A0A5K4F5T7_SCHMA Loading...

Zinc transporter ZIP11

AlphaFold DB , UniProt , Accession A0A5K4F5T7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 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	39.1	Very low	45	Very low	246 Å²	246	158 Å²	158	100%	1.212	78%	0.777	S	S	*	*				0	99.1	0	-111.1	157.2	152.6	0	0	107.8
2	S	40.6	Very low	45.7	Very low	126 Å²	126	155.2 Å²	155.2	88%	0.881	77%	0.768	S	S	*	*			trans	-94.4	109.7	-173.3	-164.8	0	0	0	0	109.7	K4	S2-K4 PolarHBondContact O-N 3.08Å
3	V	42.2	Very low	46.4	Very low	122 Å²	122	149.6 Å²	149.6	74%	0.739	75%	0.752	S	S	*	*			trans	-76.5	102.8	-179.1	178.2	0	0	0	0	108.6	Q5	V3-Q5 PolarHBondContact O-N 3.18Å; V3-Q5 VanDerWaalsContact O-N 3.08Å
4	K	43.5	Very low	47.2	Very low	196 Å²	196	148 Å²	148	85%	0.852	74%	0.743	S	S	*	*			trans	-68.6	99.2	176.2	-145.9	177.6	-165	-177	0	108.6	S2 R6	S2-K4 PolarHBondContact O-N 3.08Å; K4-R6 PolarHBondContact O-N 3.23Å; K4-R6 VanDerWaalsContact O-N 3.07Å
5	Q	45.2	Very low	47.9	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	73%	0.726	S	S	*	*			trans	-60.2	107.2	173.1	-70.8	-86.3	-29.5	0	0	109	V3 K7	V3-Q5 PolarHBondContact O-N 3.18Å; V3-Q5 VanDerWaalsContact O-N 3.08Å; Q5-K7 PolarHBondContact O-N 3.07Å
6	R	43.1	Very low	48.6	Very low	196 Å²	196	139.3 Å²	139.3	74%	0.74	70%	0.704	S	S	*	*			trans	-69.8	111.4	171.4	-85.3	-154	-76.3	-141.7	-2.9	108.6	K4 Y8	K4-R6 PolarHBondContact O-N 3.23Å; K4-R6 VanDerWaalsContact O-N 3.07Å; R6-Y8 HydrophobicContact CB-CE2 4.21Å; R6-Y8 VanDerWaalsContact O-CD2 3.24Å; R6-Y8 WeakPolarHBondContact O-CD2 3.24Å; R6-Y8 PolarHBondContact O-N 3.14Å; R6-Y8 VanDerWaalsContact O-N 3.14Å
7	K	45.3	Very low	49	Very low	196 Å²	196	137.4 Å²	137.4	85%	0.852	70%	0.695	S	S	*	*			trans	-71.7	98	172.9	-143.5	176.8	-170.4	-174.7	0	108.1	Q5	Q5-K7 PolarHBondContact O-N 3.07Å
8	Y	42.3	Very low	49.5	Very low	154 Å²	154	136 Å²	136	60%	0.604	69%	0.689	S	S	*	*			trans	-70.3	135.8	174.2	-72.5	-91.6	0	0	0	109.5	R6 I10	R6-Y8 HydrophobicContact CB-CE2 4.21Å; R6-Y8 VanDerWaalsContact O-CD2 3.24Å; R6-Y8 WeakPolarHBondContact O-CD2 3.24Å; R6-Y8 PolarHBondContact O-N 3.14Å; R6-Y8 VanDerWaalsContact O-N 3.14Å; Y8-I10 PolarHBondContact O-N 3.44Å
9	P	51.4	Low	49.9	Very low	112 Å²	112	138.1 Å²	138.1	73%	0.727	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	28.7	-171.8	32.9	-35.9	0	0	0	114.3	N11	P9-N11 VanDerWaalsContact C-N 3.28Å; P9-N11 PolarHBondContact O-N 2.96Å
10	I	53	Low	50.1	Low	116 Å²	116	137.3 Å²	137.3	60%	0.595	68%	0.681	S	S	*	*	H	α-helix	trans	-71.6	-25.6	-179.2	-56.4	-178.7	0	0	0	111.3	Y8 N12 C13 M14	Y8-I10 PolarHBondContact O-N 3.44Å; I10-N12 PolarHBondContact O-N 3.45Å; I10-C13 PolarHBondContact O-N 3.44Å; I10-M14 PolarHBondContact O-N 3.09Å
11	N	49.8	Very low	50.3	Low	100 Å²	100	139.9 Å²	139.9	54%	0.535	68%	0.684	S	S	.	*	H	α-helix	trans	-65.5	-33.7	-173.7	-64.8	2.8	0	0	0	113.4	P9 C13 M14 E15	P9-N11 VanDerWaalsContact C-N 3.28Å; P9-N11 PolarHBondContact O-N 2.96Å; N11-C13 PolarHBondContact O-N 3.33Å; N11-M14 PolarHBondContact O-N 3.4Å; N11-E15 WeakPolarHBondContact O-CB 3.44Å; N11-E15 WeakPolarHBondContact O-CG 3.29Å; N11-E15 PolarHBondContact O-N 3.33Å
12	N	53.1	Low	51.1	Low	124 Å²	124	131.5 Å²	131.5	66%	0.663	65%	0.649	S	S	*	*	H	α-helix	trans	-67.4	-38.2	-175.8	-77	4.2	0	0	0	112.7	I10 S16	I10-N12 PolarHBondContact O-N 3.45Å; N12-S16 WeakPolarHBondContact O-CB 3.39Å; N12-S16 PolarHBondContact O-N 3.36Å; N12-S16 VanDerWaalsContact O-N 3.09Å; N12-S16 PolarHBondContact O-OG 3.49Å
