.28Å; F427-W431 HydrophobicContact CE1-CD2 4.48Å; F427-W431 HydrophobicContact CE1-CG 4.33Å; F427-W431 HydrophobicContact CE2-CB 4.37Å; F427-W431 HydrophobicContact CE2-CD2 4.14Å; F427-W431 AromaticContact CE2-CE3 3.53Å; F427-W431 HydrophobicContact CE2-CE3 3.53Å; F427-W431 HydrophobicContact CE2-CZ3 4.17Å; F427-W431 HydrophobicContact CZ-CB 4.12Å; F427-W431 AromaticContact CZ-CD2 3.71Å; F427-W431 HydrophobicContact CZ-CD2 3.71Å; F427-W431 AromaticContact CZ-CE3 3.53Å; F427-W431 HydrophobicContact CZ-CE3 3.53Å; F427-W431 AromaticContact CZ-CG 3.98Å; F427-W431 HydrophobicContact CZ-CG 3.98Å; F427-W431 HydrophobicContact CZ-CZ3 4.19Å; F427-W431 WeakPolarHBondContact O-CB 3.24Å; F427-W431 PolarHBondContact O-N 2.79Å; F427-A439 HydrophobicContact CD2-CB 3.9Å; F427-A439 HydrophobicContact CE2-CB 3.91Å; F427-Y442 HydrophobicContact CB-CD1 4.27Å; F427-Y442 HydrophobicContact CB-CE1 4.36Å; F427-L443 HydrophobicContact CB-CD2 4.17Å; F427-L443 HydrophobicContact CD2-CD1 3.44Å; F427-L443 VanDerWaalsContact CD2-CD1 3.44Å; F427-L443 HydrophobicContact CD2-CD2 3.86Å; F427-L443 HydrophobicContact CD2-CG 3.52Å; F427-L443 HydrophobicContact CE2-CD1 3.32Å; F427-L443 HydrophobicContact CE2-CG 3.97Å; F427-L443 HydrophobicContact CG-CD1 4.28Å; F427-L443 HydrophobicContact CG-CD2 4.02Å; F427-L443 HydrophobicContact CG-CG 4.21Å; F427-L443 HydrophobicContact CZ-CD1 4.1Å
428	S	84.9	Confident	77.4	Confident	14 Å²	14	28 Å²	28	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-37.5	179.8	67.1	0	0	0	0	112.3	I424 I425 Y426 W431 L432	I424-S428 VanDerWaalsContact O-CB 3.26Å; I424-S428 WeakPolarHBondContact O-CB 3.24Å; I424-S428 PolarHBondContact O-N 3.45Å; I424-S428 PolarHBondContact O-OG 2.85Å; I424-S428 VanDerWaalsContact O-OG 3.13Å; I425-S428 PolarHBondContact O-N 3.48Å; I425-S428 PolarHBondContact O-OG 3.07Å; Y426-S428 VanDerWaalsContact C-N 3.31Å; Y426-S428 PolarHBondContact O-N 3.37Å; S428-W431 PolarHBondContact O-N 3.26Å; S428-L432 WeakPolarHBondContact O-CB 3.4Å; S428-L432 WeakPolarHBondContact O-CG 3.46Å; S428-L432 PolarHBondContact O-N 2.68Å
429	A	82	Confident	78.8	Confident	20 Å²	20	24.9 Å²	24.9	17%	0.165	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-44.9	175	0	0	0	0	0	112	V408 F417 I425 Y426 F427 S433	V408-A429 HydrophobicContact CG1-CB 3.93Å; F417-A429 HydrophobicContact CE1-CB 4.18Å; F417-A429 HydrophobicContact CE2-CB 4.38Å; F417-A429 HydrophobicContact CZ-CB 3.91Å; I425-A429 PolarHBondContact O-N 3.4Å; Y426-A429 PolarHBondContact O-N 2.87Å; F427-A429 VanDerWaalsContact C-N 3.34Å; F427-A429 PolarHBondContact O-N 3.42Å; A429-S433 VanDerWaalsContact O-CB 3.27Å; A429-S433 WeakPolarHBondContact O-CB 3.25Å; A429-S433 PolarHBondContact O-N 3.47Å; A429-S433 VanDerWaalsContact O-N 3.17Å; A429-S433 PolarHBondContact O-OG 3.36Å
430	L	84.7	Confident	80.7	Confident	0 Å²	0	20 Å²	20	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.8	-44.5	175	-69.9	177.8	0	0	0	111.6	V408 Y426 F427 S433 G434 Q435 L438 A439	V408-L430 HydrophobicContact CG1-CD2 4.35Å; Y426-L430 HydrophobicContact CD1-CD1 3.73Å; Y426-L430 HydrophobicContact CD1-CG 4.26Å; Y426-L430 HydrophobicContact CD2-CG 4.39Å; Y426-L430 HydrophobicContact CE1-CD1 3.27Å; Y426-L430 HydrophobicContact CE1-CD2 4.42Å; Y426-L430 HydrophobicContact CE1-CG 3.9Å; Y426-L430 HydrophobicContact CE2-CD1 4.35Å; Y426-L430 HydrophobicContact CE2-CD2 4.22Å; Y426-L430 HydrophobicContact CE2-CG 4.07Å; Y426-L430 HydrophobicContact CG-CD1 4.47Å; Y426-L430 PolarHBondContact O-N 2.92Å; F427-L430 PolarHBondContact O-N 2.94Å; L430-S433 PolarHBondContact O-N 3.43Å; L430-S433 PolarHBondContact O-OG 3.48Å; L430-G434 PolarHBondContact O-N 3.42Å; L430-Q435 HydrophobicContact CD2-CB 4.32Å; L430-Q435 PolarHBondContact O-N 2.95Å; L430-L438 HydrophobicContact CD1-CB 3.93Å; L430-L438 HydrophobicContact CD2-CB 4.13Å; L430-L438 HydrophobicContact CD2-CD1 4.16Å; L430-A439 HydrophobicContact CB-CB 3.77Å; L430-A439 HydrophobicContact CD1-CB 4.49Å
431	W	88.4	Confident	82.6	Confident	3 Å²	3	17.1 Å²	17.1	1%	0.011	10%	0.101	C	C	.	.	H	α-helix	trans	-64.9	-50.7	-177.6	-168.5	-94.1	0	0	0	112.3	Y234 V235 L238 F427 S428 S433 G434 F436 A439 V457 V461	Y234-W431 PolarHBondContact O-NE1 2.85Å; V235-W431 HydrophobicContact CB-CZ2 3.96Å; V235-W431 HydrophobicContact CG1-CH2 4.34Å; V235-W431 HydrophobicContact CG1-CZ2 3.93Å; V235-W431 HydrophobicContact CG2-CH2 3.92Å; V235-W431 HydrophobicContact CG2-CZ2 3.61Å; L238-W431 HydrophobicContact CD1-CH2 4.16Å; L238-W431 HydrophobicContact CD1-CZ2 3.5Å; L238-W431 HydrophobicContact CG-CZ2 4.12Å; F427-W431 HydrophobicContact CE1-CB 4.28Å; F427-W431 HydrophobicContact CE1-CD2 4.48Å; F427-W431 HydrophobicContact CE1-CG 4.33Å; F427-W431 HydrophobicContact CE2-CB 4.37Å; F427-W431 HydrophobicContact CE2-CD2 4.14Å; F427-W431 AromaticContact CE2-CE3 3.53Å; F427-W431 HydrophobicContact CE2-CE3 3.53Å; F427-W431 HydrophobicContact CE2-CZ3 4.17Å; F427-W431 HydrophobicContact CZ-CB 4.12Å; F427-W431 AromaticContact CZ-CD2 3.71Å; F427-W431 HydrophobicContact CZ-CD2 3.71Å; F427-W431 AromaticContact CZ-CE3 3.53Å; F427-W431 HydrophobicContact CZ-CE3 3.53Å; F427-W431 AromaticContact CZ-CG 3.98Å; F427-W431 HydrophobicContact CZ-CG 3.98Å; F427-W431 HydrophobicContact CZ-CZ3 4.19Å; F427-W431 WeakPolarHBondContact O-CB 3.24Å; F427-W431 PolarHBondContact O-N 2.79Å; S428-W431 PolarHBondContact O-N 3.26Å; W431-S433 PolarHBondContact O-N 2.79Å; W431-G434 PolarHBondContact O-N 2.82Å; W431-F436 HydrophobicContact CD2-CD1 4.05Å; W431-F436 HydrophobicContact CD2-CE1 4.28Å; W431-F436 AromaticContact CE3-CD1 3.86Å; W431-F436 HydrophobicContact CE3-CD1 3.86Å; W431-F436 HydrophobicContact CH2-CD1 4.06Å; W431-F436 HydrophobicContact CZ2-CD1 4.23Å; W431-F436 HydrophobicContact CZ2-CE1 4.3Å; W431-F436 AromaticContact CZ3-CD1 3.87Å; W431-F436 HydrophobicContact CZ3-CD1 3.87Å; W431-A439 HydrophobicContact CE3-CB 3.9Å; W431-V457 HydrophobicContact CH2-CG1 3.33Å; W431-V457 HydrophobicContact CZ2-CG1 4.43Å; W431-V457 HydrophobicContact CZ3-CG1 3.48Å; W431-V457 VanDerWaalsContact CZ3-CG1 3.48Å; W431-V461 HydrophobicContact CH2-CG2 3.47Å; W431-V461 VanDerWaalsContact CH2-CG2 3.47Å; W431-V461 HydrophobicContact CZ2-CG2 4.34Å; W431-V461 HydrophobicContact CZ3-CG2 4.2Å
432	L	85.5	Confident	84.1	Confident	21 Å²	21	15.2 Å²	15.2	11%	0.11	9%	0.088	C	C	.	.	H	α-helix	trans	-70.8	-21.4	-179.6	-62.8	175.7	0	0	0	112.4	Y234 L237 F262 V266 L270 S428 G434	Y234-L432 HydrophobicContact CD1-CD1 4.29Å; Y234-L432 HydrophobicContact CD1-CD2 4.05Å; Y234-L432 HydrophobicContact CD1-CG 4.35Å; Y234-L432 HydrophobicContact CE1-CD1 4.05Å; L237-L432 HydrophobicContact CD1-CD2 3.69Å; F262-L432 WeakPolarHBondContact CE1-O 3.47Å; V266-L432 HydrophobicContact CG1-CB 3.94Å; V266-L432 HydrophobicContact CG1-CD2 4.06Å; V266-L432 HydrophobicContact CG2-CD2 4.12Å; L270-L432 HydrophobicContact CD2-CD1 3.81Å; L270-L432 HydrophobicContact CG-CD1 4.33Å; S428-L432 WeakPolarHBondContact O-CB 3.4Å; S428-L432 WeakPolarHBondContact O-CG 3.46Å; S428-L432 PolarHBondContact O-N 2.68Å; L432-G434 VanDerWaalsContact C-N 3.28Å
433	S	81.9	Confident	85	Confident	6 Å²	6	11.9 Å²	11.9	4%	0.042	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.8	169.7	66.1	0	0	0	0	113.8	Q405 A429 L430 W431 Q435	Q405-S433 WeakPolarHBondContact CG-O 3.28Å; Q405-S433 PolarHBondContact NE2-O 2.91Å; A429-S433 VanDerWaalsContact O-CB 3.27Å; A429-S433 WeakPolarHBondContact O-CB 3.25Å; A429-S433 PolarHBondContact O-N 3.47Å; A429-S433 VanDerWaalsContact O-N 3.17Å; A429-S433 PolarHBondContact O-OG 3.36Å; L430-S433 PolarHBondContact O-N 3.43Å; L430-S433 PolarHBondContact O-OG 3.48Å; W431-S433 PolarHBondContact O-N 2.79Å; S433-Q435 PolarHBondContact OG-NE2 2.92Å
434	G	83.6	Confident	85.4	Confident	8 Å²	8	10.3 Å²	10.3	8%	0.082	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	14.3	178.9	0	0	0	0	0	114.7	L430 W431 L432 F436	L430-G434 PolarHBondContact O-N 3.42Å; W431-G434 PolarHBondContact O-N 2.82Å; L432-G434 VanDerWaalsContact C-N 3.28Å; G434-F436 VanDerWaalsContact C-N 3.29Å; G434-F436 PolarHBondContact O-N 2.73Å
435	Q	83.6	Confident	85.4	Confident	26 Å²	26	13.4 Å²	13.4	12%	0.121	7%	0.069	C	C	.	.			trans	-89.6	60.8	178.5	-63.7	-179.6	72.7	0	0	110.6	Q405 S409 L430 S433 E437 L438 A439	Q405-Q435 PolarHBondContact O-NE2 3.23Å; S409-Q435 PolarHBondContact OG-OE1 3.48Å; L430-Q435 HydrophobicContact CD2-CB 4.32Å; L430-Q435 PolarHBondContact O-N 2.95Å; S433-Q435 PolarHBondContact OG-NE2 2.92Å; Q435-E437 VanDerWaalsContact C-N 3.32Å; Q435-E437 PolarHBondContact O-N 2.96Å; Q435-L438 HydrophobicContact CB-CB 4.4Å; Q435-L438 HydrophobicContact CB-CD1 4.27Å; Q435-L438 PolarHBondContact O-N 3.47Å; Q435-L438 VanDerWaalsContact OE1-CD1 3.25Å; Q435-A439 PolarHBondContact O-N 3.29Å
436	F	89	Confident	85.3	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.2	-41.3	-172.2	-54.7	-58.5	0	0	0	113.1	L238 Y258 F262 W431 G434 L438 A439 I440 V461 L466	L238-F436 HydrophobicContact CD2-CE1 4.09Å; L238-F436 HydrophobicContact CD2-CZ 3.95Å; Y258-F436 VanDerWaalsContact OH-CE2 3.31Å; Y258-F436 WeakPolarHBondContact OH-CE2 3.46Å; Y258-F436 WeakPolarHBondContact OH-CZ 3.45Å; F262-F436 HydrophobicContact CD2-CZ 4.36Å; F262-F436 HydrophobicContact CE2-CE1 4.09Å; F262-F436 AromaticContact CE2-CZ 3.6Å; F262-F436 HydrophobicContact CE2-CZ 3.6Å; F262-F436 HydrophobicContact CZ-CE1 4.28Å; F262-F436 AromaticContact CZ-CZ 3.98Å; F262-F436 HydrophobicContact CZ-CZ 3.98Å; W431-F436 HydrophobicContact CD2-CD1 4.05Å; W431-F436 HydrophobicContact CD2-CE1 4.28Å; W431-F436 AromaticContact CE3-CD1 3.86Å; W431-F436 HydrophobicContact CE3-CD1 3.86Å; W431-F436 HydrophobicContact CH2-CD1 4.06Å; W431-F436 HydrophobicContact CZ2-CD1 4.23Å; W431-F436 HydrophobicContact CZ2-CE1 4.3Å; W431-F436 AromaticContact CZ3-CD1 3.87Å; W431-F436 HydrophobicContact CZ3-CD1 3.87Å; G434-F436 VanDerWaalsContact C-N 3.29Å; G434-F436 PolarHBondContact O-N 2.73Å; F436-L438 VanDerWaalsContact C-N 3.35Å; F436-L438 PolarHBondContact O-N 2.93Å; F436-A439 PolarHBondContact O-N 3.06Å; F436-I440 WeakPolarHBondContact O-CD1 3.46Å; F436-I440 VanDerWaalsContact O-CG1 3.29Å; F436-I440 WeakPolarHBondContact O-CG1 3.5Å; F436-I440 PolarHBondContact O-N 2.96Å; F436-V461 HydrophobicContact CB-CG1 4.16Å; F436-V461 HydrophobicContact CD2-CG1 4.32Å; F436-V461 HydrophobicContact CG-CG1 4.2Å; F436-L466 HydrophobicContact CD2-CB 4.36Å; F436-L466 HydrophobicContact CE2-CB 4.24Å; F436-L466 HydrophobicContact CE2-CD1 4.45Å
437	E	88.5	Confident	85.3	Confident	8 Å²	8	16.5 Å²	16.5	4%	0.037	9%	0.088	C	C	.	.	H	α-helix	trans	-60.3	-46.1	-178	-62.5	83.6	179.4	0	0	110.8	K253 Q435 E441 L467 T468 I478 K487 L489	K253-E437 IonicContact NZ-OE1 3.64Å; K253-E437 PolarHBondContact NZ-OE1 2.64Å; K253-E437 IonicContact NZ-OE2 2.71Å; K253-E437 PolarHBondContact NZ-OE2 2.75Å; Q435-E437 VanDerWaalsContact C-N 3.32Å; Q435-E437 PolarHBondContact O-N 2.96Å; E437-E441 WeakPolarHBondContact O-CB 3.46Å; E437-E441 PolarHBondContact O-N 3.14Å; E437-L467 HydrophobicContact CG-CD1 3.99Å; E437-T468 VanDerWaalsContact CD-OG1 3.3Å; E437-T468 WeakPolarHBondContact OE1-CB 3.42Å; E437-T468 PolarHBondContact OE1-N 2.71Å; E437-T468 PolarHBondContact OE1-OG1 3.25Å; E437-I478 HydrophobicContact CB-CD1 3.87Å; E437-I478 WeakPolarHBondContact O-CD1 3.23Å; E437-K487 VanDerWaalsContact CG-O 3.25Å; E437-K487 WeakPolarHBondContact CG-O 3.42Å; E437-L489 HydrophobicContact CB-CB 4.21Å; E437-L489 HydrophobicContact CG-CB 4.11Å
438	L	84.8	Confident	84.9	Confident	21 Å²	21	20.8 Å²	20.8	11%	0.11	12%	0.118	C	C	.	.	H	α-helix	trans	-67.9	-39.2	174.8	-69.8	177.3	0	0	0	112.8	L430 Q435 F436 I440 E441 Y442 K487	L430-L438 HydrophobicContact CD1-CB 3.93Å; L430-L438 HydrophobicContact CD2-CB 4.13Å; L430-L438 HydrophobicContact CD2-CD1 4.16Å; Q435-L438 HydrophobicContact CB-CB 4.4Å; Q435-L438 HydrophobicContact CB-CD1 4.27Å; Q435-L438 PolarHBondContact O-N 3.47Å; Q435-L438 VanDerWaalsContact OE1-CD1 3.25Å; F436-L438 VanDerWaalsContact C-N 3.35Å; F436-L438 PolarHBondContact O-N 2.93Å; L438-I440 VanDerWaalsContact C-N 3.31Å; L438-I440 PolarHBondContact O-N 3.3Å; L438-E441 PolarHBondContact O-N 3.06Å; L438-Y442 VanDerWaalsContact O-CB 3.3Å; L438-Y442 WeakPolarHBondContact O-CB 3.39Å; L438-Y442 PolarHBondContact O-N 3.43Å; L438-K487 HydrophobicContact CD1-CD 3.7Å; L438-K487 HydrophobicContact CD2-CD 3.44Å; L438-K487 VanDerWaalsContact CD2-CD 3.44Å; L438-K487 HydrophobicContact CG-CD 3.57Å
439	A	87.7	Confident	84.9	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-42.2	-179.5	0	0	0	0	0	111.1	F427 L430 W431 Q435 F436 L443	F427-A439 HydrophobicContact CD2-CB 3.9Å; F427-A439 HydrophobicContact CE2-CB 3.91Å; L430-A439 HydrophobicContact CB-CB 3.77Å; L430-A439 HydrophobicContact CD1-CB 4.49Å; W431-A439 HydrophobicContact CE3-CB 3.9Å; Q435-A439 PolarHBondContact O-N 3.29Å; F436-A439 PolarHBondContact O-N 3.06Å; A439-L443 WeakPolarHBondContact O-CG 3.44Å; A439-L443 PolarHBondContact O-N 3.39Å; A439-L443 VanDerWaalsContact O-N 3.11Å
440	I	90.1	Very high	85	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-68.1	-45	177.3	-67.2	160.9	0	0	0	110.8	F436 L438 Y442 L443 S444 A454 V457 A458 L467 L489 L494	F436-I440 WeakPolarHBondContact O-CD1 3.46Å; F436-I440 VanDerWaalsContact O-CG1 3.29Å; F436-I440 WeakPolarHBondContact O-CG1 3.5Å; F436-I440 PolarHBondContact O-N 2.96Å; L438-I440 VanDerWaalsContact C-N 3.31Å; L438-I440 PolarHBondContact O-N 3.3Å; I440-Y442 VanDerWaalsContact C-N 3.31Å; I440-Y442 PolarHBondContact O-N 3.43Å; I440-L443 PolarHBondContact O-N 3.23Å; I440-S444 WeakPolarHBondContact O-CB 3.25Å; I440-S444 PolarHBondContact O-N 3.44Å; I440-A454 HydrophobicContact CG2-CB 4.25Å; I440-V457 HydrophobicContact CG1-CG1 4.28Å; I440-A458 HydrophobicContact CD1-CB 3.96Å; I440-A458 HydrophobicContact CG2-CB 3.98Å; I440-L467 HydrophobicContact CD1-CD1 3.76Å; I440-L489 HydrophobicContact CB-CD2 4.08Å; I440-L489 HydrophobicContact CD1-CD2 4.01Å; I440-L489 HydrophobicContact CG2-CD1 4.44Å; I440-L489 HydrophobicContact CG2-CD2 3.67Å; I440-L494 HydrophobicContact CG2-CD1 3.79Å
441	E	87.7	Confident	85.1	Confident	24 Å²	24	24.3 Å²	24.3	11%	0.112	13%	0.129	C	C	.	.	H	α-helix	trans	-59.4	-44.5	177.4	-174.2	-86.6	169.4	0	0	111.3	E437 L438 L443 S444 R445 L477 I478 L489	E437-E441 WeakPolarHBondContact O-CB 3.46Å; E437-E441 PolarHBondContact O-N 3.14Å; L438-E441 PolarHBondContact O-N 3.06Å; E441-L443 PolarHBondContact O-N 2.89Å; E441-S444 WeakPolarHBondContact O-CB 3.28Å; E441-S444 PolarHBondContact O-N 3.19Å; E441-S444 VanDerWaalsContact O-N 3.14Å; E441-S444 PolarHBondContact O-OG 3.33Å; E441-R445 PolarHBondContact O-N 3.37Å; E441-R445 VanDerWaalsContact OE1-CD 3.23Å; E441-R445 WeakPolarHBondContact OE1-CD 3.22Å; E441-R445 IonicContact OE1-CZ 3.48Å; E441-R445 IonicContact OE1-NE 2.79Å; E441-R445 PolarHBondContact OE1-NE 3.32Å; E441-R445 IonicContact OE1-NH2 3.62Å; E441-R445 IonicContact OE2-CZ 3.27Å; E441-R445 IonicContact OE2-NE 2.67Å; E441-R445 PolarHBondContact OE2-NE 2.94Å; E441-R445 VanDerWaalsContact OE2-NE 3.14Å; E441-R445 IonicContact OE2-NH2 3.87Å; E441-R445 PolarHBondContact OE2-NH2 3.26Å; E441-L477 HydrophobicContact CB-CD2 4.44Å; E441-L477 HydrophobicContact CG-CD2 3.78Å; E441-L477 HydrophobicContact CG-CG 4.04Å; E441-I478 HydrophobicContact CB-CD1 4.05Å; E441-I478 HydrophobicContact CB-CG1 3.64Å; E441-I478 HydrophobicContact CG-CD1 4.49Å; E441-I478 HydrophobicContact CG-CG1 3.57Å; E441-L489 HydrophobicContact CB-CD1 4.36Å
442	Y	85.6	Confident	85.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.8	-49.6	176.4	176	-101.8	0	0	0	111.5	E414 D418 V423 Y426 F427 L438 I440 S444 R445 H446	E414-Y442 HydrophobicContact CB-CE2 4.41Å; E414-Y442 HydrophobicContact CG-CD2 3.71Å; E414-Y442 HydrophobicContact CG-CE2 3.65Å; D418-Y442 PolarHBondContact OD1-OH 3.01Å; V423-Y442 HydrophobicContact CB-CE1 4.48Å; V423-Y442 HydrophobicContact CG1-CD1 4.31Å; V423-Y442 HydrophobicContact CG1-CE1 3.43Å; V423-Y442 VanDerWaalsContact CG1-CE1 3.43Å; V423-Y442 VanDerWaalsContact O-CE1 3.32Å; V423-Y442 WeakPolarHBondContact O-CE1 3.31Å; Y426-Y442 AromaticContact CD1-CD1 3.86Å; Y426-Y442 HydrophobicContact CD1-CD1 3.86Å; Y426-Y442 AromaticContact CD1-CD2 3.4Å; Y426-Y442 HydrophobicContact CD1-CD2 3.4Å; Y426-Y442 AromaticContact CD1-CE1 3.83Å; Y426-Y442 HydrophobicContact CD1-CE1 3.83Å; Y426-Y442 AromaticContact CD1-CE2 3.36Å; Y426-Y442 HydrophobicContact CD1-CE2 3.36Å; Y426-Y442 AromaticContact CD1-CG 3.64Å; Y426-Y442 HydrophobicContact CD1-CG 3.64Å; Y426-Y442 AromaticContact CD1-CZ 3.61Å; Y426-Y442 AromaticContact CE1-CD2 3.7Å; Y426-Y442 HydrophobicContact CE1-CD2 3.7Å; Y426-Y442 HydrophobicContact CE1-CE2 4.03Å; Y426-Y442 HydrophobicContact CE1-CG 4.04Å; Y426-Y442 HydrophobicContact CG-CE1 4.41Å; Y426-Y442 HydrophobicContact CG-CE2 4.25Å; F427-Y442 HydrophobicContact CB-CD1 4.27Å; F427-Y442 HydrophobicContact CB-CE1 4.36Å; L438-Y442 VanDerWaalsContact O-CB 3.3Å; L438-Y442 WeakPolarHBondContact O-CB 3.39Å; L438-Y442 PolarHBondContact O-N 3.43Å; I440-Y442 VanDerWaalsContact C-N 3.31Å; I440-Y442 PolarHBondContact O-N 3.43Å; Y442-S444 VanDerWaalsContact C-N 3.26Å; Y442-S444 PolarHBondContact O-N 2.87Å; Y442-R445 PolarHBondContact O-N 3.47Å; Y442-H446 AromaticContact CD2-CE1 3.29Å; Y442-H446 WeakPolarHBondContact CD2-CE1 3.2Å; Y442-H446 AromaticContact CE1-CE1 3.96Å; Y442-H446 AromaticContact CE2-CE1 2.97Å; Y442-H446 WeakPolarHBondContact CE2-CE1 3.43Å; Y442-H446 AromaticContact CE2-ND1 3.92Å; Y442-H446 AromaticContact CE2-NE2 3.41Å; Y442-H446 WeakPolarHBondContact CE2-NE2 3.09Å; Y442-H446 AromaticContact CG-CE1 3.94Å; Y442-H446 AromaticContact CZ-CE1 3.34Å; Y442-H446 AromaticContact CZ-NE2 3.52Å; Y442-H446 PolarHBondContact O-CE1 3.23Å; Y442-H446 PolarHBondContact O-ND1 3.27Å
443	L	87.5	Confident	85.5	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-59.2	-36.9	176.2	-71.1	176.8	0	0	0	113	L231 F427 A439 I440 E441 R445 L450 A454	L231-L443 HydrophobicContact CD1-CD1 3.71Å; L231-L443 HydrophobicContact CD1-CD2 3.87Å; L231-L443 HydrophobicContact CD1-CG 4.46Å; L231-L443 HydrophobicContact CG-CD1 4.43Å; F427-L443 HydrophobicContact CB-CD2 4.17Å; F427-L443 HydrophobicContact CD2-CD1 3.44Å; F427-L443 VanDerWaalsContact CD2-CD1 3.44Å; F427-L443 HydrophobicContact CD2-CD2 3.86Å; F427-L443 HydrophobicContact CD2-CG 3.52Å; F427-L443 HydrophobicContact CE2-CD1 3.32Å; F427-L443 HydrophobicContact CE2-CG 3.97Å; F427-L443 HydrophobicContact CG-CD1 4.28Å; F427-L443 HydrophobicContact CG-CD2 4.02Å; F427-L443 HydrophobicContact CG-CG 4.21Å; F427-L443 HydrophobicContact CZ-CD1 4.1Å; A439-L443 WeakPolarHBondContact O-CG 3.44Å; A439-L443 PolarHBondContact O-N 3.39Å; A439-L443 VanDerWaalsContact O-N 3.11Å; I440-L443 PolarHBondContact O-N 3.23Å; E441-L443 PolarHBondContact O-N 2.89Å; L443-R445 PolarHBondContact O-N 3.09Å; L443-L450 HydrophobicContact CD2-CD2 4.36Å; L443-A454 HydrophobicContact CB-CB 3.74Å
444	S	85.8	Confident	85.9	Confident	3 Å²	3	23 Å²	23	2%	0.021	12%	0.121	C	C	.	.	H	α-helix	trans	-65.6	-19.1	-176.7	81.9	0	0	0	0	114	I440 E441 Y442 L477	I440-S444 WeakPolarHBondContact O-CB 3.25Å; I440-S444 PolarHBondContact O-N 3.44Å; E441-S444 WeakPolarHBondContact O-CB 3.28Å; E441-S444 PolarHBondContact O-N 3.19Å; E441-S444 VanDerWaalsContact O-N 3.14Å; E441-S444 PolarHBondContact O-OG 3.33Å; Y442-S444 VanDerWaalsContact C-N 3.26Å; Y442-S444 PolarHBondContact O-N 2.87Å; S444-L477 WeakPolarHBondContact OG-CD2 3.42Å
445	R	82.5	Confident	86.3	Confident	75 Å²	75	22.6 Å²	22.6	28%	0.283	12%	0.117	S	C	.	.	H	α-helix	trans	-92.8	-24.3	-176.4	-72.9	-173.4	-76.9	116.3	-8.8	115.4	Y132 E414 E441 Y442 L443	Y132-R445 WeakPolarHBondContact OH-CD 3.45Å; Y132-R445 PolarHBondContact OH-NE 3Å; E414-R445 VanDerWaalsContact CD-NH2 3.3Å; E414-R445 IonicContact OE1-CZ 2.94Å; E414-R445 IonicContact OE1-NH1 3.48Å; E414-R445 IonicContact OE1-NH2 2.99Å; E414-R445 PolarHBondContact OE1-NH2 2.9Å; E414-R445 IonicContact OE2-CZ 2.69Å; E414-R445 IonicContact OE2-NH1 3.22Å; E414-R445 PolarHBondContact OE2-NH1 3.41Å; E414-R445 IonicContact OE2-NH2 2.92Å; E414-R445 PolarHBondContact OE2-NH2 2.9Å; E441-R445 PolarHBondContact O-N 3.37Å; E441-R445 VanDerWaalsContact OE1-CD 3.23Å; E441-R445 WeakPolarHBondContact OE1-CD 3.22Å; E441-R445 IonicContact OE1-CZ 3.48Å; E441-R445 IonicContact OE1-NE 2.79Å; E441-R445 PolarHBondContact OE1-NE 3.32Å; E441-R445 IonicContact OE1-NH2 3.62Å; E441-R445 IonicContact OE2-CZ 3.27Å; E441-R445 IonicContact OE2-NE 2.67Å; E441-R445 PolarHBondContact OE2-NE 2.94Å; E441-R445 VanDerWaalsContact OE2-NE 3.14Å; E441-R445 IonicContact OE2-NH2 3.87Å; E441-R445 PolarHBondContact OE2-NH2 3.26Å; Y442-R445 PolarHBondContact O-N 3.47Å; L443-R445 PolarHBondContact O-N 3.09Å
446	H	79.2	Confident	86.8	Confident	68 Å²	68	21.4 Å²	21.4	32%	0.315	11%	0.112	S	C	.	.	H	α-helix	trans	-83	-49.1	-163.1	-78.6	70.6	0	0	0	114.4	V423 Y442 L450	V423-H446 HydrophobicContact CG1-CB 4.24Å; V423-H446 HydrophobicContact CG2-CB 4.5Å; Y442-H446 AromaticContact CD2-CE1 3.29Å; Y442-H446 WeakPolarHBondContact CD2-CE1 3.2Å; Y442-H446 AromaticContact CE1-CE1 3.96Å; Y442-H446 AromaticContact CE2-CE1 2.97Å; Y442-H446 WeakPolarHBondContact CE2-CE1 3.43Å; Y442-H446 AromaticContact CE2-ND1 3.92Å; Y442-H446 AromaticContact CE2-NE2 3.41Å; Y442-H446 WeakPolarHBondContact CE2-NE2 3.09Å; Y442-H446 AromaticContact CG-CE1 3.94Å; Y442-H446 AromaticContact CZ-CE1 3.34Å; Y442-H446 AromaticContact CZ-NE2 3.52Å; Y442-H446 PolarHBondContact O-CE1 3.23Å; Y442-H446 PolarHBondContact O-ND1 3.27Å; H446-L450 HydrophobicContact CB-CD1 3.92Å
447	S	80.9	Confident	86.9	Confident	48 Å²	48	21.4 Å²	21.4	34%	0.336	11%	0.112	S	C	.	.			trans	-151.5	155.9	180	67.5	0	0	0	0	111	K449 L450 F451	S447-K449 PolarHBondContact O-N 3.29Å; S447-L450 PolarHBondContact O-N 2.98Å; S447-L450 WeakPolarHBondContact OG-CB 3.42Å; S447-L450 VanDerWaalsContact OG-CG 3.28Å; S447-L450 WeakPolarHBondContact OG-CG 3.36Å; S447-L450 PolarHBondContact OG-N 3.47Å; S447-L450 VanDerWaalsContact OG-N 3.15Å; S447-F451 WeakPolarHBondContact O-CB 3.4Å; S447-F451 PolarHBondContact O-N 3.39Å
448	S	79.9	Confident	87.1	Confident	89 Å²	89	21 Å²	21	62%	0.622	11%	0.11	S	C	*	.	H	α-helix	trans	-57.4	-34.4	174.3	59.1	0	0	0	0	112	F451 V452	S448-F451 PolarHBondContact O-N 3.41Å; S448-V452 WeakPolarHBondContact O-CG2 3.49Å; S448-V452 PolarHBondContact O-N 2.95Å
449	K	83.5	Confident	87.4	Confident	80 Å²	80	20.2 Å²	20.2	35%	0.348	11%	0.106	S	C	.	.	H	α-helix	trans	-64.4	-48.5	175.9	-62.8	-176.3	-177.6	170.5	0	112	M185 S447 F451 V452 Q453	M185-K449 HydrophobicContact CE-CB 4.32Å; M185-K449 HydrophobicContact CG-CG 4.37Å; M185-K449 HydrophobicContact SD-CB 4.06Å; M185-K449 HydrophobicContact SD-CG 3.82Å; S447-K449 PolarHBondContact O-N 3.29Å; K449-F451 VanDerWaalsContact C-N 3.34Å; K449-V452 PolarHBondContact O-N 3.42Å; K449-Q453 PolarHBondContact O-N 3.02Å
450	L	85.2	Confident	87.5	Confident	15 Å²	15	20.3 Å²	20.3	8%	0.079	11%	0.106	C	C	.	.	H	α-helix	trans	-71.3	-29.9	178.2	-67.2	176.1	0	0	0	112.3	I227 L231 V423 L443 H446 S447 V452 Q453 A454	I227-L450 HydrophobicContact CG2-CD2 4.1Å; L231-L450 HydrophobicContact CD1-CD2 4.35Å; V423-L450 HydrophobicContact CB-CD1 4.26Å; V423-L450 HydrophobicContact CG1-CD1 3.75Å; L443-L450 HydrophobicContact CD2-CD2 4.36Å; H446-L450 HydrophobicContact CB-CD1 3.92Å; S447-L450 PolarHBondContact O-N 2.98Å; S447-L450 WeakPolarHBondContact OG-CB 3.42Å; S447-L450 VanDerWaalsContact OG-CG 3.28Å; S447-L450 WeakPolarHBondContact OG-CG 3.36Å; S447-L450 PolarHBondContact OG-N 3.47Å; S447-L450 VanDerWaalsContact OG-N 3.15Å; L450-V452 VanDerWaalsContact C-N 3.31Å; L450-V452 PolarHBondContact O-N 2.99Å; L450-Q453 CarbonylContact O-C 3.58Å; L450-Q453 WeakPolarHBondContact O-CB 3.35Å; L450-Q453 PolarHBondContact O-N 3.33Å; L450-Q453 VanDerWaalsContact O-N 3.09Å; L450-A454 WeakPolarHBondContact O-CB 3.33Å; L450-A454 PolarHBondContact O-N 3.49Å
451	F	87.5	Confident	87.5	Confident	14 Å²	14	20.3 Å²	20.3	6%	0.061	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-42.5	173.4	176.4	-104.7	0	0	0	111.7	S447 S448 K449 Q453 A454 V455 L494 R497 Y498	S447-F451 WeakPolarHBondContact O-CB 3.4Å; S447-F451 PolarHBondContact O-N 3.39Å; S448-F451 PolarHBondContact O-N 3.41Å; K449-F451 VanDerWaalsContact C-N 3.34Å; F451-Q453 VanDerWaalsContact C-N 3.33Å; F451-Q453 PolarHBondContact O-N 2.97Å; F451-A454 WeakPolarHBondContact O-CB 3.32Å; F451-A454 PolarHBondContact O-N 2.78Å; F451-V455 HydrophobicContact CE1-CG2 4.13Å; F451-V455 HydrophobicContact CE2-CG2 4.17Å; F451-V455 HydrophobicContact CZ-CG2 3.9Å; F451-V455 VanDerWaalsContact O-CG2 3.32Å; F451-V455 WeakPolarHBondContact O-CG2 3.33Å; F451-V455 PolarHBondContact O-N 3.3Å; F451-L494 HydrophobicContact CE2-CD2 4Å; F451-R497 HydrophobicContact CE1-CG 4.36Å; F451-R497 HydrophobicContact CE2-CG 4.3Å; F451-R497 HydrophobicContact CZ-CB 3.94Å; F451-R497 HydrophobicContact CZ-CG 3.69Å; F451-Y498 HydrophobicContact CD1-CD2 4.44Å; F451-Y498 HydrophobicContact CE1-CD2 4.02Å; F451-Y498 HydrophobicContact CE1-CG 4.48Å
452	V	90	Very high	87.5	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-44.6	173.1	-178.6	0	0	0	0	110.9	M185 K189 F192 S448 K449 L450 A454 V455 H456 Y498	M185-V452 HydrophobicContact CE-CB 3.37Å; M185-V452 HydrophobicContact CE-CG1 3.82Å; M185-V452 HydrophobicContact CE-CG2 3.19Å; K189-V452 HydrophobicContact CD-CG2 4.32Å; K189-V452 HydrophobicContact CG-CG1 4.04Å; K189-V452 HydrophobicContact CG-CG2 4.04Å; F192-V452 HydrophobicContact CD2-CG1 4Å; F192-V452 HydrophobicContact CE2-CG1 4.19Å; S448-V452 WeakPolarHBondContact O-CG2 3.49Å; S448-V452 PolarHBondContact O-N 2.95Å; K449-V452 PolarHBondContact O-N 3.42Å; L450-V452 VanDerWaalsContact C-N 3.31Å; L450-V452 PolarHBondContact O-N 2.99Å; V452-A454 VanDerWaalsContact C-N 3.34Å; V452-A454 PolarHBondContact O-N 3.43Å; V452-V455 PolarHBondContact O-N 3.2Å; V452-H456 PolarHBondContact O-N 2.83Å; V452-H456 PolarHBondContact O-ND1 3.29Å; V452-Y498 HydrophobicContact CB-CE2 4.32Å; V452-Y498 HydrophobicContact CG1-CE2 4.04Å; V452-Y498 HydrophobicContact CG2-CE2 3.86Å
453	Q	91.4	Very high	87.5	Confident	1 Å²	1	24 Å²	24	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-43.6	176.9	-53.2	-54.1	-36.6	0	0	111.1	L188 V228 L231 K449 L450 F451 V455 H456 V457	L188-Q453 VanDerWaalsContact CD2-NE2 3.26Å; V228-Q453 HydrophobicContact CG2-CG 4.35Å; L231-Q453 HydrophobicContact CD1-CB 4.12Å; K449-Q453 PolarHBondContact O-N 3.02Å; L450-Q453 CarbonylContact O-C 3.58Å; L450-Q453 WeakPolarHBondContact O-CB 3.35Å; L450-Q453 PolarHBondContact O-N 3.33Å; L450-Q453 VanDerWaalsContact O-N 3.09Å; F451-Q453 VanDerWaalsContact C-N 3.33Å; F451-Q453 PolarHBondContact O-N 2.97Å; Q453-V455 VanDerWaalsContact C-N 3.3Å; Q453-V455 PolarHBondContact O-N 3.4Å; Q453-H456 PolarHBondContact O-N 2.93Å; Q453-V457 VanDerWaalsContact O-CB 3.31Å; Q453-V457 WeakPolarHBondContact O-CB 3.35Å; Q453-V457 WeakPolarHBondContact O-CG2 3.35Å; Q453-V457 PolarHBondContact O-N 3.32Å
454	A	91	Very high	87.3	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.5	-43.6	179	0	0	0	0	0	111.9	I440 L443 L450 F451 V452 A458	I440-A454 HydrophobicContact CG2-CB 4.25Å; L443-A454 HydrophobicContact CB-CB 3.74Å; L450-A454 WeakPolarHBondContact O-CB 3.33Å; L450-A454 PolarHBondContact O-N 3.49Å; F451-A454 WeakPolarHBondContact O-CB 3.32Å; F451-A454 PolarHBondContact O-N 2.78Å; V452-A454 VanDerWaalsContact C-N 3.34Å; V452-A454 PolarHBondContact O-N 3.43Å; A454-A458 VanDerWaalsContact O-CB 3.25Å; A454-A458 WeakPolarHBondContact O-CB 3.1Å; A454-A458 PolarHBondContact O-N 3.32Å
455	V	91.7	Very high	87.1	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.9	-49.2	178.4	175.2	0	0	0	0	111.3	F451 V452 Q453 A458 I459 I495 Y498	F451-V455 HydrophobicContact CE1-CG2 4.13Å; F451-V455 HydrophobicContact CE2-CG2 4.17Å; F451-V455 HydrophobicContact CZ-CG2 3.9Å; F451-V455 VanDerWaalsContact O-CG2 3.32Å; F451-V455 WeakPolarHBondContact O-CG2 3.33Å; F451-V455 PolarHBondContact O-N 3.3Å; V452-V455 PolarHBondContact O-N 3.2Å; Q453-V455 VanDerWaalsContact C-N 3.3Å; Q453-V455 PolarHBondContact O-N 3.4Å; V455-A458 WeakPolarHBondContact O-CB 3.25Å; V455-A458 PolarHBondContact O-N 3.45Å; V455-I459 HydrophobicContact CG1-CD1 4.12Å; V455-I459 WeakPolarHBondContact O-CG1 3.47Å; V455-I459 PolarHBondContact O-N 3.15Å; V455-I495 HydrophobicContact CG1-CG1 4.39Å; V455-Y498 HydrophobicContact CB-CG 4.39Å; V455-Y498 HydrophobicContact CG1-CD1 3.99Å; V455-Y498 HydrophobicContact CG1-CG 3.99Å; V455-Y498 HydrophobicContact CG2-CD2 4.25Å; V455-Y498 HydrophobicContact CG2-CG 4.09Å
456	H	93.2	Very high	87.1	Confident	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-69.1	-37.7	-178.9	-64.6	92.2	0	0	0	112.4	F192 W232 V452 Q453 A458 I459 V460 Y498 Y513	F192-H456 VanDerWaalsContact CB-NE2 3.29Å; F192-H456 WeakPolarHBondContact CB-NE2 3.31Å; F192-H456 AromaticContact CD2-CE1 3.73Å; F192-H456 AromaticContact CD2-ND1 3.69Å; F192-H456 AromaticContact CG-CD2 3.83Å; F192-H456 AromaticContact CG-CE1 3.85Å; F192-H456 AromaticContact CG-CG 3.92Å; F192-H456 AromaticContact CG-ND1 3.93Å; F192-H456 AromaticContact CG-NE2 3.81Å; W232-H456 HydrophobicContact CH2-CB 4.47Å; W232-H456 HydrophobicContact CZ2-CB 4.23Å; V452-H456 PolarHBondContact O-N 2.83Å; V452-H456 PolarHBondContact O-ND1 3.29Å; Q453-H456 PolarHBondContact O-N 2.93Å; H456-A458 VanDerWaalsContact C-N 3.34Å; H456-I459 PolarHBondContact O-N 3.48Å; H456-V460 WeakPolarHBondContact O-CG2 3.21Å; H456-V460 PolarHBondContact O-N 3.23Å; H456-Y498 AromaticContact CE1-CZ 3.75Å; H456-Y498 PolarHBondContact CE1-OH 3.18Å; H456-Y513 AromaticContact NE2-CE1 3.79Å; H456-Y513 AromaticContact NE2-CZ 3.77Å; H456-Y513 PolarHBondContact NE2-OH 3.45Å
457	V	92.3	Very high	87.4	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-62.9	-42.9	172.3	172.5	0	0	0	0	110.4	L231 W232 V235 W431 I440 Q453 I459 V460 V461	L231-V457 HydrophobicContact CD2-CG2 3.84Å; W232-V457 HydrophobicContact CH2-CG2 4.02Å; W232-V457 HydrophobicContact CZ2-CG2 3.88Å; V235-V457 HydrophobicContact CG2-CG1 4.13Å; V235-V457 HydrophobicContact CG2-CG2 3.94Å; W431-V457 HydrophobicContact CH2-CG1 3.33Å; W431-V457 HydrophobicContact CZ2-CG1 4.43Å; W431-V457 HydrophobicContact CZ3-CG1 3.48Å; W431-V457 VanDerWaalsContact CZ3-CG1 3.48Å; I440-V457 HydrophobicContact CG1-CG1 4.28Å; Q453-V457 VanDerWaalsContact O-CB 3.31Å; Q453-V457 WeakPolarHBondContact O-CB 3.35Å; Q453-V457 WeakPolarHBondContact O-CG2 3.35Å; Q453-V457 PolarHBondContact O-N 3.32Å; V457-I459 VanDerWaalsContact C-N 3.34Å; V457-I459 PolarHBondContact O-N 3.06Å; V457-V460 PolarHBondContact O-N 2.9Å; V457-V461 HydrophobicContact CG1-CG2 4.15Å; V457-V461 VanDerWaalsContact O-CG2 3.22Å; V457-V461 WeakPolarHBondContact O-CG2 2.96Å; V457-V461 PolarHBondContact O-N 3.2Å
458	A	92.1	Very high	87.4	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-43	176	0	0	0	0	0	112.3	I440 A454 V455 H456 V461 Y462 L489 L491 L494	I440-A458 HydrophobicContact CD1-CB 3.96Å; I440-A458 HydrophobicContact CG2-CB 3.98Å; A454-A458 VanDerWaalsContact O-CB 3.25Å; A454-A458 WeakPolarHBondContact O-CB 3.1Å; A454-A458 PolarHBondContact O-N 3.32Å; V455-A458 WeakPolarHBondContact O-CB 3.25Å; V455-A458 PolarHBondContact O-N 3.45Å; H456-A458 VanDerWaalsContact C-N 3.34Å; A458-V461 PolarHBondContact O-N 3.1Å; A458-Y462 VanDerWaalsContact O-CB 3.22Å; A458-Y462 WeakPolarHBondContact O-CB 2.99Å; A458-Y462 PolarHBondContact O-N 3.2Å; A458-L489 HydrophobicContact CB-CD2 4.34Å; A458-L491 HydrophobicContact CB-CD1 3.79Å; A458-L494 HydrophobicContact CB-CD1 4.35Å
459	I	91.3	Very high	87.3	Confident	4 Å²	4	15.9 Å²	15.9	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-45	176.1	-66.9	163.9	0	0	0	110.9	I196 L212 V455 H456 V457 Y462 D463 I495 Y513 L516	I196-I459 HydrophobicContact CD1-CD1 4.24Å; I196-I459 HydrophobicContact CD1-CG2 4.07Å; L212-I459 HydrophobicContact CD2-CG2 3.76Å; V455-I459 HydrophobicContact CG1-CD1 4.12Å; V455-I459 WeakPolarHBondContact O-CG1 3.47Å; V455-I459 PolarHBondContact O-N 3.15Å; H456-I459 PolarHBondContact O-N 3.48Å; V457-I459 VanDerWaalsContact C-N 3.34Å; V457-I459 PolarHBondContact O-N 3.06Å; I459-Y462 PolarHBondContact O-N 3.01Å; I459-D463 PolarHBondContact O-N 2.78Å; I459-I495 HydrophobicContact CD1-CD1 4.46Å; I459-I495 HydrophobicContact CG1-CD1 4.13Å; I459-Y513 HydrophobicContact CD1-CD1 3.94Å; I459-Y513 HydrophobicContact CD1-CE1 3.89Å; I459-L516 HydrophobicContact CD1-CD1 3.73Å; I459-L516 HydrophobicContact CG1-CD1 3.97Å; I459-L516 HydrophobicContact CG2-CD1 3.77Å
460	V	89.9	Confident	86.8	Confident	2 Å²	2	12.6 Å²	12.6	1%	0.012	7%	0.071	C	C	.	.	H	α-helix	trans	-63.8	-46.2	178.6	170.8	0	0	0	0	111.5	L212 L213 M216 W232 H456 V457 Y462 D463 L464	L212-V460 HydrophobicContact CD2-CG2 4.05Å; L212-V460 HydrophobicContact CG-CG2 4.02Å; L213-V460 HydrophobicContact CB-CG1 3.81Å; L213-V460 HydrophobicContact CD1-CG1 3.86Å; L213-V460 HydrophobicContact CG-CG1 4.34Å; M216-V460 HydrophobicContact CG-CG2 4.06Å; W232-V460 HydrophobicContact CH2-CG2 4.28Å; W232-V460 HydrophobicContact CZ3-CG2 4.45Å; H456-V460 WeakPolarHBondContact O-CG2 3.21Å; H456-V460 PolarHBondContact O-N 3.23Å; V457-V460 PolarHBondContact O-N 2.9Å; V460-Y462 VanDerWaalsContact C-N 3.29Å; V460-Y462 PolarHBondContact O-N 3.17Å; V460-D463 PolarHBondContact O-N 3.41Å; V460-L464 HydrophobicContact CG1-CD1 4.34Å; V460-L464 WeakPolarHBondContact O-CG 3.23Å; V460-L464 PolarHBondContact O-N 3.22Å; V460-L464 VanDerWaalsContact O-N 3.1Å
461	V	88.8	Confident	85.7	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-35.3	178.8	179.9	0	0	0	0	110.9	L238 W431 F436 V457 A458 G465 L466 L467	L238-V461 HydrophobicContact CD1-CG2 4.24Å; W431-V461 HydrophobicContact CH2-CG2 3.47Å; W431-V461 VanDerWaalsContact CH2-CG2 3.47Å; W431-V461 HydrophobicContact CZ2-CG2 4.34Å; W431-V461 HydrophobicContact CZ3-CG2 4.2Å; F436-V461 HydrophobicContact CB-CG1 4.16Å; F436-V461 HydrophobicContact CD2-CG1 4.32Å; F436-V461 HydrophobicContact CG-CG1 4.2Å; V457-V461 HydrophobicContact CG1-CG2 4.15Å; V457-V461 VanDerWaalsContact O-CG2 3.22Å; V457-V461 WeakPolarHBondContact O-CG2 2.96Å; V457-V461 PolarHBondContact O-N 3.2Å; A458-V461 PolarHBondContact O-N 3.1Å; V461-G465 PolarHBondContact O-N 3.36Å; V461-L466 HydrophobicContact CG1-CB 3.67Å; V461-L466 PolarHBondContact O-N 2.91Å; V461-L467 HydrophobicContact CB-CB 4.41Å; V461-L467 HydrophobicContact CG1-CB 3.84Å; V461-L467 HydrophobicContact CG1-CD1 4.29Å; V461-L467 PolarHBondContact O-N 3.4Å
462	Y	88.3	Confident	84.4	Confident	62 Å²	62	17.9 Å²	17.9	24%	0.243	11%	0.108	C	C	.	.	H	α-helix	trans	-65.7	-45.8	173.7	179.7	-106	0	0	0	112.4	A458 I459 V460 L464 G465 L467 T469 L491 F520	A458-Y462 VanDerWaalsContact O-CB 3.22Å; A458-Y462 WeakPolarHBondContact O-CB 2.99Å; A458-Y462 PolarHBondContact O-N 3.2Å; I459-Y462 PolarHBondContact O-N 3.01Å; V460-Y462 VanDerWaalsContact C-N 3.29Å; V460-Y462 PolarHBondContact O-N 3.17Å; Y462-L464 VanDerWaalsContact C-N 3.26Å; Y462-L464 PolarHBondContact O-N 3.46Å; Y462-G465 WeakPolarHBondContact O-CA 3.32Å; Y462-G465 PolarHBondContact O-N 3.26Å; Y462-L467 HydrophobicContact CD2-CD2 4.5Å; Y462-T469 HydrophobicContact CD2-CG2 3.93Å; Y462-T469 HydrophobicContact CE2-CG2 4.15Å; Y462-L491 HydrophobicContact CD1-CD2 3.93Å; Y462-L491 HydrophobicContact CD2-CD2 3.72Å; Y462-L491 HydrophobicContact CE1-CD2 4.37Å; Y462-L491 HydrophobicContact CE2-CD2 4.18Å; Y462-L491 HydrophobicContact CG-CD2 3.57Å; Y462-F520 HydrophobicContact CE1-CE2 4.46Å; Y462-F520 HydrophobicContact CE2-CE2 4.09Å; Y462-F520 AromaticContact CE2-CZ 3.83Å; Y462-F520 HydrophobicContact CE2-CZ 3.83Å; Y462-F520 AromaticContact CZ-CE2 3.77Å; Y462-F520 WeakPolarHBondContact OH-CE2 3.45Å
463	D	85.1	Confident	83	Confident	39 Å²	39	21.8 Å²	21.8	21%	0.209	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-33.7	177.4	-174.1	59.4	0	0	0	112.5	Y199 K203 I459 V460 G465	Y199-D463 PolarHBondContact OH-OD1 3.38Å; K203-D463 IonicContact NZ-OD1 3.59Å; K203-D463 PolarHBondContact NZ-OD1 3.49Å; I459-D463 PolarHBondContact O-N 2.78Å; V460-D463 PolarHBondContact O-N 3.41Å; D463-G465 PolarHBondContact O-N 2.87Å
464	L	83.5	Confident	81.5	Confident	7 Å²	7	26.8 Å²	26.8	4%	0.037	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-11.4	173.1	-65.9	177.7	0	0	0	113.6	L213 L238 V242 V251 V460 Y462 L466	L213-L464 HydrophobicContact CD2-CD1 4.43Å; L238-L464 HydrophobicContact CB-CD1 4.2Å; L238-L464 HydrophobicContact CD1-CD1 4.25Å; V242-L464 HydrophobicContact CG2-CD1 4.23Å; V242-L464 HydrophobicContact CG2-CD2 3.87Å; V251-L464 WeakPolarHBondContact CB-O 3.45Å; V251-L464 PolarHBondContact N-O 3.49Å; V460-L464 HydrophobicContact CG1-CD1 4.34Å; V460-L464 WeakPolarHBondContact O-CG 3.23Å; V460-L464 PolarHBondContact O-N 3.22Å; V460-L464 VanDerWaalsContact O-N 3.1Å; Y462-L464 VanDerWaalsContact C-N 3.26Å; Y462-L464 PolarHBondContact O-N 3.46Å; L464-L466 HydrophobicContact CB-CD1 4.16Å; L464-L466 HydrophobicContact CB-CG 4.05Å; L464-L466 HydrophobicContact CD1-CD1 4.33Å
465	G	80.9	Confident	80	Confident	28 Å²	28	27.3 Å²	27.3	29%	0.289	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	15.2	-176.7	0	0	0	0	0	114.7	V461 Y462 D463	V461-G465 PolarHBondContact O-N 3.36Å; Y462-G465 WeakPolarHBondContact O-CA 3.32Å; Y462-G465 PolarHBondContact O-N 3.26Å; D463-G465 PolarHBondContact O-N 2.87Å
466	L	83.2	Confident	78.8	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	18%	0.184	C	C	.	.			trans	-93.2	-12.8	-174.4	-63.5	179.9	0	0	0	114	L238 V251 Y258 F436 V461 L464	L238-L466 HydrophobicContact CD1-CD1 4.17Å; L238-L466 HydrophobicContact CD2-CD1 4.03Å; V251-L466 HydrophobicContact CB-CD2 3.89Å; V251-L466 HydrophobicContact CG1-CD2 3.71Å; Y258-L466 HydrophobicContact CD2-CD2 4.06Å; Y258-L466 HydrophobicContact CE1-CD2 4.41Å; Y258-L466 HydrophobicContact CE2-CD1 4.2Å; Y258-L466 HydrophobicContact CE2-CD2 3.33Å; Y258-L466 HydrophobicContact CE2-CG 4.41Å; F436-L466 HydrophobicContact CD2-CB 4.36Å; F436-L466 HydrophobicContact CE2-CB 4.24Å; F436-L466 HydrophobicContact CE2-CD1 4.45Å; V461-L466 HydrophobicContact CG1-CB 3.67Å; V461-L466 PolarHBondContact O-N 2.91Å; L464-L466 HydrophobicContact CB-CD1 4.16Å; L464-L466 HydrophobicContact CB-CG 4.05Å; L464-L466 HydrophobicContact CD1-CD1 4.33Å
467	L	84.8	Confident	77.8	Confident	14 Å²	14	32.8 Å²	32.8	7%	0.073	19%	0.191	C	C	.	.			trans	-91.4	122.3	-177.5	-170	70.8	0	0	0	110.3	E437 I440 V461 Y462 T469 L489 L491	E437-L467 HydrophobicContact CG-CD1 3.99Å; I440-L467 HydrophobicContact CD1-CD1 3.76Å; V461-L467 HydrophobicContact CB-CB 4.41Å; V461-L467 HydrophobicContact CG1-CB 3.84Å; V461-L467 HydrophobicContact CG1-CD1 4.29Å; V461-L467 PolarHBondContact O-N 3.4Å; Y462-L467 HydrophobicContact CD2-CD2 4.5Å; L467-T469 HydrophobicContact CD2-CG2 3.7Å; L467-T469 HydrophobicContact CG-CG2 3.96Å; L467-L489 HydrophobicContact CD1-CB 4.14Å; L467-L489 HydrophobicContact CD1-CD2 3.79Å; L467-L489 HydrophobicContact CD2-CD2 4.03Å; L467-L489 HydrophobicContact CG-CD2 4.43Å; L467-L491 HydrophobicContact CD2-CB 4.4Å; L467-L491 HydrophobicContact CD2-CD1 4.22Å; L467-L491 HydrophobicContact CD2-CD2 4.34Å
468	T	80.9	Confident	77	Confident	36 Å²	36	34.6 Å²	34.6	22%	0.221	20%	0.2	C	C	.	.			trans	-83.1	117.4	168.7	59.5	0	0	0	0	109.6	E437 K487 R488 L489	E437-T468 VanDerWaalsContact CD-OG1 3.3Å; E437-T468 WeakPolarHBondContact OE1-CB 3.42Å; E437-T468 PolarHBondContact OE1-N 2.71Å; E437-T468 PolarHBondContact OE1-OG1 3.25Å; T468-K487 PolarHBondContact OG1-O 3.25Å; T468-R488 CarbonylContact O-C 3.56Å; T468-R488 WeakPolarHBondContact O-CA 3.31Å; T468-L489 PolarHBondContact O-N 3.49Å
469	T	79	Confident	75.9	Confident	29 Å²	29	36.6 Å²	36.6	18%	0.178	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-106.3	155.7	-176.6	58.3	0	0	0	0	112.3	Y462 L467 R488 L489 L491 F520	Y462-T469 HydrophobicContact CD2-CG2 3.93Å; Y462-T469 HydrophobicContact CE2-CG2 4.15Å; L467-T469 HydrophobicContact CD2-CG2 3.7Å; L467-T469 HydrophobicContact CG-CG2 3.96Å; T469-R488 PolarHBondContact O-NH1 3.44Å; T469-L489 VanDerWaalsContact CA-O 3.31Å; T469-L489 WeakPolarHBondContact CA-O 3.44Å; T469-L491 HydrophobicContact CG2-CB 3.96Å; T469-L491 HydrophobicContact CG2-CD2 4.33Å; T469-F520 HydrophobicContact CG2-CE1 4.39Å; T469-F520 HydrophobicContact CG2-CZ 4.1Å
470	N	72.7	Confident	74.9	Confident	11 Å²	11	40.5 Å²	40.5	6%	0.059	24%	0.236	C	C	.	.			trans	-81	141.2	165.6	-73	-19.5	0	0	0	110.2	N472 S475 T479 R488 L489	N470-N472 VanDerWaalsContact C-N 3.28Å; N470-S475 PolarHBondContact ND2-OG 3.44Å; N470-T479 VanDerWaalsContact ND2-CB 3.3Å; N470-T479 WeakPolarHBondContact ND2-CB 3.45Å; N470-T479 PolarHBondContact ND2-OG1 2.86Å; N470-R488 WeakPolarHBondContact OD1-CB 3.22Å; N470-R488 VanDerWaalsContact OD1-CD 3.3Å; N470-R488 WeakPolarHBondContact OD1-CD 3.34Å; N470-L489 PolarHBondContact N-O 3.27Å
471	S	62.2	Low	73.7	Confident	97 Å²	97	41.9 Å²	41.9	68%	0.678	24%	0.244	S	C	*	.	S	Bend	trans	-73.5	-25.2	163.6	49.8	0	0	0	0	111.8
472	N	60	Low	72.1	Confident	43 Å²	43	46.7 Å²	46.7	23%	0.23	28%	0.283	C	S	.	.			trans	-92.1	117	-173.3	177.6	9.3	0	0	0	113.2	N470 V474 S475 N490 F523	N470-N472 VanDerWaalsContact C-N 3.28Å; N472-V474 PolarHBondContact O-N 2.91Å; N472-V474 PolarHBondContact OD1-N 3.25Å; N472-S475 PolarHBondContact O-N 3.21Å; N472-S475 PolarHBondContact O-OG 3.43Å; N472-N490 PolarHBondContact O-ND2 2.83Å; N472-F523 HydrophobicContact CB-CE1 4.41Å; N472-F523 HydrophobicContact CB-CE2 4.27Å; N472-F523 HydrophobicContact CB-CZ 3.87Å; N472-F523 WeakPolarHBondContact ND2-CZ 3.4Å; N472-F523 WeakPolarHBondContact OD1-CE2 3.3Å; N472-F523 VanDerWaalsContact OD1-CZ 3.24Å; N472-F523 WeakPolarHBondContact OD1-CZ 3.46Å
473	Y	60	Low	70.6	Confident	82 Å²	82	52.1 Å²	52.1	32%	0.322	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.6	174.4	172	-110.9	0	0	0	115.2	S475 N490 V492 L496 Y522	Y473-S475 PolarHBondContact O-N 3.44Å; Y473-N490 PolarHBondContact O-ND2 3.27Å; Y473-V492 HydrophobicContact CD2-CB 4.11Å; Y473-V492 HydrophobicContact CD2-CG1 3.39Å; Y473-V492 HydrophobicContact CE2-CG1 3.94Å; Y473-V492 HydrophobicContact CG-CG1 4.39Å; Y473-L496 HydrophobicContact CD2-CD1 4.23Å; Y473-L496 HydrophobicContact CE2-CD1 3.32Å; Y473-L496 HydrophobicContact CE2-CG 4.26Å; Y473-Y522 HydrophobicContact CD1-CD1 4.42Å; Y473-Y522 AromaticContact CD1-CE1 3.67Å; Y473-Y522 HydrophobicContact CD1-CE1 3.67Å; Y473-Y522 HydrophobicContact CE1-CE1 4.43Å; Y473-Y522 HydrophobicContact CG-CD1 4.41Å; Y473-Y522 AromaticContact CG-CE1 3.7Å; Y473-Y522 HydrophobicContact CG-CE1 3.7Å
474	V	61.4	Low	69.4	Low	106 Å²	106	57.4 Å²	57.4	64%	0.642	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.4	-173.3	-171.9	0	0	0	0	112	N472 F523	N472-V474 PolarHBondContact O-N 2.91Å; N472-V474 PolarHBondContact OD1-N 3.25Å; V474-F523 HydrophobicContact CG2-CE2 4.33Å
475	S	59.2	Low	68.3	Low	11 Å²	11	61.7 Å²	61.7	8%	0.077	36%	0.359	C	S	.	.	S	Bend	trans	-66.5	148.9	-178.3	65.1	0	0	0	0	112.2	N470 N472 Y473 T479 N490 Q493	N470-S475 PolarHBondContact ND2-OG 3.44Å; N472-S475 PolarHBondContact O-N 3.21Å; N472-S475 PolarHBondContact O-OG 3.43Å; Y473-S475 PolarHBondContact O-N 3.44Å; S475-T479 WeakPolarHBondContact CB-OG1 3.46Å; S475-N490 PolarHBondContact O-ND2 3.14Å; S475-N490 PolarHBondContact OG-ND2 3.48Å; S475-Q493 PolarHBondContact O-OE1 3.39Å
476	P	66.2	Low	67.7	Low	88 Å²	88	63.3 Å²	63.3	57%	0.571	36%	0.359	S	S	*	.			trans	-53.4	157.3	171.1	-21.1	31	0	0	0	111.2	I478 T479	P476-I478 CarbonylContact O-C 3.51Å; P476-I478 PolarHBondContact O-N 2.79Å; P476-T479 PolarHBondContact O-OG1 3.46Å
477	L	72.9	Confident	67.4	Low	29 Å²	29	66.1 Å²	66.1	15%	0.152	37%	0.371	C	S	.	.	S	Bend	trans	-50.6	-36.3	-176.3	177.9	57.3	0	0	0	112.9	E441 S444 L489 N490 L494	E441-L477 HydrophobicContact CB-CD2 4.44Å; E441-L477 HydrophobicContact CG-CD2 3.78Å; E441-L477 HydrophobicContact CG-CG 4.04Å; S444-L477 WeakPolarHBondContact OG-CD2 3.42Å; L477-L489 HydrophobicContact CD1-CD1 3.8Å; L477-L489 HydrophobicContact CD1-CG 4.49Å; L477-L489 HydrophobicContact CG-CD1 4.12Å; L477-L489 WeakPolarHBondContact O-CA 3.44Å; L477-N490 PolarHBondContact O-N 3.43Å; L477-L494 HydrophobicContact CD1-CD1 3.95Å; L477-L494 HydrophobicContact CD1-CD2 3.54Å; L477-L494 HydrophobicContact CD1-CG 3.42Å; L477-L494 VanDerWaalsContact CD1-CG 3.42Å; L477-L494 HydrophobicContact CD2-CD2 4Å; L477-L494 HydrophobicContact CG-CD2 4.45Å
478	I	75.2	Confident	67.1	Low	37 Å²	37	69.3 Å²	69.3	19%	0.19	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.6	167	-68.9	-73.4	0	0	0	109.3	E437 E441 P476 K487 R488 L489	E437-I478 HydrophobicContact CB-CD1 3.87Å; E437-I478 WeakPolarHBondContact O-CD1 3.23Å; E441-I478 HydrophobicContact CB-CD1 4.05Å; E441-I478 HydrophobicContact CB-CG1 3.64Å; E441-I478 HydrophobicContact CG-CD1 4.49Å; E441-I478 HydrophobicContact CG-CG1 3.57Å; P476-I478 CarbonylContact O-C 3.51Å; P476-I478 PolarHBondContact O-N 2.79Å; I478-K487 HydrophobicContact CG2-CB 4.16Å; I478-K487 HydrophobicContact CG2-CD 4.43Å; I478-R488 WeakPolarHBondContact CA-O 3.32Å; I478-L489 HydrophobicContact CD1-CB 4.29Å; I478-L489 HydrophobicContact CD1-CD1 3.63Å; I478-L489 HydrophobicContact CG1-CD1 4.32Å
479	T	69.1	Low	67.3	Low	43 Å²	43	67.6 Å²	67.6	26%	0.264	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.8	168.5	-55	0	0	0	0	109.2	N470 S475 P476 K487 R488	N470-T479 VanDerWaalsContact ND2-CB 3.3Å; N470-T479 WeakPolarHBondContact ND2-CB 3.45Å; N470-T479 PolarHBondContact ND2-OG1 2.86Å; S475-T479 WeakPolarHBondContact CB-OG1 3.46Å; P476-T479 PolarHBondContact O-OG1 3.46Å; T479-K487 CarbonylContact O-C 3.5Å; T479-K487 WeakPolarHBondContact O-CA 3.34Å; T479-R488 PolarHBondContact N-O 3.06Å; T479-R488 PolarHBondContact O-N 3.18Å
480	V	70.3	Confident	67.5	Low	85 Å²	85	66.2 Å²	66.2	52%	0.515	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.9	172.1	-174.4	0	0	0	0	107.4	A482 K487	V480-A482 PolarHBondContact O-N 2.87Å; V480-K487 HydrophobicContact CG2-CG 4.37Å
481	D	64	Low	68.2	Low	32 Å²	32	65.8 Å²	65.8	17%	0.171	36%	0.361	C	S	.	.			trans	-67.7	120.9	171.3	-166.4	-22.2	0	0	0	109.4	E483 S485 E486 R488	D481-E483 PolarHBondContact O-N 3.24Å; D481-E483 PolarHBondContact OD1-N 3.27Å; D481-S485 WeakPolarHBondContact O-CA 3.34Å; D481-S485 PolarHBondContact O-N 2.67Å; D481-E486 HydrophobicContact CB-CB 4.49Å; D481-E486 PolarHBondContact N-O 3.41Å; D481-R488 IonicContact OD2-CZ 2.68Å; D481-R488 VanDerWaalsContact OD2-CZ 3.29Å; D481-R488 IonicContact OD2-NE 3.23Å; D481-R488 PolarHBondContact OD2-NE 3.42Å; D481-R488 VanDerWaalsContact OD2-NE 3.08Å; D481-R488 IonicContact OD2-NH2 3.95Å; D481-R488 PolarHBondContact OD2-NH2 3.2Å
482	A	55.7	Low	69.1	Low	100 Å²	100	61.3 Å²	61.3	83%	0.826	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.2	-176.6	0	0	0	0	0	112.5	V480	V480-A482 PolarHBondContact O-N 2.87Å
483	E	55.8	Low	70.2	Confident	176 Å²	176	62.9 Å²	62.9	82%	0.822	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-35.9	-175.3	-64.5	-170.5	170.4	0	0	113.2	D481	D481-E483 PolarHBondContact O-N 3.24Å; D481-E483 PolarHBondContact OD1-N 3.27Å
484	R	60.3	Low	71.3	Confident	150 Å²	150	59.1 Å²	59.1	57%	0.566	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-4.2	-172.4	-61.6	-170.8	179.3	-169.8	-1.1	114.5	D254 E486	D254-R484 IonicContact OD2-NH1 3.45Å; R484-E486 HydrophobicContact CB-CB 4.15Å; R484-E486 HydrophobicContact CB-CG 3.71Å; R484-E486 WeakPolarHBondContact CD-OE1 3.29Å; R484-E486 IonicContact NH1-OE1 3.87Å; R484-E486 PolarHBondContact O-N 2.79Å; R484-E486 VanDerWaalsContact O-N 3.15Å
485	S	60.3	Low	72.5	Confident	98 Å²	98	54.1 Å²	54.1	69%	0.685	29%	0.291	S	S	*	.			trans	54.5	21	-166.3	-55.7	0	0	0	0	113.1	D481	D481-S485 WeakPolarHBondContact O-CA 3.34Å; D481-S485 PolarHBondContact O-N 2.67Å
486	E	68.1	Low	73.7	Confident	61 Å²	61	54 Å²	54	29%	0.285	29%	0.289	S	S	.	.			trans	-80.6	135.3	179.3	-76.7	171.4	-162.8	0	0	109.3	D481 R484	D481-E486 HydrophobicContact CB-CB 4.49Å; D481-E486 PolarHBondContact N-O 3.41Å; R484-E486 HydrophobicContact CB-CB 4.15Å; R484-E486 HydrophobicContact CB-CG 3.71Å; R484-E486 WeakPolarHBondContact CD-OE1 3.29Å; R484-E486 IonicContact NH1-OE1 3.87Å; R484-E486 PolarHBondContact O-N 2.79Å; R484-E486 VanDerWaalsContact O-N 3.15Å
487	K	76.7	Confident	74.6	Confident	60 Å²	60	56.3 Å²	56.3	26%	0.261	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.7	178.1	-60	-173.2	-176.7	175.7	0	108.5	E437 L438 T468 I478 T479 V480	E437-K487 VanDerWaalsContact CG-O 3.25Å; E437-K487 WeakPolarHBondContact CG-O 3.42Å; L438-K487 HydrophobicContact CD1-CD 3.7Å; L438-K487 HydrophobicContact CD2-CD 3.44Å; L438-K487 VanDerWaalsContact CD2-CD 3.44Å; L438-K487 HydrophobicContact CG-CD 3.57Å; T468-K487 PolarHBondContact OG1-O 3.25Å; I478-K487 HydrophobicContact CG2-CB 4.16Å; I478-K487 HydrophobicContact CG2-CD 4.43Å; T479-K487 CarbonylContact O-C 3.5Å; T479-K487 WeakPolarHBondContact O-CA 3.34Å; V480-K487 HydrophobicContact CG2-CG 4.37Å
488	R	80	Confident	75.2	Confident	81 Å²	81	55.1 Å²	55.1	31%	0.306	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.9	-179.8	-63.5	174.8	178.3	-111.8	5.4	109.9	T468 T469 N470 I478 T479 D481	T468-R488 CarbonylContact O-C 3.56Å; T468-R488 WeakPolarHBondContact O-CA 3.31Å; T469-R488 PolarHBondContact O-NH1 3.44Å; N470-R488 WeakPolarHBondContact OD1-CB 3.22Å; N470-R488 VanDerWaalsContact OD1-CD 3.3Å; N470-R488 WeakPolarHBondContact OD1-CD 3.34Å; I478-R488 WeakPolarHBondContact CA-O 3.32Å; T479-R488 PolarHBondContact N-O 3.06Å; T479-R488 PolarHBondContact O-N 3.18Å; D481-R488 IonicContact OD2-CZ 2.68Å; D481-R488 VanDerWaalsContact OD2-CZ 3.29Å; D481-R488 IonicContact OD2-NE 3.23Å; D481-R488 PolarHBondContact OD2-NE 3.42Å; D481-R488 VanDerWaalsContact OD2-NE 3.08Å; D481-R488 IonicContact OD2-NH2 3.95Å; D481-R488 PolarHBondContact OD2-NH2 3.2Å
489	L	84.9	Confident	75.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.7	-180	-171.9	75.1	0	0	0	111.1	E437 I440 E441 A458 L467 T468 T469 N470 L477 I478 L491 L494	E437-L489 HydrophobicContact CB-CB 4.21Å; E437-L489 HydrophobicContact CG-CB 4.11Å; I440-L489 HydrophobicContact CB-CD2 4.08Å; I440-L489 HydrophobicContact CD1-CD2 4.01Å; I440-L489 HydrophobicContact CG2-CD1 4.44Å; I440-L489 HydrophobicContact CG2-CD2 3.67Å; E441-L489 HydrophobicContact CB-CD1 4.36Å; A458-L489 HydrophobicContact CB-CD2 4.34Å; L467-L489 HydrophobicContact CD1-CB 4.14Å; L467-L489 HydrophobicContact CD1-CD2 3.79Å; L467-L489 HydrophobicContact CD2-CD2 4.03Å; L467-L489 HydrophobicContact CG-CD2 4.43Å; T468-L489 PolarHBondContact O-N 3.49Å; T469-L489 VanDerWaalsContact CA-O 3.31Å; T469-L489 WeakPolarHBondContact CA-O 3.44Å; N470-L489 PolarHBondContact N-O 3.27Å; L477-L489 HydrophobicContact CD1-CD1 3.8Å; L477-L489 HydrophobicContact CD1-CG 4.49Å; L477-L489 HydrophobicContact CG-CD1 4.12Å; L477-L489 WeakPolarHBondContact O-CA 3.44Å; I478-L489 HydrophobicContact CD1-CB 4.29Å; I478-L489 HydrophobicContact CD1-CD1 3.63Å; I478-L489 HydrophobicContact CG1-CD1 4.32Å; L489-L491 VanDerWaalsContact C-N 3.35Å; L489-L491 PolarHBondContact O-N 3.44Å; L489-L494 HydrophobicContact CD1-CD1 4.13Å; L489-L494 HydrophobicContact CD2-CD1 3.66Å; L489-L494 HydrophobicContact CG-CD1 4.05Å
490	N	83.3	Confident	76.3	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	28%	0.28	C	S	.	.			trans	-80.1	82.9	170.6	-169.1	-16.9	0	0	0	110.5	N472 Y473 S475 L477 V492 Q493 L494	N472-N490 PolarHBondContact O-ND2 2.83Å; Y473-N490 PolarHBondContact O-ND2 3.27Å; S475-N490 PolarHBondContact O-ND2 3.14Å; S475-N490 PolarHBondContact OG-ND2 3.48Å; L477-N490 PolarHBondContact O-N 3.43Å; N490-V492 VanDerWaalsContact C-N 3.26Å; N490-V492 PolarHBondContact O-N 3.43Å; N490-V492 PolarHBondContact OD1-N 2.64Å; N490-Q493 HydrophobicContact CB-CB 4.12Å; N490-Q493 PolarHBondContact O-N 3.05Å; N490-Q493 PolarHBondContact OD1-N 3.18Å; N490-L494 PolarHBondContact O-N 2.73Å