13	C	54	Low	51.6	Low	83 Å²	83	131.6 Å²	131.6	56%	0.561	64%	0.636	S	S	*	*	H	α-helix	trans	-75.5	-31.9	179.6	-174.6	0	0	0	0	112	I10 N11 S16 N17	I10-C13 PolarHBondContact O-N 3.44Å; N11-C13 PolarHBondContact O-N 3.33Å; C13-S16 WeakPolarHBondContact CA-OG 3.32Å; C13-S16 PolarHBondContact O-OG 2.86Å; C13-N17 PolarHBondContact O-N 3.23Å; C13-N17 PolarHBondContact O-ND2 2.96Å
14	M	58.4	Low	51.6	Low	127 Å²	127	131.9 Å²	131.9	63%	0.626	63%	0.633	S	S	*	*	H	α-helix	trans	-76.6	-40.5	177.6	-141.1	158.5	-163	0	0	111.3	I10 N11 S16 N17 I18	I10-M14 PolarHBondContact O-N 3.09Å; N11-M14 PolarHBondContact O-N 3.4Å; M14-S16 PolarHBondContact O-N 3.18Å; M14-N17 PolarHBondContact O-N 2.95Å; M14-I18 VanDerWaalsContact O-CG1 3.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.23Å; M14-I18 PolarHBondContact O-N 2.99Å
15	E	57.7	Low	51.6	Low	104 Å²	104	126.8 Å²	126.8	49%	0.486	62%	0.618	S	S	.	*	H	α-helix	trans	-64.4	-37.8	173.4	-77.3	-177.7	117.5	0	0	112.1	N11 I18 R19	N11-E15 WeakPolarHBondContact O-CB 3.44Å; N11-E15 WeakPolarHBondContact O-CG 3.29Å; N11-E15 PolarHBondContact O-N 3.33Å; E15-I18 PolarHBondContact O-N 2.89Å; E15-R19 WeakPolarHBondContact O-CG 3.48Å; E15-R19 PolarHBondContact O-N 3.5Å
16	S	58.7	Low	51.6	Low	53 Å²	53	124 Å²	124	37%	0.371	61%	0.613	S	S	.	*	H	α-helix	trans	-66.8	-38.5	175.4	64.4	0	0	0	0	112.4	N12 C13 M14 R19 H20	N12-S16 WeakPolarHBondContact O-CB 3.39Å; N12-S16 PolarHBondContact O-N 3.36Å; N12-S16 VanDerWaalsContact O-N 3.09Å; N12-S16 PolarHBondContact O-OG 3.49Å; C13-S16 WeakPolarHBondContact CA-OG 3.32Å; C13-S16 PolarHBondContact O-OG 2.86Å; M14-S16 PolarHBondContact O-N 3.18Å; S16-R19 PolarHBondContact O-N 3.39Å; S16-H20 WeakPolarHBondContact O-CB 3.46Å; S16-H20 PolarHBondContact O-N 2.98Å
17	N	56.2	Low	51.2	Low	106 Å²	106	123.5 Å²	123.5	57%	0.567	62%	0.619	S	S	*	*	H	α-helix	trans	-67.5	-36	175.3	-93.4	-41.9	0	0	0	112.6	C13 M14 R21	C13-N17 PolarHBondContact O-N 3.23Å; C13-N17 PolarHBondContact O-ND2 2.96Å; M14-N17 PolarHBondContact O-N 2.95Å; N17-R21 VanDerWaalsContact O-CB 3.23Å; N17-R21 WeakPolarHBondContact O-CB 3.47Å; N17-R21 PolarHBondContact O-N 3.48Å
18	I	57.1	Low	50.9	Low	113 Å²	113	117.8 Å²	117.8	58%	0.579	61%	0.608	S	S	*	*	H	α-helix	trans	-70.9	-40.6	176.4	-66.1	166.3	0	0	0	110.7	M14 E15 R21 S22	M14-I18 VanDerWaalsContact O-CG1 3.29Å; M14-I18 WeakPolarHBondContact O-CG1 3.23Å; M14-I18 PolarHBondContact O-N 2.99Å; E15-I18 PolarHBondContact O-N 2.89Å; I18-R21 PolarHBondContact O-N 3.37Å; I18-S22 WeakPolarHBondContact O-CB 3.44Å; I18-S22 PolarHBondContact O-N 3.03Å
19	R	58	Low	50.2	Low	175 Å²	175	120.4 Å²	120.4	66%	0.66	62%	0.619	S	S	*	*	H	α-helix	trans	-66.1	-45.5	175.7	-70.9	-160.3	-153.3	-149.2	6.7	112.6	E15 S16 R21 S22 E23	E15-R19 WeakPolarHBondContact O-CG 3.48Å; E15-R19 PolarHBondContact O-N 3.5Å; S16-R19 PolarHBondContact O-N 3.39Å; R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.18Å; R19-S22 PolarHBondContact O-N 2.99Å; R19-E23 PolarHBondContact O-N 2.64Å
20	H	52.7	Low	49.5	Very low	122 Å²	122	120.3 Å²	120.3	57%	0.565	62%	0.618	S	S	*	*	H	α-helix	trans	-62	-34.3	175.2	-94.4	-64.9	0	0	0	112.6	S16 N24	S16-H20 WeakPolarHBondContact O-CB 3.46Å; S16-H20 PolarHBondContact O-N 2.98Å; H20-N24 PolarHBondContact O-N 3.05Å
21	R	55.6	Low	48.6	Very low	193 Å²	193	120.1 Å²	120.1	73%	0.728	63%	0.627	S	S	*	*	H	α-helix	trans	-73.4	-35.5	175.9	-167.3	167.3	-176.5	-169.8	-0.1	112.5	N17 I18 R19 T25	N17-R21 VanDerWaalsContact O-CB 3.23Å; N17-R21 WeakPolarHBondContact O-CB 3.47Å; N17-R21 PolarHBondContact O-N 3.48Å; I18-R21 PolarHBondContact O-N 3.37Å; R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.18Å; R21-T25 WeakPolarHBondContact O-CB 3.37Å; R21-T25 PolarHBondContact O-N 3.33Å; R21-T25 PolarHBondContact O-OG1 3.17Å