491	L	86.3	Confident	76.8	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-36.3	179.4	-178.3	63.9	0	0	0	112.2	A458 Y462 L467 T469 L489 L494 I495 L517 F520	A458-L491 HydrophobicContact CB-CD1 3.79Å; Y462-L491 HydrophobicContact CD1-CD2 3.93Å; Y462-L491 HydrophobicContact CD2-CD2 3.72Å; Y462-L491 HydrophobicContact CE1-CD2 4.37Å; Y462-L491 HydrophobicContact CE2-CD2 4.18Å; Y462-L491 HydrophobicContact CG-CD2 3.57Å; L467-L491 HydrophobicContact CD2-CB 4.4Å; L467-L491 HydrophobicContact CD2-CD1 4.22Å; L467-L491 HydrophobicContact CD2-CD2 4.34Å; T469-L491 HydrophobicContact CG2-CB 3.96Å; T469-L491 HydrophobicContact CG2-CD2 4.33Å; L489-L491 VanDerWaalsContact C-N 3.35Å; L489-L491 PolarHBondContact O-N 3.44Å; L491-L494 PolarHBondContact O-N 3.34Å; L491-I495 HydrophobicContact CD1-CD1 3.97Å; L491-I495 HydrophobicContact CD1-CG1 4.32Å; L491-I495 HydrophobicContact CD2-CD1 4.49Å; L491-I495 HydrophobicContact CG-CD1 3.96Å; L491-I495 PolarHBondContact O-N 3.37Å; L491-L517 HydrophobicContact CG-CD2 4.34Å; L491-F520 HydrophobicContact CB-CZ 4.47Å; L491-F520 HydrophobicContact CD2-CE2 4.3Å; L491-F520 HydrophobicContact CD2-CZ 4.14Å
492	V	82.2	Confident	77.8	Confident	3 Å²	3	56 Å²	56	2%	0.018	28%	0.279	C	S	.	.	H	α-helix	trans	-58.5	-51.4	177.5	-179.1	0	0	0	0	109.6	Y473 N490 L494 I495 L496 L517 F520 V528	Y473-V492 HydrophobicContact CD2-CB 4.11Å; Y473-V492 HydrophobicContact CD2-CG1 3.39Å; Y473-V492 HydrophobicContact CE2-CG1 3.94Å; Y473-V492 HydrophobicContact CG-CG1 4.39Å; N490-V492 VanDerWaalsContact C-N 3.26Å; N490-V492 PolarHBondContact O-N 3.43Å; N490-V492 PolarHBondContact OD1-N 2.64Å; V492-L494 VanDerWaalsContact C-N 3.33Å; V492-L494 PolarHBondContact O-N 3.46Å; V492-I495 PolarHBondContact O-N 3.01Å; V492-L496 HydrophobicContact CG1-CD1 4.19Å; V492-L496 HydrophobicContact CG1-CG 4.1Å; V492-L496 WeakPolarHBondContact O-CB 3.29Å; V492-L496 VanDerWaalsContact O-CG 3.3Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 3.05Å; V492-L517 HydrophobicContact CB-CD1 4.49Å; V492-L517 HydrophobicContact CG1-CD1 4.12Å; V492-L517 HydrophobicContact CG2-CD2 4.01Å; V492-F520 HydrophobicContact CG2-CB 4.08Å; V492-F520 HydrophobicContact CG2-CD1 3.81Å; V492-F520 HydrophobicContact CG2-CD2 4.41Å; V492-F520 HydrophobicContact CG2-CE1 4.36Å; V492-F520 HydrophobicContact CG2-CG 3.84Å; V492-V528 HydrophobicContact CG1-CG1 3.87Å
493	Q	81.4	Confident	79	Confident	76 Å²	76	53 Å²	53	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-38.9	-179.3	-170.2	-178.4	15.6	0	0	112.7	S475 N490 R497	S475-Q493 PolarHBondContact O-OE1 3.39Å; N490-Q493 HydrophobicContact CB-CB 4.12Å; N490-Q493 PolarHBondContact O-N 3.05Å; N490-Q493 PolarHBondContact OD1-N 3.18Å; Q493-R497 VanDerWaalsContact O-CB 3.24Å; Q493-R497 WeakPolarHBondContact O-CB 3.3Å; Q493-R497 PolarHBondContact O-N 3.29Å
494	L	84.5	Confident	80.2	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-49.5	175.9	-75.7	177.5	0	0	0	112.2	I440 F451 A458 L477 L489 N490 L491 V492 R497 Y498	I440-L494 HydrophobicContact CG2-CD1 3.79Å; F451-L494 HydrophobicContact CE2-CD2 4Å; A458-L494 HydrophobicContact CB-CD1 4.35Å; L477-L494 HydrophobicContact CD1-CD1 3.95Å; L477-L494 HydrophobicContact CD1-CD2 3.54Å; L477-L494 HydrophobicContact CD1-CG 3.42Å; L477-L494 VanDerWaalsContact CD1-CG 3.42Å; L477-L494 HydrophobicContact CD2-CD2 4Å; L477-L494 HydrophobicContact CG-CD2 4.45Å; L489-L494 HydrophobicContact CD1-CD1 4.13Å; L489-L494 HydrophobicContact CD2-CD1 3.66Å; L489-L494 HydrophobicContact CG-CD1 4.05Å; N490-L494 PolarHBondContact O-N 2.73Å; L491-L494 PolarHBondContact O-N 3.34Å; V492-L494 VanDerWaalsContact C-N 3.33Å; V492-L494 PolarHBondContact O-N 3.46Å; L494-R497 PolarHBondContact O-N 2.82Å; L494-Y498 WeakPolarHBondContact O-CB 3.37Å; L494-Y498 PolarHBondContact O-N 2.79Å
495	I	87.1	Confident	81.3	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-43.1	-178.9	-72.3	173.9	0	0	0	110.3	V455 I459 L491 V492 R497 Y498 C499 Y514 L517	V455-I495 HydrophobicContact CG1-CG1 4.39Å; I459-I495 HydrophobicContact CD1-CD1 4.46Å; I459-I495 HydrophobicContact CG1-CD1 4.13Å; L491-I495 HydrophobicContact CD1-CD1 3.97Å; L491-I495 HydrophobicContact CD1-CG1 4.32Å; L491-I495 HydrophobicContact CD2-CD1 4.49Å; L491-I495 HydrophobicContact CG-CD1 3.96Å; L491-I495 PolarHBondContact O-N 3.37Å; V492-I495 PolarHBondContact O-N 3.01Å; I495-R497 PolarHBondContact O-N 3.48Å; I495-Y498 PolarHBondContact O-N 3.09Å; I495-C499 WeakPolarHBondContact O-CB 3.21Å; I495-C499 PolarHBondContact O-N 3.11Å; I495-C499 PolarHBondContact O-SG 3.17Å; I495-Y514 HydrophobicContact CG2-CD1 4.35Å; I495-L517 HydrophobicContact CB-CD1 4.16Å; I495-L517 HydrophobicContact CD1-CD2 3.73Å; I495-L517 HydrophobicContact CD1-CG 4.15Å; I495-L517 HydrophobicContact CG2-CD1 3.9Å; I495-L517 HydrophobicContact CG2-CG 4.37Å
496	L	83.7	Confident	82.4	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-62	-44.2	176.6	-66.9	-159.1	0	0	0	112	Y473 V492 Y498 C499 N500 Y514 L517 M532	Y473-L496 HydrophobicContact CD2-CD1 4.23Å; Y473-L496 HydrophobicContact CE2-CD1 3.32Å; Y473-L496 HydrophobicContact CE2-CG 4.26Å; V492-L496 HydrophobicContact CG1-CD1 4.19Å; V492-L496 HydrophobicContact CG1-CG 4.1Å; V492-L496 WeakPolarHBondContact O-CB 3.29Å; V492-L496 VanDerWaalsContact O-CG 3.3Å; V492-L496 WeakPolarHBondContact O-CG 3.44Å; V492-L496 PolarHBondContact O-N 3.05Å; L496-Y498 VanDerWaalsContact C-N 3.27Å; L496-Y498 PolarHBondContact O-N 3.42Å; L496-C499 PolarHBondContact O-N 3Å; L496-N500 WeakPolarHBondContact O-CB 3.35Å; L496-N500 PolarHBondContact O-N 2.89Å; L496-N500 PolarHBondContact O-ND2 2.83Å; L496-N500 PolarHBondContact O-OD1 2.97Å; L496-Y514 HydrophobicContact CD2-CD1 3.82Å; L496-Y514 HydrophobicContact CD2-CE1 3.39Å; L496-L517 HydrophobicContact CD2-CD1 4.35Å; L496-M532 HydrophobicContact CD1-CE 4.15Å; L496-M532 HydrophobicContact CD1-SD 3.74Å; L496-M532 HydrophobicContact CD2-CE 3.55Å; L496-M532 HydrophobicContact CD2-CG 3.95Å; L496-M532 HydrophobicContact CD2-SD 3.81Å; L496-M532 HydrophobicContact CG-CE 4.47Å; L496-M532 HydrophobicContact CG-SD 4.47Å
497	R	84	Confident	83.2	Confident	137 Å²	137	42.4 Å²	42.4	52%	0.517	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-38.3	176.4	-177	178.8	178.1	-163.3	-1.3	111.6	F451 Q493 L494 I495	F451-R497 HydrophobicContact CE1-CG 4.36Å; F451-R497 HydrophobicContact CE2-CG 4.3Å; F451-R497 HydrophobicContact CZ-CB 3.94Å; F451-R497 HydrophobicContact CZ-CG 3.69Å; Q493-R497 VanDerWaalsContact O-CB 3.24Å; Q493-R497 WeakPolarHBondContact O-CB 3.3Å; Q493-R497 PolarHBondContact O-N 3.29Å; L494-R497 PolarHBondContact O-N 2.82Å; I495-R497 PolarHBondContact O-N 3.48Å
498	Y	86.4	Confident	83.7	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-69	-46.2	176.3	-179.3	-110.5	0	0	0	113	F451 V452 V455 H456 L494 I495 L496 N500 D501 F502 Y513	F451-Y498 HydrophobicContact CD1-CD2 4.44Å; F451-Y498 HydrophobicContact CE1-CD2 4.02Å; F451-Y498 HydrophobicContact CE1-CG 4.48Å; V452-Y498 HydrophobicContact CB-CE2 4.32Å; V452-Y498 HydrophobicContact CG1-CE2 4.04Å; V452-Y498 HydrophobicContact CG2-CE2 3.86Å; V455-Y498 HydrophobicContact CB-CG 4.39Å; V455-Y498 HydrophobicContact CG1-CD1 3.99Å; V455-Y498 HydrophobicContact CG1-CG 3.99Å; V455-Y498 HydrophobicContact CG2-CD2 4.25Å; V455-Y498 HydrophobicContact CG2-CG 4.09Å; H456-Y498 AromaticContact CE1-CZ 3.75Å; H456-Y498 PolarHBondContact CE1-OH 3.18Å; L494-Y498 WeakPolarHBondContact O-CB 3.37Å; L494-Y498 PolarHBondContact O-N 2.79Å; I495-Y498 PolarHBondContact O-N 3.09Å; L496-Y498 VanDerWaalsContact C-N 3.27Å; L496-Y498 PolarHBondContact O-N 3.42Å; Y498-N500 VanDerWaalsContact C-N 3.3Å; Y498-N500 PolarHBondContact O-N 3.41Å; Y498-D501 PolarHBondContact O-N 3.35Å; Y498-F502 AromaticContact CD1-CE1 3.68Å; Y498-F502 HydrophobicContact CD1-CE1 3.68Å; Y498-F502 AromaticContact CD1-CZ 3.99Å; Y498-F502 HydrophobicContact CD1-CZ 3.99Å; Y498-F502 AromaticContact CE1-CE1 3.47Å; Y498-F502 HydrophobicContact CE1-CE1 3.47Å; Y498-F502 VanDerWaalsContact CE1-CE1 3.47Å; Y498-F502 AromaticContact CE1-CZ 3.71Å; Y498-F502 HydrophobicContact CE1-CZ 3.71Å; Y498-F502 HydrophobicContact CE2-CE1 4.4Å; Y498-F502 HydrophobicContact CG-CE1 4.25Å; Y498-F502 AromaticContact CZ-CE1 3.87Å; Y498-F502 WeakPolarHBondContact O-CD1 3.2Å; Y498-F502 VanDerWaalsContact O-CE1 3.23Å; Y498-F502 WeakPolarHBondContact O-CE1 3.46Å; Y498-Y513 HydrophobicContact CD1-CD1 4.34Å; Y498-Y513 HydrophobicContact CD1-CE1 4.11Å; Y498-Y513 HydrophobicContact CE1-CD1 4.35Å; Y498-Y513 AromaticContact CE1-CE1 3.73Å; Y498-Y513 HydrophobicContact CE1-CE1 3.73Å; Y498-Y513 HydrophobicContact CE1-CE2 4.02Å; Y498-Y513 AromaticContact CE1-CZ 3.58Å
499	C	86.7	Confident	84	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69	-26.9	-179.7	-67.3	0	0	0	0	113	I495 L496 D501 F502 R503 Y513 Y514	I495-C499 WeakPolarHBondContact O-CB 3.21Å; I495-C499 PolarHBondContact O-N 3.11Å; I495-C499 PolarHBondContact O-SG 3.17Å; L496-C499 PolarHBondContact O-N 3Å; C499-D501 PolarHBondContact O-N 3.42Å; C499-D501 VanDerWaalsContact O-N 3.1Å; C499-F502 HydrophobicContact CB-CZ 4.43Å; C499-F502 PolarHBondContact O-N 3.25Å; C499-F502 VanDerWaalsContact O-N 3.08Å; C499-R503 WeakPolarHBondContact O-CB 3.24Å; C499-R503 WeakPolarHBondContact O-CG 3.5Å; C499-R503 PolarHBondContact O-N 3.31Å; C499-Y513 WeakPolarHBondContact SG-CB 3.3Å; C499-Y514 HydrophobicContact CB-CE1 3.5Å; C499-Y514 WeakPolarHBondContact CB-OH 3.21Å
500	N	81.6	Confident	84.2	Confident	86 Å²	86	43.4 Å²	43.4	46%	0.46	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.1	177.5	-81.8	-17.2	0	0	0	113.3	L496 Y498 F502 R503	L496-N500 WeakPolarHBondContact O-CB 3.35Å; L496-N500 PolarHBondContact O-N 2.89Å; L496-N500 PolarHBondContact O-ND2 2.83Å; L496-N500 PolarHBondContact O-OD1 2.97Å; Y498-N500 VanDerWaalsContact C-N 3.3Å; Y498-N500 PolarHBondContact O-N 3.41Å; N500-F502 PolarHBondContact O-N 3.37Å; N500-R503 PolarHBondContact OD1-NE 3.17Å
501	D	80.3	Confident	84.4	Confident	106 Å²	106	43.3 Å²	43.3	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-29.8	179.6	-72.9	-1.8	0	0	0	113.6	K189 Y498 C499	K189-D501 IonicContact NZ-OD2 3.72Å; Y498-D501 PolarHBondContact O-N 3.35Å; C499-D501 PolarHBondContact O-N 3.42Å; C499-D501 VanDerWaalsContact O-N 3.1Å
502	F	84.9	Confident	84.6	Confident	24 Å²	24	43.2 Å²	43.2	11%	0.105	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	2.3	-169.2	64.9	-92.6	0	0	0	115.2	Y498 C499 N500 T504 T505 N506 Q509 A510 Y513	Y498-F502 AromaticContact CD1-CE1 3.68Å; Y498-F502 HydrophobicContact CD1-CE1 3.68Å; Y498-F502 AromaticContact CD1-CZ 3.99Å; Y498-F502 HydrophobicContact CD1-CZ 3.99Å; Y498-F502 AromaticContact CE1-CE1 3.47Å; Y498-F502 HydrophobicContact CE1-CE1 3.47Å; Y498-F502 VanDerWaalsContact CE1-CE1 3.47Å; Y498-F502 AromaticContact CE1-CZ 3.71Å; Y498-F502 HydrophobicContact CE1-CZ 3.71Å; Y498-F502 HydrophobicContact CE2-CE1 4.4Å; Y498-F502 HydrophobicContact CG-CE1 4.25Å; Y498-F502 AromaticContact CZ-CE1 3.87Å; Y498-F502 WeakPolarHBondContact O-CD1 3.2Å; Y498-F502 VanDerWaalsContact O-CE1 3.23Å; Y498-F502 WeakPolarHBondContact O-CE1 3.46Å; C499-F502 HydrophobicContact CB-CZ 4.43Å; C499-F502 PolarHBondContact O-N 3.25Å; C499-F502 VanDerWaalsContact O-N 3.08Å; N500-F502 PolarHBondContact O-N 3.37Å; F502-T504 PolarHBondContact O-N 2.83Å; F502-T504 VanDerWaalsContact O-N 3.16Å; F502-T505 WeakPolarHBondContact CA-OG1 3.21Å; F502-T505 PolarHBondContact O-N 3.4Å; F502-T505 VanDerWaalsContact O-N 3.1Å; F502-T505 PolarHBondContact O-OG1 3.3Å; F502-N506 HydrophobicContact CD2-CB 4.12Å; F502-N506 PolarHBondContact O-N 2.79Å; F502-Q509 HydrophobicContact CE2-CB 4.24Å; F502-A510 HydrophobicContact CD2-CB 4.38Å; F502-A510 HydrophobicContact CE2-CB 3.99Å; F502-Y513 HydrophobicContact CE2-CD2 4.31Å; F502-Y513 HydrophobicContact CE2-CE2 4.42Å; F502-Y513 AromaticContact CZ-CD2 3.9Å; F502-Y513 HydrophobicContact CZ-CD2 3.9Å; F502-Y513 AromaticContact CZ-CE2 3.92Å; F502-Y513 HydrophobicContact CZ-CE2 3.92Å
503	R	81.4	Confident	85	Confident	37 Å²	37	43.1 Å²	43.1	14%	0.14	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.3	-176.3	61.9	-175.9	-174.3	133.9	14.5	114.6	C499 N500 T507 A510 L536 E539	C499-R503 WeakPolarHBondContact O-CB 3.24Å; C499-R503 WeakPolarHBondContact O-CG 3.5Å; C499-R503 PolarHBondContact O-N 3.31Å; N500-R503 PolarHBondContact OD1-NE 3.17Å; R503-T507 WeakPolarHBondContact O-CA 3.2Å; R503-A510 HydrophobicContact CB-CB 3.96Å; R503-L536 HydrophobicContact CB-CD1 3.84Å; R503-L536 HydrophobicContact CG-CD1 4.36Å; R503-E539 IonicContact CZ-OE1 2.88Å; R503-E539 IonicContact CZ-OE2 2.73Å; R503-E539 IonicContact NE-OE2 3.14Å; R503-E539 IonicContact NH1-OE1 3.31Å; R503-E539 PolarHBondContact NH1-OE1 3.07Å; R503-E539 IonicContact NH1-OE2 3.87Å; R503-E539 PolarHBondContact NH1-OE2 2.98Å; R503-E539 IonicContact NH2-OE1 2.65Å; R503-E539 PolarHBondContact NH2-OE1 3.07Å; R503-E539 IonicContact NH2-OE2 3.4Å; R503-E539 PolarHBondContact NH2-OE2 3.27Å
504	T	80.2	Confident	85.3	Confident	88 Å²	88	39.6 Å²	39.6	54%	0.54	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-23.5	177.3	52.5	0	0	0	0	113.4	F502	F502-T504 PolarHBondContact O-N 2.83Å; F502-T504 VanDerWaalsContact O-N 3.16Å
505	T	84	Confident	85.5	Confident	102 Å²	102	40.1 Å²	40.1	63%	0.626	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-40.5	-179.7	51.3	0	0	0	0	111.8	F502	F502-T505 WeakPolarHBondContact CA-OG1 3.21Å; F502-T505 PolarHBondContact O-N 3.4Å; F502-T505 VanDerWaalsContact O-N 3.1Å; F502-T505 PolarHBondContact O-OG1 3.3Å
506	N	83.9	Confident	85.4	Confident	60 Å²	60	40.7 Å²	40.7	32%	0.321	20%	0.198	S	C	.	.			trans	-125	65	-178.4	-70.8	-16.5	0	0	0	110.9	F502 R508 Q509 A510	F502-N506 HydrophobicContact CD2-CB 4.12Å; F502-N506 PolarHBondContact O-N 2.79Å; N506-R508 VanDerWaalsContact C-N 3.26Å; N506-R508 PolarHBondContact O-N 3.47Å; N506-Q509 HydrophobicContact CB-CB 4.32Å; N506-Q509 PolarHBondContact ND2-OE1 3.47Å; N506-Q509 VanDerWaalsContact ND2-OE1 3.09Å; N506-Q509 PolarHBondContact O-N 2.84Å; N506-Q509 VanDerWaalsContact O-N 3.17Å; N506-A510 PolarHBondContact O-N 2.97Å; N506-A510 VanDerWaalsContact O-N 3.14Å
507	T	84.6	Confident	85.5	Confident	12 Å²	12	40.3 Å²	40.3	7%	0.074	20%	0.196	C	C	.	.	H	α-helix	trans	-51.3	-42.8	-177	-41.3	0	0	0	0	112.9	R503 A510 L511 L536 T540 E542 L546	R503-T507 WeakPolarHBondContact O-CA 3.2Å; T507-A510 PolarHBondContact O-N 2.72Å; T507-L511 WeakPolarHBondContact O-CG 3.45Å; T507-L511 PolarHBondContact O-N 3.43Å; T507-L511 VanDerWaalsContact O-N 3.09Å; T507-L536 HydrophobicContact CG2-CD1 4.33Å; T507-L536 HydrophobicContact CG2-CD2 3.56Å; T507-L536 HydrophobicContact CG2-CG 3.88Å; T507-T540 HydrophobicContact CG2-CG2 4.09Å; T507-E542 PolarHBondContact OG1-OE2 3.08Å; T507-L546 HydrophobicContact CG2-CD1 4.11Å; T507-L546 HydrophobicContact CG2-CD2 3.79Å; T507-L546 HydrophobicContact CG2-CG 4.41Å
508	R	85.4	Confident	85.4	Confident	139 Å²	139	36.8 Å²	36.8	53%	0.525	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-46.5	-179.4	176.7	174.8	175.7	152.9	0.2	113	N506 L511 D512 L560	N506-R508 VanDerWaalsContact C-N 3.26Å; N506-R508 PolarHBondContact O-N 3.47Å; R508-L511 PolarHBondContact O-N 3.23Å; R508-D512 PolarHBondContact O-N 3.26Å; R508-L560 HydrophobicContact CB-CD2 3.86Å; R508-L560 HydrophobicContact CG-CD1 4.28Å; R508-L560 HydrophobicContact CG-CD2 3.88Å
509	Q	87.3	Confident	85	Confident	23 Å²	23	41.7 Å²	41.7	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-67	-42.2	-179.6	-70.4	175.4	-17.3	0	0	110.1	A193 F502 N506 L511 D512 Y513	A193-Q509 HydrophobicContact CB-CB 4.41Å; A193-Q509 HydrophobicContact CB-CG 4.15Å; F502-Q509 HydrophobicContact CE2-CB 4.24Å; N506-Q509 HydrophobicContact CB-CB 4.32Å; N506-Q509 PolarHBondContact ND2-OE1 3.47Å; N506-Q509 VanDerWaalsContact ND2-OE1 3.09Å; N506-Q509 PolarHBondContact O-N 2.84Å; N506-Q509 VanDerWaalsContact O-N 3.17Å; Q509-L511 VanDerWaalsContact C-N 3.25Å; Q509-L511 PolarHBondContact O-N 2.98Å; Q509-D512 WeakPolarHBondContact O-CB 3.28Å; Q509-D512 PolarHBondContact O-N 3.06Å; Q509-Y513 WeakPolarHBondContact O-CD2 3.17Å; Q509-Y513 PolarHBondContact O-N 3.42Å; Q509-Y513 VanDerWaalsContact O-N 3.13Å
510	A	88.3	Confident	84.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-38.2	177.1	0	0	0	0	0	112.3	F502 R503 N506 T507 Y513 Y514	F502-A510 HydrophobicContact CD2-CB 4.38Å; F502-A510 HydrophobicContact CE2-CB 3.99Å; R503-A510 HydrophobicContact CB-CB 3.96Å; N506-A510 PolarHBondContact O-N 2.97Å; N506-A510 VanDerWaalsContact O-N 3.14Å; T507-A510 PolarHBondContact O-N 2.72Å; A510-Y513 PolarHBondContact O-N 3.08Å; A510-Y514 HydrophobicContact CB-CE2 4.4Å; A510-Y514 WeakPolarHBondContact O-CD2 3.47Å; A510-Y514 VanDerWaalsContact O-CG 3.28Å; A510-Y514 PolarHBondContact O-N 2.95Å
511	L	89	Confident	84.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-38	174.1	-75.2	171	0	0	0	113.4	T507 R508 Q509 Y513 Y514 Y515 F533 L536 L546 L560 Y564	T507-L511 WeakPolarHBondContact O-CG 3.45Å; T507-L511 PolarHBondContact O-N 3.43Å; T507-L511 VanDerWaalsContact O-N 3.09Å; R508-L511 PolarHBondContact O-N 3.23Å; Q509-L511 VanDerWaalsContact C-N 3.25Å; Q509-L511 PolarHBondContact O-N 2.98Å; L511-Y513 VanDerWaalsContact C-N 3.3Å; L511-Y513 PolarHBondContact O-N 3.29Å; L511-Y514 HydrophobicContact CD2-CD2 4.34Å; L511-Y514 PolarHBondContact O-N 3.29Å; L511-Y515 WeakPolarHBondContact O-CB 3.34Å; L511-Y515 PolarHBondContact O-N 3.34Å; L511-F533 HydrophobicContact CD1-CD2 4.43Å; L511-F533 HydrophobicContact CD1-CE2 4.05Å; L511-F533 HydrophobicContact CD2-CB 4.49Å; L511-F533 HydrophobicContact CD2-CD2 3.45Å; L511-F533 VanDerWaalsContact CD2-CD2 3.45Å; L511-F533 HydrophobicContact CD2-CE2 3.93Å; L511-F533 HydrophobicContact CD2-CG 4.27Å; L511-L536 HydrophobicContact CD1-CD2 4.22Å; L511-L536 HydrophobicContact CD2-CD2 3.68Å; L511-L536 HydrophobicContact CG-CD2 3.62Å; L511-L546 HydrophobicContact CD1-CD2 3.58Å; L511-L560 HydrophobicContact CD1-CD2 3.62Å; L511-L560 HydrophobicContact CD1-CG 4.44Å; L511-Y564 HydrophobicContact CB-CE2 4.12Å; L511-Y564 WeakPolarHBondContact CB-OH 3.5Å; L511-Y564 HydrophobicContact CD1-CE2 4.5Å
512	D	90.1	Very high	83.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-37.1	174.5	-69.3	-28.3	0	0	0	111.2	I196 S197 V200 R508 Q509 Y515 K563 Y564	I196-D512 HydrophobicContact CG2-CB 4.5Å; S197-D512 VanDerWaalsContact CB-OD2 3.28Å; S197-D512 WeakPolarHBondContact CB-OD2 3.37Å; S197-D512 PolarHBondContact OG-OD2 3.03Å; V200-D512 HydrophobicContact CB-CB 4.46Å; V200-D512 HydrophobicContact CG2-CB 4.19Å; R508-D512 PolarHBondContact O-N 3.26Å; Q509-D512 WeakPolarHBondContact O-CB 3.28Å; Q509-D512 PolarHBondContact O-N 3.06Å; D512-Y515 PolarHBondContact O-N 2.97Å; D512-K563 IonicContact OD1-NZ 3Å; D512-K563 PolarHBondContact OD1-NZ 3.13Å; D512-K563 IonicContact OD2-NZ 3.83Å; D512-Y564 PolarHBondContact N-OH 3.02Å; D512-Y564 WeakPolarHBondContact OD1-CE1 3.41Å; D512-Y564 PolarHBondContact OD1-OH 3.01Å
513	Y	90.3	Very high	82.7	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-67.3	-44.7	171.5	-77.1	-84.1	0	0	0	112.7	A193 I196 H456 I459 Y498 C499 F502 Q509 A510 L511 Y515 L516	A193-Y513 WeakPolarHBondContact CA-OH 3.32Å; A193-Y513 HydrophobicContact CB-CE2 4.18Å; I196-Y513 HydrophobicContact CG1-CE1 3.95Å; I196-Y513 HydrophobicContact CG2-CD1 4.41Å; I196-Y513 HydrophobicContact CG2-CE1 4.32Å; H456-Y513 AromaticContact NE2-CE1 3.79Å; H456-Y513 AromaticContact NE2-CZ 3.77Å; H456-Y513 PolarHBondContact NE2-OH 3.45Å; I459-Y513 HydrophobicContact CD1-CD1 3.94Å; I459-Y513 HydrophobicContact CD1-CE1 3.89Å; Y498-Y513 HydrophobicContact CD1-CD1 4.34Å; Y498-Y513 HydrophobicContact CD1-CE1 4.11Å; Y498-Y513 HydrophobicContact CE1-CD1 4.35Å; Y498-Y513 AromaticContact CE1-CE1 3.73Å; Y498-Y513 HydrophobicContact CE1-CE1 3.73Å; Y498-Y513 HydrophobicContact CE1-CE2 4.02Å; Y498-Y513 AromaticContact CE1-CZ 3.58Å; C499-Y513 WeakPolarHBondContact SG-CB 3.3Å; F502-Y513 HydrophobicContact CE2-CD2 4.31Å; F502-Y513 HydrophobicContact CE2-CE2 4.42Å; F502-Y513 AromaticContact CZ-CD2 3.9Å; F502-Y513 HydrophobicContact CZ-CD2 3.9Å; F502-Y513 AromaticContact CZ-CE2 3.92Å; F502-Y513 HydrophobicContact CZ-CE2 3.92Å; Q509-Y513 WeakPolarHBondContact O-CD2 3.17Å; Q509-Y513 PolarHBondContact O-N 3.42Å; Q509-Y513 VanDerWaalsContact O-N 3.13Å; A510-Y513 PolarHBondContact O-N 3.08Å; L511-Y513 VanDerWaalsContact C-N 3.3Å; L511-Y513 PolarHBondContact O-N 3.29Å; Y513-Y515 PolarHBondContact O-N 3.42Å; Y513-L516 HydrophobicContact CD1-CD1 4.46Å; Y513-L516 VanDerWaalsContact O-CB 3.28Å; Y513-L516 WeakPolarHBondContact O-CB 3.28Å; Y513-L516 PolarHBondContact O-N 2.58Å; Y513-L516 VanDerWaalsContact O-N 3.13Å
514	Y	88.2	Confident	81.9	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-31.8	176.7	-62.4	-27.6	0	0	0	112	I495 L496 C499 A510 L511 L516 L517 F529 M532 L536	I495-Y514 HydrophobicContact CG2-CD1 4.35Å; L496-Y514 HydrophobicContact CD2-CD1 3.82Å; L496-Y514 HydrophobicContact CD2-CE1 3.39Å; C499-Y514 HydrophobicContact CB-CE1 3.5Å; C499-Y514 WeakPolarHBondContact CB-OH 3.21Å; A510-Y514 HydrophobicContact CB-CE2 4.4Å; A510-Y514 WeakPolarHBondContact O-CD2 3.47Å; A510-Y514 VanDerWaalsContact O-CG 3.28Å; A510-Y514 PolarHBondContact O-N 2.95Å; L511-Y514 HydrophobicContact CD2-CD2 4.34Å; L511-Y514 PolarHBondContact O-N 3.29Å; Y514-L516 PolarHBondContact O-N 2.9Å; Y514-L517 WeakPolarHBondContact O-CA 3.49Å; Y514-L517 VanDerWaalsContact O-CB 3.29Å; Y514-L517 WeakPolarHBondContact O-CB 3.2Å; Y514-L517 PolarHBondContact O-N 3.43Å; Y514-F529 VanDerWaalsContact C-CD2 3.5Å; Y514-F529 WeakPolarHBondContact O-CD2 3.31Å; Y514-M532 HydrophobicContact CD2-CB 4Å; Y514-M532 HydrophobicContact CE1-CE 4.13Å; Y514-M532 HydrophobicContact CE2-CB 4.3Å; Y514-M532 HydrophobicContact CE2-CE 4.15Å; Y514-M532 HydrophobicContact CG-CB 4.16Å; Y514-L536 HydrophobicContact CE2-CD2 4.25Å
515	Y	87.9	Confident	81.4	Confident	15 Å²	15	49.6 Å²	49.6	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-25.3	176.1	-179.5	-103.9	0	0	0	112.8	V200 L204 L511 D512 Y513 L517 R518 F529 Y564 F566	V200-Y515 HydrophobicContact CB-CD1 4.36Å; V200-Y515 HydrophobicContact CG1-CD1 3.53Å; V200-Y515 HydrophobicContact CG1-CE1 3.94Å; V200-Y515 HydrophobicContact CG1-CG 4.27Å; V200-Y515 HydrophobicContact CG2-CD1 4.01Å; L204-Y515 HydrophobicContact CD2-CE1 4.13Å; L204-Y515 HydrophobicContact CD2-CE2 4.09Å; L204-Y515 VanDerWaalsContact CD2-OH 3.23Å; L204-Y515 WeakPolarHBondContact CD2-OH 3.45Å; L204-Y515 HydrophobicContact CG-CE1 4.22Å; L511-Y515 WeakPolarHBondContact O-CB 3.34Å; L511-Y515 PolarHBondContact O-N 3.34Å; D512-Y515 PolarHBondContact O-N 2.97Å; Y513-Y515 PolarHBondContact O-N 3.42Å; Y515-L517 PolarHBondContact O-N 2.69Å; Y515-R518 WeakPolarHBondContact O-CB 3.42Å; Y515-R518 VanDerWaalsContact O-CG 3.28Å; Y515-R518 WeakPolarHBondContact O-CG 3.29Å; Y515-R518 PolarHBondContact O-N 2.93Å; Y515-F529 HydrophobicContact CD2-CE2 4.34Å; Y515-F529 HydrophobicContact CD2-CZ 4.32Å; Y515-Y564 HydrophobicContact CD1-CD1 4.38Å; Y515-Y564 AromaticContact CD2-CD1 3.39Å; Y515-Y564 HydrophobicContact CD2-CD1 3.39Å; Y515-Y564 HydrophobicContact CD2-CE1 4.15Å; Y515-Y564 HydrophobicContact CD2-CG 4.11Å; Y515-Y564 AromaticContact CE2-CD1 3.94Å; Y515-Y564 HydrophobicContact CE2-CD1 3.94Å; Y515-Y564 AromaticContact CG-CD1 3.66Å; Y515-Y564 HydrophobicContact CG-CD1 3.66Å; Y515-Y564 AromaticContact CG-CE1 3.96Å; Y515-Y564 HydrophobicContact CG-CE1 3.96Å; Y515-F566 HydrophobicContact CD2-CD2 4.3Å; Y515-F566 AromaticContact CD2-CE2 3.75Å; Y515-F566 HydrophobicContact CD2-CE2 3.75Å; Y515-F566 HydrophobicContact CE2-CD2 4.02Å; Y515-F566 AromaticContact CE2-CE2 3.58Å; Y515-F566 HydrophobicContact CE2-CE2 3.58Å
516	L	86	Confident	80.9	Confident	12 Å²	12	46.1 Å²	46.1	6%	0.063	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-21.1	171.6	-55.8	176.7	0	0	0	112.6	I196 Y199 V200 I459 Y513 Y514 R518	I196-L516 HydrophobicContact CD1-CD1 4.48Å; I196-L516 HydrophobicContact CG2-CD1 4.12Å; Y199-L516 HydrophobicContact CD1-CD2 4.11Å; Y199-L516 HydrophobicContact CE1-CD2 3.59Å; V200-L516 HydrophobicContact CG2-CD2 4.07Å; I459-L516 HydrophobicContact CD1-CD1 3.73Å; I459-L516 HydrophobicContact CG1-CD1 3.97Å; I459-L516 HydrophobicContact CG2-CD1 3.77Å; Y513-L516 HydrophobicContact CD1-CD1 4.46Å; Y513-L516 VanDerWaalsContact O-CB 3.28Å; Y513-L516 WeakPolarHBondContact O-CB 3.28Å; Y513-L516 PolarHBondContact O-N 2.58Å; Y513-L516 VanDerWaalsContact O-N 3.13Å; Y514-L516 PolarHBondContact O-N 2.9Å; L516-R518 VanDerWaalsContact C-N 3.34Å
517	L	84.1	Confident	80.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	11.4	179.2	-57.8	175.6	0	0	0	113.4	L491 V492 I495 L496 Y514 Y515 D519 F520 V528	L491-L517 HydrophobicContact CG-CD2 4.34Å; V492-L517 HydrophobicContact CB-CD1 4.49Å; V492-L517 HydrophobicContact CG1-CD1 4.12Å; V492-L517 HydrophobicContact CG2-CD2 4.01Å; I495-L517 HydrophobicContact CB-CD1 4.16Å; I495-L517 HydrophobicContact CD1-CD2 3.73Å; I495-L517 HydrophobicContact CD1-CG 4.15Å; I495-L517 HydrophobicContact CG2-CD1 3.9Å; I495-L517 HydrophobicContact CG2-CG 4.37Å; L496-L517 HydrophobicContact CD2-CD1 4.35Å; Y514-L517 WeakPolarHBondContact O-CA 3.49Å; Y514-L517 VanDerWaalsContact O-CB 3.29Å; Y514-L517 WeakPolarHBondContact O-CB 3.2Å; Y514-L517 PolarHBondContact O-N 3.43Å; Y515-L517 PolarHBondContact O-N 2.69Å; L517-D519 PolarHBondContact O-N 3.23Å; L517-D519 VanDerWaalsContact O-N 3.12Å; L517-F520 HydrophobicContact CB-CD2 4.23Å; L517-F520 HydrophobicContact CD2-CD2 4.01Å; L517-F520 HydrophobicContact CD2-CE2 4.06Å; L517-F520 PolarHBondContact O-N 3.12Å; L517-F520 VanDerWaalsContact O-N 3.07Å; L517-V528 HydrophobicContact CB-CG1 4.21Å; L517-V528 HydrophobicContact CD1-CG1 4.2Å
518	R	82.5	Confident	80.6	Confident	63 Å²	63	44.7 Å²	44.7	24%	0.238	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.6	-176	58.7	173.3	-173.9	-105.2	5.4	115.5	Y515 L516 F520 F566	Y515-R518 WeakPolarHBondContact O-CB 3.42Å; Y515-R518 VanDerWaalsContact O-CG 3.28Å; Y515-R518 WeakPolarHBondContact O-CG 3.29Å; Y515-R518 PolarHBondContact O-N 2.93Å; L516-R518 VanDerWaalsContact C-N 3.34Å; R518-F520 VanDerWaalsContact C-N 3.31Å; R518-F566 HydrophobicContact CB-CE2 3.98Å; R518-F566 HydrophobicContact CB-CZ 3.53Å
519	D	78.5	Confident	80.6	Confident	107 Å²	107	38.1 Å²	38.1	57%	0.572	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.5	-175.9	-56.1	-44.8	0	0	0	112.3	L517	L517-D519 PolarHBondContact O-N 3.23Å; L517-D519 VanDerWaalsContact O-N 3.12Å
520	F	79.2	Confident	80.4	Confident	11 Å²	11	37.3 Å²	37.3	5%	0.048	19%	0.189	C	C	.	.			trans	-92.3	141.5	179.7	-65.6	-95.3	0	0	0	111.3	Y462 T469 L491 V492 L517 R518 V528	Y462-F520 HydrophobicContact CE1-CE2 4.46Å; Y462-F520 HydrophobicContact CE2-CE2 4.09Å; Y462-F520 AromaticContact CE2-CZ 3.83Å; Y462-F520 HydrophobicContact CE2-CZ 3.83Å; Y462-F520 AromaticContact CZ-CE2 3.77Å; Y462-F520 WeakPolarHBondContact OH-CE2 3.45Å; T469-F520 HydrophobicContact CG2-CE1 4.39Å; T469-F520 HydrophobicContact CG2-CZ 4.1Å; L491-F520 HydrophobicContact CB-CZ 4.47Å; L491-F520 HydrophobicContact CD2-CE2 4.3Å; L491-F520 HydrophobicContact CD2-CZ 4.14Å; V492-F520 HydrophobicContact CG2-CB 4.08Å; V492-F520 HydrophobicContact CG2-CD1 3.81Å; V492-F520 HydrophobicContact CG2-CD2 4.41Å; V492-F520 HydrophobicContact CG2-CE1 4.36Å; V492-F520 HydrophobicContact CG2-CG 3.84Å; L517-F520 HydrophobicContact CB-CD2 4.23Å; L517-F520 HydrophobicContact CD2-CD2 4.01Å; L517-F520 HydrophobicContact CD2-CE2 4.06Å; L517-F520 PolarHBondContact O-N 3.12Å; L517-F520 VanDerWaalsContact O-N 3.07Å; R518-F520 VanDerWaalsContact C-N 3.31Å; F520-V528 HydrophobicContact CB-CB 4.12Å; F520-V528 HydrophobicContact CB-CG2 3.74Å; F520-V528 WeakPolarHBondContact O-CG2 3.18Å; F520-V528 PolarHBondContact O-N 3.47Å
521	K	76.5	Confident	80.1	Confident	118 Å²	118	38.8 Å²	38.8	51%	0.513	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-123.6	145.3	177.2	-58.3	-167.4	176.1	-148.2	0	110.8	S526 D527	K521-S526 CarbonylContact C-O 3.55Å; K521-S526 WeakPolarHBondContact CA-O 3.4Å; K521-D527 WeakPolarHBondContact CE-OD1 3.4Å; K521-D527 IonicContact NZ-OD1 3.57Å; K521-D527 PolarHBondContact NZ-OD1 2.86Å
522	Y	67.2	Low	79.8	Confident	50 Å²	50	39.2 Å²	39.2	20%	0.196	20%	0.203	C	C	.	.			trans	-72.3	171.6	167.7	-73.4	-76.7	0	0	0	111.2	Y473 D524 G525 S526 V528 A531	Y473-Y522 HydrophobicContact CD1-CD1 4.42Å; Y473-Y522 AromaticContact CD1-CE1 3.67Å; Y473-Y522 HydrophobicContact CD1-CE1 3.67Å; Y473-Y522 HydrophobicContact CE1-CE1 4.43Å; Y473-Y522 HydrophobicContact CG-CD1 4.41Å; Y473-Y522 AromaticContact CG-CE1 3.7Å; Y473-Y522 HydrophobicContact CG-CE1 3.7Å; Y522-D524 WeakPolarHBondContact CB-OD1 3.39Å; Y522-D524 PolarHBondContact O-N 3.01Å; Y522-G525 WeakPolarHBondContact O-CA 3.42Å; Y522-G525 PolarHBondContact O-N 3.47Å; Y522-S526 WeakPolarHBondContact CD2-OG 3.48Å; Y522-S526 PolarHBondContact N-O 2.94Å; Y522-V528 HydrophobicContact CD2-CB 4.49Å; Y522-V528 HydrophobicContact CD2-CG2 3.86Å; Y522-V528 HydrophobicContact CE2-CB 4.08Å; Y522-V528 HydrophobicContact CE2-CG1 4.29Å; Y522-V528 HydrophobicContact CE2-CG2 3.77Å; Y522-V528 HydrophobicContact CG-CG2 4.3Å; Y522-A531 HydrophobicContact CD2-CB 4.28Å; Y522-A531 HydrophobicContact CE2-CB 3.63Å
523	F	62.2	Low	79.6	Confident	160 Å²	160	39.2 Å²	39.2	70%	0.702	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.6	177.4	-76.3	-69	0	0	0	114.3	N472 V474 G525	N472-F523 HydrophobicContact CB-CE1 4.41Å; N472-F523 HydrophobicContact CB-CE2 4.27Å; N472-F523 HydrophobicContact CB-CZ 3.87Å; N472-F523 WeakPolarHBondContact ND2-CZ 3.4Å; N472-F523 WeakPolarHBondContact OD1-CE2 3.3Å; N472-F523 VanDerWaalsContact OD1-CZ 3.24Å; N472-F523 WeakPolarHBondContact OD1-CZ 3.46Å; V474-F523 HydrophobicContact CG2-CE2 4.33Å; F523-G525 PolarHBondContact O-N 2.95Å
524	D	64.9	Low	79.3	Confident	127 Å²	127	39.2 Å²	39.2	68%	0.679	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-0	175.2	63.8	-3.2	0	0	0	112.6	Y522 S526	Y522-D524 WeakPolarHBondContact CB-OD1 3.39Å; Y522-D524 PolarHBondContact O-N 3.01Å; D524-S526 VanDerWaalsContact C-N 3.27Å; D524-S526 VanDerWaalsContact CG-OG 3.3Å; D524-S526 PolarHBondContact O-N 3.34Å; D524-S526 VanDerWaalsContact OD1-CB 3.25Å; D524-S526 WeakPolarHBondContact OD1-CB 3.44Å; D524-S526 PolarHBondContact OD1-N 3.36Å; D524-S526 PolarHBondContact OD1-OG 2.72Å; D524-S526 PolarHBondContact OD2-OG 2.92Å
525	G	69.9	Low	79.1	Confident	40 Å²	40	45.3 Å²	45.3	41%	0.412	23%	0.226	S	C	.	.	S	Bend	trans	81.5	-0	-177	0	0	0	0	0	114.2	Y522 F523	Y522-G525 WeakPolarHBondContact O-CA 3.42Å; Y522-G525 PolarHBondContact O-N 3.47Å; F523-G525 PolarHBondContact O-N 2.95Å
526	S	72.1	Confident	79	Confident	30 Å²	30	44.6 Å²	44.6	21%	0.21	22%	0.224	C	C	.	.			trans	-70.6	137.9	177.2	68.4	0	0	0	0	111.1	K521 Y522 D524 V528	K521-S526 CarbonylContact C-O 3.55Å; K521-S526 WeakPolarHBondContact CA-O 3.4Å; Y522-S526 WeakPolarHBondContact CD2-OG 3.48Å; Y522-S526 PolarHBondContact N-O 2.94Å; D524-S526 VanDerWaalsContact C-N 3.27Å; D524-S526 VanDerWaalsContact CG-OG 3.3Å; D524-S526 PolarHBondContact O-N 3.34Å; D524-S526 VanDerWaalsContact OD1-CB 3.25Å; D524-S526 WeakPolarHBondContact OD1-CB 3.44Å; D524-S526 PolarHBondContact OD1-N 3.36Å; D524-S526 PolarHBondContact OD1-OG 2.72Å; D524-S526 PolarHBondContact OD2-OG 2.92Å; S526-V528 PolarHBondContact O-N 3.43Å
527	D	81.5	Confident	79	Confident	40 Å²	40	44 Å²	44	21%	0.214	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-70.2	132.3	-180	-56.5	-43.2	0	0	0	110.1	K521 F529 S530 A531	K521-D527 WeakPolarHBondContact CE-OD1 3.4Å; K521-D527 IonicContact NZ-OD1 3.57Å; K521-D527 PolarHBondContact NZ-OD1 2.86Å; D527-F529 VanDerWaalsContact C-N 3.27Å; D527-F529 PolarHBondContact O-N 3.34Å; D527-S530 PolarHBondContact O-N 3.23Å; D527-S530 VanDerWaalsContact O-N 3.1Å; D527-A531 PolarHBondContact O-N 3.21Å; D527-A531 VanDerWaalsContact O-N 3.16Å
528	V	80.8	Confident	79	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-41.7	-175.1	172	0	0	0	0	111.2	V492 L517 F520 Y522 S526 S530 A531 M532	V492-V528 HydrophobicContact CG1-CG1 3.87Å; L517-V528 HydrophobicContact CB-CG1 4.21Å; L517-V528 HydrophobicContact CD1-CG1 4.2Å; F520-V528 HydrophobicContact CB-CB 4.12Å; F520-V528 HydrophobicContact CB-CG2 3.74Å; F520-V528 WeakPolarHBondContact O-CG2 3.18Å; F520-V528 PolarHBondContact O-N 3.47Å; Y522-V528 HydrophobicContact CD2-CB 4.49Å; Y522-V528 HydrophobicContact CD2-CG2 3.86Å; Y522-V528 HydrophobicContact CE2-CB 4.08Å; Y522-V528 HydrophobicContact CE2-CG1 4.29Å; Y522-V528 HydrophobicContact CE2-CG2 3.77Å; Y522-V528 HydrophobicContact CG-CG2 4.3Å; S526-V528 PolarHBondContact O-N 3.43Å; V528-S530 PolarHBondContact O-N 2.96Å; V528-A531 PolarHBondContact O-N 3.15Å; V528-M532 HydrophobicContact CG1-CG 4.22Å; V528-M532 WeakPolarHBondContact O-CB 3.27Å; V528-M532 VanDerWaalsContact O-CG 3.24Å; V528-M532 WeakPolarHBondContact O-CG 3.36Å; V528-M532 PolarHBondContact O-N 3.18Å
529	F	85.5	Confident	79	Confident	1 Å²	1	44.9 Å²	44.9	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-47.2	176.3	177.5	-108.1	0	0	0	112.1	Y514 Y515 D527 M532 F533 Y564 F566 L571	Y514-F529 VanDerWaalsContact C-CD2 3.5Å; Y514-F529 WeakPolarHBondContact O-CD2 3.31Å; Y515-F529 HydrophobicContact CD2-CE2 4.34Å; Y515-F529 HydrophobicContact CD2-CZ 4.32Å; D527-F529 VanDerWaalsContact C-N 3.27Å; D527-F529 PolarHBondContact O-N 3.34Å; F529-M532 PolarHBondContact O-N 3.31Å; F529-F533 HydrophobicContact CZ-CD2 4.17Å; F529-F533 VanDerWaalsContact O-CB 3.27Å; F529-F533 WeakPolarHBondContact O-CB 3.25Å; F529-F533 PolarHBondContact O-N 3.06Å; F529-Y564 HydrophobicContact CZ-CD1 4.37Å; F529-Y564 HydrophobicContact CZ-CD2 4.05Å; F529-Y564 AromaticContact CZ-CG 3.95Å; F529-Y564 HydrophobicContact CZ-CG 3.95Å; F529-F566 HydrophobicContact CB-CZ 4.3Å; F529-F566 HydrophobicContact CD1-CD1 4.41Å; F529-F566 AromaticContact CD1-CD2 3.74Å; F529-F566 HydrophobicContact CD1-CD2 3.74Å; F529-F566 HydrophobicContact CD1-CE1 4.15Å; F529-F566 AromaticContact CD1-CE2 3.42Å; F529-F566 HydrophobicContact CD1-CE2 3.42Å; F529-F566 VanDerWaalsContact CD1-CE2 3.42Å; F529-F566 HydrophobicContact CD1-CG 4.2Å; F529-F566 AromaticContact CD1-CZ 3.61Å; F529-F566 HydrophobicContact CD1-CZ 3.61Å; F529-F566 AromaticContact CE1-CD2 3.55Å; F529-F566 HydrophobicContact CE1-CD2 3.55Å; F529-F566 AromaticContact CE1-CE2 3.63Å; F529-F566 HydrophobicContact CE1-CE2 3.63Å; F529-F566 HydrophobicContact CE1-CG 4.12Å; F529-F566 HydrophobicContact CE1-CZ 4.28Å; F529-F566 HydrophobicContact CG-CE2 4.11Å; F529-F566 HydrophobicContact CG-CZ 4.17Å; F529-F566 HydrophobicContact CZ-CD2 4.46Å; F529-F566 HydrophobicContact CZ-CE2 4.46Å; F529-L571 HydrophobicContact CE1-CD1 4.45Å
530	S	83.4	Confident	79.2	Confident	6 Å²	6	41 Å²	41	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-46.5	-178.7	-60.3	0	0	0	0	111.9	D527 V528 M532 F533 T534 L571	D527-S530 PolarHBondContact O-N 3.23Å; D527-S530 VanDerWaalsContact O-N 3.1Å; V528-S530 PolarHBondContact O-N 2.96Å; S530-M532 VanDerWaalsContact C-N 3.34Å; S530-M532 PolarHBondContact O-N 2.82Å; S530-F533 PolarHBondContact O-N 3.02Å; S530-T534 PolarHBondContact O-N 3.36Å; S530-T534 PolarHBondContact O-OG1 3.46Å; S530-L571 WeakPolarHBondContact OG-CD2 3.21Å
531	A	82	Confident	79.4	Confident	30 Å²	30	47.4 Å²	47.4	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-39.7	179.6	0	0	0	0	0	111.9	Y522 D527 V528 T534 R535	Y522-A531 HydrophobicContact CD2-CB 4.28Å; Y522-A531 HydrophobicContact CE2-CB 3.63Å; D527-A531 PolarHBondContact O-N 3.21Å; D527-A531 VanDerWaalsContact O-N 3.16Å; V528-A531 PolarHBondContact O-N 3.15Å; A531-T534 PolarHBondContact O-N 3.43Å; A531-R535 WeakPolarHBondContact O-CB 3.31Å; A531-R535 PolarHBondContact O-N 3.48Å
532	M	83.3	Confident	79.8	Confident	9 Å²	9	46 Å²	46	4%	0.044	23%	0.231	C	C	.	.	H	α-helix	trans	-69.5	-37.3	177.8	-68.5	-54.1	-51.7	0	0	112.3	L496 Y514 V528 F529 S530 L536	L496-M532 HydrophobicContact CD1-CE 4.15Å; L496-M532 HydrophobicContact CD1-SD 3.74Å; L496-M532 HydrophobicContact CD2-CE 3.55Å; L496-M532 HydrophobicContact CD2-CG 3.95Å; L496-M532 HydrophobicContact CD2-SD 3.81Å; L496-M532 HydrophobicContact CG-CE 4.47Å; L496-M532 HydrophobicContact CG-SD 4.47Å; Y514-M532 HydrophobicContact CD2-CB 4Å; Y514-M532 HydrophobicContact CE1-CE 4.13Å; Y514-M532 HydrophobicContact CE2-CB 4.3Å; Y514-M532 HydrophobicContact CE2-CE 4.15Å; Y514-M532 HydrophobicContact CG-CB 4.16Å; V528-M532 HydrophobicContact CG1-CG 4.22Å; V528-M532 WeakPolarHBondContact O-CB 3.27Å; V528-M532 VanDerWaalsContact O-CG 3.24Å; V528-M532 WeakPolarHBondContact O-CG 3.36Å; V528-M532 PolarHBondContact O-N 3.18Å; F529-M532 PolarHBondContact O-N 3.31Å; S530-M532 VanDerWaalsContact C-N 3.34Å; S530-M532 PolarHBondContact O-N 2.82Å; M532-L536 VanDerWaalsContact O-CB 3.25Å; M532-L536 WeakPolarHBondContact O-CB 3.26Å; M532-L536 PolarHBondContact O-N 2.98Å
533	F	86.4	Confident	80.6	Confident	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-59.7	-50.2	171.9	-172.8	-73.9	0	0	0	110.3	L511 F529 S530 R535 L536 A537 L546 L547 A561	L511-F533 HydrophobicContact CD1-CD2 4.43Å; L511-F533 HydrophobicContact CD1-CE2 4.05Å; L511-F533 HydrophobicContact CD2-CB 4.49Å; L511-F533 HydrophobicContact CD2-CD2 3.45Å; L511-F533 VanDerWaalsContact CD2-CD2 3.45Å; L511-F533 HydrophobicContact CD2-CE2 3.93Å; L511-F533 HydrophobicContact CD2-CG 4.27Å; F529-F533 HydrophobicContact CZ-CD2 4.17Å; F529-F533 VanDerWaalsContact O-CB 3.27Å; F529-F533 WeakPolarHBondContact O-CB 3.25Å; F529-F533 PolarHBondContact O-N 3.06Å; S530-F533 PolarHBondContact O-N 3.02Å; F533-R535 PolarHBondContact O-N 3.17Å; F533-L536 PolarHBondContact O-N 3.36Å; F533-A537 HydrophobicContact CE1-CB 4.44Å; F533-A537 WeakPolarHBondContact O-CB 3.49Å; F533-A537 PolarHBondContact O-N 3.09Å; F533-L546 HydrophobicContact CZ-CB 4.19Å; F533-L547 HydrophobicContact CE1-CD2 3.44Å; F533-L547 VanDerWaalsContact CE1-CD2 3.44Å; F533-L547 HydrophobicContact CE1-CG 4.27Å; F533-L547 HydrophobicContact CZ-CD2 3.87Å; F533-A561 HydrophobicContact CE2-CB 4.09Å; F533-A561 HydrophobicContact CZ-CB 3.76Å
534	T	83.9	Confident	81.4	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-47.7	179.6	-59.1	0	0	0	0	111.5	S530 A531 L536 A537 L538 V575 E578	S530-T534 PolarHBondContact O-N 3.36Å; S530-T534 PolarHBondContact O-OG1 3.46Å; A531-T534 PolarHBondContact O-N 3.43Å; T534-L536 VanDerWaalsContact C-N 3.34Å; T534-L536 PolarHBondContact O-N 2.86Å; T534-A537 PolarHBondContact O-N 3.14Å; T534-L538 HydrophobicContact CG2-CD1 4.1Å; T534-L538 WeakPolarHBondContact O-CG 3.34Å; T534-L538 PolarHBondContact O-N 3.49Å; T534-L538 VanDerWaalsContact O-N 3.08Å; T534-V575 HydrophobicContact CG2-CB 4.42Å; T534-V575 HydrophobicContact CG2-CG2 3.85Å; T534-E578 HydrophobicContact CG2-CB 4.34Å; T534-E578 HydrophobicContact CG2-CG 4.11Å; T534-E578 WeakPolarHBondContact CG2-OE1 3.49Å; T534-E578 WeakPolarHBondContact CG2-OE2 3.32Å
535	R	83.7	Confident	82.3	Confident	128 Å²	128	37.9 Å²	37.9	48%	0.483	21%	0.21	S	C	.	.	H	α-helix	trans	-59.3	-44.9	176.6	-177.5	173.4	-179.8	157.5	1.4	112.1	A531 F533 L538 E539	A531-R535 WeakPolarHBondContact O-CB 3.31Å; A531-R535 PolarHBondContact O-N 3.48Å; F533-R535 PolarHBondContact O-N 3.17Å; R535-L538 PolarHBondContact O-N 3.42Å; R535-E539 HydrophobicContact CG-CG 4.47Å; R535-E539 WeakPolarHBondContact CG-OE1 3.46Å; R535-E539 IonicContact CZ-OE1 2.82Å; R535-E539 IonicContact NE-OE1 3.22Å; R535-E539 PolarHBondContact NE-OE1 2.82Å; R535-E539 IonicContact NH2-OE1 3.28Å; R535-E539 WeakPolarHBondContact O-CB 3.43Å; R535-E539 VanDerWaalsContact O-CG 3.29Å; R535-E539 WeakPolarHBondContact O-CG 3.31Å; R535-E539 PolarHBondContact O-N 3.26Å; R535-E539 VanDerWaalsContact O-N 3.08Å
536	L	85.5	Confident	82.9	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.7	-45.5	179.3	-173.1	66.3	0	0	0	111.3	R503 T507 L511 Y514 M532 F533 T534 L538 E539 T540	R503-L536 HydrophobicContact CB-CD1 3.84Å; R503-L536 HydrophobicContact CG-CD1 4.36Å; T507-L536 HydrophobicContact CG2-CD1 4.33Å; T507-L536 HydrophobicContact CG2-CD2 3.56Å; T507-L536 HydrophobicContact CG2-CG 3.88Å; L511-L536 HydrophobicContact CD1-CD2 4.22Å; L511-L536 HydrophobicContact CD2-CD2 3.68Å; L511-L536 HydrophobicContact CG-CD2 3.62Å; Y514-L536 HydrophobicContact CE2-CD2 4.25Å; M532-L536 VanDerWaalsContact O-CB 3.25Å; M532-L536 WeakPolarHBondContact O-CB 3.26Å; M532-L536 PolarHBondContact O-N 2.98Å; F533-L536 PolarHBondContact O-N 3.36Å; T534-L536 VanDerWaalsContact C-N 3.34Å; T534-L536 PolarHBondContact O-N 2.86Å; L536-L538 VanDerWaalsContact C-N 3.32Å; L536-L538 PolarHBondContact O-N 3.23Å; L536-E539 PolarHBondContact O-N 2.65Å; L536-T540 HydrophobicContact CD1-CG2 3.98Å; L536-T540 HydrophobicContact CG-CG2 4.3Å; L536-T540 WeakPolarHBondContact O-CG2 3.27Å; L536-T540 PolarHBondContact O-N 2.93Å; L536-T540 PolarHBondContact O-OG1 3.21Å; L536-T540 VanDerWaalsContact O-OG1 3.14Å
537	A	85.3	Confident	83.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.2	-41.7	178.8	0	0	0	0	0	112.4	F533 T534 K541 Y543 L546 V575	F533-A537 HydrophobicContact CE1-CB 4.44Å; F533-A537 WeakPolarHBondContact O-CB 3.49Å; F533-A537 PolarHBondContact O-N 3.09Å; T534-A537 PolarHBondContact O-N 3.14Å; A537-K541 WeakPolarHBondContact O-CA 3.37Å; A537-K541 PolarHBondContact O-N 3.05Å; A537-Y543 HydrophobicContact CB-CD1 4.48Å; A537-Y543 HydrophobicContact CB-CE1 4.49Å; A537-Y543 VanDerWaalsContact O-CE1 3.24Å; A537-Y543 WeakPolarHBondContact O-CE1 3.45Å; A537-L546 HydrophobicContact CB-CD1 3.96Å; A537-V575 HydrophobicContact CB-CG1 4.3Å; A537-V575 HydrophobicContact CB-CG2 4.35Å
538	L	83.6	Confident	83.6	Confident	12 Å²	12	33.2 Å²	33.2	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-70.8	-30.2	178.5	-66.8	171.3	0	0	0	113.5	T534 R535 L536 Y543 V575 E578	T534-L538 HydrophobicContact CG2-CD1 4.1Å; T534-L538 WeakPolarHBondContact O-CG 3.34Å; T534-L538 PolarHBondContact O-N 3.49Å; T534-L538 VanDerWaalsContact O-N 3.08Å; R535-L538 PolarHBondContact O-N 3.42Å; L536-L538 VanDerWaalsContact C-N 3.32Å; L536-L538 PolarHBondContact O-N 3.23Å; L538-Y543 HydrophobicContact CD2-CE1 4.34Å; L538-V575 HydrophobicContact CD2-CG1 4.22Å; L538-E578 HydrophobicContact CD1-CB 3.64Å; L538-E578 HydrophobicContact CD1-CG 4.41Å; L538-E578 WeakPolarHBondContact CD1-OE2 3.28Å
539	E	83	Confident	83.7	Confident	68 Å²	68	39 Å²	39	32%	0.318	20%	0.201	S	C	.	.	H	α-helix	trans	-81.3	-43.1	179.6	-73.7	172.7	173.4	0	0	112.6	R503 R535 L536	R503-E539 IonicContact CZ-OE1 2.88Å; R503-E539 IonicContact CZ-OE2 2.73Å; R503-E539 IonicContact NE-OE2 3.14Å; R503-E539 IonicContact NH1-OE1 3.31Å; R503-E539 PolarHBondContact NH1-OE1 3.07Å; R503-E539 IonicContact NH1-OE2 3.87Å; R503-E539 PolarHBondContact NH1-OE2 2.98Å; R503-E539 IonicContact NH2-OE1 2.65Å; R503-E539 PolarHBondContact NH2-OE1 3.07Å; R503-E539 IonicContact NH2-OE2 3.4Å; R503-E539 PolarHBondContact NH2-OE2 3.27Å; R535-E539 HydrophobicContact CG-CG 4.47Å; R535-E539 WeakPolarHBondContact CG-OE1 3.46Å; R535-E539 IonicContact CZ-OE1 2.82Å; R535-E539 IonicContact NE-OE1 3.22Å; R535-E539 PolarHBondContact NE-OE1 2.82Å; R535-E539 IonicContact NH2-OE1 3.28Å; R535-E539 WeakPolarHBondContact O-CB 3.43Å; R535-E539 VanDerWaalsContact O-CG 3.29Å; R535-E539 WeakPolarHBondContact O-CG 3.31Å; R535-E539 PolarHBondContact O-N 3.26Å; R535-E539 VanDerWaalsContact O-N 3.08Å; L536-E539 PolarHBondContact O-N 2.65Å
540	T	84.1	Confident	83.4	Confident	26 Å²	26	40.1 Å²	40.1	16%	0.16	21%	0.209	C	C	.	.	H	α-helix	trans	-77.3	-26.5	179.4	64.3	0	0	0	0	112.4	T507 L536 E542	T507-T540 HydrophobicContact CG2-CG2 4.09Å; L536-T540 HydrophobicContact CD1-CG2 3.98Å; L536-T540 HydrophobicContact CG-CG2 4.3Å; L536-T540 WeakPolarHBondContact O-CG2 3.27Å; L536-T540 PolarHBondContact O-N 2.93Å; L536-T540 PolarHBondContact O-OG1 3.21Å; L536-T540 VanDerWaalsContact O-OG1 3.14Å; T540-E542 PolarHBondContact O-N 2.87Å; T540-E542 PolarHBondContact OG1-N 3.35Å
541	K	82.9	Confident	83.1	Confident	146 Å²	146	44.7 Å²	44.7	64%	0.635	23%	0.228	S	C	*	.			trans	59	17.8	-173	-53.2	-176.2	178.9	-171.4	0	113.8	A537 Y543	A537-K541 WeakPolarHBondContact O-CA 3.37Å; A537-K541 PolarHBondContact O-N 3.05Å; K541-Y543 HydrophobicContact CB-CE2 3.88Å; K541-Y543 HydrophobicContact CG-CE2 4.41Å; K541-Y543 VanDerWaalsContact O-CD2 3.32Å; K541-Y543 WeakPolarHBondContact O-CD2 3.31Å; K541-Y543 PolarHBondContact O-N 3.18Å; K541-Y543 VanDerWaalsContact O-N 3.11Å
542	E	83.6	Confident	82.3	Confident	89 Å²	89	48.7 Å²	48.7	42%	0.416	25%	0.251	S	S	.	.			trans	-86.8	49	179.3	-64.5	-175.5	153.1	0	0	111.8	T507 T540 S544 A545 L546	T507-E542 PolarHBondContact OG1-OE2 3.08Å; T540-E542 PolarHBondContact O-N 2.87Å; T540-E542 PolarHBondContact OG1-N 3.35Å; E542-S544 VanDerWaalsContact C-N 3.31Å; E542-S544 PolarHBondContact O-N 3.35Å; E542-A545 HydrophobicContact CB-CB 4.43Å; E542-A545 PolarHBondContact O-N 2.98Å; E542-L546 HydrophobicContact CB-CG 4.46Å; E542-L546 WeakPolarHBondContact O-CB 3.45Å; E542-L546 WeakPolarHBondContact O-CG 3.13Å; E542-L546 PolarHBondContact O-N 3.34Å
543	Y	83.9	Confident	81.6	Confident	34 Å²	34	53.5 Å²	53.5	13%	0.133	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-40	-171.3	-53	-70.9	0	0	0	113.1	A537 L538 K541 A545 L546 L547 G548 V575 L587	A537-Y543 HydrophobicContact CB-CD1 4.48Å; A537-Y543 HydrophobicContact CB-CE1 4.49Å; A537-Y543 VanDerWaalsContact O-CE1 3.24Å; A537-Y543 WeakPolarHBondContact O-CE1 3.45Å; L538-Y543 HydrophobicContact CD2-CE1 4.34Å; K541-Y543 HydrophobicContact CB-CE2 3.88Å; K541-Y543 HydrophobicContact CG-CE2 4.41Å; K541-Y543 VanDerWaalsContact O-CD2 3.32Å; K541-Y543 WeakPolarHBondContact O-CD2 3.31Å; K541-Y543 PolarHBondContact O-N 3.18Å; K541-Y543 VanDerWaalsContact O-N 3.11Å; Y543-A545 VanDerWaalsContact C-N 3.35Å; Y543-A545 PolarHBondContact O-N 2.99Å; Y543-L546 PolarHBondContact O-N 2.92Å; Y543-L547 WeakPolarHBondContact O-CB 3.25Å; Y543-L547 PolarHBondContact O-N 3.16Å; Y543-G548 PolarHBondContact O-N 2.86Å; Y543-V575 HydrophobicContact CD1-CG1 4.35Å; Y543-V575 HydrophobicContact CE1-CG1 4.21Å; Y543-L587 HydrophobicContact CD1-CD1 4.37Å; Y543-L587 HydrophobicContact CD1-CD2 4.4Å; Y543-L587 HydrophobicContact CD2-CD1 3.5Å; Y543-L587 VanDerWaalsContact CD2-CD1 3.5Å; Y543-L587 HydrophobicContact CD2-CD2 3.99Å; Y543-L587 HydrophobicContact CD2-CG 4.4Å; Y543-L587 HydrophobicContact CE1-CD2 3.84Å; Y543-L587 HydrophobicContact CE2-CD1 3.76Å; Y543-L587 HydrophobicContact CE2-CD2 3.34Å; Y543-L587 HydrophobicContact CE2-CG 4.2Å; Y543-L587 HydrophobicContact CG-CD1 3.82Å; Y543-L587 HydrophobicContact CG-CD2 4.47Å; Y543-L587 WeakPolarHBondContact OH-CD2 3.33Å
544	S	80.2	Confident	80.7	Confident	73 Å²	73	54.9 Å²	54.9	51%	0.51	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-36.3	-179.9	55.5	0	0	0	0	113.2	E542 G548	E542-S544 VanDerWaalsContact C-N 3.31Å; E542-S544 PolarHBondContact O-N 3.35Å; S544-G548 CarbonylContact O-C 3.58Å; S544-G548 WeakPolarHBondContact O-CA 3.48Å; S544-G548 PolarHBondContact O-N 3.39Å
545	A	83.5	Confident	80.3	Confident	58 Å²	58	58 Å²	58	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-78.3	-37	178.2	0	0	0	0	0	111.7	E542 Y543 G559 L560	E542-A545 HydrophobicContact CB-CB 4.43Å; E542-A545 PolarHBondContact O-N 2.98Å; Y543-A545 VanDerWaalsContact C-N 3.35Å; Y543-A545 PolarHBondContact O-N 2.99Å; A545-G559 WeakPolarHBondContact O-CA 3.29Å; A545-L560 PolarHBondContact O-N 2.77Å
546	L	83.2	Confident	80.2	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-82.4	-49.8	-175.5	-70.4	-179.1	0	0	0	113.3	T507 L511 F533 A537 E542 Y543 G559 L560 A561	T507-L546 HydrophobicContact CG2-CD1 4.11Å; T507-L546 HydrophobicContact CG2-CD2 3.79Å; T507-L546 HydrophobicContact CG2-CG 4.41Å; L511-L546 HydrophobicContact CD1-CD2 3.58Å; F533-L546 HydrophobicContact CZ-CB 4.19Å; A537-L546 HydrophobicContact CB-CD1 3.96Å; E542-L546 HydrophobicContact CB-CG 4.46Å; E542-L546 WeakPolarHBondContact O-CB 3.45Å; E542-L546 WeakPolarHBondContact O-CG 3.13Å; E542-L546 PolarHBondContact O-N 3.34Å; Y543-L546 PolarHBondContact O-N 2.92Å; L546-G559 CarbonylContact O-C 3.56Å; L546-L560 HydrophobicContact CD2-CB 4.47Å; L546-L560 HydrophobicContact CD2-CD2 4.32Å; L546-L560 PolarHBondContact O-N 2.95Å; L546-L560 VanDerWaalsContact O-N 3.08Å; L546-A561 VanDerWaalsContact O-CB 3.29Å; L546-A561 WeakPolarHBondContact O-CB 3.37Å; L546-A561 PolarHBondContact O-N 3.46Å
547	L	84.1	Confident	79.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-30.2	-175.1	-64.2	173.9	0	0	0	111.7	F533 Y543 G559 A561 I572 V575 L591 L594	F533-L547 HydrophobicContact CE1-CD2 3.44Å; F533-L547 VanDerWaalsContact CE1-CD2 3.44Å; F533-L547 HydrophobicContact CE1-CG 4.27Å; F533-L547 HydrophobicContact CZ-CD2 3.87Å; Y543-L547 WeakPolarHBondContact O-CB 3.25Å; Y543-L547 PolarHBondContact O-N 3.16Å; L547-G559 PolarHBondContact O-N 3.2Å; L547-A561 HydrophobicContact CD2-CB 4.3Å; L547-I572 HydrophobicContact CB-CG1 4.33Å; L547-I572 HydrophobicContact CD2-CG1 3.81Å; L547-I572 HydrophobicContact CG-CG1 4.46Å; L547-V575 HydrophobicContact CD1-CB 4.12Å; L547-V575 HydrophobicContact CD1-CG1 4.03Å; L547-V575 HydrophobicContact CD1-CG2 4.2Å; L547-L591 HydrophobicContact CD1-CD2 3.48Å; L547-L591 VanDerWaalsContact CD1-CD2 3.48Å; L547-L594 HydrophobicContact CB-CD2 3.67Å
548	G	83.3	Confident	79.7	Confident	8 Å²	8	61.4 Å²	61.4	8%	0.082	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112	-178.5	-176	0	0	0	0	0	111.9	Y543 S544 A557	Y543-G548 PolarHBondContact O-N 2.86Å; S544-G548 CarbonylContact O-C 3.58Å; S544-G548 WeakPolarHBondContact O-CA 3.48Å; S544-G548 PolarHBondContact O-N 3.39Å; G548-A557 CarbonylContact C-O 3.55Å; G548-A557 WeakPolarHBondContact CA-O 3.38Å
549	Q	83.3	Confident	79.7	Confident	122 Å²	122	61.4 Å²	61.4	57%	0.57	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141	136.7	-178.8	-172.8	177.8	11	0	0	110.6	K551 A557	Q549-K551 PolarHBondContact O-N 2.94Å; Q549-A557 PolarHBondContact N-O 2.71Å; Q549-A557 WeakPolarHBondContact O-CB 3.47Å; Q549-A557 PolarHBondContact O-N 2.98Å
550	V	79.3	Confident	79.6	Confident	26 Å²	26	59.6 Å²	59.6	16%	0.158	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	119.4	169.5	-161.5	0	0	0	0	109	V556 L594	V550-V556 HydrophobicContact CG1-CG2 4.48Å; V550-V556 HydrophobicContact CG2-CG2 4.35Å; V550-L594 HydrophobicContact CG2-CB 4.12Å; V550-L594 HydrophobicContact CG2-CD1 3.76Å
551	K	76.1	Confident	79.5	Confident	101 Å²	101	58.5 Å²	58.5	44%	0.439	34%	0.34	S	S	.	.			trans	-71	160.2	175	-70	-172.8	-164.6	165.7	0	110.4	Q549 D553 G554 T555	Q549-K551 PolarHBondContact O-N 2.94Å; K551-D553 WeakPolarHBondContact CB-OD1 3.32Å; K551-D553 PolarHBondContact O-N 3.21Å; K551-D553 VanDerWaalsContact O-N 3.08Å; K551-G554 PolarHBondContact O-N 3.46Å; K551-T555 WeakPolarHBondContact CB-O 3.34Å; K551-T555 WeakPolarHBondContact CD-OG1 3.49Å; K551-T555 PolarHBondContact N-O 3.25Å
552	P	66.9	Low	79.3	Confident	115 Å²	115	53.9 Å²	53.9	75%	0.747	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-22.5	179	-24.7	34.4	0	0	0	114.6	G554	P552-G554 VanDerWaalsContact C-N 3.27Å