22	S	55.2	Low	48.2	Very low	70 Å²	70	120.4 Å²	120.4	49%	0.49	64%	0.636	S	S	.	*	H	α-helix	trans	-67.3	-40.1	175.6	-169.2	0	0	0	0	111.9	I18 R19 T25 V26	I18-S22 WeakPolarHBondContact O-CB 3.44Å; I18-S22 PolarHBondContact O-N 3.03Å; R19-S22 PolarHBondContact O-N 2.99Å; S22-T25 PolarHBondContact O-N 3.39Å; S22-V26 WeakPolarHBondContact O-CG2 3.4Å; S22-V26 PolarHBondContact O-N 3.36Å
23	E	51	Low	47.5	Very low	127 Å²	127	119 Å²	119	59%	0.593	64%	0.637	S	S	*	*	H	α-helix	trans	-66.9	-40.3	176.7	-71.8	175.2	178.5	0	0	111.6	R19 T25	R19-E23 PolarHBondContact O-N 2.64Å; E23-T25 VanDerWaalsContact C-N 3.31Å; E23-T25 PolarHBondContact O-N 3.33Å
24	N	41.9	Very low	47	Very low	129 Å²	129	120.3 Å²	120.3	69%	0.69	65%	0.647	S	S	*	*	H	α-helix	trans	-71.5	-21.3	175.7	-81.1	-7.4	0	0	0	114.2	H20	H20-N24 PolarHBondContact O-N 3.05Å
25	T	43.5	Very low	46.2	Very low	88 Å²	88	121.6 Å²	121.6	54%	0.54	66%	0.655	S	S	.	*	H	α-helix	trans	-85.3	-26.3	-178	-54.7	0	0	0	0	112.4	R21 S22 E23	R21-T25 WeakPolarHBondContact O-CB 3.37Å; R21-T25 PolarHBondContact O-N 3.33Å; R21-T25 PolarHBondContact O-OG1 3.17Å; S22-T25 PolarHBondContact O-N 3.39Å; E23-T25 VanDerWaalsContact C-N 3.31Å; E23-T25 PolarHBondContact O-N 3.33Å
26	V	44.9	Very low	45.5	Very low	116 Å²	116	125.4 Å²	125.4	70%	0.703	67%	0.672	S	S	*	*	H	α-helix	trans	-83.2	-20.6	-174.7	176.1	0	0	0	0	112.9	S22	S22-V26 WeakPolarHBondContact O-CG2 3.4Å; S22-V26 PolarHBondContact O-N 3.36Å
27	Q	36.2	Very low	45	Very low	186 Å²	186	128.9 Å²	128.9	87%	0.869	69%	0.691	S	S	*	*	S	Bend	trans	-106.4	11.8	-169.1	-131.3	163.3	-9.4	0	0	116.1
28	A	38.8	Very low	44.6	Very low	75 Å²	75	130.6 Å²	130.6	62%	0.62	70%	0.7	S	S	*	*			trans	-124.3	55.7	177.3	0	0	0	0	0	112.6
29	Y	27.4	Very low	44.2	Very low	210 Å²	210	134.7 Å²	134.7	82%	0.824	71%	0.714	S	S	*	*			trans	-115.9	86.2	162.4	-92.6	-90.8	0	0	0	110	S31	Y29-S31 PolarHBondContact O-N 3.33Å
30	P	35.9	Very low	43.8	Very low	109 Å²	109	134.6 Å²	134.6	71%	0.708	72%	0.721	S	S	*	*			trans	-81.9	100.4	157.5	21	-7	0	0	0	108.5	S32	P30-S32 PolarHBondContact O-N 3.23Å
31	S	35.3	Very low	43.4	Very low	112 Å²	112	137.9 Å²	137.9	78%	0.783	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	101.5	164.6	149.8	0	0	0	0	109.8	Y29	Y29-S31 PolarHBondContact O-N 3.33Å
32	S	39.7	Very low	43	Very low	106 Å²	106	135 Å²	135	74%	0.741	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	162.6	6.9	147.2	58.7	0	0	0	0	115.8	P30 S34	P30-S32 PolarHBondContact O-N 3.23Å; S32-S34 VanDerWaalsContact C-N 3.34Å; S32-S34 PolarHBondContact O-N 3.43Å
33	S	39.8	Very low	42.5	Very low	96 Å²	96	139.8 Å²	139.8	67%	0.671	75%	0.747	S	S	*	*			trans	-88.9	16.9	177.2	57	0	0	0	0	115.3	I35	S33-I35 PolarHBondContact O-N 3.02Å
34	S	43.1	Very low	42.5	Very low	110 Å²	110	142 Å²	142	77%	0.769	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	22.3	179.9	58.1	0	0	0	0	115.1	S32	S32-S34 VanDerWaalsContact C-N 3.34Å; S32-S34 PolarHBondContact O-N 3.43Å
35	I	42.3	Very low	43.1	Very low	154 Å²	154	141 Å²	141	79%	0.79	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	-7.3	-179.9	-60.6	-177.7	0	0	0	113.7	S33	S33-I35 PolarHBondContact O-N 3.02Å
36	E	42	Very low	43.8	Very low	183 Å²	183	146 Å²	146	86%	0.855	77%	0.77	S	S	*	*	S	Bend	trans	-107.6	1.5	178.8	-83.9	-171.7	158.5	0	0	116.5	D38	E36-D38 PolarHBondContact O-N 3.26Å