553	D	67.4	Low	79.2	Confident	109 Å²	109	52.1 Å²	52.1	58%	0.583	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4.6	175.8	63	1.7	0	0	0	113.6	K551 T555	K551-D553 WeakPolarHBondContact CB-OD1 3.32Å; K551-D553 PolarHBondContact O-N 3.21Å; K551-D553 VanDerWaalsContact O-N 3.08Å; D553-T555 VanDerWaalsContact CG-OG1 3.28Å; D553-T555 WeakPolarHBondContact OD1-CB 3.17Å; D553-T555 PolarHBondContact OD1-N 3.3Å; D553-T555 PolarHBondContact OD1-OG1 3.15Å; D553-T555 PolarHBondContact OD2-OG1 3.23Å
554	G	67.7	Low	79	Confident	31 Å²	31	50.7 Å²	50.7	32%	0.32	31%	0.314	S	S	.	.	S	Bend	trans	86.1	0.6	-176	0	0	0	0	0	114.4	K551 P552	K551-G554 PolarHBondContact O-N 3.46Å; P552-G554 VanDerWaalsContact C-N 3.27Å
555	T	76.6	Confident	78.4	Confident	65 Å²	65	54.4 Å²	54.4	40%	0.399	33%	0.328	S	S	.	.			trans	-78	138.2	173.1	65.1	0	0	0	0	110.6	K551 D553	K551-T555 WeakPolarHBondContact CB-O 3.34Å; K551-T555 WeakPolarHBondContact CD-OG1 3.49Å; K551-T555 PolarHBondContact N-O 3.25Å; D553-T555 VanDerWaalsContact CG-OG1 3.28Å; D553-T555 WeakPolarHBondContact OD1-CB 3.17Å; D553-T555 PolarHBondContact OD1-N 3.3Å; D553-T555 PolarHBondContact OD1-OG1 3.15Å; D553-T555 PolarHBondContact OD2-OG1 3.23Å
556	V	79.8	Confident	77.8	Confident	73 Å²	73	54.3 Å²	54.3	44%	0.442	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.4	177.1	179.6	0	0	0	0	108.8	V550 P558 L594	V550-V556 HydrophobicContact CG1-CG2 4.48Å; V550-V556 HydrophobicContact CG2-CG2 4.35Å; V556-P558 WeakPolarHBondContact O-CD 3.43Å; V556-L594 HydrophobicContact CG1-CD1 3.47Å; V556-L594 VanDerWaalsContact CG1-CD1 3.47Å; V556-L594 HydrophobicContact CG2-CD1 4.44Å
557	A	80.9	Confident	77.4	Confident	32 Å²	32	58 Å²	58	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.8	164.6	0	0	0	0	0	107.7	G548 Q549	G548-A557 CarbonylContact C-O 3.55Å; G548-A557 WeakPolarHBondContact CA-O 3.38Å; Q549-A557 PolarHBondContact N-O 2.71Å; Q549-A557 WeakPolarHBondContact O-CB 3.47Å; Q549-A557 PolarHBondContact O-N 2.98Å
558	P	80.5	Confident	77.1	Confident	96 Å²	96	60.8 Å²	60.8	62%	0.623	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	140.7	-176.3	27.1	-34	0	0	0	110.8	V556 A562	V556-P558 WeakPolarHBondContact O-CD 3.43Å; P558-A562 HydrophobicContact CB-CB 3.71Å
559	G	83	Confident	77	Confident	12 Å²	12	66.1 Å²	66.1	12%	0.124	37%	0.371	C	S	.	.			trans	-86	-173.3	170.8	0	0	0	0	0	112.6	A545 L546 L547 A561 A562	A545-G559 WeakPolarHBondContact O-CA 3.29Å; L546-G559 CarbonylContact O-C 3.56Å; L547-G559 PolarHBondContact O-N 3.2Å; G559-A561 PolarHBondContact O-N 3Å; G559-A562 WeakPolarHBondContact O-CB 3.49Å; G559-A562 PolarHBondContact O-N 3.36Å
560	L	82	Confident	77	Confident	31 Å²	31	64.7 Å²	64.7	16%	0.162	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-63.3	-25.4	174.2	-167.4	65.3	0	0	0	112.8	R508 L511 A545 L546 A562 K563 Y564	R508-L560 HydrophobicContact CB-CD2 3.86Å; R508-L560 HydrophobicContact CG-CD1 4.28Å; R508-L560 HydrophobicContact CG-CD2 3.88Å; L511-L560 HydrophobicContact CD1-CD2 3.62Å; L511-L560 HydrophobicContact CD1-CG 4.44Å; A545-L560 PolarHBondContact O-N 2.77Å; L546-L560 HydrophobicContact CD2-CB 4.47Å; L546-L560 HydrophobicContact CD2-CD2 4.32Å; L546-L560 PolarHBondContact O-N 2.95Å; L546-L560 VanDerWaalsContact O-N 3.08Å; L560-A562 PolarHBondContact O-N 3.28Å; L560-K563 HydrophobicContact CD1-CB 4.48Å; L560-K563 HydrophobicContact CD1-CD 4.05Å; L560-K563 WeakPolarHBondContact O-CB 3.36Å; L560-K563 PolarHBondContact O-N 3.43Å; L560-K563 VanDerWaalsContact O-N 3.08Å; L560-Y564 HydrophobicContact CG-CE2 4.21Å; L560-Y564 WeakPolarHBondContact O-CD2 3.26Å
561	A	80.6	Confident	77.1	Confident	3 Å²	3	63.6 Å²	63.6	3%	0.025	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-55.5	-39.6	174.8	0	0	0	0	0	112.2	F533 L546 L547 G559 K563 Y564 E568	F533-A561 HydrophobicContact CE2-CB 4.09Å; F533-A561 HydrophobicContact CZ-CB 3.76Å; L546-A561 VanDerWaalsContact O-CB 3.29Å; L546-A561 WeakPolarHBondContact O-CB 3.37Å; L546-A561 PolarHBondContact O-N 3.46Å; L547-A561 HydrophobicContact CD2-CB 4.3Å; G559-A561 PolarHBondContact O-N 3Å; A561-K563 PolarHBondContact O-N 3.44Å; A561-K563 VanDerWaalsContact O-N 3.12Å; A561-Y564 PolarHBondContact O-N 2.87Å; A561-E568 HydrophobicContact CB-CG 4.49Å
562	A	78.8	Confident	77.5	Confident	48 Å²	48	59 Å²	59	40%	0.397	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-63.6	-17.9	179.6	0	0	0	0	0	113.6	P558 G559 L560 Y564	P558-A562 HydrophobicContact CB-CB 3.71Å; G559-A562 WeakPolarHBondContact O-CB 3.49Å; G559-A562 PolarHBondContact O-N 3.36Å; L560-A562 PolarHBondContact O-N 3.28Å; A562-Y564 VanDerWaalsContact C-N 3.33Å
563	K	81.9	Confident	78.4	Confident	52 Å²	52	55.8 Å²	55.8	23%	0.226	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-66.3	-37.3	173.4	-174.2	-165.1	167.9	-170.4	0	111.3	D201 L204 D512 L560 A561	D201-K563 WeakPolarHBondContact OD1-CE 3.39Å; D201-K563 IonicContact OD1-NZ 3.4Å; D201-K563 PolarHBondContact OD1-NZ 2.81Å; L204-K563 HydrophobicContact CD1-CD 4.44Å; L204-K563 HydrophobicContact CD1-CG 4.04Å; L204-K563 WeakPolarHBondContact CD1-O 3.32Å; D512-K563 IonicContact OD1-NZ 3Å; D512-K563 PolarHBondContact OD1-NZ 3.13Å; D512-K563 IonicContact OD2-NZ 3.83Å; L560-K563 HydrophobicContact CD1-CB 4.48Å; L560-K563 HydrophobicContact CD1-CD 4.05Å; L560-K563 WeakPolarHBondContact O-CB 3.36Å; L560-K563 PolarHBondContact O-N 3.43Å; L560-K563 VanDerWaalsContact O-N 3.08Å; A561-K563 PolarHBondContact O-N 3.44Å; A561-K563 VanDerWaalsContact O-N 3.12Å
564	Y	79.4	Confident	79.2	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.016	30%	0.298	C	S	.	.	S	Bend	trans	-89	128.8	-175.6	-54.3	-75.9	0	0	0	108.5	V200 L204 L511 D512 Y515 F529 L560 A561 A562 F566	V200-Y564 HydrophobicContact CG1-CE1 4.12Å; L204-Y564 HydrophobicContact CD1-CD1 4.13Å; L204-Y564 HydrophobicContact CD1-CE1 4.47Å; L511-Y564 HydrophobicContact CB-CE2 4.12Å; L511-Y564 WeakPolarHBondContact CB-OH 3.5Å; L511-Y564 HydrophobicContact CD1-CE2 4.5Å; D512-Y564 PolarHBondContact N-OH 3.02Å; D512-Y564 WeakPolarHBondContact OD1-CE1 3.41Å; D512-Y564 PolarHBondContact OD1-OH 3.01Å; Y515-Y564 HydrophobicContact CD1-CD1 4.38Å; Y515-Y564 AromaticContact CD2-CD1 3.39Å; Y515-Y564 HydrophobicContact CD2-CD1 3.39Å; Y515-Y564 HydrophobicContact CD2-CE1 4.15Å; Y515-Y564 HydrophobicContact CD2-CG 4.11Å; Y515-Y564 AromaticContact CE2-CD1 3.94Å; Y515-Y564 HydrophobicContact CE2-CD1 3.94Å; Y515-Y564 AromaticContact CG-CD1 3.66Å; Y515-Y564 HydrophobicContact CG-CD1 3.66Å; Y515-Y564 AromaticContact CG-CE1 3.96Å; Y515-Y564 HydrophobicContact CG-CE1 3.96Å; F529-Y564 HydrophobicContact CZ-CD1 4.37Å; F529-Y564 HydrophobicContact CZ-CD2 4.05Å; F529-Y564 AromaticContact CZ-CG 3.95Å; F529-Y564 HydrophobicContact CZ-CG 3.95Å; L560-Y564 HydrophobicContact CG-CE2 4.21Å; L560-Y564 WeakPolarHBondContact O-CD2 3.26Å; A561-Y564 PolarHBondContact O-N 2.87Å; A562-Y564 VanDerWaalsContact C-N 3.33Å; Y564-F566 PolarHBondContact O-N 3.4Å
565	N	67.5	Low	80	Confident	151 Å²	151	52.2 Å²	52.2	81%	0.807	28%	0.283	S	S	*	.	S	Bend	trans	-73.1	51.8	-175.4	-165.3	28.3	0	0	0	112.9	L204	L204-N565 HydrophobicContact CD2-CB 4.36Å
566	F	71.8	Confident	80.5	Confident	57 Å²	57	49.1 Å²	49.1	25%	0.25	26%	0.264	C	S	.	.	S	Bend	trans	-111.6	165.5	-179.6	-87.6	-82.1	0	0	0	110.3	Y515 R518 F529 Y564 E568 L571	Y515-F566 HydrophobicContact CD2-CD2 4.3Å; Y515-F566 AromaticContact CD2-CE2 3.75Å; Y515-F566 HydrophobicContact CD2-CE2 3.75Å; Y515-F566 HydrophobicContact CE2-CD2 4.02Å; Y515-F566 AromaticContact CE2-CE2 3.58Å; Y515-F566 HydrophobicContact CE2-CE2 3.58Å; R518-F566 HydrophobicContact CB-CE2 3.98Å; R518-F566 HydrophobicContact CB-CZ 3.53Å; F529-F566 HydrophobicContact CB-CZ 4.3Å; F529-F566 HydrophobicContact CD1-CD1 4.41Å; F529-F566 AromaticContact CD1-CD2 3.74Å; F529-F566 HydrophobicContact CD1-CD2 3.74Å; F529-F566 HydrophobicContact CD1-CE1 4.15Å; F529-F566 AromaticContact CD1-CE2 3.42Å; F529-F566 HydrophobicContact CD1-CE2 3.42Å; F529-F566 VanDerWaalsContact CD1-CE2 3.42Å; F529-F566 HydrophobicContact CD1-CG 4.2Å; F529-F566 AromaticContact CD1-CZ 3.61Å; F529-F566 HydrophobicContact CD1-CZ 3.61Å; F529-F566 AromaticContact CE1-CD2 3.55Å; F529-F566 HydrophobicContact CE1-CD2 3.55Å; F529-F566 AromaticContact CE1-CE2 3.63Å; F529-F566 HydrophobicContact CE1-CE2 3.63Å; F529-F566 HydrophobicContact CE1-CG 4.12Å; F529-F566 HydrophobicContact CE1-CZ 4.28Å; F529-F566 HydrophobicContact CG-CE2 4.11Å; F529-F566 HydrophobicContact CG-CZ 4.17Å; F529-F566 HydrophobicContact CZ-CD2 4.46Å; F529-F566 HydrophobicContact CZ-CE2 4.46Å; Y564-F566 PolarHBondContact O-N 3.4Å; F566-E568 VanDerWaalsContact C-N 3.31Å; F566-E568 PolarHBondContact O-N 3.42Å; F566-L571 HydrophobicContact CB-CD1 4.23Å
567	N	74.4	Confident	80.9	Confident	82 Å²	82	49.8 Å²	49.8	44%	0.439	26%	0.262	S	S	.	.			trans	-70.6	88.6	176.2	-161	-7.5	0	0	0	110.3	K569 E570 L571	N567-K569 PolarHBondContact O-N 3.26Å; N567-K569 VanDerWaalsContact O-N 3.15Å; N567-E570 HydrophobicContact CB-CB 4.19Å; N567-E570 HydrophobicContact CB-CG 4.11Å; N567-E570 WeakPolarHBondContact ND2-CG 3.47Å; N567-E570 PolarHBondContact ND2-OE1 2.89Å; N567-E570 PolarHBondContact O-N 3.04Å; N567-L571 PolarHBondContact O-N 3.3Å
568	E	78.5	Confident	81	Confident	59 Å²	59	51.7 Å²	51.7	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-49.8	-40.1	-178.4	-174.7	-178.3	-174	0	0	111.6	A561 F566 E570 L571 I572	A561-E568 HydrophobicContact CB-CG 4.49Å; F566-E568 VanDerWaalsContact C-N 3.31Å; F566-E568 PolarHBondContact O-N 3.42Å; E568-E570 PolarHBondContact O-N 3.44Å; E568-L571 PolarHBondContact O-N 2.88Å; E568-I572 HydrophobicContact CG-CD1 3.78Å; E568-I572 HydrophobicContact CG-CG1 4.46Å; E568-I572 WeakPolarHBondContact O-CD1 3.47Å; E568-I572 VanDerWaalsContact O-CG1 3.22Å; E568-I572 WeakPolarHBondContact O-CG1 3.19Å; E568-I572 PolarHBondContact O-N 3.13Å
569	K	80.9	Confident	81.2	Confident	119 Å²	119	47.1 Å²	47.1	52%	0.517	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-44.5	179.3	-66.3	-172.7	176.2	-170.7	0	112.9	N567 L571 I572 Q573	N567-K569 PolarHBondContact O-N 3.26Å; N567-K569 VanDerWaalsContact O-N 3.15Å; K569-L571 VanDerWaalsContact C-N 3.33Å; K569-I572 PolarHBondContact O-N 3.13Å; K569-Q573 WeakPolarHBondContact O-CB 3.22Å; K569-Q573 WeakPolarHBondContact O-CG 3.41Å; K569-Q573 PolarHBondContact O-N 2.94Å
570	E	82.8	Confident	81.2	Confident	92 Å²	92	50 Å²	50	43%	0.43	25%	0.248	S	C	.	.	H	α-helix	trans	-66.5	-37.7	179.2	-73.9	176.2	-160.6	0	0	111.6	N567 E568 Q573 K574	N567-E570 HydrophobicContact CB-CB 4.19Å; N567-E570 HydrophobicContact CB-CG 4.11Å; N567-E570 WeakPolarHBondContact ND2-CG 3.47Å; N567-E570 PolarHBondContact ND2-OE1 2.89Å; N567-E570 PolarHBondContact O-N 3.04Å; E568-E570 PolarHBondContact O-N 3.44Å; E570-Q573 PolarHBondContact O-N 3.27Å; E570-K574 WeakPolarHBondContact O-CG 2.97Å; E570-K574 PolarHBondContact O-N 3.48Å
571	L	82	Confident	81.3	Confident	4 Å²	4	54.4 Å²	54.4	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-47.4	174.9	-70.2	175.1	0	0	0	110.9	F529 S530 F566 N567 E568 K569 Q573 K574 V575	F529-L571 HydrophobicContact CE1-CD1 4.45Å; S530-L571 WeakPolarHBondContact OG-CD2 3.21Å; F566-L571 HydrophobicContact CB-CD1 4.23Å; N567-L571 PolarHBondContact O-N 3.3Å; E568-L571 PolarHBondContact O-N 2.88Å; K569-L571 VanDerWaalsContact C-N 3.33Å; L571-Q573 VanDerWaalsContact C-N 3.32Å; L571-Q573 PolarHBondContact O-N 3.36Å; L571-K574 PolarHBondContact O-N 3.11Å; L571-V575 VanDerWaalsContact O-CG2 3.27Å; L571-V575 WeakPolarHBondContact O-CG2 3.4Å; L571-V575 PolarHBondContact O-N 3.44Å; L571-V575 VanDerWaalsContact O-N 3.09Å
572	I	84.2	Confident	81.3	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-43.8	177.5	-63.8	161	0	0	0	110.5	L547 E568 K569 V575 A576 L591 L594 A595	L547-I572 HydrophobicContact CB-CG1 4.33Å; L547-I572 HydrophobicContact CD2-CG1 3.81Å; L547-I572 HydrophobicContact CG-CG1 4.46Å; E568-I572 HydrophobicContact CG-CD1 3.78Å; E568-I572 HydrophobicContact CG-CG1 4.46Å; E568-I572 WeakPolarHBondContact O-CD1 3.47Å; E568-I572 VanDerWaalsContact O-CG1 3.22Å; E568-I572 WeakPolarHBondContact O-CG1 3.19Å; E568-I572 PolarHBondContact O-N 3.13Å; K569-I572 PolarHBondContact O-N 3.13Å; I572-V575 PolarHBondContact O-N 2.79Å; I572-A576 WeakPolarHBondContact O-CB 3.46Å; I572-A576 PolarHBondContact O-N 3.02Å; I572-L591 HydrophobicContact CG2-CB 4.11Å; I572-L591 WeakPolarHBondContact CG2-O 3.37Å; I572-L594 HydrophobicContact CD1-CD2 3.91Å; I572-L594 HydrophobicContact CD1-CG 3.91Å; I572-L594 HydrophobicContact CG1-CD2 4.2Å; I572-L594 HydrophobicContact CG2-CB 4.33Å; I572-L594 HydrophobicContact CG2-CD2 4.31Å; I572-A595 HydrophobicContact CB-CB 4.16Å; I572-A595 HydrophobicContact CG2-CB 3.78Å
573	Q	85.7	Confident	81.3	Confident	47 Å²	47	60.8 Å²	60.8	22%	0.22	30%	0.299	C	S	.	.	H	α-helix	trans	-60.1	-46.8	177.7	-76	170.8	2	0	0	111.9	K569 E570 L571 V575 A576 E577 A595 E597	K569-Q573 WeakPolarHBondContact O-CB 3.22Å; K569-Q573 WeakPolarHBondContact O-CG 3.41Å; K569-Q573 PolarHBondContact O-N 2.94Å; E570-Q573 PolarHBondContact O-N 3.27Å; L571-Q573 VanDerWaalsContact C-N 3.32Å; L571-Q573 PolarHBondContact O-N 3.36Å; Q573-V575 VanDerWaalsContact C-N 3.33Å; Q573-V575 PolarHBondContact O-N 3.28Å; Q573-A576 WeakPolarHBondContact O-CA 3.31Å; Q573-A576 WeakPolarHBondContact O-CB 3.28Å; Q573-A576 PolarHBondContact O-N 3.23Å; Q573-A576 VanDerWaalsContact O-N 3.1Å; Q573-E577 WeakPolarHBondContact O-CG 3.34Å; Q573-E577 PolarHBondContact O-N 2.93Å; Q573-A595 HydrophobicContact CG-CB 4.19Å; Q573-E597 HydrophobicContact CG-CG 4.22Å; Q573-E597 VanDerWaalsContact NE2-CG 3.25Å; Q573-E597 PolarHBondContact NE2-OE1 3.48Å
574	K	83.8	Confident	81.2	Confident	65 Å²	65	62.3 Å²	62.3	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-60.4	-41.2	177.2	-74.7	175.7	-179.2	174.9	0	112.3	E570 L571 A576 E577 E578	E570-K574 WeakPolarHBondContact O-CG 2.97Å; E570-K574 PolarHBondContact O-N 3.48Å; L571-K574 PolarHBondContact O-N 3.11Å; K574-A576 VanDerWaalsContact C-N 3.33Å; K574-E577 PolarHBondContact O-N 3.38Å; K574-E578 PolarHBondContact O-N 2.65Å
575	V	85.7	Confident	81.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-37	175.5	-175.9	0	0	0	0	111.1	T534 A537 L538 Y543 L547 L571 I572 Q573 S579 L591	T534-V575 HydrophobicContact CG2-CB 4.42Å; T534-V575 HydrophobicContact CG2-CG2 3.85Å; A537-V575 HydrophobicContact CB-CG1 4.3Å; A537-V575 HydrophobicContact CB-CG2 4.35Å; L538-V575 HydrophobicContact CD2-CG1 4.22Å; Y543-V575 HydrophobicContact CD1-CG1 4.35Å; Y543-V575 HydrophobicContact CE1-CG1 4.21Å; L547-V575 HydrophobicContact CD1-CB 4.12Å; L547-V575 HydrophobicContact CD1-CG1 4.03Å; L547-V575 HydrophobicContact CD1-CG2 4.2Å; L571-V575 VanDerWaalsContact O-CG2 3.27Å; L571-V575 WeakPolarHBondContact O-CG2 3.4Å; L571-V575 PolarHBondContact O-N 3.44Å; L571-V575 VanDerWaalsContact O-N 3.09Å; I572-V575 PolarHBondContact O-N 2.79Å; Q573-V575 VanDerWaalsContact C-N 3.33Å; Q573-V575 PolarHBondContact O-N 3.28Å; V575-S579 WeakPolarHBondContact O-CB 3.32Å; V575-S579 PolarHBondContact O-N 3.07Å; V575-S579 PolarHBondContact O-OG 3.35Å; V575-S579 VanDerWaalsContact O-OG 3.08Å; V575-L591 HydrophobicContact CB-CD1 4.21Å; V575-L591 HydrophobicContact CG1-CD1 3.69Å
576	A	86.4	Confident	81.8	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-44.4	175.5	0	0	0	0	0	111.6	I572 Q573 K574 S579 L580 L591 Y592	I572-A576 WeakPolarHBondContact O-CB 3.46Å; I572-A576 PolarHBondContact O-N 3.02Å; Q573-A576 WeakPolarHBondContact O-CA 3.31Å; Q573-A576 WeakPolarHBondContact O-CB 3.28Å; Q573-A576 PolarHBondContact O-N 3.23Å; Q573-A576 VanDerWaalsContact O-N 3.1Å; K574-A576 VanDerWaalsContact C-N 3.33Å; A576-S579 WeakPolarHBondContact CA-OG 3.44Å; A576-S579 PolarHBondContact O-N 2.77Å; A576-S579 PolarHBondContact O-OG 3.23Å; A576-L580 WeakPolarHBondContact O-CB 3.38Å; A576-L580 PolarHBondContact O-N 3.11Å; A576-L591 HydrophobicContact CB-CB 3.69Å; A576-L591 HydrophobicContact CB-CD1 4.33Å; A576-Y592 HydrophobicContact CB-CD1 3.83Å; A576-Y592 HydrophobicContact CB-CD2 4.08Å; A576-Y592 HydrophobicContact CB-CE1 3.57Å; A576-Y592 HydrophobicContact CB-CE2 3.83Å; A576-Y592 HydrophobicContact CB-CG 4.06Å
577	E	87.1	Confident	82.3	Confident	88 Å²	88	58.3 Å²	58.3	41%	0.411	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.6	-72.6	172.3	-172.9	0	0	112	Q573 K574 L580 K581 Y592	Q573-E577 WeakPolarHBondContact O-CG 3.34Å; Q573-E577 PolarHBondContact O-N 2.93Å; K574-E577 PolarHBondContact O-N 3.38Å; E577-L580 PolarHBondContact O-N 2.96Å; E577-K581 WeakPolarHBondContact O-CG 3.4Å; E577-K581 PolarHBondContact O-N 3.09Å; E577-Y592 WeakPolarHBondContact CG-OH 3.32Å
578	E	84	Confident	82.8	Confident	71 Å²	71	54.4 Å²	54.4	33%	0.332	27%	0.268	S	S	.	.	H	α-helix	trans	-67.8	-34.1	177.4	-75.1	-169	-155.1	0	0	112.8	T534 L538 K574 K581 K582	T534-E578 HydrophobicContact CG2-CB 4.34Å; T534-E578 HydrophobicContact CG2-CG 4.11Å; T534-E578 WeakPolarHBondContact CG2-OE1 3.49Å; T534-E578 WeakPolarHBondContact CG2-OE2 3.32Å; L538-E578 HydrophobicContact CD1-CB 3.64Å; L538-E578 HydrophobicContact CD1-CG 4.41Å; L538-E578 WeakPolarHBondContact CD1-OE2 3.28Å; K574-E578 PolarHBondContact O-N 2.65Å; E578-K581 PolarHBondContact O-N 2.93Å; E578-K582 WeakPolarHBondContact O-CG 3.15Å; E578-K582 PolarHBondContact O-N 3.35Å; E578-K582 VanDerWaalsContact O-N 3.09Å
579	S	84.1	Confident	83	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.2	-36.4	174.6	63.5	0	0	0	0	112	V575 A576 K582 G583 D584	V575-S579 WeakPolarHBondContact O-CB 3.32Å; V575-S579 PolarHBondContact O-N 3.07Å; V575-S579 PolarHBondContact O-OG 3.35Å; V575-S579 VanDerWaalsContact O-OG 3.08Å; A576-S579 WeakPolarHBondContact CA-OG 3.44Å; A576-S579 PolarHBondContact O-N 2.77Å; A576-S579 PolarHBondContact O-OG 3.23Å; S579-K582 PolarHBondContact O-N 3.46Å; S579-G583 PolarHBondContact O-N 3.27Å; S579-D584 PolarHBondContact O-N 2.84Å
580	L	84.2	Confident	83.1	Confident	73 Å²	73	50.2 Å²	50.2	38%	0.382	25%	0.25	S	S	.	.	H	α-helix	trans	-64	-43.1	172.5	-170.2	138.2	0	0	0	111.8	A576 E577 K582 G583 A588 T604	A576-L580 WeakPolarHBondContact O-CB 3.38Å; A576-L580 PolarHBondContact O-N 3.11Å; E577-L580 PolarHBondContact O-N 2.96Å; L580-K582 VanDerWaalsContact C-N 3.26Å; L580-K582 PolarHBondContact O-N 3.16Å; L580-G583 PolarHBondContact O-N 3.42Å; L580-A588 HydrophobicContact CB-CB 4.06Å; L580-A588 HydrophobicContact CD1-CB 4.31Å; L580-T604 HydrophobicContact CD1-CG2 3.42Å; L580-T604 VanDerWaalsContact CD1-CG2 3.42Å
581	K	83.7	Confident	83.3	Confident	123 Å²	123	46.1 Å²	46.1	54%	0.535	23%	0.231	S	C	.	.	H	α-helix	trans	-61.4	-32.4	174	-70.1	173.4	-161.8	-176	0	112.9	E91 E577 E578 G583	E91-K581 WeakPolarHBondContact OE1-CD 3.43Å; E91-K581 WeakPolarHBondContact OE1-CE 3.22Å; E91-K581 IonicContact OE1-NZ 2.59Å; E91-K581 PolarHBondContact OE1-NZ 2.94Å; E577-K581 WeakPolarHBondContact O-CG 3.4Å; E577-K581 PolarHBondContact O-N 3.09Å; E578-K581 PolarHBondContact O-N 2.93Å; K581-G583 VanDerWaalsContact C-N 3.29Å
582	K	81.3	Confident	83.4	Confident	133 Å²	133	46.6 Å²	46.6	58%	0.578	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.8	174.9	-73.6	179.2	178.6	177	0	113.8	E578 S579 L580	E578-K582 WeakPolarHBondContact O-CG 3.15Å; E578-K582 PolarHBondContact O-N 3.35Å; E578-K582 VanDerWaalsContact O-N 3.09Å; S579-K582 PolarHBondContact O-N 3.46Å; L580-K582 VanDerWaalsContact C-N 3.26Å; L580-K582 PolarHBondContact O-N 3.16Å
583	G	78.3	Confident	83.4	Confident	52 Å²	52	47 Å²	47	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	8.5	178.6	0	0	0	0	0	115.3	S579 L580 K581 E585	S579-G583 PolarHBondContact O-N 3.27Å; L580-G583 PolarHBondContact O-N 3.42Å; K581-G583 VanDerWaalsContact C-N 3.29Å; G583-E585 VanDerWaalsContact C-N 3.32Å; G583-E585 PolarHBondContact O-N 3.4Å; G583-E585 VanDerWaalsContact O-N 3.14Å
584	D	79.2	Confident	83.3	Confident	84 Å²	84	45.5 Å²	45.5	45%	0.449	23%	0.228	S	C	.	.			trans	-88.5	66.4	178.1	-75.3	-30.7	0	0	0	111	S579 L586 L587 A588	S579-D584 PolarHBondContact O-N 2.84Å; D584-L586 VanDerWaalsContact C-N 3.28Å; D584-L586 PolarHBondContact O-N 2.94Å; D584-L587 HydrophobicContact CB-CB 4.17Å; D584-L587 PolarHBondContact O-N 2.66Å; D584-A588 PolarHBondContact O-N 3.36Å; D584-A588 VanDerWaalsContact O-N 3.09Å
585	E	78.9	Confident	83.3	Confident	63 Å²	63	42.5 Å²	42.5	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-55.8	-38.6	-175.2	-63.7	173.8	169.8	0	0	113.1	G583 L587 A588 V589 A608	G583-E585 VanDerWaalsContact C-N 3.32Å; G583-E585 PolarHBondContact O-N 3.4Å; G583-E585 VanDerWaalsContact O-N 3.14Å; E585-L587 PolarHBondContact O-N 3.39Å; E585-A588 WeakPolarHBondContact O-CB 3.45Å; E585-A588 PolarHBondContact O-N 3.22Å; E585-V589 WeakPolarHBondContact O-CG2 3.14Å; E585-V589 PolarHBondContact O-N 3.37Å; E585-A608 HydrophobicContact CB-CB 4.14Å; E585-A608 VanDerWaalsContact OE2-CA 3.26Å; E585-A608 WeakPolarHBondContact OE2-CA 3.49Å
586	L	79.6	Confident	83	Confident	44 Å²	44	43.7 Å²	43.7	23%	0.23	23%	0.228	C	C	.	.	H	α-helix	trans	-66.8	-38.5	-178	-160.3	153.3	0	0	0	112	D584 Q590 E627 I628 L631	D584-L586 VanDerWaalsContact C-N 3.28Å; D584-L586 PolarHBondContact O-N 2.94Å; L586-Q590 WeakPolarHBondContact O-CG 3.19Å; L586-Q590 PolarHBondContact O-N 2.89Å; L586-E627 HydrophobicContact CD1-CB 3.88Å; L586-I628 HydrophobicContact CD1-CG1 3.68Å; L586-I628 HydrophobicContact CG-CG1 4.42Å; L586-L631 HydrophobicContact CD2-CD2 4Å; L586-L631 HydrophobicContact CG-CD2 4.08Å
587	L	83.2	Confident	82.8	Confident	22 Å²	22	47.1 Å²	47.1	12%	0.115	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-43.3	174.8	176.1	66.2	0	0	0	110.5	Y543 D584 E585 V589 Q590 L591	Y543-L587 HydrophobicContact CD1-CD1 4.37Å; Y543-L587 HydrophobicContact CD1-CD2 4.4Å; Y543-L587 HydrophobicContact CD2-CD1 3.5Å; Y543-L587 VanDerWaalsContact CD2-CD1 3.5Å; Y543-L587 HydrophobicContact CD2-CD2 3.99Å; Y543-L587 HydrophobicContact CD2-CG 4.4Å; Y543-L587 HydrophobicContact CE1-CD2 3.84Å; Y543-L587 HydrophobicContact CE2-CD1 3.76Å; Y543-L587 HydrophobicContact CE2-CD2 3.34Å; Y543-L587 HydrophobicContact CE2-CG 4.2Å; Y543-L587 HydrophobicContact CG-CD1 3.82Å; Y543-L587 HydrophobicContact CG-CD2 4.47Å; Y543-L587 WeakPolarHBondContact OH-CD2 3.33Å; D584-L587 HydrophobicContact CB-CB 4.17Å; D584-L587 PolarHBondContact O-N 2.66Å; E585-L587 PolarHBondContact O-N 3.39Å; L587-V589 VanDerWaalsContact C-N 3.27Å; L587-V589 PolarHBondContact O-N 3.37Å; L587-Q590 WeakPolarHBondContact O-CB 3.26Å; L587-Q590 PolarHBondContact O-N 2.86Å; L587-L591 HydrophobicContact CD1-CD1 4.17Å; L587-L591 HydrophobicContact CD1-CG 4.11Å; L587-L591 HydrophobicContact CD2-CD1 4.45Å; L587-L591 HydrophobicContact CG-CD1 3.92Å; L587-L591 HydrophobicContact CG-CG 4.25Å; L587-L591 WeakPolarHBondContact O-CG 3.45Å; L587-L591 PolarHBondContact O-N 3.35Å
588	A	84.8	Confident	82.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-43.5	176.3	0	0	0	0	0	111.3	L580 D584 E585 Q590 L591 Y592	L580-A588 HydrophobicContact CB-CB 4.06Å; L580-A588 HydrophobicContact CD1-CB 4.31Å; D584-A588 PolarHBondContact O-N 3.36Å; D584-A588 VanDerWaalsContact O-N 3.09Å; E585-A588 WeakPolarHBondContact O-CB 3.45Å; E585-A588 PolarHBondContact O-N 3.22Å; A588-Q590 PolarHBondContact O-N 2.92Å; A588-L591 PolarHBondContact O-N 3.1Å; A588-Y592 HydrophobicContact CB-CD2 4.36Å; A588-Y592 HydrophobicContact CB-CE2 4.18Å; A588-Y592 WeakPolarHBondContact O-CB 3.47Å; A588-Y592 WeakPolarHBondContact O-CD2 3.25Å; A588-Y592 PolarHBondContact O-N 3.11Å
589	V	83.2	Confident	81.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-58.5	-45.9	174.6	173.2	0	0	0	0	111.6	E585 L587 L591 D593 V601 T604 L605 L631 I635	E585-V589 WeakPolarHBondContact O-CG2 3.14Å; E585-V589 PolarHBondContact O-N 3.37Å; L587-V589 VanDerWaalsContact C-N 3.27Å; L587-V589 PolarHBondContact O-N 3.37Å; V589-L591 VanDerWaalsContact C-N 3.33Å; V589-L591 PolarHBondContact O-N 3.09Å; V589-D593 WeakPolarHBondContact O-CB 3.45Å; V589-D593 PolarHBondContact O-N 3.05Å; V589-V601 HydrophobicContact CG1-CG1 4.17Å; V589-T604 WeakPolarHBondContact CG2-OG1 3.29Å; V589-L605 HydrophobicContact CG1-CB 4.42Å; V589-L605 HydrophobicContact CG1-CD1 4.24Å; V589-L605 HydrophobicContact CG2-CB 4.13Å; V589-L605 HydrophobicContact CG2-CD1 4.42Å; V589-L631 HydrophobicContact CB-CD2 4.08Å; V589-L631 HydrophobicContact CG1-CD2 3.63Å; V589-L631 HydrophobicContact CG1-CG 4.25Å; V589-I635 HydrophobicContact CG1-CD1 3.58Å
590	Q	83.6	Confident	81.7	Confident	89 Å²	89	52.8 Å²	52.8	42%	0.416	27%	0.268	S	S	.	.	H	α-helix	trans	-63.6	-38.8	178.4	-70.2	177.2	-2.2	0	0	112.4	L586 L587 A588 L594 L631	L586-Q590 WeakPolarHBondContact O-CG 3.19Å; L586-Q590 PolarHBondContact O-N 2.89Å; L587-Q590 WeakPolarHBondContact O-CB 3.26Å; L587-Q590 PolarHBondContact O-N 2.86Å; A588-Q590 PolarHBondContact O-N 2.92Å; Q590-L594 WeakPolarHBondContact O-CB 3.5Å; Q590-L594 PolarHBondContact O-N 3.47Å; Q590-L631 HydrophobicContact CG-CD1 3.98Å; Q590-L631 HydrophobicContact CG-CD2 4.03Å
591	L	85.5	Confident	81.5	Confident	6 Å²	6	49.3 Å²	49.3	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-73.4	-41.2	179.3	-65.9	178.1	0	0	0	111.9	L547 I572 V575 A576 L587 A588 V589 D593 L594 A595	L547-L591 HydrophobicContact CD1-CD2 3.48Å; L547-L591 VanDerWaalsContact CD1-CD2 3.48Å; I572-L591 HydrophobicContact CG2-CB 4.11Å; I572-L591 WeakPolarHBondContact CG2-O 3.37Å; V575-L591 HydrophobicContact CB-CD1 4.21Å; V575-L591 HydrophobicContact CG1-CD1 3.69Å; A576-L591 HydrophobicContact CB-CB 3.69Å; A576-L591 HydrophobicContact CB-CD1 4.33Å; L587-L591 HydrophobicContact CD1-CD1 4.17Å; L587-L591 HydrophobicContact CD1-CG 4.11Å; L587-L591 HydrophobicContact CD2-CD1 4.45Å; L587-L591 HydrophobicContact CG-CD1 3.92Å; L587-L591 HydrophobicContact CG-CG 4.25Å; L587-L591 WeakPolarHBondContact O-CG 3.45Å; L587-L591 PolarHBondContact O-N 3.35Å; A588-L591 PolarHBondContact O-N 3.1Å; V589-L591 VanDerWaalsContact C-N 3.33Å; V589-L591 PolarHBondContact O-N 3.09Å; L591-D593 VanDerWaalsContact C-N 3.28Å; L591-D593 PolarHBondContact O-N 3.37Å; L591-L594 WeakPolarHBondContact O-CB 3.33Å; L591-L594 PolarHBondContact O-N 2.77Å; L591-A595 PolarHBondContact O-N 3.03Å
592	Y	85.6	Confident	81	Confident	14 Å²	14	43.5 Å²	43.5	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-34.2	173.1	-72.5	-55.5	0	0	0	112.1	A576 E577 A588 L594 A595 G596 E597 Q600 V601 T604	A576-Y592 HydrophobicContact CB-CD1 3.83Å; A576-Y592 HydrophobicContact CB-CD2 4.08Å; A576-Y592 HydrophobicContact CB-CE1 3.57Å; A576-Y592 HydrophobicContact CB-CE2 3.83Å; A576-Y592 HydrophobicContact CB-CG 4.06Å; E577-Y592 WeakPolarHBondContact CG-OH 3.32Å; A588-Y592 HydrophobicContact CB-CD2 4.36Å; A588-Y592 HydrophobicContact CB-CE2 4.18Å; A588-Y592 WeakPolarHBondContact O-CB 3.47Å; A588-Y592 WeakPolarHBondContact O-CD2 3.25Å; A588-Y592 PolarHBondContact O-N 3.11Å; Y592-L594 VanDerWaalsContact C-N 3.35Å; Y592-A595 PolarHBondContact O-N 2.78Å; Y592-G596 PolarHBondContact O-N 3.49Å; Y592-G596 VanDerWaalsContact O-N 3.1Å; Y592-E597 HydrophobicContact CD1-CB 4.23Å; Y592-E597 PolarHBondContact O-N 3.21Å; Y592-Q600 HydrophobicContact CD1-CB 3.87Å; Y592-Q600 HydrophobicContact CD1-CG 4.48Å; Y592-Q600 HydrophobicContact CD2-CB 4.13Å; Y592-Q600 HydrophobicContact CE1-CB 4.1Å; Y592-Q600 HydrophobicContact CE1-CG 4.38Å; Y592-Q600 HydrophobicContact CE2-CB 4.36Å; Y592-Q600 HydrophobicContact CG-CB 3.9Å; Y592-V601 VanDerWaalsContact CB-CG2 3.47Å; Y592-T604 HydrophobicContact CD2-CG2 4.14Å; Y592-T604 HydrophobicContact CE2-CG2 3.91Å
593	D	83.2	Confident	81	Confident	11 Å²	11	40.4 Å²	40.4	6%	0.059	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-41.3	172.8	-176.3	43	0	0	0	111.1	V589 L591 G596 V601 R638 F639	V589-D593 WeakPolarHBondContact O-CB 3.45Å; V589-D593 PolarHBondContact O-N 3.05Å; L591-D593 VanDerWaalsContact C-N 3.28Å; L591-D593 PolarHBondContact O-N 3.37Å; D593-G596 PolarHBondContact O-N 2.86Å; D593-V601 HydrophobicContact CB-CG2 4.12Å; D593-R638 IonicContact OD1-CZ 3.73Å; D593-R638 IonicContact OD1-NH1 2.58Å; D593-R638 PolarHBondContact OD1-NH1 3.43Å; D593-R638 IonicContact OD1-NH2 3.02Å; D593-R638 IonicContact OD2-CZ 2.84Å; D593-R638 IonicContact OD2-NH1 2.81Å; D593-R638 PolarHBondContact OD2-NH1 3.29Å; D593-R638 IonicContact OD2-NH2 2.88Å; D593-R638 PolarHBondContact OD2-NH2 2.93Å; D593-F639 WeakPolarHBondContact OD1-CE2 3.43Å
594	L	84.5	Confident	81	Confident	16 Å²	16	38.3 Å²	38.3	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-39.5	173.9	-173.3	70	0	0	0	112.6	L547 V550 V556 I572 Q590 L591 Y592 G596	L547-L594 HydrophobicContact CB-CD2 3.67Å; V550-L594 HydrophobicContact CG2-CB 4.12Å; V550-L594 HydrophobicContact CG2-CD1 3.76Å; V556-L594 HydrophobicContact CG1-CD1 3.47Å; V556-L594 VanDerWaalsContact CG1-CD1 3.47Å; V556-L594 HydrophobicContact CG2-CD1 4.44Å; I572-L594 HydrophobicContact CD1-CD2 3.91Å; I572-L594 HydrophobicContact CD1-CG 3.91Å; I572-L594 HydrophobicContact CG1-CD2 4.2Å; I572-L594 HydrophobicContact CG2-CB 4.33Å; I572-L594 HydrophobicContact CG2-CD2 4.31Å; Q590-L594 WeakPolarHBondContact O-CB 3.5Å; Q590-L594 PolarHBondContact O-N 3.47Å; L591-L594 WeakPolarHBondContact O-CB 3.33Å; L591-L594 PolarHBondContact O-N 2.77Å; Y592-L594 VanDerWaalsContact C-N 3.35Å; L594-G596 PolarHBondContact O-N 2.81Å
595	A	83.1	Confident	80.9	Confident	3 Å²	3	34.5 Å²	34.5	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-70.6	-17.3	176.4	0	0	0	0	0	113.5	I572 Q573 L591 Y592 E597	I572-A595 HydrophobicContact CB-CB 4.16Å; I572-A595 HydrophobicContact CG2-CB 3.78Å; Q573-A595 HydrophobicContact CG-CB 4.19Å; L591-A595 PolarHBondContact O-N 3.03Å; Y592-A595 PolarHBondContact O-N 2.78Å; A595-E597 HydrophobicContact CB-CG 4.19Å
596	G	79.5	Confident	80.6	Confident	25 Å²	25	32.9 Å²	32.9	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	18.4	-173.1	0	0	0	0	0	114.1	Y592 D593 L594 Y598	Y592-G596 PolarHBondContact O-N 3.49Å; Y592-G596 VanDerWaalsContact O-N 3.1Å; D593-G596 PolarHBondContact O-N 2.86Å; L594-G596 PolarHBondContact O-N 2.81Å; G596-Y598 VanDerWaalsContact C-N 3.34Å; G596-Y598 WeakPolarHBondContact O-CD2 3.43Å; G596-Y598 WeakPolarHBondContact O-CE2 3.48Å; G596-Y598 PolarHBondContact O-N 3.17Å; G596-Y598 VanDerWaalsContact O-N 3.12Å
597	E	81.3	Confident	80.5	Confident	72 Å²	72	35 Å²	35	34%	0.336	18%	0.18	S	C	.	.			trans	-87.3	69.4	-179.4	-71.8	-58.6	151.2	0	0	111.5	Q573 Y592 A595 Q599 Q600 V601	Q573-E597 HydrophobicContact CG-CG 4.22Å; Q573-E597 VanDerWaalsContact NE2-CG 3.25Å; Q573-E597 PolarHBondContact NE2-OE1 3.48Å; Y592-E597 HydrophobicContact CD1-CB 4.23Å; Y592-E597 PolarHBondContact O-N 3.21Å; A595-E597 HydrophobicContact CB-CG 4.19Å; E597-Q599 PolarHBondContact O-N 3.31Å; E597-Q599 VanDerWaalsContact O-N 3.1Å; E597-Q600 HydrophobicContact CB-CB 4.29Å; E597-Q600 HydrophobicContact CB-CG 4.41Å; E597-Q600 PolarHBondContact O-N 3.5Å; E597-V601 WeakPolarHBondContact O-CG2 3.09Å; E597-V601 PolarHBondContact O-N 2.95Å
598	Y	75.4	Confident	80	Confident	87 Å²	87	34.1 Å²	34.1	34%	0.341	18%	0.175	S	C	.	.	H	α-helix	trans	-58.4	-30.5	-170.8	-51.6	-55.9	0	0	0	114.4	G596 A602 F639	G596-Y598 VanDerWaalsContact C-N 3.34Å; G596-Y598 WeakPolarHBondContact O-CD2 3.43Å; G596-Y598 WeakPolarHBondContact O-CE2 3.48Å; G596-Y598 PolarHBondContact O-N 3.17Å; G596-Y598 VanDerWaalsContact O-N 3.12Å; Y598-A602 WeakPolarHBondContact O-CB 3.19Å; Y598-A602 PolarHBondContact O-N 3.21Å; Y598-F639 AromaticContact CD1-CD1 3.97Å; Y598-F639 HydrophobicContact CD1-CD1 3.97Å; Y598-F639 HydrophobicContact CD1-CD2 4.31Å; Y598-F639 AromaticContact CD1-CE1 3.99Å; Y598-F639 HydrophobicContact CD1-CE1 3.99Å; Y598-F639 HydrophobicContact CD1-CE2 4.3Å; Y598-F639 HydrophobicContact CD1-CG 4.15Å; Y598-F639 HydrophobicContact CD1-CZ 4.15Å; Y598-F639 AromaticContact CE1-CD1 3.55Å; Y598-F639 HydrophobicContact CE1-CD1 3.55Å; Y598-F639 HydrophobicContact CE1-CD2 4.25Å; Y598-F639 AromaticContact CE1-CE1 3.13Å; Y598-F639 HydrophobicContact CE1-CE1 3.13Å; Y598-F639 AromaticContact CE1-CE2 3.88Å; Y598-F639 HydrophobicContact CE1-CE2 3.88Å; Y598-F639 HydrophobicContact CE1-CG 4.1Å; Y598-F639 AromaticContact CE1-CZ 3.31Å; Y598-F639 HydrophobicContact CE1-CZ 3.31Å; Y598-F639 HydrophobicContact CE2-CE1 4.43Å; Y598-F639 AromaticContact CZ-CD1 3.86Å; Y598-F639 AromaticContact CZ-CE1 3.39Å; Y598-F639 AromaticContact CZ-CZ 3.98Å; Y598-F639 WeakPolarHBondContact OH-CE1 3.28Å
599	Q	76.6	Confident	79.3	Confident	104 Å²	104	34.7 Å²	34.7	49%	0.486	18%	0.178	S	C	.	.	H	α-helix	trans	-67.7	-43.4	177.7	-171.4	60.6	44.2	0	0	111.2	E597 A602 N603	E597-Q599 PolarHBondContact O-N 3.31Å; E597-Q599 VanDerWaalsContact O-N 3.1Å; Q599-A602 PolarHBondContact O-N 3.36Å; Q599-N603 PolarHBondContact NE2-OD1 2.88Å; Q599-N603 VanDerWaalsContact O-CG 3.22Å; Q599-N603 PolarHBondContact O-N 3.19Å; Q599-N603 PolarHBondContact O-ND2 2.91Å; Q599-N603 PolarHBondContact O-OD1 3.49Å
600	Q	81	Confident	78.7	Confident	86 Å²	86	35.7 Å²	35.7	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-70.2	-37.4	177	-62.3	-64	10.2	0	0	111.2	Y592 E597 A602 N603 T604	Y592-Q600 HydrophobicContact CD1-CB 3.87Å; Y592-Q600 HydrophobicContact CD1-CG 4.48Å; Y592-Q600 HydrophobicContact CD2-CB 4.13Å; Y592-Q600 HydrophobicContact CE1-CB 4.1Å; Y592-Q600 HydrophobicContact CE1-CG 4.38Å; Y592-Q600 HydrophobicContact CE2-CB 4.36Å; Y592-Q600 HydrophobicContact CG-CB 3.9Å; E597-Q600 HydrophobicContact CB-CB 4.29Å; E597-Q600 HydrophobicContact CB-CG 4.41Å; E597-Q600 PolarHBondContact O-N 3.5Å; Q600-A602 VanDerWaalsContact C-N 3.34Å; Q600-A602 PolarHBondContact O-N 3.36Å; Q600-N603 PolarHBondContact O-N 3.13Å; Q600-T604 WeakPolarHBondContact O-CB 3.46Å; Q600-T604 WeakPolarHBondContact O-CG2 3.42Å; Q600-T604 PolarHBondContact O-N 3.45Å; Q600-T604 PolarHBondContact O-OG1 2.99Å
601	V	80.2	Confident	78.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.4	-49.4	171	175.5	0	0	0	0	110.8	V589 Y592 D593 E597 T604 L605 I635	V589-V601 HydrophobicContact CG1-CG1 4.17Å; Y592-V601 VanDerWaalsContact CB-CG2 3.47Å; D593-V601 HydrophobicContact CB-CG2 4.12Å; E597-V601 WeakPolarHBondContact O-CG2 3.09Å; E597-V601 PolarHBondContact O-N 2.95Å; V601-T604 PolarHBondContact O-OG1 3.3Å; V601-L605 WeakPolarHBondContact O-CB 3.46Å; V601-L605 PolarHBondContact O-N 2.85Å; V601-I635 HydrophobicContact CG1-CD1 3.92Å; V601-I635 HydrophobicContact CG1-CG2 3.98Å
602	A	73.9	Confident	77.2	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-45.9	-178.6	0	0	0	0	0	111.8	Y598 Q599 Q600 A606 L645 M649	Y598-A602 WeakPolarHBondContact O-CB 3.19Å; Y598-A602 PolarHBondContact O-N 3.21Å; Q599-A602 PolarHBondContact O-N 3.36Å; Q600-A602 VanDerWaalsContact C-N 3.34Å; Q600-A602 PolarHBondContact O-N 3.36Å; A602-A606 VanDerWaalsContact O-CB 3.25Å; A602-A606 WeakPolarHBondContact O-CB 3.28Å; A602-A606 PolarHBondContact O-N 2.94Å; A602-L645 HydrophobicContact CB-CD1 4.23Å; A602-M649 HydrophobicContact CB-CE 4.49Å
603	N	79.4	Confident	76.3	Confident	68 Å²	68	36 Å²	36	36%	0.364	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-50.8	179.6	-67.5	-11.5	0	0	0	111.7	Q599 Q600 L605 A606 D607	Q599-N603 PolarHBondContact NE2-OD1 2.88Å; Q599-N603 VanDerWaalsContact O-CG 3.22Å; Q599-N603 PolarHBondContact O-N 3.19Å; Q599-N603 PolarHBondContact O-ND2 2.91Å; Q599-N603 PolarHBondContact O-OD1 3.49Å; Q600-N603 PolarHBondContact O-N 3.13Å; N603-L605 PolarHBondContact O-N 3.45Å; N603-A606 WeakPolarHBondContact O-CB 3.49Å; N603-A606 PolarHBondContact O-N 3.27Å; N603-D607 PolarHBondContact O-N 3.39Å
604	T	80.2	Confident	75.4	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.055	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-35.7	-179.4	52.7	0	0	0	0	112.7	L580 V589 Y592 Q600 V601 D607 A608	L580-T604 HydrophobicContact CD1-CG2 3.42Å; L580-T604 VanDerWaalsContact CD1-CG2 3.42Å; V589-T604 WeakPolarHBondContact CG2-OG1 3.29Å; Y592-T604 HydrophobicContact CD2-CG2 4.14Å; Y592-T604 HydrophobicContact CE2-CG2 3.91Å; Q600-T604 WeakPolarHBondContact O-CB 3.46Å; Q600-T604 WeakPolarHBondContact O-CG2 3.42Å; Q600-T604 PolarHBondContact O-N 3.45Å; Q600-T604 PolarHBondContact O-OG1 2.99Å; V601-T604 PolarHBondContact O-OG1 3.3Å; T604-D607 PolarHBondContact O-N 2.94Å; T604-A608 WeakPolarHBondContact O-CB 3.4Å; T604-A608 PolarHBondContact O-N 3.46Å
605	L	76.7	Confident	74.1	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-67.6	-39.2	173.1	-176	67.6	0	0	0	111.3	V589 V601 N603 D607 A608 I609 I628 A632	V589-L605 HydrophobicContact CG1-CB 4.42Å; V589-L605 HydrophobicContact CG1-CD1 4.24Å; V589-L605 HydrophobicContact CG2-CB 4.13Å; V589-L605 HydrophobicContact CG2-CD1 4.42Å; V601-L605 WeakPolarHBondContact O-CB 3.46Å; V601-L605 PolarHBondContact O-N 2.85Å; N603-L605 PolarHBondContact O-N 3.45Å; L605-D607 VanDerWaalsContact C-N 3.35Å; L605-A608 PolarHBondContact O-N 3.07Å; L605-I609 HydrophobicContact CD1-CD1 4.33Å; L605-I609 HydrophobicContact CG-CD1 3.93Å; L605-I609 HydrophobicContact CG-CG1 4.49Å; L605-I609 WeakPolarHBondContact O-CB 3.48Å; L605-I609 WeakPolarHBondContact O-CG1 3.21Å; L605-I609 PolarHBondContact O-N 3.48Å; L605-I628 HydrophobicContact CD1-CG2 4.25Å; L605-A632 HydrophobicContact CD1-CB 4.19Å; L605-A632 HydrophobicContact CD2-CB 3.92Å
606	A	72.4	Confident	72.6	Confident	28 Å²	28	49.4 Å²	49.4	23%	0.231	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-43.1	175	0	0	0	0	0	111.4	A602 N603 I609 A610 M649	A602-A606 VanDerWaalsContact O-CB 3.25Å; A602-A606 WeakPolarHBondContact O-CB 3.28Å; A602-A606 PolarHBondContact O-N 2.94Å; N603-A606 WeakPolarHBondContact O-CB 3.49Å; N603-A606 PolarHBondContact O-N 3.27Å; A606-I609 PolarHBondContact O-N 2.96Å; A606-A610 VanDerWaalsContact O-CB 3.27Å; A606-A610 WeakPolarHBondContact O-CB 3Å; A606-A610 PolarHBondContact O-N 2.7Å; A606-M649 HydrophobicContact CB-CE 4.36Å; A606-M649 HydrophobicContact CB-SD 3.62Å
607	D	76.5	Confident	71.1	Confident	90 Å²	90	54 Å²	54	48%	0.481	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-44.8	173.9	-76	-23	0	0	0	111.3	N603 T604 L605 I609 A610 T611	N603-D607 PolarHBondContact O-N 3.39Å; T604-D607 PolarHBondContact O-N 2.94Å; L605-D607 VanDerWaalsContact C-N 3.35Å; D607-I609 PolarHBondContact O-N 3.18Å; D607-A610 PolarHBondContact O-N 3.18Å; D607-T611 WeakPolarHBondContact O-CB 3.44Å; D607-T611 PolarHBondContact O-N 3.31Å; D607-T611 PolarHBondContact O-OG1 3.41Å
608	A	73.5	Confident	69.2	Low	2 Å²	2	57.7 Å²	57.7	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-40.4	177.2	0	0	0	0	0	112.9	E585 T604 L605 T612	E585-A608 HydrophobicContact CB-CB 4.14Å; E585-A608 VanDerWaalsContact OE2-CA 3.26Å; E585-A608 WeakPolarHBondContact OE2-CA 3.49Å; T604-A608 WeakPolarHBondContact O-CB 3.4Å; T604-A608 PolarHBondContact O-N 3.46Å; L605-A608 PolarHBondContact O-N 3.07Å; A608-T612 WeakPolarHBondContact O-CB 3.42Å; A608-T612 WeakPolarHBondContact O-CG2 3.13Å; A608-T612 PolarHBondContact O-N 3.07Å; A608-T612 PolarHBondContact O-OG1 3.24Å
609	I	70.4	Confident	67.8	Low	13 Å²	13	57.5 Å²	57.5	7%	0.067	32%	0.323	C	S	.	.	H	α-helix	trans	-65.7	-45.5	174	-69.3	167.7	0	0	0	110	L605 A606 D607 T611 T612 L613 I628	L605-I609 HydrophobicContact CD1-CD1 4.33Å; L605-I609 HydrophobicContact CG-CD1 3.93Å; L605-I609 HydrophobicContact CG-CG1 4.49Å; L605-I609 WeakPolarHBondContact O-CB 3.48Å; L605-I609 WeakPolarHBondContact O-CG1 3.21Å; L605-I609 PolarHBondContact O-N 3.48Å; A606-I609 PolarHBondContact O-N 2.96Å; D607-I609 PolarHBondContact O-N 3.18Å; I609-T611 PolarHBondContact O-N 3.05Å; I609-T612 WeakPolarHBondContact CA-OG1 3.49Å; I609-T612 PolarHBondContact O-N 3.29Å; I609-T612 PolarHBondContact O-OG1 3.37Å; I609-L613 HydrophobicContact CG2-CD1 3.62Å; I609-L613 HydrophobicContact CG2-CG 4.19Å; I609-L613 WeakPolarHBondContact O-CB 3.29Å; I609-L613 VanDerWaalsContact O-CG 3.23Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.4Å; I609-I628 HydrophobicContact CG1-CG2 3.78Å
610	A	69.8	Low	66.4	Low	21 Å²	21	63.7 Å²	63.7	17%	0.174	34%	0.342	C	S	.	.	H	α-helix	trans	-60.7	-47.2	178.2	0	0	0	0	0	111.3	A606 D607 T612 L613 L614	A606-A610 VanDerWaalsContact O-CB 3.27Å; A606-A610 WeakPolarHBondContact O-CB 3Å; A606-A610 PolarHBondContact O-N 2.7Å; D607-A610 PolarHBondContact O-N 3.18Å; A610-T612 VanDerWaalsContact C-N 3.34Å; A610-T612 PolarHBondContact O-N 2.89Å; A610-L613 PolarHBondContact O-N 3.42Å; A610-L614 VanDerWaalsContact O-CB 3.3Å; A610-L614 WeakPolarHBondContact O-CB 3.4Å; A610-L614 VanDerWaalsContact O-CG 3.27Å; A610-L614 WeakPolarHBondContact O-CG 3.26Å; A610-L614 PolarHBondContact O-N 2.88Å
611	T	70.9	Confident	64.9	Low	68 Å²	68	63.1 Å²	63.1	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-61.6	-40.5	178	-60	0	0	0	0	111.8	D607 I609 G615	D607-T611 WeakPolarHBondContact O-CB 3.44Å; D607-T611 PolarHBondContact O-N 3.31Å; D607-T611 PolarHBondContact O-OG1 3.41Å; I609-T611 PolarHBondContact O-N 3.05Å; T611-G615 PolarHBondContact O-N 3.21Å
612	T	68.3	Low	63.4	Low	22 Å²	22	67.2 Å²	67.2	14%	0.135	37%	0.367	C	S	.	.	H	α-helix	trans	-74.8	-28.6	177.8	50.9	0	0	0	0	114.5	A608 I609 A610 I628	A608-T612 WeakPolarHBondContact O-CB 3.42Å; A608-T612 WeakPolarHBondContact O-CG2 3.13Å; A608-T612 PolarHBondContact O-N 3.07Å; A608-T612 PolarHBondContact O-OG1 3.24Å; I609-T612 WeakPolarHBondContact CA-OG1 3.49Å; I609-T612 PolarHBondContact O-N 3.29Å; I609-T612 PolarHBondContact O-OG1 3.37Å; A610-T612 VanDerWaalsContact C-N 3.34Å; A610-T612 PolarHBondContact O-N 2.89Å; T612-I628 HydrophobicContact CG2-CD1 3.39Å
613	L	65.5	Low	62.3	Low	27 Å²	27	71.1 Å²	71.1	14%	0.141	39%	0.391	C	S	.	.	H	α-helix	trans	-77.5	-41.2	174.9	-73.2	175.7	0	0	0	112.4	I609 A610 G615 L653 I683 V686 L687	I609-L613 HydrophobicContact CG2-CD1 3.62Å; I609-L613 HydrophobicContact CG2-CG 4.19Å; I609-L613 WeakPolarHBondContact O-CB 3.29Å; I609-L613 VanDerWaalsContact O-CG 3.23Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.4Å; A610-L613 PolarHBondContact O-N 3.42Å; L613-G615 VanDerWaalsContact C-N 3.32Å; L613-L653 HydrophobicContact CD1-CD2 3.93Å; L613-I683 HydrophobicContact CB-CG2 4.17Å; L613-V686 HydrophobicContact CD2-CB 4.36Å; L613-V686 HydrophobicContact CD2-CG1 3.64Å; L613-L687 HydrophobicContact CD1-CD1 4.23Å
614	L	63.7	Low	61.3	Low	106 Å²	106	70.4 Å²	70.4	56%	0.555	39%	0.389	S	S	*	.	H	α-helix	trans	-77.3	-18.3	178.6	-67.4	166.6	0	0	0	112.8	A610 R616 I683	A610-L614 VanDerWaalsContact O-CB 3.3Å; A610-L614 WeakPolarHBondContact O-CB 3.4Å; A610-L614 VanDerWaalsContact O-CG 3.27Å; A610-L614 WeakPolarHBondContact O-CG 3.26Å; A610-L614 PolarHBondContact O-N 2.88Å; L614-R616 PolarHBondContact O-N 3.05Å; L614-I683 HydrophobicContact CD2-CD1 4.26Å
615	G	58.6	Low	60.3	Low	19 Å²	19	74.2 Å²	74.2	20%	0.196	40%	0.404	C	S	.	.	S	Bend	trans	-73.4	125	-179.8	0	0	0	0	0	113.5	T611 L613 K621	T611-G615 PolarHBondContact O-N 3.21Å; L613-G615 VanDerWaalsContact C-N 3.32Å; G615-K621 VanDerWaalsContact C-NZ 3.32Å; G615-K621 VanDerWaalsContact CA-NZ 3.34Å
616	R	51.1	Low	59.7	Low	186 Å²	186	77.2 Å²	77.2	70%	0.702	43%	0.426	S	S	*	.			trans	-43.7	139.5	171.4	-84.3	-175.6	178.2	167.5	2.8	113	L614 E618 K621	L614-R616 PolarHBondContact O-N 3.05Å; R616-E618 PolarHBondContact O-N 2.93Å; R616-K621 WeakPolarHBondContact O-CD 3.36Å; R616-K621 WeakPolarHBondContact O-CE 3.37Å; R616-K621 PolarHBondContact O-NZ 3.18Å
617	P	47.1	Very low	59.5	Low	121 Å²	121	80.7 Å²	80.7	79%	0.786	44%	0.437	S	S	*	.			trans	-75.5	87.6	-178.2	31.7	-33.1	0	0	0	110.4
618	E	42.7	Very low	59.1	Low	150 Å²	150	77 Å²	77	70%	0.701	42%	0.417	S	S	*	.			trans	-112.6	138.4	163.7	-67.4	-158.7	178.8	0	0	109.9	R616 R620 K621	R616-E618 PolarHBondContact O-N 2.93Å; E618-R620 PolarHBondContact O-N 2.97Å; E618-K621 PolarHBondContact O-N 3.43Å
619	G	46	Very low	58.8	Low	82 Å²	82	77.8 Å²	77.8	85%	0.845	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-9.5	-155	0	0	0	0	0	119.2
620	R	46.8	Very low	58.9	Low	234 Å²	234	82.1 Å²	82.1	88%	0.883	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-20.4	171	-86.7	-177.6	-177.5	164.4	1.4	113.8	E618 S622	E618-R620 PolarHBondContact O-N 2.97Å; R620-S622 VanDerWaalsContact C-N 3.3Å; R620-S622 PolarHBondContact O-N 3.01Å
621	K	49	Very low	59	Low	75 Å²	75	82.3 Å²	82.3	33%	0.326	45%	0.451	S	S	.	.	H	α-helix	trans	-80.1	-2.6	-176.4	-61.8	-175.4	-173.1	173.2	0	115	G615 R616 E618 T624 K625	G615-K621 VanDerWaalsContact C-NZ 3.32Å; G615-K621 VanDerWaalsContact CA-NZ 3.34Å; R616-K621 WeakPolarHBondContact O-CD 3.36Å; R616-K621 WeakPolarHBondContact O-CE 3.37Å; R616-K621 PolarHBondContact O-NZ 3.18Å; E618-K621 PolarHBondContact O-N 3.43Å; K621-T624 WeakPolarHBondContact CA-OG1 3.38Å; K621-T624 PolarHBondContact O-OG1 3.18Å; K621-T624 VanDerWaalsContact O-OG1 3.1Å; K621-K625 VanDerWaalsContact O-CG 3.25Å; K621-K625 WeakPolarHBondContact O-CG 3.38Å; K621-K625 PolarHBondContact O-N 3.42Å
622	S	48.7	Very low	58.9	Low	86 Å²	86	79.2 Å²	79.2	60%	0.601	43%	0.432	S	S	*	.	H	α-helix	trans	-71.5	-38.9	178.2	-177.8	0	0	0	0	112.2	R620 S626	R620-S622 VanDerWaalsContact C-N 3.3Å; R620-S622 PolarHBondContact O-N 3.01Å; S622-S626 PolarHBondContact O-N 2.98Å
623	V	52	Low	58.9	Low	83 Å²	83	80.3 Å²	80.3	50%	0.503	44%	0.441	S	S	.	.	H	α-helix	trans	-72	-43.3	-177.6	-179.1	0	0	0	0	110.3	K625 S626 E627	V623-K625 VanDerWaalsContact C-N 3.3Å; V623-K625 PolarHBondContact O-N 2.82Å; V623-S626 PolarHBondContact O-N 2.67Å; V623-S626 VanDerWaalsContact O-N 3.1Å; V623-S626 PolarHBondContact O-OG 3.33Å; V623-E627 HydrophobicContact CG1-CG 4.41Å; V623-E627 WeakPolarHBondContact O-CG 3.46Å; V623-E627 PolarHBondContact O-N 2.78Å
624	T	57.8	Low	59.1	Low	53 Å²	53	80.6 Å²	80.6	33%	0.325	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-36.6	176.9	57.4	0	0	0	0	112.1	K621 S626 E627 I628	K621-T624 WeakPolarHBondContact CA-OG1 3.38Å; K621-T624 PolarHBondContact O-OG1 3.18Å; K621-T624 VanDerWaalsContact O-OG1 3.1Å; T624-S626 PolarHBondContact O-N 2.63Å; T624-E627 PolarHBondContact O-N 3.46Å; T624-I628 WeakPolarHBondContact O-CB 3.4Å; T624-I628 WeakPolarHBondContact O-CD1 3.29Å; T624-I628 VanDerWaalsContact O-CG1 3.24Å; T624-I628 WeakPolarHBondContact O-CG1 3.04Å; T624-I628 PolarHBondContact O-N 3.21Å
625	K	58.8	Low	59.4	Low	88 Å²	88	75.6 Å²	75.6	38%	0.383	42%	0.418	S	S	.	.	H	α-helix	trans	-61.6	-42.1	173.4	-77.7	178.5	-178.2	-168.4	0	112.6	K621 V623 G629	K621-K625 VanDerWaalsContact O-CG 3.25Å; K621-K625 WeakPolarHBondContact O-CG 3.38Å; K621-K625 PolarHBondContact O-N 3.42Å; V623-K625 VanDerWaalsContact C-N 3.3Å; V623-K625 PolarHBondContact O-N 2.82Å; K625-G629 PolarHBondContact O-N 3.03Å
626	S	64.2	Low	59.7	Low	68 Å²	68	74.9 Å²	74.9	48%	0.476	41%	0.41	S	S	.	.	H	α-helix	trans	-68.4	-42	176.8	55.2	0	0	0	0	112.5	S622 V623 T624 G629 V630	S622-S626 PolarHBondContact O-N 2.98Å; V623-S626 PolarHBondContact O-N 2.67Å; V623-S626 VanDerWaalsContact O-N 3.1Å; V623-S626 PolarHBondContact O-OG 3.33Å; T624-S626 PolarHBondContact O-N 2.63Å; S626-G629 PolarHBondContact O-N 3.13Å; S626-V630 VanDerWaalsContact O-CG2 3.27Å; S626-V630 WeakPolarHBondContact O-CG2 3.29Å; S626-V630 PolarHBondContact O-N 2.86Å
627	E	67.6	Low	60.5	Low	100 Å²	100	68.6 Å²	68.6	47%	0.467	39%	0.392	S	S	.	.	H	α-helix	trans	-68.7	-43.9	-178.6	-69.7	172.1	166.4	0	0	111.8	L586 V623 T624 G629 V630 L631	L586-E627 HydrophobicContact CD1-CB 3.88Å; V623-E627 HydrophobicContact CG1-CG 4.41Å; V623-E627 WeakPolarHBondContact O-CG 3.46Å; V623-E627 PolarHBondContact O-N 2.78Å; T624-E627 PolarHBondContact O-N 3.46Å; E627-G629 VanDerWaalsContact C-N 3.32Å; E627-G629 PolarHBondContact O-N 2.94Å; E627-V630 PolarHBondContact O-N 2.96Å; E627-L631 VanDerWaalsContact O-CB 3.29Å; E627-L631 WeakPolarHBondContact O-CB 3.48Å; E627-L631 PolarHBondContact O-N 2.78Å
628	I	68.2	Low	61.4	Low	13 Å²	13	65.2 Å²	65.2	7%	0.067	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-41	174.8	-68.5	162.9	0	0	0	110.3	L586 L605 I609 T612 T624 L631 A632	L586-I628 HydrophobicContact CD1-CG1 3.68Å; L586-I628 HydrophobicContact CG-CG1 4.42Å; L605-I628 HydrophobicContact CD1-CG2 4.25Å; I609-I628 HydrophobicContact CG1-CG2 3.78Å; T612-I628 HydrophobicContact CG2-CD1 3.39Å; T624-I628 WeakPolarHBondContact O-CB 3.4Å; T624-I628 WeakPolarHBondContact O-CD1 3.29Å; T624-I628 VanDerWaalsContact O-CG1 3.24Å; T624-I628 WeakPolarHBondContact O-CG1 3.04Å; T624-I628 PolarHBondContact O-N 3.21Å; I628-L631 PolarHBondContact O-N 2.86Å; I628-A632 WeakPolarHBondContact O-CB 3.43Å; I628-A632 PolarHBondContact O-N 3.49Å
629	G	67.3	Low	62.5	Low	19 Å²	19	59.9 Å²	59.9	20%	0.196	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-44	177	0	0	0	0	0	112.9	K625 S626 E627 S633	K625-G629 PolarHBondContact O-N 3.03Å; S626-G629 PolarHBondContact O-N 3.13Å; E627-G629 VanDerWaalsContact C-N 3.32Å; E627-G629 PolarHBondContact O-N 2.94Å; G629-S633 VanDerWaalsContact O-CB 3.24Å; G629-S633 WeakPolarHBondContact O-CB 3.3Å; G629-S633 PolarHBondContact O-N 3.49Å
630	V	72.5	Confident	63.1	Low	104 Å²	104	61.6 Å²	61.6	63%	0.63	33%	0.327	S	S	*	.	H	α-helix	trans	-66.3	-44.2	176.4	172.1	0	0	0	0	111.1	S626 E627 S633 S634	S626-V630 VanDerWaalsContact O-CG2 3.27Å; S626-V630 WeakPolarHBondContact O-CG2 3.29Å; S626-V630 PolarHBondContact O-N 2.86Å; E627-V630 PolarHBondContact O-N 2.96Å; V630-S633 PolarHBondContact O-N 3.35Å; V630-S634 WeakPolarHBondContact O-CB 3.5Å; V630-S634 PolarHBondContact O-N 3.17Å
631	L	71.7	Confident	63.5	Low	25 Å²	25	55.1 Å²	55.1	13%	0.131	31%	0.31	C	S	.	.	H	α-helix	trans	-64.1	-48.3	179.2	-175.6	64.4	0	0	0	111.2	L586 V589 Q590 E627 I628 S633 S634 I635	L586-L631 HydrophobicContact CD2-CD2 4Å; L586-L631 HydrophobicContact CG-CD2 4.08Å; V589-L631 HydrophobicContact CB-CD2 4.08Å; V589-L631 HydrophobicContact CG1-CD2 3.63Å; V589-L631 HydrophobicContact CG1-CG 4.25Å; Q590-L631 HydrophobicContact CG-CD1 3.98Å; Q590-L631 HydrophobicContact CG-CD2 4.03Å; E627-L631 VanDerWaalsContact O-CB 3.29Å; E627-L631 WeakPolarHBondContact O-CB 3.48Å; E627-L631 PolarHBondContact O-N 2.78Å; I628-L631 PolarHBondContact O-N 2.86Å; L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 2.82Å; L631-S634 PolarHBondContact O-N 2.93Å; L631-I635 HydrophobicContact CD1-CD1 4Å; L631-I635 HydrophobicContact CD1-CG1 4.39Å; L631-I635 HydrophobicContact CG-CD1 3.81Å; L631-I635 VanDerWaalsContact O-CG1 3.3Å; L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 3.37Å
632	A	69.5	Low	63.8	Low	3 Å²	3	51.8 Å²	51.8	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-43.6	175.2	0	0	0	0	0	111.4	L605 I628 I635 Y636 Y690	L605-A632 HydrophobicContact CD1-CB 4.19Å; L605-A632 HydrophobicContact CD2-CB 3.92Å; I628-A632 WeakPolarHBondContact O-CB 3.43Å; I628-A632 PolarHBondContact O-N 3.49Å; A632-I635 PolarHBondContact O-N 3.29Å; A632-Y636 WeakPolarHBondContact O-CB 3.48Å; A632-Y636 PolarHBondContact O-N 3.35Å; A632-Y690 WeakPolarHBondContact CB-OH 3.06Å
633	S	68.5	Low	64.1	Low	45 Å²	45	53.5 Å²	53.5	32%	0.315	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-42.4	175.9	-174	0	0	0	0	112	G629 V630 L631 Y636 T637	G629-S633 VanDerWaalsContact O-CB 3.24Å; G629-S633 WeakPolarHBondContact O-CB 3.3Å; G629-S633 PolarHBondContact O-N 3.49Å; V630-S633 PolarHBondContact O-N 3.35Å; L631-S633 VanDerWaalsContact C-N 3.31Å; L631-S633 PolarHBondContact O-N 2.82Å; S633-Y636 PolarHBondContact O-N 3.33Å; S633-T637 WeakPolarHBondContact O-CB 3.3Å; S633-T637 WeakPolarHBondContact O-CG2 3.43Å; S633-T637 PolarHBondContact O-N 3.27Å; S633-T637 PolarHBondContact O-OG1 3.07Å