37	V	48.8	Very low	44.9	Very low	127 Å²	127	145.2 Å²	145.2	77%	0.77	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-5.4	-176.8	-178.8	0	0	0	0	114.3
38	D	47.3	Very low	47.1	Very low	141 Å²	141	141.9 Å²	141.9	75%	0.754	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.8	15.6	-171.7	-142.2	19.4	0	0	0	116.4	E36	E36-D38 PolarHBondContact O-N 3.26Å
39	K	48	Very low	49.4	Very low	199 Å²	199	139 Å²	139	87%	0.865	73%	0.726	S	S	*	*	S	Bend	trans	-104.3	-12.2	175.5	-79.3	-171.1	-179.4	176.6	0	116.3
40	E	49.6	Very low	52.3	Low	174 Å²	174	132.4 Å²	132.4	81%	0.813	71%	0.708	S	S	*	*	S	Bend	trans	-89.2	-14.1	-178.5	-131.7	-161.2	-178.9	0	0	114.5	N42	E40-N42 VanDerWaalsContact C-N 3.34Å; E40-N42 PolarHBondContact O-N 3.46Å
41	K	45.3	Very low	55	Low	191 Å²	191	135.8 Å²	135.8	83%	0.83	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	0.8	-175	-90.1	-173.1	178.7	179.5	0	116.4
42	N	47	Very low	57.6	Low	133 Å²	133	136.9 Å²	136.9	71%	0.711	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	12.5	-178.6	-134	7.6	0	0	0	114.8	E40 F44	E40-N42 VanDerWaalsContact C-N 3.34Å; E40-N42 PolarHBondContact O-N 3.46Å; N42-F44 PolarHBondContact O-N 2.83Å
43	Q	45.5	Very low	60.1	Low	170 Å²	170	132.6 Å²	132.6	79%	0.794	66%	0.662	S	S	*	*			trans	-75.5	84.5	160.9	-87.4	-171.8	-20.9	0	0	108.7	P45	Q43-P45 WeakPolarHBondContact O-CD 3.32Å; Q43-P45 VanDerWaalsContact O-N 3.11Å
44	F	50.5	Low	62.7	Low	173 Å²	173	133.5 Å²	133.5	76%	0.759	65%	0.651	S	S	*	*			trans	-48.3	120.2	152	-85.5	-93.2	0	0	0	106.7	N42 K46	N42-F44 PolarHBondContact O-N 2.83Å; F44-K46 PolarHBondContact O-N 3.4Å
45	P	53.7	Low	65	Low	108 Å²	108	130.7 Å²	130.7	70%	0.701	63%	0.627	S	S	*	*			trans	-56.1	116.8	176.5	22.1	-30.8	0	0	0	106.5	Q43 M47	Q43-P45 WeakPolarHBondContact O-CD 3.32Å; Q43-P45 VanDerWaalsContact O-N 3.11Å; P45-M47 VanDerWaalsContact C-N 3.32Å; P45-M47 PolarHBondContact O-N 3.33Å
46	K	59	Low	67.5	Low	194 Å²	194	123.9 Å²	123.9	84%	0.843	59%	0.592	S	S	*	*			trans	-59.9	103.7	171.8	-77	-171.9	179.4	-177.4	0	105.7	F44 V48	F44-K46 PolarHBondContact O-N 3.4Å; K46-V48 VanDerWaalsContact C-N 3.32Å; K46-V48 PolarHBondContact O-N 3.43Å
47	M	67.8	Low	70	Confident	98 Å²	98	115.8 Å²	115.8	48%	0.483	56%	0.555	S	S	.	*			trans	-69	97.3	173.1	-63.6	-171.1	-61.9	0	0	106.6	P45 Y116	P45-M47 VanDerWaalsContact C-N 3.32Å; P45-M47 PolarHBondContact O-N 3.33Å; M47-Y116 HydrophobicContact CB-CD1 4.43Å; M47-Y116 HydrophobicContact CB-CE1 3.72Å; M47-Y116 HydrophobicContact CB-CE2 4.42Å; M47-Y116 HydrophobicContact CE-CD1 3.82Å; M47-Y116 HydrophobicContact CE-CE1 4.16Å; M47-Y116 HydrophobicContact CE-CG 4.32Å; M47-Y116 PolarHBondContact O-OH 3.23Å
48	V	81.9	Confident	72.2	Confident	117 Å²	117	114 Å²	114	71%	0.709	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-81.9	122.4	176.8	179	0	0	0	0	108	K46 T50 Y116	K46-V48 VanDerWaalsContact C-N 3.32Å; K46-V48 PolarHBondContact O-N 3.43Å; V48-T50 PolarHBondContact O-N 3.37Å; V48-Y116 PolarHBondContact O-OH 2.92Å
49	I	86.5	Confident	74.4	Confident	13 Å²	13	107.9 Å²	107.9	7%	0.067	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-63.3	127.8	176.7	-64.9	174.2	0	0	0	106.6	L53 W54 I57 L111 Y116 Y124	I49-L53 HydrophobicContact CG2-CB 3.45Å; I49-L53 VanDerWaalsContact CG2-CB 3.45Å; I49-L53 HydrophobicContact CG2-CD1 4.45Å; I49-W54 HydrophobicContact CB-CD2 4.4Å; I49-W54 HydrophobicContact CB-CG 4.32Å; I49-W54 HydrophobicContact CB-CZ2 4.41Å; I49-W54 HydrophobicContact CD1-CH2 4.34Å; I49-W54 HydrophobicContact CD1-CZ2 3.93Å; I49-W54 HydrophobicContact