634	S	69.6	Low	64.5	Low	33 Å²	33	54.4 Å²	54.4	23%	0.231	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-44.8	176.2	177.5	0	0	0	0	112.3	V630 L631 T637 R638	V630-S634 WeakPolarHBondContact O-CB 3.5Å; V630-S634 PolarHBondContact O-N 3.17Å; L631-S634 PolarHBondContact O-N 2.93Å; S634-T637 WeakPolarHBondContact CA-OG1 3.47Å; S634-T637 PolarHBondContact O-N 3.13Å; S634-T637 PolarHBondContact O-OG1 3.45Å; S634-R638 WeakPolarHBondContact O-CG 3.47Å; S634-R638 PolarHBondContact O-N 3.36Å; S634-R638 PolarHBondContact O-NE 3.15Å
635	I	69.8	Low	64.8	Low	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-67.9	-43.6	178.1	-66.1	168.8	0	0	0	110.1	V589 V601 L631 A632 T637 R638 F639 V642	V589-I635 HydrophobicContact CG1-CD1 3.58Å; V601-I635 HydrophobicContact CG1-CD1 3.92Å; V601-I635 HydrophobicContact CG1-CG2 3.98Å; L631-I635 HydrophobicContact CD1-CD1 4Å; L631-I635 HydrophobicContact CD1-CG1 4.39Å; L631-I635 HydrophobicContact CG-CD1 3.81Å; L631-I635 VanDerWaalsContact O-CG1 3.3Å; L631-I635 WeakPolarHBondContact O-CG1 3.4Å; L631-I635 PolarHBondContact O-N 3.37Å; A632-I635 PolarHBondContact O-N 3.29Å; I635-T637 VanDerWaalsContact C-N 3.27Å; I635-T637 PolarHBondContact O-N 2.95Å; I635-R638 PolarHBondContact O-N 2.95Å; I635-R638 VanDerWaalsContact O-N 3.14Å; I635-F639 HydrophobicContact CG2-CD2 4.04Å; I635-F639 WeakPolarHBondContact O-CD2 3.25Å; I635-F639 PolarHBondContact O-N 3.4Å; I635-V642 HydrophobicContact CG2-CG1 4.27Å; I635-V642 HydrophobicContact CG2-CG2 4.14Å
636	Y	65.6	Low	65.2	Low	4 Å²	4	50.1 Å²	50.1	2%	0.016	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-39.9	176.7	-173.8	-83.9	0	0	0	112.3	A632 S633 R638 R643 L646 I694 R697 L698	A632-Y636 WeakPolarHBondContact O-CB 3.48Å; A632-Y636 PolarHBondContact O-N 3.35Å; S633-Y636 PolarHBondContact O-N 3.33Å; Y636-R638 PolarHBondContact O-N 3.38Å; Y636-R643 HydrophobicContact CE1-CG 3.86Å; Y636-R643 HydrophobicContact CE2-CB 4.37Å; Y636-R643 HydrophobicContact CE2-CG 3.98Å; Y636-R643 VanDerWaalsContact CZ-CG 3.47Å; Y636-R643 WeakPolarHBondContact OH-CG 3.24Å; Y636-L646 HydrophobicContact CD2-CB 4.07Å; Y636-L646 HydrophobicContact CD2-CD2 3.26Å; Y636-L646 HydrophobicContact CD2-CG 4.26Å; Y636-L646 HydrophobicContact CE2-CB 3.93Å; Y636-L646 HydrophobicContact CE2-CD2 3.47Å; Y636-L646 VanDerWaalsContact CE2-CD2 3.47Å; Y636-L646 HydrophobicContact CE2-CG 4.25Å; Y636-L646 HydrophobicContact CG-CD2 4.25Å; Y636-I694 HydrophobicContact CD1-CG2 4.3Å; Y636-I694 HydrophobicContact CE1-CG2 4.39Å; Y636-R697 HydrophobicContact CD1-CB 4.08Å; Y636-R697 HydrophobicContact CD1-CG 4.37Å; Y636-R697 HydrophobicContact CE1-CB 3.37Å; Y636-R697 HydrophobicContact CE1-CG 3.87Å; Y636-R697 PolarHBondContact OH-O 3.03Å; Y636-L698 PolarHBondContact OH-N 3.42Å
637	T	66.9	Low	65.5	Low	54 Å²	54	48 Å²	48	33%	0.331	25%	0.252	S	S	.	.	H	α-helix	trans	-69.2	-25.8	-179.4	54.4	0	0	0	0	112.9	S633 S634 I635 R697	S633-T637 WeakPolarHBondContact O-CB 3.3Å; S633-T637 WeakPolarHBondContact O-CG2 3.43Å; S633-T637 PolarHBondContact O-N 3.27Å; S633-T637 PolarHBondContact O-OG1 3.07Å; S634-T637 WeakPolarHBondContact CA-OG1 3.47Å; S634-T637 PolarHBondContact O-N 3.13Å; S634-T637 PolarHBondContact O-OG1 3.45Å; I635-T637 VanDerWaalsContact C-N 3.27Å; I635-T637 PolarHBondContact O-N 2.95Å; T637-R697 PolarHBondContact O-NH1 3.29Å
638	R	66.8	Low	65.7	Low	50 Å²	50	47.7 Å²	47.7	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-89.9	-35.4	-178.1	-72.5	-176.3	-73.3	139.3	-7.6	114.5	D593 S634 I635 Y636	D593-R638 IonicContact OD1-CZ 3.73Å; D593-R638 IonicContact OD1-NH1 2.58Å; D593-R638 PolarHBondContact OD1-NH1 3.43Å; D593-R638 IonicContact OD1-NH2 3.02Å; D593-R638 IonicContact OD2-CZ 2.84Å; D593-R638 IonicContact OD2-NH1 2.81Å; D593-R638 PolarHBondContact OD2-NH1 3.29Å; D593-R638 IonicContact OD2-NH2 2.88Å; D593-R638 PolarHBondContact OD2-NH2 2.93Å; S634-R638 WeakPolarHBondContact O-CG 3.47Å; S634-R638 PolarHBondContact O-N 3.36Å; S634-R638 PolarHBondContact O-NE 3.15Å; I635-R638 PolarHBondContact O-N 2.95Å; I635-R638 VanDerWaalsContact O-N 3.14Å; Y636-R638 PolarHBondContact O-N 3.38Å
639	F	65	Low	65.9	Low	39 Å²	39	49.1 Å²	49.1	17%	0.171	26%	0.26	C	S	.	.			trans	-116.4	117.8	-168.6	-62.6	-70.4	0	0	0	114.8	D593 Y598 I635 I641 V642 R643	D593-F639 WeakPolarHBondContact OD1-CE2 3.43Å; Y598-F639 AromaticContact CD1-CD1 3.97Å; Y598-F639 HydrophobicContact CD1-CD1 3.97Å; Y598-F639 HydrophobicContact CD1-CD2 4.31Å; Y598-F639 AromaticContact CD1-CE1 3.99Å; Y598-F639 HydrophobicContact CD1-CE1 3.99Å; Y598-F639 HydrophobicContact CD1-CE2 4.3Å; Y598-F639 HydrophobicContact CD1-CG 4.15Å; Y598-F639 HydrophobicContact CD1-CZ 4.15Å; Y598-F639 AromaticContact CE1-CD1 3.55Å; Y598-F639 HydrophobicContact CE1-CD1 3.55Å; Y598-F639 HydrophobicContact CE1-CD2 4.25Å; Y598-F639 AromaticContact CE1-CE1 3.13Å; Y598-F639 HydrophobicContact CE1-CE1 3.13Å; Y598-F639 AromaticContact CE1-CE2 3.88Å; Y598-F639 HydrophobicContact CE1-CE2 3.88Å; Y598-F639 HydrophobicContact CE1-CG 4.1Å; Y598-F639 AromaticContact CE1-CZ 3.31Å; Y598-F639 HydrophobicContact CE1-CZ 3.31Å; Y598-F639 HydrophobicContact CE2-CE1 4.43Å; Y598-F639 AromaticContact CZ-CD1 3.86Å; Y598-F639 AromaticContact CZ-CE1 3.39Å; Y598-F639 AromaticContact CZ-CZ 3.98Å; Y598-F639 WeakPolarHBondContact OH-CE1 3.28Å; I635-F639 HydrophobicContact CG2-CD2 4.04Å; I635-F639 WeakPolarHBondContact O-CD2 3.25Å; I635-F639 PolarHBondContact O-N 3.4Å; F639-I641 VanDerWaalsContact C-N 3.28Å; F639-I641 PolarHBondContact O-N 2.98Å; F639-V642 HydrophobicContact CB-CB 4.05Å; F639-V642 HydrophobicContact CB-CG2 3.75Å; F639-V642 PolarHBondContact O-N 3.34Å; F639-R643 PolarHBondContact O-N 2.92Å
640	L	60	Low	66.3	Low	117 Å²	117	48.5 Å²	48.5	61%	0.613	25%	0.252	S	S	*	.	H	α-helix	trans	-61.2	-33.4	176.3	-166.2	74.6	0	0	0	112.8	R643 I644	L640-R643 WeakPolarHBondContact O-CB 3.5Å; L640-R643 PolarHBondContact O-N 3.08Å; L640-I644 PolarHBondContact O-N 3.5Å
641	I	55.3	Low	66.6	Low	99 Å²	99	44.6 Å²	44.6	51%	0.508	23%	0.228	S	C	.	.	H	α-helix	trans	-71.2	-41.9	178.7	-66.3	169.4	0	0	0	110.8	F639 R643 I644 L645	F639-I641 VanDerWaalsContact C-N 3.28Å; F639-I641 PolarHBondContact O-N 2.98Å; I641-R643 PolarHBondContact O-N 3.24Å; I641-I644 PolarHBondContact O-N 3.21Å; I641-I644 VanDerWaalsContact O-N 3.1Å; I641-L645 HydrophobicContact CG2-CD1 4.04Å; I641-L645 PolarHBondContact O-N 3.02Å
642	V	55.3	Low	66.9	Low	4 Å²	4	46.5 Å²	46.5	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-32.3	173.1	-178.7	0	0	0	0	110.5	I635 F639 I644 L645 L646	I635-V642 HydrophobicContact CG2-CG1 4.27Å; I635-V642 HydrophobicContact CG2-CG2 4.14Å; F639-V642 HydrophobicContact CB-CB 4.05Å; F639-V642 HydrophobicContact CB-CG2 3.75Å; F639-V642 PolarHBondContact O-N 3.34Å; V642-I644 VanDerWaalsContact C-N 3.26Å; V642-I644 PolarHBondContact O-N 3.49Å; V642-L645 PolarHBondContact O-N 3.33Å; V642-L646 WeakPolarHBondContact O-CB 3.26Å; V642-L646 PolarHBondContact O-N 2.86Å
643	R	53.8	Low	67.4	Low	123 Å²	123	47.8 Å²	47.8	46%	0.464	25%	0.25	S	C	.	.	H	α-helix	trans	-58.3	-37.2	172.7	-153.4	-178.7	74	163.6	1.1	113	Y636 F639 L640 I641 N647	Y636-R643 HydrophobicContact CE1-CG 3.86Å; Y636-R643 HydrophobicContact CE2-CB 4.37Å; Y636-R643 HydrophobicContact CE2-CG 3.98Å; Y636-R643 VanDerWaalsContact CZ-CG 3.47Å; Y636-R643 WeakPolarHBondContact OH-CG 3.24Å; F639-R643 PolarHBondContact O-N 2.92Å; L640-R643 WeakPolarHBondContact O-CB 3.5Å; L640-R643 PolarHBondContact O-N 3.08Å; I641-R643 PolarHBondContact O-N 3.24Å; R643-N647 PolarHBondContact O-ND2 3.47Å
644	I	61.2	Low	68.1	Low	101 Å²	101	45.7 Å²	45.7	52%	0.518	24%	0.235	S	C	.	.	H	α-helix	trans	-75.6	-51.5	178.5	-63.3	167.2	0	0	0	109.3	L640 I641 V642 L646 N647	L640-I644 PolarHBondContact O-N 3.5Å; I641-I644 PolarHBondContact O-N 3.21Å; I641-I644 VanDerWaalsContact O-N 3.1Å; V642-I644 VanDerWaalsContact C-N 3.26Å; V642-I644 PolarHBondContact O-N 3.49Å; I644-L646 PolarHBondContact O-N 3.3Å; I644-N647 PolarHBondContact O-N 2.92Å
645	L	64.2	Low	68.7	Low	47 Å²	47	49.7 Å²	49.7	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-35.8	-175.8	-66.5	172.3	0	0	0	113.3	A602 I641 V642 N647 D648 M649	A602-L645 HydrophobicContact CB-CD1 4.23Å; I641-L645 HydrophobicContact CG2-CD1 4.04Å; I641-L645 PolarHBondContact O-N 3.02Å; V642-L645 PolarHBondContact O-N 3.33Å; L645-N647 VanDerWaalsContact C-N 3.32Å; L645-N647 PolarHBondContact O-N 3.44Å; L645-D648 PolarHBondContact O-N 3.47Å; L645-M649 WeakPolarHBondContact O-CB 3.48Å; L645-M649 VanDerWaalsContact O-CG 3.26Å; L645-M649 WeakPolarHBondContact O-CG 3.21Å; L645-M649 PolarHBondContact O-N 2.69Å
646	L	66.6	Low	69.2	Low	5 Å²	5	55.8 Å²	55.8	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-36.3	-177.9	-171.5	69.1	0	0	0	112.4	Y636 V642 I644 D648 M649 L650 I694	Y636-L646 HydrophobicContact CD2-CB 4.07Å; Y636-L646 HydrophobicContact CD2-CD2 3.26Å; Y636-L646 HydrophobicContact CD2-CG 4.26Å; Y636-L646 HydrophobicContact CE2-CB 3.93Å; Y636-L646 HydrophobicContact CE2-CD2 3.47Å; Y636-L646 VanDerWaalsContact CE2-CD2 3.47Å; Y636-L646 HydrophobicContact CE2-CG 4.25Å; Y636-L646 HydrophobicContact CG-CD2 4.25Å; V642-L646 WeakPolarHBondContact O-CB 3.26Å; V642-L646 PolarHBondContact O-N 2.86Å; I644-L646 PolarHBondContact O-N 3.3Å; L646-D648 VanDerWaalsContact C-N 3.35Å; L646-M649 HydrophobicContact CB-CE 4.36Å; L646-M649 HydrophobicContact CD1-CE 3.72Å; L646-M649 PolarHBondContact O-N 2.9Å; L646-L650 HydrophobicContact CD1-CD1 4.35Å; L646-L650 HydrophobicContact CD1-CG 4.26Å; L646-L650 HydrophobicContact CD2-CD1 4.29Å; L646-L650 HydrophobicContact CG-CD1 3.9Å; L646-L650 HydrophobicContact CG-CG 4.24Å; L646-L650 WeakPolarHBondContact O-CB 3.49Å; L646-L650 VanDerWaalsContact O-CG 3.3Å; L646-L650 WeakPolarHBondContact O-CG 3.48Å; L646-L650 PolarHBondContact O-N 3.12Å; L646-I694 HydrophobicContact CD2-CD1 4.2Å
647	N	70.6	Confident	69.9	Low	24 Å²	24	55.8 Å²	55.8	13%	0.128	28%	0.278	C	S	.	.	H	α-helix	trans	-60.5	-48.7	175.1	-69.4	-19.8	0	0	0	110.2	R643 I644 L645 L650 I651 L698 A702	R643-N647 PolarHBondContact O-ND2 3.47Å; I644-N647 PolarHBondContact O-N 2.92Å; L645-N647 VanDerWaalsContact C-N 3.32Å; L645-N647 PolarHBondContact O-N 3.44Å; N647-L650 PolarHBondContact O-N 3.15Å; N647-I651 WeakPolarHBondContact O-CB 3.4Å; N647-I651 WeakPolarHBondContact O-CD1 3.3Å; N647-I651 VanDerWaalsContact O-CG1 3.22Å; N647-I651 WeakPolarHBondContact O-CG1 3.37Å; N647-I651 PolarHBondContact O-N 3.18Å; N647-L698 WeakPolarHBondContact OD1-CD2 3.5Å; N647-L698 WeakPolarHBondContact OD1-CG 3.41Å; N647-A702 HydrophobicContact CB-CB 4.14Å
648	D	71.4	Confident	70.7	Confident	92 Å²	92	53.5 Å²	53.5	49%	0.492	26%	0.264	S	S	.	.	H	α-helix	trans	-66.9	-38	-178.8	-67.9	-22.7	0	0	0	111.9	L645 L646 S652	L645-D648 PolarHBondContact O-N 3.47Å; L646-D648 VanDerWaalsContact C-N 3.35Å; D648-S652 WeakPolarHBondContact O-CB 3.28Å; D648-S652 PolarHBondContact O-N 3.47Å; D648-S652 PolarHBondContact O-OG 2.79Å
649	M	72.7	Confident	71.4	Confident	44 Å²	44	55.5 Å²	55.5	22%	0.217	28%	0.276	C	S	.	.	H	α-helix	trans	-65.7	-47.5	176.3	-71.6	-172.5	-48.2	0	0	111.9	A602 A606 L645 L646 I651 S652 L653	A602-M649 HydrophobicContact CB-CE 4.49Å; A606-M649 HydrophobicContact CB-CE 4.36Å; A606-M649 HydrophobicContact CB-SD 3.62Å; L645-M649 WeakPolarHBondContact O-CB 3.48Å; L645-M649 VanDerWaalsContact O-CG 3.26Å; L645-M649 WeakPolarHBondContact O-CG 3.21Å; L645-M649 PolarHBondContact O-N 2.69Å; L646-M649 HydrophobicContact CB-CE 4.36Å; L646-M649 HydrophobicContact CD1-CE 3.72Å; L646-M649 PolarHBondContact O-N 2.9Å; M649-I651 VanDerWaalsContact C-N 3.35Å; M649-I651 PolarHBondContact O-N 3.22Å; M649-S652 PolarHBondContact O-N 3.5Å; M649-L653 VanDerWaalsContact O-CB 3.32Å; M649-L653 WeakPolarHBondContact O-CB 3.45Å; M649-L653 PolarHBondContact O-N 2.6Å
650	L	75	Confident	72.1	Confident	5 Å²	5	57.6 Å²	57.6	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-63.3	-42.4	178.7	-72.2	171.2	0	0	0	111.2	L646 N647 M654 L687 Y690 A691 L698 L706	L646-L650 HydrophobicContact CD1-CD1 4.35Å; L646-L650 HydrophobicContact CD1-CG 4.26Å; L646-L650 HydrophobicContact CD2-CD1 4.29Å; L646-L650 HydrophobicContact CG-CD1 3.9Å; L646-L650 HydrophobicContact CG-CG 4.24Å; L646-L650 WeakPolarHBondContact O-CB 3.49Å; L646-L650 VanDerWaalsContact O-CG 3.3Å; L646-L650 WeakPolarHBondContact O-CG 3.48Å; L646-L650 PolarHBondContact O-N 3.12Å; N647-L650 PolarHBondContact O-N 3.15Å; L650-M654 WeakPolarHBondContact O-CB 3.44Å; L650-M654 PolarHBondContact O-N 3.03Å; L650-L687 HydrophobicContact CD2-CD1 4.44Å; L650-L687 HydrophobicContact CD2-CD2 4.33Å; L650-L687 HydrophobicContact CD2-CG 4.2Å; L650-Y690 HydrophobicContact CD2-CD1 4.26Å; L650-Y690 HydrophobicContact CD2-CE1 4.42Å; L650-A691 HydrophobicContact CD1-CB 4.38Å; L650-L698 HydrophobicContact CD1-CD1 4.4Å; L650-L698 HydrophobicContact CD1-CD2 3.88Å; L650-L706 HydrophobicContact CB-CD1 4.16Å; L650-L706 HydrophobicContact CB-CD2 4.35Å; L650-L706 WeakPolarHBondContact O-CD2 3.14Å
651	I	78.3	Confident	73.2	Confident	23 Å²	23	52.7 Å²	52.7	12%	0.118	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-43.6	175.6	-68.9	166.2	0	0	0	110.8	N647 M649 M654 K655 A702 L706 L709	N647-I651 WeakPolarHBondContact O-CB 3.4Å; N647-I651 WeakPolarHBondContact O-CD1 3.3Å; N647-I651 VanDerWaalsContact O-CG1 3.22Å; N647-I651 WeakPolarHBondContact O-CG1 3.37Å; N647-I651 PolarHBondContact O-N 3.18Å; M649-I651 VanDerWaalsContact C-N 3.35Å; M649-I651 PolarHBondContact O-N 3.22Å; I651-M654 PolarHBondContact O-N 3.43Å; I651-K655 HydrophobicContact CG2-CD 4.14Å; I651-K655 HydrophobicContact CG2-CG 4.47Å; I651-K655 VanDerWaalsContact O-CG 3.32Å; I651-K655 WeakPolarHBondContact O-CG 3.43Å; I651-K655 PolarHBondContact O-N 3.13Å; I651-A702 HydrophobicContact CD1-CB 4.08Å; I651-L706 HydrophobicContact CG1-CD2 4.31Å; I651-L706 HydrophobicContact CG1-CG 4.47Å; I651-L709 HydrophobicContact CG2-CD1 4.4Å
652	S	79.3	Confident	74.5	Confident	64 Å²	64	54.2 Å²	54.2	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-42.6	179.5	-61	0	0	0	0	111.7	D648 M649 M654 K655 M656	D648-S652 WeakPolarHBondContact O-CB 3.28Å; D648-S652 PolarHBondContact O-N 3.47Å; D648-S652 PolarHBondContact O-OG 2.79Å; M649-S652 PolarHBondContact O-N 3.5Å; S652-M654 VanDerWaalsContact C-N 3.34Å; S652-M654 PolarHBondContact O-N 3.45Å; S652-K655 WeakPolarHBondContact O-CB 3.19Å; S652-K655 PolarHBondContact O-N 2.86Å; S652-M656 WeakPolarHBondContact O-CG 3.46Å; S652-M656 PolarHBondContact O-N 3.26Å
653	L	80.1	Confident	75.6	Confident	31 Å²	31	58.3 Å²	58.3	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-43.2	174.6	-176.6	57.9	0	0	0	111	L613 M649 K655 M656 L657 L687	L613-L653 HydrophobicContact CD1-CD2 3.93Å; M649-L653 VanDerWaalsContact O-CB 3.32Å; M649-L653 WeakPolarHBondContact O-CB 3.45Å; M649-L653 PolarHBondContact O-N 2.6Å; L653-K655 PolarHBondContact O-N 2.86Å; L653-M656 HydrophobicContact CD1-CE 4.33Å; L653-M656 PolarHBondContact O-N 3.07Å; L653-L657 WeakPolarHBondContact O-CG 3.46Å; L653-L657 PolarHBondContact O-N 3.43Å; L653-L687 HydrophobicContact CB-CD1 4.06Å; L653-L687 HydrophobicContact CD2-CD1 3.4Å; L653-L687 HydrophobicContact CG-CD1 3.59Å
654	M	82.6	Confident	76.6	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-40.6	174.6	-173	62.1	102.3	0	0	112.3	L650 I651 S652 M656 L657 V658 A684 L687 V688 L706 L709 Q710	L650-M654 WeakPolarHBondContact O-CB 3.44Å; L650-M654 PolarHBondContact O-N 3.03Å; I651-M654 PolarHBondContact O-N 3.43Å; S652-M654 VanDerWaalsContact C-N 3.34Å; S652-M654 PolarHBondContact O-N 3.45Å; M654-M656 VanDerWaalsContact C-N 3.34Å; M654-M656 PolarHBondContact O-N 3.36Å; M654-L657 PolarHBondContact O-N 3.41Å; M654-V658 VanDerWaalsContact O-CG2 3.3Å; M654-V658 WeakPolarHBondContact O-CG2 3.32Å; M654-V658 PolarHBondContact O-N 2.96Å; M654-A684 HydrophobicContact CE-CB 4.08Å; M654-A684 HydrophobicContact SD-CB 3.73Å; M654-L687 HydrophobicContact CB-CD2 4.28Å; M654-L687 HydrophobicContact CE-CD2 3.97Å; M654-V688 HydrophobicContact CE-CG2 3.38Å; M654-L706 HydrophobicContact CB-CD2 3.52Å; M654-L706 HydrophobicContact CE-CB 4.49Å; M654-L706 HydrophobicContact CE-CD2 4.4Å; M654-L706 WeakPolarHBondContact CE-O 3.49Å; M654-L706 HydrophobicContact CG-CD2 3.97Å; M654-L709 HydrophobicContact CB-CD1 4.07Å; M654-L709 HydrophobicContact CG-CB 3.45Å; M654-L709 VanDerWaalsContact CG-CB 3.45Å; M654-L709 HydrophobicContact CG-CD1 3.8Å; M654-L709 HydrophobicContact CG-CG 4.28Å; M654-Q710 HydrophobicContact CE-CB 3.81Å; M654-Q710 HydrophobicContact CE-CG 4.42Å
655	K	82.7	Confident	77.2	Confident	118 Å²	118	54.8 Å²	54.8	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-40.5	174	-74.7	172.9	179.2	174.9	0	112	I651 S652 L653 V658 E659 L709	I651-K655 HydrophobicContact CG2-CD 4.14Å; I651-K655 HydrophobicContact CG2-CG 4.47Å; I651-K655 VanDerWaalsContact O-CG 3.32Å; I651-K655 WeakPolarHBondContact O-CG 3.43Å; I651-K655 PolarHBondContact O-N 3.13Å; S652-K655 WeakPolarHBondContact O-CB 3.19Å; S652-K655 PolarHBondContact O-N 2.86Å; L653-K655 PolarHBondContact O-N 2.86Å; K655-V658 PolarHBondContact O-N 2.82Å; K655-E659 PolarHBondContact O-N 3.41Å; K655-L709 HydrophobicContact CG-CD1 3.87Å; K655-L709 HydrophobicContact CG-CD2 4.37Å
656	M	80.7	Confident	77.4	Confident	127 Å²	127	59.6 Å²	59.6	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-63.7	-42.3	175.2	-67.4	-147.3	-58.2	0	0	111.8	S652 L653 M654 V658 E659 E660	S652-M656 WeakPolarHBondContact O-CG 3.46Å; S652-M656 PolarHBondContact O-N 3.26Å; L653-M656 HydrophobicContact CD1-CE 4.33Å; L653-M656 PolarHBondContact O-N 3.07Å; M654-M656 VanDerWaalsContact C-N 3.34Å; M654-M656 PolarHBondContact O-N 3.36Å; M656-V658 VanDerWaalsContact C-N 3.35Å; M656-V658 PolarHBondContact O-N 2.86Å; M656-E659 PolarHBondContact O-N 3.25Å; M656-E660 WeakPolarHBondContact O-CB 3.35Å; M656-E660 PolarHBondContact O-N 3.1Å
657	L	80.6	Confident	77.2	Confident	4 Å²	4	69 Å²	69	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-63	-40.1	175.4	-68.7	168.5	0	0	0	112	L653 M654 F661 V680 I683 A684 L687	L653-L657 WeakPolarHBondContact O-CG 3.46Å; L653-L657 PolarHBondContact O-N 3.43Å; M654-L657 PolarHBondContact O-N 3.41Å; L657-F661 VanDerWaalsContact O-CB 3.28Å; L657-F661 WeakPolarHBondContact O-CB 3.43Å; L657-F661 PolarHBondContact O-N 2.93Å; L657-V680 HydrophobicContact CB-CG1 4.02Å; L657-V680 HydrophobicContact CD2-CG1 3.84Å; L657-V680 VanDerWaalsContact O-CG1 3.29Å; L657-V680 WeakPolarHBondContact O-CG1 3.03Å; L657-I683 HydrophobicContact CD1-CG2 3.77Å; L657-I683 HydrophobicContact CD2-CB 4.27Å; L657-I683 HydrophobicContact CD2-CG2 3.8Å; L657-I683 HydrophobicContact CG-CG2 4.47Å; L657-A684 HydrophobicContact CD1-CB 4.38Å; L657-L687 HydrophobicContact CD1-CD1 4.27Å
658	V	82.9	Confident	76.4	Confident	6 Å²	6	71 Å²	71	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-62.3	-43.6	174.6	170.9	0	0	0	0	110.9	M654 K655 M656 F661 R662 L709 M713	M654-V658 VanDerWaalsContact O-CG2 3.3Å; M654-V658 WeakPolarHBondContact O-CG2 3.32Å; M654-V658 PolarHBondContact O-N 2.96Å; K655-V658 PolarHBondContact O-N 2.82Å; M656-V658 VanDerWaalsContact C-N 3.35Å; M656-V658 PolarHBondContact O-N 2.86Å; V658-F661 PolarHBondContact O-N 3.19Å; V658-R662 WeakPolarHBondContact O-CG 3.31Å; V658-R662 PolarHBondContact O-N 2.95Å; V658-L709 HydrophobicContact CG2-CB 4.11Å; V658-L709 HydrophobicContact CG2-CD2 4.39Å; V658-L709 WeakPolarHBondContact CG2-O 3.34Å; V658-M713 HydrophobicContact CB-CG 4.44Å; V658-M713 HydrophobicContact CG2-CG 3.74Å; V658-M713 HydrophobicContact CG2-SD 3.98Å
659	E	82	Confident	75.4	Confident	93 Å²	93	76.9 Å²	76.9	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-70	-40.7	-179.7	-164.5	62.3	-166.3	0	0	112.1	K655 M656 F661 R662 L663	K655-E659 PolarHBondContact O-N 3.41Å; M656-E659 PolarHBondContact O-N 3.25Å; E659-F661 VanDerWaalsContact C-N 3.29Å; E659-F661 PolarHBondContact O-N 3.39Å; E659-R662 PolarHBondContact O-N 3.2Å; E659-R662 IonicContact OE2-NH1 3.98Å; E659-R662 PolarHBondContact OE2-NH1 3.39Å; E659-L663 WeakPolarHBondContact O-CG 3.4Å; E659-L663 PolarHBondContact O-N 3.45Å
660	E	79.8	Confident	74.6	Confident	83 Å²	83	76.7 Å²	76.7	39%	0.388	37%	0.371	S	S	.	.	H	α-helix	trans	-59.9	-41.7	171.9	-172.6	177.6	-170.9	0	0	111	M656 L663 L664 V680	M656-E660 WeakPolarHBondContact O-CB 3.35Å; M656-E660 PolarHBondContact O-N 3.1Å; E660-L663 PolarHBondContact O-N 2.91Å; E660-L664 HydrophobicContact CG-CD1 4.23Å; E660-L664 WeakPolarHBondContact O-CB 3.23Å; E660-L664 VanDerWaalsContact O-CG 3.23Å; E660-L664 WeakPolarHBondContact O-CG 3.38Å; E660-L664 PolarHBondContact O-N 3.4Å; E660-V680 HydrophobicContact CG-CG2 4.34Å
661	F	82.4	Confident	73.6	Confident	13 Å²	13	85.5 Å²	85.5	6%	0.057	41%	0.41	C	S	.	.	H	α-helix	trans	-63.8	-40.2	175.8	-176.9	-100.8	0	0	0	112.8	L657 V658 E659 L664 Q665 V680 K681 M713	L657-F661 VanDerWaalsContact O-CB 3.28Å; L657-F661 WeakPolarHBondContact O-CB 3.43Å; L657-F661 PolarHBondContact O-N 2.93Å; V658-F661 PolarHBondContact O-N 3.19Å; E659-F661 VanDerWaalsContact C-N 3.29Å; E659-F661 PolarHBondContact O-N 3.39Å; F661-L664 PolarHBondContact O-N 2.81Å; F661-Q665 HydrophobicContact CD1-CG 4.47Å; F661-Q665 HydrophobicContact CE1-CG 4.03Å; F661-Q665 HydrophobicContact CZ-CG 4.14Å; F661-Q665 PolarHBondContact O-N 2.97Å; F661-V680 HydrophobicContact CB-CG1 4.16Å; F661-K681 HydrophobicContact CD2-CG 4.25Å; F661-K681 HydrophobicContact CE2-CD 4.17Å; F661-K681 HydrophobicContact CE2-CG 3.89Å; F661-K681 HydrophobicContact CZ-CD 4.37Å; F661-K681 HydrophobicContact CZ-CG 4.43Å; F661-M713 HydrophobicContact CB-CE 3.6Å; F661-M713 HydrophobicContact CD1-CB 3.99Å; F661-M713 HydrophobicContact CD1-CG 4.24Å; F661-M713 HydrophobicContact CD2-CE 4.11Å; F661-M713 HydrophobicContact CE1-CB 4.2Å; F661-M713 WeakPolarHBondContact CE1-O 3.46Å; F661-M713 HydrophobicContact CG-CB 4.37Å; F661-M713 HydrophobicContact CG-CE 3.83Å; F661-M713 HydrophobicContact CG-CG 4.43Å; F661-M713 VanDerWaalsContact CZ-O 3.29Å; F661-M713 WeakPolarHBondContact CZ-O 3.35Å
662	R	82.5	Confident	72.5	Confident	132 Å²	132	88.8 Å²	88.8	50%	0.498	44%	0.435	S	S	.	.	H	α-helix	trans	-63.3	-46.4	173.8	-75	176.8	-179.7	162.8	-2.3	112.2	V658 E659 L664 Q665 D666	V658-R662 WeakPolarHBondContact O-CG 3.31Å; V658-R662 PolarHBondContact O-N 2.95Å; E659-R662 PolarHBondContact O-N 3.2Å; E659-R662 IonicContact OE2-NH1 3.98Å; E659-R662 PolarHBondContact OE2-NH1 3.39Å; R662-L664 PolarHBondContact O-N 3.3Å; R662-Q665 WeakPolarHBondContact O-CB 3.39Å; R662-Q665 PolarHBondContact O-N 3.24Å; R662-D666 PolarHBondContact O-N 3.43Å
663	L	77.9	Confident	71.3	Confident	89 Å²	89	86 Å²	86	47%	0.466	42%	0.417	S	S	.	.	H	α-helix	trans	-61.4	-34.7	176.5	-71.5	171.6	0	0	0	112.1	E659 E660 R667	E659-L663 WeakPolarHBondContact O-CG 3.4Å; E659-L663 PolarHBondContact O-N 3.45Å; E660-L663 PolarHBondContact O-N 2.91Å; L663-R667 WeakPolarHBondContact O-CB 3.38Å; L663-R667 VanDerWaalsContact O-CG 3.31Å; L663-R667 WeakPolarHBondContact O-CG 3.46Å; L663-R667 PolarHBondContact O-N 3.15Å
664	L	74.9	Confident	70.4	Confident	33 Å²	33	87.2 Å²	87.2	17%	0.173	43%	0.43	C	S	.	.	H	α-helix	trans	-72	-33.2	173.9	-71.7	171.2	0	0	0	112.4	E660 F661 R662 Q668 V680	E660-L664 HydrophobicContact CG-CD1 4.23Å; E660-L664 WeakPolarHBondContact O-CB 3.23Å; E660-L664 VanDerWaalsContact O-CG 3.23Å; E660-L664 WeakPolarHBondContact O-CG 3.38Å; E660-L664 PolarHBondContact O-N 3.4Å; F661-L664 PolarHBondContact O-N 2.81Å; R662-L664 PolarHBondContact O-N 3.3Å; L664-Q668 VanDerWaalsContact O-CB 3.25Å; L664-Q668 WeakPolarHBondContact O-CB 3.45Å; L664-Q668 WeakPolarHBondContact O-CG 3.44Å; L664-V680 HydrophobicContact CD1-CG2 3.75Å
665	Q	73.2	Confident	69.3	Low	118 Å²	118	94 Å²	94	55%	0.551	46%	0.46	S	S	*	.	H	α-helix	trans	-67.4	-46.1	172.8	-78.9	-170.7	-21	0	0	112	F661 R662 R667 Q668	F661-Q665 HydrophobicContact CD1-CG 4.47Å; F661-Q665 HydrophobicContact CE1-CG 4.03Å; F661-Q665 HydrophobicContact CZ-CG 4.14Å; F661-Q665 PolarHBondContact O-N 2.97Å; R662-Q665 WeakPolarHBondContact O-CB 3.39Å; R662-Q665 PolarHBondContact O-N 3.24Å; Q665-R667 PolarHBondContact O-N 2.93Å; Q665-Q668 PolarHBondContact O-N 3.35Å
666	D	69.9	Low	68.5	Low	147 Å²	147	90.1 Å²	90.1	79%	0.786	45%	0.448	S	S	*	.	H	α-helix	trans	-65.7	-25.8	-178.8	-78.8	-8.5	0	0	0	113.1	R662	R662-D666 PolarHBondContact O-N 3.43Å
667	R	62	Low	68.2	Low	203 Å²	203	84.4 Å²	84.4	77%	0.766	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-3.3	-178.2	-75.5	-177.2	176.6	-171.3	1.2	114.9	L663 Q665	L663-R667 WeakPolarHBondContact O-CB 3.38Å; L663-R667 VanDerWaalsContact O-CG 3.31Å; L663-R667 WeakPolarHBondContact O-CG 3.46Å; L663-R667 PolarHBondContact O-N 3.15Å; Q665-R667 PolarHBondContact O-N 2.93Å
668	Q	53.9	Low	68	Low	67 Å²	67	93.4 Å²	93.4	31%	0.313	46%	0.455	S	S	.	.			trans	-127.8	84	-159.7	-72.6	-84.1	-27	0	0	115	L664 Q665 G670 G673	L664-Q668 VanDerWaalsContact O-CB 3.25Å; L664-Q668 WeakPolarHBondContact O-CB 3.45Å; L664-Q668 WeakPolarHBondContact O-CG 3.44Å; Q665-Q668 PolarHBondContact O-N 3.35Å; Q668-G670 PolarHBondContact O-N 3.18Å; Q668-G670 VanDerWaalsContact OE1-C 3.25Å; Q668-G670 PolarHBondContact OE1-O 2.87Å; Q668-G673 VanDerWaalsContact NE2-CA 3.25Å
669	E	50.4	Low	67.8	Low	214 Å²	214	98.2 Å²	98.2	100%	1	48%	0.477	S	S	*	.	S	Bend	trans	-81.6	38.9	143.7	-68.5	-168.6	149.6	0	0	111.4
670	G	56.3	Low	67.6	Low	40 Å²	40	94 Å²	94	41%	0.412	46%	0.458	S	S	.	.	S	Bend	trans	-145.2	157.2	-171.2	0	0	0	0	0	116.2	Q668 S672	Q668-G670 PolarHBondContact O-N 3.18Å; Q668-G670 VanDerWaalsContact OE1-C 3.25Å; Q668-G670 PolarHBondContact OE1-O 2.87Å; G670-S672 VanDerWaalsContact C-N 3.25Å; G670-S672 PolarHBondContact O-N 3.26Å
671	F	53.3	Low	67.8	Low	191 Å²	191	93.4 Å²	93.4	84%	0.838	45%	0.454	S	S	*	.	H	α-helix	trans	-71.8	-16.3	-178.7	-136.9	-95.8	0	0	0	113.6
672	S	55.1	Low	67.7	Low	92 Å²	92	98 Å²	98	64%	0.643	48%	0.476	S	S	*	.	H	α-helix	trans	-79.4	-40.8	-170.8	165.8	0	0	0	0	113.5	G670 K675 S676	G670-S672 VanDerWaalsContact C-N 3.25Å; G670-S672 PolarHBondContact O-N 3.26Å; S672-K675 WeakPolarHBondContact O-CB 3.39Å; S672-K675 PolarHBondContact O-N 3.42Å; S672-S676 PolarHBondContact O-N 3.02Å