CG2-CB 4.42Å; I49-W54 HydrophobicContact CG2-CD2 4.02Å; I49-W54 HydrophobicContact CG2-CG 3.74Å; I49-W54 PolarHBondContact O-NE1 3.26Å; I49-I57 HydrophobicContact CD1-CD1 4.34Å; I49-I57 HydrophobicContact CG2-CD1 4.35Å; I49-L111 HydrophobicContact CG2-CD1 4.49Å; I49-Y116 WeakPolarHBondContact CA-OH 3.33Å; I49-Y116 HydrophobicContact CG1-CE1 4.04Å; I49-Y116 HydrophobicContact CG1-CE2 4.28Å; I49-Y116 WeakPolarHBondContact CG1-OH 3.47Å; I49-Y116 PolarHBondContact N-OH 2.91Å; I49-Y124 HydrophobicContact CD1-CE1 3.96Å; I49-Y124 HydrophobicContact CD1-CE2 4.41Å
50	T	90.2	Very high	76.6	Confident	73 Å²	73	98.8 Å²	98.8	45%	0.448	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-66.6	158.6	-177.5	69.3	0	0	0	0	110.5	V48 R52 L53 W54	V48-T50 PolarHBondContact O-N 3.37Å; T50-R52 PolarHBondContact O-N 3.04Å; T50-L53 HydrophobicContact CG2-CD1 4.37Å; T50-L53 PolarHBondContact O-N 3.14Å; T50-L53 VanDerWaalsContact O-N 3.14Å; T50-L53 WeakPolarHBondContact OG1-CD1 3.37Å; T50-L53 WeakPolarHBondContact OG1-CG 3.32Å; T50-L53 PolarHBondContact OG1-N 2.96Å; T50-W54 PolarHBondContact O-N 3.46Å
51	R	91.3	Very high	78.8	Confident	179 Å²	179	92.3 Å²	92.3	68%	0.675	44%	0.442	S	S	*	.	H	α-helix	trans	-53.2	-42	177.7	-179.3	179.2	173.2	-84.6	0.3	112.2	W54 L55	R51-W54 PolarHBondContact O-N 2.93Å; R51-L55 HydrophobicContact CG-CD1 4.19Å; R51-L55 HydrophobicContact CG-CG 4.48Å; R51-L55 VanDerWaalsContact O-CG 3.32Å; R51-L55 WeakPolarHBondContact O-CG 3.4Å; R51-L55 PolarHBondContact O-N 3.41Å
52	R	91	Very high	81.1	Confident	136 Å²	136	85.9 Å²	85.9	51%	0.513	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-46.9	178.4	-61	-169	167.4	160.6	-0.8	112.1	T50 W54 L55 L56 D168	T50-R52 PolarHBondContact O-N 3.04Å; R52-W54 VanDerWaalsContact C-N 3.33Å; R52-W54 PolarHBondContact O-N 3.07Å; R52-L55 PolarHBondContact O-N 3.49Å; R52-L56 WeakPolarHBondContact O-CB 3.41Å; R52-L56 PolarHBondContact O-N 3.19Å; R52-D168 WeakPolarHBondContact CA-OD2 3.22Å; R52-D168 WeakPolarHBondContact CD-OD1 3.41Å; R52-D168 WeakPolarHBondContact CG-OD1 3.49Å; R52-D168 IonicContact NE-OD1 3.8Å; R52-D168 PolarHBondContact NE-OD1 2.96Å
53	L	92.5	Very high	83.4	Confident	15 Å²	15	80.7 Å²	80.7	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-64.7	-37.6	178	-67.8	171.2	0	0	0	111.9	I49 T50 L56 I57 P110 L111 A114	I49-L53 HydrophobicContact CG2-CB 3.45Å; I49-L53 VanDerWaalsContact CG2-CB 3.45Å; I49-L53 HydrophobicContact CG2-CD1 4.45Å; T50-L53 HydrophobicContact CG2-CD1 4.37Å; T50-L53 PolarHBondContact O-N 3.14Å; T50-L53 VanDerWaalsContact O-N 3.14Å; T50-L53 WeakPolarHBondContact OG1-CD1 3.37Å; T50-L53 WeakPolarHBondContact OG1-CG 3.32Å; T50-L53 PolarHBondContact OG1-N 2.96Å; L53-L56 PolarHBondContact O-N 3.2Å; L53-I57 WeakPolarHBondContact O-CD1 3.31Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.34Å; L53-I57 PolarHBondContact O-N 3.45Å; L53-P110 HydrophobicContact CD2-CB 3.51Å; L53-L111 HydrophobicContact CB-CD1 4.07Å; L53-L111 HydrophobicContact CD1-CD1 3.97Å; L53-L111 HydrophobicContact CD2-CD1 4.09Å; L53-L111 HydrophobicContact CG-CD1 4.25Å; L53-A114 HydrophobicContact CD1-CB 3.78Å
54	W	93	Very high	85.7	Confident	116 Å²	116	72.6 Å²	72.6	44%	0.439	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-45.2	173.6	-89.5	120.4	0	0	0	112.8	I49 T50 R51 R52 L56 I57 I58	I49-W54 HydrophobicContact CB-CD2 4.4Å; I49-W54 HydrophobicContact CB-CG 4.32Å; I49-W54 HydrophobicContact CB-CZ2 4.41Å; I49-W54 HydrophobicContact CD1-CH2 4.34Å; I49-W54 HydrophobicContact CD1-CZ2 3.93Å; I49-W54 HydrophobicContact CG2-CB 4.42Å; I49-W54 HydrophobicContact CG2-CD2 4.02Å; I49-W54 HydrophobicContact CG2-CG 3.74Å; I49-W54 PolarHBondContact O-NE1 3.26Å; T50-W54 PolarHBondContact O-N 3.46Å; R51-W54 PolarHBondContact O-N 2.93Å; R52-W54 VanDerWaalsContact C-N 3.33Å; R52-W54 PolarHBondContact O-N 3.07Å; W54-L56 VanDerWaalsContact C-N 3.28Å; W54-L56 PolarHBondContact O-N 3.13Å; W54-I57 PolarHBondContact O-N 3.05Å; W54-I58 HydrophobicContact CE3-CD1 4.48Å; W54-I58 WeakPolarHBondContact O-CB 3.42Å; W54-I58 VanDerWaalsContact O-CG1 3.25Å; W54-I58 WeakPolarHBondContact O-CG1 3.34Å; W54-I58 PolarHBondContact O-N 3.12Å
55	L	92.8	Very high	87.9	Confident	50 Å²	50	67 Å²	67	26%	0.262	33%	0.33	S	S	.	.	H	α-helix	trans	-60	-42	176.4	-72.5	172.9	0	0	0	111	R51 R52 I58 A59	R51-L55 HydrophobicContact CG-CD1 4.19Å; R51-L55 HydrophobicContact CG-CG 4.48Å; R51-L55 VanDerWaalsContact O-CG 3.32Å; R51-L55 WeakPolarHBondContact O-CG 3.4Å; R51-L55 PolarHBondContact O-N 3.41Å; R52-L55 PolarHBondContact O-N 3.49Å; L55-I58 PolarHBondContact O-N 3.41Å; L55-A59 WeakPolarHBondContact O-CB 3.36Å; L55-A59 PolarHBondContact O-N 3.22Å
56	L	93.5	Very high	89.8	Confident	12 Å²	12	62.4 Å²	62.4	6%	0.063	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-52.5	175.4	-178.3	64.1	0	0	0	112.5	R52 L53 W54 I58 A59 I60 A106 P110 V164 I169	R52-L56 WeakPolarHBondContact O-CB 3.41Å; R52-L56 PolarHBondContact O-N 3.19Å; L53-L56 PolarHBondContact O-N 3.2Å; W54-L56 VanDerWaalsContact C-N 3.28Å; W54-L56 PolarHBondContact O-N 3.13Å; L56-I58 VanDerWaalsContact C-N 3.32Å; L56-I58 PolarHBondContact O-N 2.73Å; L56-A59 PolarHBondContact O-N 3.45Å; L56-I60 HydrophobicContact CD1-CD1 3.71Å; L56-I60 HydrophobicContact CD1-CG1 4.37Å; L56-I60 HydrophobicContact CG-CD1 4.1Å; L56-I60 WeakPolarHBondContact O-CG1 3.35Å; L56-I60 PolarHBondContact O-N 3.24Å; L56-A106 WeakPolarHBondContact CD2-O 3.19Å; L56-P110 HydrophobicContact CD2-CB 4.45Å; L56-P110 HydrophobicContact CD2-CG 4.18Å; L56-V164 HydrophobicContact CB-CG1 4.44Å; L56-V164 HydrophobicContact CD1-CG1 3.85Å; L56-I169 HydrophobicContact CD1-CD1 3.64Å; L56-I169 HydrophobicContact CD1-CG1 3.94Å
57	I	94.8	Very high	91.5	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-57.9	-46.4	178.8	-71	160.1	0	0	0	110.5	I49 L53 W54 T61 V107 L111 Y124	I49-I57 HydrophobicContact CD1-CD1 4.34Å; I49-I57 HydrophobicContact CG2-CD1 4.35Å; L53-I57 WeakPolarHBondContact O-CD1 3.31Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.34Å; L53-I57 PolarHBondContact O-N 3.45Å; W54-I57 PolarHBondContact O-N 3.05Å; I57-T61 VanDerWaalsContact O-CB 3.3Å; I57-T61 WeakPolarHBondContact O-CB 3.1Å; I57-T61 PolarHBondContact O-N 3.4Å; I57-T61 PolarHBondContact O-OG1 3.3Å; I57-V107 HydrophobicContact CD1-CG1 4.45Å; I57-V107 HydrophobicContact CG1-CG1 3.64Å; I57-L111 HydrophobicContact CD1-CD1 3.99Å; I57-Y124 HydrophobicContact CD1-CD1 4Å; I57-Y124 HydrophobicContact CD1-CE1 4.49Å
58	I	94.2	Very high	92.8	Very high	90 Å²	90	49.2 Å²	49.2	46%	0.462	24%	0.24	S	C	.	.	H	α-helix	trans	-66.5	-45.5	-178.8	-69.5	167.2	0	0	0	110.8	W54 L55 L56 T61 V62	W54-I58 HydrophobicContact CE3-CD1 4.48Å; W54-I58 WeakPolarHBondContact O-CB 3.42Å; W54-I58 VanDerWaalsContact O-CG1 3.25Å; W54-I58 WeakPolarHBondContact O-CG1 3.34Å; W54-I58 PolarHBondContact O-N 3.12Å; L55-I58 PolarHBondContact O-N 3.41Å; L56-I58 VanDerWaalsContact C-N 3.32Å; L56-I58 PolarHBondContact O-N 2.73Å; I58-T61 PolarHBondContact O-N 2.93Å; I58-V62 HydrophobicContact CG2-CG2 4.17Å; I58-V62 WeakPolarHBondContact O-CB 3.29Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.42Å; I58-V62 PolarHBondContact O-N 2.98Å