673	G	55.1	Low	67.5	Low	6 Å²	6	93.1 Å²	93.1	6%	0.062	46%	0.459	C	S	.	.	H	α-helix	trans	-94.1	-8.1	-179.4	0	0	0	0	0	113.3	Q668 K675 S676 G677	Q668-G673 VanDerWaalsContact NE2-CA 3.25Å; G673-K675 PolarHBondContact O-N 3.06Å; G673-S676 PolarHBondContact O-N 3.43Å; G673-G677 PolarHBondContact O-N 3.19Å
674	A	59.2	Low	67.7	Low	55 Å²	55	88.9 Å²	88.9	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-59.2	-34.2	156.7	0	0	0	0	0	111.7	R678	A674-R678 WeakPolarHBondContact O-CG 3.36Å; A674-R678 PolarHBondContact O-N 3.3Å
675	K	61	Low	68.1	Low	142 Å²	142	91.6 Å²	91.6	62%	0.617	45%	0.447	S	S	*	.	H	α-helix	trans	-72.8	-48.7	172.3	-72.2	-174.1	177	-178.8	0	111.6	S672 G673 G677 R678 E679	S672-K675 WeakPolarHBondContact O-CB 3.39Å; S672-K675 PolarHBondContact O-N 3.42Å; G673-K675 PolarHBondContact O-N 3.06Å; K675-G677 VanDerWaalsContact C-N 3.31Å; K675-G677 PolarHBondContact O-N 3.36Å; K675-R678 PolarHBondContact O-N 2.95Å; K675-R678 VanDerWaalsContact O-N 3.14Å; K675-E679 PolarHBondContact O-N 3.35Å; K675-E679 VanDerWaalsContact O-N 3.15Å
676	S	65	Low	68.4	Low	38 Å²	38	88.4 Å²	88.4	27%	0.266	44%	0.436	S	S	.	.	H	α-helix	trans	-58.1	-43.1	178.8	-153.9	0	0	0	0	111.8	S672 G673 R678 E679 V680	S672-S676 PolarHBondContact O-N 3.02Å; G673-S676 PolarHBondContact O-N 3.43Å; S676-R678 VanDerWaalsContact C-N 3.35Å; S676-R678 PolarHBondContact O-N 2.86Å; S676-E679 WeakPolarHBondContact O-CB 3.31Å; S676-E679 PolarHBondContact O-N 2.94Å; S676-E679 VanDerWaalsContact O-N 3.16Å; S676-V680 WeakPolarHBondContact O-CG2 3.4Å; S676-V680 PolarHBondContact O-N 3.1Å; S676-V680 VanDerWaalsContact O-N 3.1Å
677	G	74.7	Confident	68.8	Low	7 Å²	7	81.5 Å²	81.5	7%	0.072	40%	0.399	C	S	.	.	H	α-helix	trans	-64.7	-33.9	177.8	0	0	0	0	0	113.8	G673 K675 K681	G673-G677 PolarHBondContact O-N 3.19Å; K675-G677 VanDerWaalsContact C-N 3.31Å; K675-G677 PolarHBondContact O-N 3.36Å; G677-K681 WeakPolarHBondContact O-CG 3.49Å; G677-K681 PolarHBondContact O-N 3.36Å; G677-K681 VanDerWaalsContact O-N 3.13Å
678	R	77.4	Confident	69.7	Low	192 Å²	192	73 Å²	73	73%	0.725	37%	0.37	S	S	*	.	H	α-helix	trans	-66.4	-39.2	172.6	-75.8	-178.3	-169.5	179.2	3.4	111.8	A674 K675 S676 K681 E682	A674-R678 WeakPolarHBondContact O-CG 3.36Å; A674-R678 PolarHBondContact O-N 3.3Å; K675-R678 PolarHBondContact O-N 2.95Å; K675-R678 VanDerWaalsContact O-N 3.14Å; S676-R678 VanDerWaalsContact C-N 3.35Å; S676-R678 PolarHBondContact O-N 2.86Å; R678-K681 PolarHBondContact O-N 2.94Å; R678-E682 PolarHBondContact O-N 2.95Å
679	E	76.8	Confident	71	Confident	107 Å²	107	75.4 Å²	75.4	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-62.5	-46.6	177.5	-68	175.2	179.9	0	0	110.9	K675 S676 K681 E682 I683	K675-E679 PolarHBondContact O-N 3.35Å; K675-E679 VanDerWaalsContact O-N 3.15Å; S676-E679 WeakPolarHBondContact O-CB 3.31Å; S676-E679 PolarHBondContact O-N 2.94Å; S676-E679 VanDerWaalsContact O-N 3.16Å; E679-K681 VanDerWaalsContact C-N 3.34Å; E679-K681 PolarHBondContact O-N 2.76Å; E679-E682 PolarHBondContact O-N 3.07Å; E679-E682 VanDerWaalsContact O-N 3.16Å; E679-I683 WeakPolarHBondContact O-CG1 3.07Å; E679-I683 PolarHBondContact O-N 3.09Å
680	V	79.4	Confident	71.9	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.03	34%	0.341	C	S	.	.	H	α-helix	trans	-61.9	-39.9	177.2	-171	0	0	0	0	111.5	L657 E660 F661 L664 S676 E682 I683 A684 M713	L657-V680 HydrophobicContact CB-CG1 4.02Å; L657-V680 HydrophobicContact CD2-CG1 3.84Å; L657-V680 VanDerWaalsContact O-CG1 3.29Å; L657-V680 WeakPolarHBondContact O-CG1 3.03Å; E660-V680 HydrophobicContact CG-CG2 4.34Å; F661-V680 HydrophobicContact CB-CG1 4.16Å; L664-V680 HydrophobicContact CD1-CG2 3.75Å; S676-V680 WeakPolarHBondContact O-CG2 3.4Å; S676-V680 PolarHBondContact O-N 3.1Å; S676-V680 VanDerWaalsContact O-N 3.1Å; V680-E682 PolarHBondContact O-N 2.8Å; V680-I683 PolarHBondContact O-N 2.79Å; V680-A684 PolarHBondContact O-N 3.23Å; V680-M713 HydrophobicContact CB-CE 4.2Å; V680-M713 HydrophobicContact CG1-CE 3.51Å
681	K	82.3	Confident	72.7	Confident	71 Å²	71	65.4 Å²	65.4	31%	0.309	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-41	174.3	-74	-170.6	-170.8	-151.7	0	112.8	F661 G677 R678 E679 A684 K685 M713 I714	F661-K681 HydrophobicContact CD2-CG 4.25Å; F661-K681 HydrophobicContact CE2-CD 4.17Å; F661-K681 HydrophobicContact CE2-CG 3.89Å; F661-K681 HydrophobicContact CZ-CD 4.37Å; F661-K681 HydrophobicContact CZ-CG 4.43Å; G677-K681 WeakPolarHBondContact O-CG 3.49Å; G677-K681 PolarHBondContact O-N 3.36Å; G677-K681 VanDerWaalsContact O-N 3.13Å; R678-K681 PolarHBondContact O-N 2.94Å; E679-K681 VanDerWaalsContact C-N 3.34Å; E679-K681 PolarHBondContact O-N 2.76Å; K681-A684 PolarHBondContact O-N 3.08Å; K681-K685 WeakPolarHBondContact O-CB 3.42Å; K681-K685 PolarHBondContact O-N 3.26Å; K681-M713 WeakPolarHBondContact CE-O 3.47Å; K681-M713 HydrophobicContact CG-CB 4.41Å; K681-M713 HydrophobicContact CG-CE 4.34Å; K681-M713 PolarHBondContact NZ-O 3.12Å; K681-I714 PolarHBondContact NZ-O 3.08Å
682	E	81.7	Confident	73.6	Confident	108 Å²	108	58.7 Å²	58.7	51%	0.505	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-38.6	176.6	-73.8	-59.2	146.9	0	0	111.6	R678 E679 V680 A684 K685 V686	R678-E682 PolarHBondContact O-N 2.95Å; E679-E682 PolarHBondContact O-N 3.07Å; E679-E682 VanDerWaalsContact O-N 3.16Å; V680-E682 PolarHBondContact O-N 2.8Å; E682-A684 PolarHBondContact O-N 2.9Å; E682-K685 WeakPolarHBondContact O-CB 3.4Å; E682-K685 PolarHBondContact O-N 2.97Å; E682-V686 WeakPolarHBondContact O-CG2 3.28Å; E682-V686 PolarHBondContact O-N 3.34Å
683	I	78.2	Confident	74.3	Confident	30 Å²	30	58 Å²	58	15%	0.154	30%	0.302	C	S	.	.	H	α-helix	trans	-61.3	-46.2	174.5	-63.7	167.2	0	0	0	110.6	L613 L614 L657 E679 V680 K685 V686 L687	L613-I683 HydrophobicContact CB-CG2 4.17Å; L614-I683 HydrophobicContact CD2-CD1 4.26Å; L657-I683 HydrophobicContact CD1-CG2 3.77Å; L657-I683 HydrophobicContact CD2-CB 4.27Å; L657-I683 HydrophobicContact CD2-CG2 3.8Å; L657-I683 HydrophobicContact CG-CG2 4.47Å; E679-I683 WeakPolarHBondContact O-CG1 3.07Å; E679-I683 PolarHBondContact O-N 3.09Å; V680-I683 PolarHBondContact O-N 2.79Å; I683-K685 VanDerWaalsContact C-N 3.29Å; I683-K685 PolarHBondContact O-N 2.97Å; I683-V686 PolarHBondContact O-N 3.45Å; I683-L687 WeakPolarHBondContact O-CB 3.45Å; I683-L687 PolarHBondContact O-N 3.18Å
684	A	81.6	Confident	74.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.6	-39.6	176.2	0	0	0	0	0	112.2	M654 L657 V680 K681 E682 L687 V688 Q710 M713	M654-A684 HydrophobicContact CE-CB 4.08Å; M654-A684 HydrophobicContact SD-CB 3.73Å; L657-A684 HydrophobicContact CD1-CB 4.38Å; V680-A684 PolarHBondContact O-N 3.23Å; K681-A684 PolarHBondContact O-N 3.08Å; E682-A684 PolarHBondContact O-N 2.9Å; A684-L687 PolarHBondContact O-N 3.32Å; A684-V688 WeakPolarHBondContact O-CG2 3.45Å; A684-V688 PolarHBondContact O-N 3.42Å; A684-Q710 HydrophobicContact CB-CG 4.32Å; A684-M713 HydrophobicContact CB-CE 4.07Å; A684-M713 HydrophobicContact CB-SD 3.53Å; A684-M713 VanDerWaalsContact CB-SD 3.53Å
685	K	83.2	Confident	74.5	Confident	90 Å²	90	59.5 Å²	59.5	39%	0.391	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-43.2	175.7	-175.4	-178.3	173.9	-170.7	0	112.7	K681 E682 I683 L687 V688 Q689 Q710	K681-K685 WeakPolarHBondContact O-CB 3.42Å; K681-K685 PolarHBondContact O-N 3.26Å; E682-K685 WeakPolarHBondContact O-CB 3.4Å; E682-K685 PolarHBondContact O-N 2.97Å; I683-K685 VanDerWaalsContact C-N 3.29Å; I683-K685 PolarHBondContact O-N 2.97Å; K685-L687 VanDerWaalsContact C-N 3.29Å; K685-L687 PolarHBondContact O-N 3.35Å; K685-V688 PolarHBondContact O-N 3.48Å; K685-Q689 WeakPolarHBondContact O-CG 3.2Å; K685-Q689 PolarHBondContact O-N 2.96Å; K685-Q710 VanDerWaalsContact CA-NE2 3.26Å
686	V	80.1	Confident	74.3	Confident	52 Å²	52	62.1 Å²	62.1	32%	0.315	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-38.3	175.7	173.8	0	0	0	0	110.6	L613 E682 I683 Q689 Y690	L613-V686 HydrophobicContact CD2-CB 4.36Å; L613-V686 HydrophobicContact CD2-CG1 3.64Å; E682-V686 WeakPolarHBondContact O-CG2 3.28Å; E682-V686 PolarHBondContact O-N 3.34Å; I683-V686 PolarHBondContact O-N 3.45Å; V686-Q689 PolarHBondContact O-N 2.81Å; V686-Y690 WeakPolarHBondContact O-CB 3.28Å; V686-Y690 PolarHBondContact O-N 2.83Å
687	L	78.4	Confident	73.9	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-63.8	-40.7	177.1	-170.6	145.8	0	0	0	112.2	L613 L650 L653 M654 L657 I683 A684 K685 Y690 A691 L706	L613-L687 HydrophobicContact CD1-CD1 4.23Å; L650-L687 HydrophobicContact CD2-CD1 4.44Å; L650-L687 HydrophobicContact CD2-CD2 4.33Å; L650-L687 HydrophobicContact CD2-CG 4.2Å; L653-L687 HydrophobicContact CB-CD1 4.06Å; L653-L687 HydrophobicContact CD2-CD1 3.4Å; L653-L687 HydrophobicContact CG-CD1 3.59Å; M654-L687 HydrophobicContact CB-CD2 4.28Å; M654-L687 HydrophobicContact CE-CD2 3.97Å; L657-L687 HydrophobicContact CD1-CD1 4.27Å; I683-L687 WeakPolarHBondContact O-CB 3.45Å; I683-L687 PolarHBondContact O-N 3.18Å; A684-L687 PolarHBondContact O-N 3.32Å; K685-L687 VanDerWaalsContact C-N 3.29Å; K685-L687 PolarHBondContact O-N 3.35Å; L687-Y690 PolarHBondContact O-N 3.24Å; L687-A691 WeakPolarHBondContact O-CB 3.45Å; L687-A691 PolarHBondContact O-N 2.82Å; L687-L706 HydrophobicContact CD2-CD1 4.24Å; L687-L706 HydrophobicContact CD2-CD2 3.65Å
688	V	81.5	Confident	73.4	Confident	25 Å²	25	66.2 Å²	66.2	15%	0.152	33%	0.328	C	S	.	.	H	α-helix	trans	-67.6	-41.2	173.8	173.5	0	0	0	0	111.7	M654 A684 K685 Y690 A691 G692 L706 V707 Q710	M654-V688 HydrophobicContact CE-CG2 3.38Å; A684-V688 WeakPolarHBondContact O-CG2 3.45Å; A684-V688 PolarHBondContact O-N 3.42Å; K685-V688 PolarHBondContact O-N 3.48Å; V688-Y690 VanDerWaalsContact C-N 3.31Å; V688-Y690 PolarHBondContact O-N 2.96Å; V688-A691 PolarHBondContact O-N 3.44Å; V688-G692 PolarHBondContact O-N 3.34Å; V688-L706 HydrophobicContact CG2-CB 4.25Å; V688-V707 HydrophobicContact CG1-CG2 3.94Å; V688-Q710 HydrophobicContact CG2-CB 4.13Å; V688-Q710 HydrophobicContact CG2-CG 4.41Å
689	Q	79.5	Confident	73	Confident	118 Å²	118	59.2 Å²	59.2	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-61.1	-41.7	174.2	-74.5	178.7	-12.5	0	0	111.7	K685 V686 G692 S693	K685-Q689 WeakPolarHBondContact O-CG 3.2Å; K685-Q689 PolarHBondContact O-N 2.96Å; V686-Q689 PolarHBondContact O-N 2.81Å; Q689-G692 PolarHBondContact O-N 3.02Å; Q689-S693 WeakPolarHBondContact O-CB 3.41Å; Q689-S693 PolarHBondContact O-N 3.38Å
690	Y	71.2	Confident	72.7	Confident	42 Å²	42	58.5 Å²	58.5	17%	0.165	32%	0.315	C	S	.	.	H	α-helix	trans	-62.1	-50.5	175.5	177.8	-102	0	0	0	111.2	A632 L650 V686 L687 V688 G692 S693 I694	A632-Y690 WeakPolarHBondContact CB-OH 3.06Å; L650-Y690 HydrophobicContact CD2-CD1 4.26Å; L650-Y690 HydrophobicContact CD2-CE1 4.42Å; V686-Y690 WeakPolarHBondContact O-CB 3.28Å; V686-Y690 PolarHBondContact O-N 2.83Å; L687-Y690 PolarHBondContact O-N 3.24Å; V688-Y690 VanDerWaalsContact C-N 3.31Å; V688-Y690 PolarHBondContact O-N 2.96Å; Y690-G692 VanDerWaalsContact C-N 3.27Å; Y690-G692 PolarHBondContact O-N 2.68Å; Y690-S693 PolarHBondContact O-N 3.43Å; Y690-S693 PolarHBondContact O-OG 3.29Å; Y690-I694 HydrophobicContact CD1-CD1 4.26Å; Y690-I694 HydrophobicContact CE1-CD1 3.81Å; Y690-I694 PolarHBondContact O-N 2.97Å
691	A	72.8	Confident	72.6	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.008	35%	0.345	C	S	.	.	H	α-helix	trans	-58.5	-38.7	175.8	0	0	0	0	0	112.2	L650 L687 V688 I694 L698 L706	L650-A691 HydrophobicContact CD1-CB 4.38Å; L687-A691 WeakPolarHBondContact O-CB 3.45Å; L687-A691 PolarHBondContact O-N 2.82Å; V688-A691 PolarHBondContact O-N 3.44Å; A691-I694 PolarHBondContact O-N 2.91Å; A691-L698 HydrophobicContact CB-CD2 4.44Å; A691-L706 HydrophobicContact CB-CD1 3.59Å
692	G	71.4	Confident	72.2	Confident	51 Å²	51	60.9 Å²	60.9	53%	0.526	33%	0.331	S	S	.	.	H	α-helix	trans	-71.9	-25.9	176	0	0	0	0	0	114.2	V688 Q689 Y690 I694	V688-G692 PolarHBondContact O-N 3.34Å; Q689-G692 PolarHBondContact O-N 3.02Å; Y690-G692 VanDerWaalsContact C-N 3.27Å; Y690-G692 PolarHBondContact O-N 2.68Å; G692-I694 PolarHBondContact O-N 3.44Å
693	S	70.3	Confident	72.1	Confident	76 Å²	76	58.5 Å²	58.5	53%	0.531	32%	0.322	S	S	.	.	H	α-helix	trans	-75.5	-9.8	176.9	74.9	0	0	0	0	113.7	Q689 Y690 P695	Q689-S693 WeakPolarHBondContact O-CB 3.41Å; Q689-S693 PolarHBondContact O-N 3.38Å; Y690-S693 PolarHBondContact O-N 3.43Å; Y690-S693 PolarHBondContact O-OG 3.29Å; S693-P695 WeakPolarHBondContact O-CD 3.25Å
694	I	65.1	Low	72.3	Confident	10 Å²	10	59.7 Å²	59.7	5%	0.051	33%	0.333	C	S	.	.	S	Bend	trans	-92	92.8	176.9	-58.7	166.2	0	0	0	108.3	Y636 L646 Y690 A691 G692 R697 L698	Y636-I694 HydrophobicContact CD1-CG2 4.3Å; Y636-I694 HydrophobicContact CE1-CG2 4.39Å; L646-I694 HydrophobicContact CD2-CD1 4.2Å; Y690-I694 HydrophobicContact CD1-CD1 4.26Å; Y690-I694 HydrophobicContact CE1-CD1 3.81Å; Y690-I694 PolarHBondContact O-N 2.97Å; A691-I694 PolarHBondContact O-N 2.91Å; G692-I694 PolarHBondContact O-N 3.44Å; I694-R697 HydrophobicContact CG2-CB 4.04Å; I694-L698 HydrophobicContact CB-CD1 3.78Å; I694-L698 HydrophobicContact CD1-CD1 3.68Å; I694-L698 HydrophobicContact CG1-CD1 4.31Å; I694-L698 HydrophobicContact CG2-CD1 3.92Å
695	P	53.6	Low	72.4	Confident	83 Å²	83	61.4 Å²	61.4	54%	0.539	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	136.6	-165	-11.4	30.7	0	0	0	111.7	S693 R697	S693-P695 WeakPolarHBondContact O-CD 3.25Å; P695-R697 VanDerWaalsContact C-N 3.27Å; P695-R697 WeakPolarHBondContact O-CB 3.29Å; P695-R697 PolarHBondContact O-N 3.29Å
696	H	56.8	Low	72.5	Confident	198 Å²	198	57.2 Å²	57.2	92%	0.917	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	23.1	170.7	-59.2	-68	0	0	0	116.9
697	R	56.2	Low	72.7	Confident	116 Å²	116	57.6 Å²	57.6	44%	0.438	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-39.7	-161	-98	-168.7	-155.7	-120.3	12.8	114.4	Y636 T637 I694 P695	Y636-R697 HydrophobicContact CD1-CB 4.08Å; Y636-R697 HydrophobicContact CD1-CG 4.37Å; Y636-R697 HydrophobicContact CE1-CB 3.37Å; Y636-R697 HydrophobicContact CE1-CG 3.87Å; Y636-R697 PolarHBondContact OH-O 3.03Å; T637-R697 PolarHBondContact O-NH1 3.29Å; I694-R697 HydrophobicContact CG2-CB 4.04Å; P695-R697 VanDerWaalsContact C-N 3.27Å; P695-R697 WeakPolarHBondContact O-CB 3.29Å; P695-R697 PolarHBondContact O-N 3.29Å
698	L	64.3	Low	73.1	Confident	14 Å²	14	63.7 Å²	63.7	7%	0.073	36%	0.357	C	S	.	.	S	Bend	trans	-68.5	148.5	164.4	-93	106.5	0	0	0	111.8	Y636 N647 L650 A691 I694 A702 I703	Y636-L698 PolarHBondContact OH-N 3.42Å; N647-L698 WeakPolarHBondContact OD1-CD2 3.5Å; N647-L698 WeakPolarHBondContact OD1-CG 3.41Å; L650-L698 HydrophobicContact CD1-CD1 4.4Å; L650-L698 HydrophobicContact CD1-CD2 3.88Å; A691-L698 HydrophobicContact CB-CD2 4.44Å; I694-L698 HydrophobicContact CB-CD1 3.78Å; I694-L698 HydrophobicContact CD1-CD1 3.68Å; I694-L698 HydrophobicContact CG1-CD1 4.31Å; I694-L698 HydrophobicContact CG2-CD1 3.92Å; L698-A702 HydrophobicContact CD2-CB 4.06Å; L698-I703 HydrophobicContact CB-CD1 4Å; L698-I703 HydrophobicContact CB-CG1 3.91Å; L698-I703 HydrophobicContact CD2-CG1 4.38Å
699	S	68.8	Low	73.3	Confident	46 Å²	46	64 Å²	64	32%	0.322	36%	0.357	S	S	.	.			trans	-63.3	140.7	173	66.4	0	0	0	0	109.8	D701 A702 I703	S699-D701 PolarHBondContact O-N 3.24Å; S699-D701 VanDerWaalsContact O-N 3.14Å; S699-A702 PolarHBondContact O-N 3.48Å; S699-A702 WeakPolarHBondContact OG-CB 3.31Å; S699-A702 PolarHBondContact OG-N 2.68Å; S699-A702 VanDerWaalsContact OG-N 3.1Å; S699-I703 PolarHBondContact O-N 3.29Å
700	S	70.2	Confident	73.5	Confident	92 Å²	92	60.3 Å²	60.3	64%	0.643	34%	0.34	S	S	*	.	H	α-helix	trans	-52.4	-35.7	174.2	49.2	0	0	0	0	111.5	S704	S700-S704 VanDerWaalsContact O-CB 3.3Å; S700-S704 WeakPolarHBondContact O-CB 3.47Å; S700-S704 PolarHBondContact O-N 2.99Å
701	D	77.2	Confident	74.1	Confident	123 Å²	123	62.1 Å²	62.1	66%	0.658	36%	0.355	S	S	*	.	H	α-helix	trans	-68.5	-39.4	-179	-59.1	-9.3	0	0	0	111.4	S699 S704 C705	S699-D701 PolarHBondContact O-N 3.24Å; S699-D701 VanDerWaalsContact O-N 3.14Å; D701-S704 PolarHBondContact O-N 3.38Å; D701-C705 VanDerWaalsContact O-CB 3.23Å; D701-C705 WeakPolarHBondContact O-CB 3.33Å; D701-C705 PolarHBondContact O-N 3.41Å
702	A	75.1	Confident	74.6	Confident	2 Å²	2	65.1 Å²	65.1	2%	0.017	38%	0.376	C	S	.	.	H	α-helix	trans	-67.1	-45	176.2	0	0	0	0	0	111.9	N647 I651 L698 S699 S704 C705 L706	N647-A702 HydrophobicContact CB-CB 4.14Å; I651-A702 HydrophobicContact CD1-CB 4.08Å; L698-A702 HydrophobicContact CD2-CB 4.06Å; S699-A702 PolarHBondContact O-N 3.48Å; S699-A702 WeakPolarHBondContact OG-CB 3.31Å; S699-A702 PolarHBondContact OG-N 2.68Å; S699-A702 VanDerWaalsContact OG-N 3.1Å; A702-S704 VanDerWaalsContact C-N 3.34Å; A702-S704 PolarHBondContact O-N 3.12Å; A702-C705 PolarHBondContact O-N 3.42Å; A702-L706 WeakPolarHBondContact O-CB 3.31Å; A702-L706 VanDerWaalsContact O-CG 3.25Å; A702-L706 WeakPolarHBondContact O-CG 2.94Å; A702-L706 PolarHBondContact O-N 2.89Å
703	I	78.7	Confident	74.9	Confident	59 Å²	59	62.8 Å²	62.8	30%	0.303	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-44.2	176.7	-61.6	175.1	0	0	0	110.2	L698 S699 C705 L706 V707	L698-I703 HydrophobicContact CB-CD1 4Å; L698-I703 HydrophobicContact CB-CG1 3.91Å; L698-I703 HydrophobicContact CD2-CG1 4.38Å; S699-I703 PolarHBondContact O-N 3.29Å; I703-C705 PolarHBondContact O-N 2.96Å; I703-L706 PolarHBondContact O-N 3.04Å; I703-V707 HydrophobicContact CG2-CG2 4.49Å; I703-V707 WeakPolarHBondContact O-CG2 3.5Å; I703-V707 PolarHBondContact O-N 3.14Å
704	S	82.6	Confident	74.9	Confident	55 Å²	55	67 Å²	67	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-58.9	-46.1	175.4	-173.9	0	0	0	0	111.7	S700 D701 A702 V707 Q708	S700-S704 VanDerWaalsContact O-CB 3.3Å; S700-S704 WeakPolarHBondContact O-CB 3.47Å; S700-S704 PolarHBondContact O-N 2.99Å; D701-S704 PolarHBondContact O-N 3.38Å; A702-S704 VanDerWaalsContact C-N 3.34Å; A702-S704 PolarHBondContact O-N 3.12Å; S704-V707 PolarHBondContact O-N 3.09Å; S704-Q708 WeakPolarHBondContact O-CB 3.47Å; S704-Q708 VanDerWaalsContact O-CG 3.27Å; S704-Q708 WeakPolarHBondContact O-CG 3.43Å; S704-Q708 PolarHBondContact O-N 3.06Å
705	C	84.1	Confident	75.4	Confident	36 Å²	36	69.9 Å²	69.9	24%	0.243	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-43.4	177.5	-172.9	0	0	0	0	112.1	D701 A702 I703 Q708 L709	D701-C705 VanDerWaalsContact O-CB 3.23Å; D701-C705 WeakPolarHBondContact O-CB 3.33Å; D701-C705 PolarHBondContact O-N 3.41Å; A702-C705 PolarHBondContact O-N 3.42Å; I703-C705 PolarHBondContact O-N 2.96Å; C705-Q708 PolarHBondContact O-N 3.32Å; C705-L709 WeakPolarHBondContact O-CB 3.39Å; C705-L709 VanDerWaalsContact O-CG 3.29Å; C705-L709 WeakPolarHBondContact O-CG 3.49Å; C705-L709 PolarHBondContact O-N 2.97Å
706	L	84.1	Confident	76.5	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-45.5	176	-71.5	174.5	0	0	0	111.6	L650 I651 M654 L687 V688 A691 A702 I703 L709 Q710	L650-L706 HydrophobicContact CB-CD1 4.16Å; L650-L706 HydrophobicContact CB-CD2 4.35Å; L650-L706 WeakPolarHBondContact O-CD2 3.14Å; I651-L706 HydrophobicContact CG1-CD2 4.31Å; I651-L706 HydrophobicContact CG1-CG 4.47Å; M654-L706 HydrophobicContact CB-CD2 3.52Å; M654-L706 HydrophobicContact CE-CB 4.49Å; M654-L706 HydrophobicContact CE-CD2 4.4Å; M654-L706 WeakPolarHBondContact CE-O 3.49Å; M654-L706 HydrophobicContact CG-CD2 3.97Å; L687-L706 HydrophobicContact CD2-CD1 4.24Å; L687-L706 HydrophobicContact CD2-CD2 3.65Å; V688-L706 HydrophobicContact CG2-CB 4.25Å; A691-L706 HydrophobicContact CB-CD1 3.59Å; A702-L706 WeakPolarHBondContact O-CB 3.31Å; A702-L706 VanDerWaalsContact O-CG 3.25Å; A702-L706 WeakPolarHBondContact O-CG 2.94Å; A702-L706 PolarHBondContact O-N 2.89Å; I703-L706 PolarHBondContact O-N 3.04Å; L706-L709 PolarHBondContact O-N 2.97Å; L706-Q710 WeakPolarHBondContact O-CB 3.28Å; L706-Q710 PolarHBondContact O-N 3.49Å
707	V	84.4	Confident	77.6	Confident	60 Å²	60	62 Å²	62	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-42.9	176.5	173.6	0	0	0	0	110.9	V688 I703 S704 L709 Q710 V711	V688-V707 HydrophobicContact CG1-CG2 3.94Å; I703-V707 HydrophobicContact CG2-CG2 4.49Å; I703-V707 WeakPolarHBondContact O-CG2 3.5Å; I703-V707 PolarHBondContact O-N 3.14Å; S704-V707 PolarHBondContact O-N 3.09Å; V707-L709 PolarHBondContact O-N 3.29Å; V707-Q710 PolarHBondContact O-N 3.45Å; V707-V711 HydrophobicContact CG1-CG2 4.38Å; V707-V711 WeakPolarHBondContact O-CB 3.45Å; V707-V711 VanDerWaalsContact O-CG2 3.24Å; V707-V711 WeakPolarHBondContact O-CG2 3.47Å; V707-V711 PolarHBondContact O-N 3.17Å
708	Q	86.5	Confident	78.9	Confident	129 Å²	129	58.8 Å²	58.8	60%	0.603	34%	0.339	S	S	*	.	H	α-helix	trans	-60.7	-44.5	176.2	-75.5	175.6	-5.9	0	0	112.3	S704 C705 V711 S712	S704-Q708 WeakPolarHBondContact O-CB 3.47Å; S704-Q708 VanDerWaalsContact O-CG 3.27Å; S704-Q708 WeakPolarHBondContact O-CG 3.43Å; S704-Q708 PolarHBondContact O-N 3.06Å; C705-Q708 PolarHBondContact O-N 3.32Å; Q708-V711 PolarHBondContact O-N 3.36Å; Q708-S712 PolarHBondContact O-N 3.49Å
709	L	85.8	Confident	79.8	Confident	31 Å²	31	61.6 Å²	61.6	16%	0.162	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-41	176.6	-71.7	171.4	0	0	0	111.5	I651 M654 K655 V658 C705 L706 V707 V711 S712	I651-L709 HydrophobicContact CG2-CD1 4.4Å; M654-L709 HydrophobicContact CB-CD1 4.07Å; M654-L709 HydrophobicContact CG-CB 3.45Å; M654-L709 VanDerWaalsContact CG-CB 3.45Å; M654-L709 HydrophobicContact CG-CD1 3.8Å; M654-L709 HydrophobicContact CG-CG 4.28Å; K655-L709 HydrophobicContact CG-CD1 3.87Å; K655-L709 HydrophobicContact CG-CD2 4.37Å; V658-L709 HydrophobicContact CG2-CB 4.11Å; V658-L709 HydrophobicContact CG2-CD2 4.39Å; V658-L709 WeakPolarHBondContact CG2-O 3.34Å; C705-L709 WeakPolarHBondContact O-CB 3.39Å; C705-L709 VanDerWaalsContact O-CG 3.29Å; C705-L709 WeakPolarHBondContact O-CG 3.49Å; C705-L709 PolarHBondContact O-N 2.97Å; L706-L709 PolarHBondContact O-N 2.97Å; V707-L709 PolarHBondContact O-N 3.29Å; L709-V711 VanDerWaalsContact C-N 3.34Å; L709-V711 PolarHBondContact O-N 3.25Å; L709-S712 WeakPolarHBondContact O-CB 3.33Å; L709-S712 PolarHBondContact O-N 3.3Å; L709-S712 VanDerWaalsContact O-N 3.17Å; L709-S712 PolarHBondContact O-OG 3.38Å
710	Q	84	Confident	80.5	Confident	41 Å²	41	62.7 Å²	62.7	19%	0.192	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-44.4	174	-169.8	-167.9	5.6	0	0	111.6	M654 A684 K685 V688 L706 V707 S712 M713	M654-Q710 HydrophobicContact CE-CB 3.81Å; M654-Q710 HydrophobicContact CE-CG 4.42Å; A684-Q710 HydrophobicContact CB-CG 4.32Å; K685-Q710 VanDerWaalsContact CA-NE2 3.26Å; V688-Q710 HydrophobicContact CG2-CB 4.13Å; V688-Q710 HydrophobicContact CG2-CG 4.41Å; L706-Q710 WeakPolarHBondContact O-CB 3.28Å; L706-Q710 PolarHBondContact O-N 3.49Å; V707-Q710 PolarHBondContact O-N 3.45Å; Q710-S712 PolarHBondContact O-N 3.25Å; Q710-M713 WeakPolarHBondContact O-CB 3.4Å; Q710-M713 PolarHBondContact O-N 2.96Å; Q710-M713 VanDerWaalsContact O-N 3.09Å
711	V	84.6	Confident	81.3	Confident	80 Å²	80	60.6 Å²	60.6	49%	0.485	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-33.3	177.3	170.6	0	0	0	0	111	V707 Q708 L709 M713 I714	V707-V711 HydrophobicContact CG1-CG2 4.38Å; V707-V711 WeakPolarHBondContact O-CB 3.45Å; V707-V711 VanDerWaalsContact O-CG2 3.24Å; V707-V711 WeakPolarHBondContact O-CG2 3.47Å; V707-V711 PolarHBondContact O-N 3.17Å; Q708-V711 PolarHBondContact O-N 3.36Å; L709-V711 VanDerWaalsContact C-N 3.34Å; L709-V711 PolarHBondContact O-N 3.25Å; V711-M713 PolarHBondContact O-N 3.4Å; V711-I714 HydrophobicContact CG2-CD1 4.44Å; V711-I714 WeakPolarHBondContact O-CB 3.45Å; V711-I714 PolarHBondContact O-N 3.2Å
712	S	83.1	Confident	81.6	Confident	64 Å²	64	55.8 Å²	55.8	45%	0.448	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15	175.8	81	0	0	0	0	114.5	Q708 L709 Q710	Q708-S712 PolarHBondContact O-N 3.49Å; L709-S712 WeakPolarHBondContact O-CB 3.33Å; L709-S712 PolarHBondContact O-N 3.3Å; L709-S712 VanDerWaalsContact O-N 3.17Å; L709-S712 PolarHBondContact O-OG 3.38Å; Q710-S712 PolarHBondContact O-N 3.25Å
713	M	76.9	Confident	82.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-15.8	173.1	-57.6	171.5	72.5	0	0	112.5	V658 F661 V680 K681 A684 Q710 V711	V658-M713 HydrophobicContact CB-CG 4.44Å; V658-M713 HydrophobicContact CG2-CG 3.74Å; V658-M713 HydrophobicContact CG2-SD 3.98Å; F661-M713 HydrophobicContact CB-CE 3.6Å; F661-M713 HydrophobicContact CD1-CB 3.99Å; F661-M713 HydrophobicContact CD1-CG 4.24Å; F661-M713 HydrophobicContact CD2-CE 4.11Å; F661-M713 HydrophobicContact CE1-CB 4.2Å; F661-M713 WeakPolarHBondContact CE1-O 3.46Å; F661-M713 HydrophobicContact CG-CB 4.37Å; F661-M713 HydrophobicContact CG-CE 3.83Å; F661-M713 HydrophobicContact CG-CG 4.43Å; F661-M713 VanDerWaalsContact CZ-O 3.29Å; F661-M713 WeakPolarHBondContact CZ-O 3.35Å; V680-M713 HydrophobicContact CB-CE 4.2Å; V680-M713 HydrophobicContact CG1-CE 3.51Å; K681-M713 WeakPolarHBondContact CE-O 3.47Å; K681-M713 HydrophobicContact CG-CB 4.41Å; K681-M713 HydrophobicContact CG-CE 4.34Å; K681-M713 PolarHBondContact NZ-O 3.12Å; A684-M713 HydrophobicContact CB-CE 4.07Å; A684-M713 HydrophobicContact CB-SD 3.53Å; A684-M713 VanDerWaalsContact CB-SD 3.53Å; Q710-M713 WeakPolarHBondContact O-CB 3.4Å; Q710-M713 PolarHBondContact O-N 2.96Å; Q710-M713 VanDerWaalsContact O-N 3.09Å; V711-M713 PolarHBondContact O-N 3.4Å
714	I	70.6	Confident	82.4	Confident	165 Å²	165	60.4 Å²	60.4	85%	0.846	34%	0.34	S	S	*	.			trans	-68.8	0	-179.8	-63	179.3	0	0	0	108.5	K681 V711	K681-I714 PolarHBondContact NZ-O 3.08Å; V711-I714 HydrophobicContact CG2-CD1 4.44Å; V711-I714 WeakPolarHBondContact O-CB 3.45Å; V711-I714 PolarHBondContact O-N 3.2Å

Retrieved 714 of 714 residues in 705.8 ms (Link to these results)

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