59	A	94.1	Very high	93.5	Very high	12 Å²	12	45.1 Å²	45.1	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-44.5	-177.3	0	0	0	0	0	112	L55 L56 V62 H63 V164	L55-A59 WeakPolarHBondContact O-CB 3.36Å; L55-A59 PolarHBondContact O-N 3.22Å; L56-A59 PolarHBondContact O-N 3.45Å; A59-V62 PolarHBondContact O-N 2.96Å; A59-H63 VanDerWaalsContact O-CB 3.31Å; A59-H63 WeakPolarHBondContact O-CB 3.5Å; A59-H63 PolarHBondContact O-N 3.28Å; A59-V164 HydrophobicContact CB-CB 4.01Å; A59-V164 HydrophobicContact CB-CG1 4.25Å; A59-V164 HydrophobicContact CB-CG2 3.45Å; A59-V164 VanDerWaalsContact CB-CG2 3.45Å
60	I	94.9	Very high	93.8	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-62.7	-51.6	174.2	-66.7	171.5	0	0	0	109.1	L56 V62 H63 N64 E103 A106 V107 M161	L56-I60 HydrophobicContact CD1-CD1 3.71Å; L56-I60 HydrophobicContact CD1-CG1 4.37Å; L56-I60 HydrophobicContact CG-CD1 4.1Å; L56-I60 WeakPolarHBondContact O-CG1 3.35Å; L56-I60 PolarHBondContact O-N 3.24Å; I60-V62 VanDerWaalsContact C-N 3.28Å; I60-V62 PolarHBondContact O-N 3.44Å; I60-V62 VanDerWaalsContact O-N 3.14Å; I60-H63 WeakPolarHBondContact O-CA 3.02Å; I60-H63 WeakPolarHBondContact O-CB 3.15Å; I60-H63 PolarHBondContact O-N 3.47Å; I60-N64 PolarHBondContact O-N 3.27Å; I60-N64 PolarHBondContact O-OD1 3.4Å; I60-E103 HydrophobicContact CG2-CB 4.19Å; I60-A106 HydrophobicContact CD1-CB 4.23Å; I60-V107 HydrophobicContact CB-CG2 4.34Å; I60-V107 HydrophobicContact CD1-CG2 3.43Å; I60-V107 VanDerWaalsContact CD1-CG2 3.43Å; I60-V107 HydrophobicContact CG1-CG2 4.43Å; I60-V107 HydrophobicContact CG2-CG2 4.37Å; I60-M161 HydrophobicContact CG1-CE 4.3Å
61	T	95.2	Very high	94	Very high	38 Å²	38	43 Å²	43	23%	0.233	20%	0.201	C	C	.	.	H	α-helix	trans	-55.1	-41	179	-54.1	0	0	0	0	113.3	I57 I58 H63 S128 V131	I57-T61 VanDerWaalsContact O-CB 3.3Å; I57-T61 WeakPolarHBondContact O-CB 3.1Å; I57-T61 PolarHBondContact O-N 3.4Å; I57-T61 PolarHBondContact O-OG1 3.3Å; I58-T61 PolarHBondContact O-N 2.93Å; T61-H63 VanDerWaalsContact C-N 3.35Å; T61-S128 WeakPolarHBondContact OG1-CB 3.41Å; T61-V131 HydrophobicContact CG2-CB 4.49Å; T61-V131 HydrophobicContact CG2-CG1 4.35Å
62	V	93.8	Very high	94.3	Very high	56 Å²	56	34.6 Å²	34.6	34%	0.339	17%	0.17	S	C	.	.	H	α-helix	trans	-72.1	-29.8	177.8	170.8	0	0	0	0	111.8	I58 A59 I60 P66	I58-V62 HydrophobicContact CG2-CG2 4.17Å; I58-V62 WeakPolarHBondContact O-CB 3.29Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.42Å; I58-V62 PolarHBondContact O-N 2.98Å; A59-V62 PolarHBondContact O-N 2.96Å; I60-V62 VanDerWaalsContact C-N 3.28Å; I60-V62 PolarHBondContact O-N 3.44Å; I60-V62 VanDerWaalsContact O-N 3.14Å; V62-P66 WeakPolarHBondContact O-CD 3.44Å
63	H	94.6	Very high	94.5	Very high	24 Å²	24	28.7 Å²	28.7	11%	0.111	15%	0.149	C	C	.	.	H	α-helix	trans	-69.6	-40.6	176.2	-168.8	85.5	0	0	0	112.5	A59 I60 T61 I65 P66 E67 E103 A157 M161	A59-H63 VanDerWaalsContact O-CB 3.31Å; A59-H63 WeakPolarHBondContact O-CB 3.5Å; A59-H63 PolarHBondContact O-N 3.28Å; I60-H63 WeakPolarHBondContact O-CA 3.02Å; I60-H63 WeakPolarHBondContact O-CB 3.15Å; I60-H63 PolarHBondContact O-N 3.47Å; T61-H63 VanDerWaalsContact C-N 3.35Å; H63-I65 PolarHBondContact O-N 3.36Å; H63-P66 VanDerWaalsContact O-CD 3.22Å; H63-P66 WeakPolarHBondContact O-CD 3.32Å; H63-E67 IonicContact CD2-OE1 3.74Å; H63-E67 IonicContact NE2-OE1 3.4Å; H63-E103 IonicContact CD2-OE1 3.65Å; H63-A157 PolarHBondContact ND1-O 2.84Å; H63-M161 HydrophobicContact CB-CE 3.72Å; H63-M161 VanDerWaalsContact CD2-CE 3.44Å; H63-M161 WeakPolarHBondContact CD2-CE 3.47Å; H63-M161 VanDerWaalsContact CG-CE 3.4Å
64	N	95.4	Very high	94.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-69.1	-19.7	-179.3	-66.1	50.2	0	0	0	111.9	I60 E67 G68 E103 V131 E132	I60-N64 PolarHBondContact O-N 3.27Å; I60-N64 PolarHBondContact O-OD1 3.4Å; N64-E67 PolarHBondContact O-N 2.84Å; N64-G68 PolarHBondContact O-N 3.18Å; N64-E103 PolarHBondContact ND2-OE2 3.42Å; N64-E103 PolarHBondContact OD1-OE2 3.09Å; N64-E103 VanDerWaalsContact OD1-OE2 3.09Å; N64-V131 HydrophobicContact CB-CG1 3.71Å; N64-E132 HydrophobicContact CB-CG 3.68Å; N64-E132 PolarHBondContact ND2-OE1 3.18Å; N64-E132 WeakPolarHBondContact O-CG 3.31Å
65	I	95	Very high	94.6	Very high	56 Å²	56	27 Å²	27	29%	0.287	15%	0.148	S	C	.	.	H	α-helix	trans	-61.6	-57.6	174.9	-70.1	166.9	0	0	0	111.9	H63 E67 G68 F69 V131 A135	H63-I65 PolarHBondContact O-N 3.36Å; I65-E67 VanDerWaalsContact C-N 3.26Å; I65-E67 PolarHBondContact O-N 2.78Å; I65-G68 PolarHBondContact O-N 3.32Å; I65-F69 HydrophobicContact CG2-CD2 3.96Å; I65-F69 HydrophobicContact CG2-CE2 3.41Å; I65-F69 VanDerWaalsContact CG2-CE2 3.41Å; I65-F69 HydrophobicContact CG2-CZ 3.91Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å; I65-F69 PolarHBondContact O-N 3.26Å; I65-V131 HydrophobicContact CD1-CG2 4.06Å; I65-V131 HydrophobicContact CG1-CB 4.39Å; I65-V131 HydrophobicContact CG1-CG1 4.09Å; I65-V131 HydrophobicContact CG1-CG2 3.4Å; I65-A135 HydrophobicContact CG2-CB 4.39Å; I65-A135 WeakPolarHBondContact O-CB 3.1Å
66	P	94.5	Very high	94.7	Very high	10 Å²	10	25.2 Å²	25.2	7%	0.065	14%	0.142	C	C	.	.	H	α-helix	trans	-53.7	-35.7	172.5	-32.6	36.4	0	0	0	115.4	V62 H63 F69 A70 A153 L154 A157	V62-P66 WeakPolarHBondContact O-CD 3.44Å; H63-P66 VanDerWaalsContact O-CD 3.22Å; H63-P66 WeakPolarHBondContact O-CD 3.32Å; P66-F69 WeakPolarHBondContact O-CB 3.49Å; P66-F69 PolarHBondContact O-N 2.97Å; P66-A70 PolarHBondContact O-N 3.24Å; P66-A153 HydrophobicContact CB-CB 4.44Å; P66-A153 HydrophobicContact CG-CB 4.15Å; P66-L154 HydrophobicContact CB-CD2 3.56Å; P66-L154 HydrophobicContact CB-CG 4.17Å; P66-A157 HydrophobicContact CG-CB 3.84Å
67	E	94	Very high	94.6	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.065	14%	0.14	C	C	.	.	H	α-helix	trans	-68.2	-45.8	177.7	-64.4	-170.2	143.7	0	0	111.9	H63 N64 I65 F69 A70 V71 I96	H63-E67 IonicContact CD2-OE1 3.74Å; H63-E67 IonicContact NE2-OE1 3.4Å; N64-E67 PolarHBondContact O-N 2.84Å; I65-E67 VanDerWaalsContact C-N 3.26Å; I65-E67 PolarHBondContact O-N 2.78Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 3.48Å; E67-A70 WeakPolarHBondContact O-CA 3.38Å; E67-A70 WeakPolarHBondContact O-CB 3.39Å; E67-A70 PolarHBondContact O-N 2.73Å; E67-V71 PolarHBondContact O-N 3.38Å; E67-I96 HydrophobicContact CB-CD1 4.11Å; E67-I96 HydrophobicContact CB-CG1 4.47Å; E67-I96 HydrophobicContact CB-CG2 4.14Å
68	G	95.9	Very high	94.5	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-55	-46.9	171.2	0	0	0	0	0	110.9	N64 I65 A70 V71 G72 E132 G136	N64-G68 PolarHBondContact O-N 3.18Å; I65-G68 PolarHBondContact O-N 3.32Å; G68-A70 VanDerWaalsContact C-N 3.32Å; G68-A70 PolarHBondContact O-N 2.9Å; G68-V71 PolarHBondContact O-N 3Å; G68-G72 PolarHBondContact O-N 3.25Å; G68-E132 WeakPolarHBondContact CA-O 3.44Å; G68-G136 WeakPolarHBondContact O-CA 3.47Å; G68-G136 PolarHBondContact O-N 3.38Å
69	F	95.6	Very high	94.2	Very high	31 Å²	31	26.5 Å²	26.5	14%	0.136	17%	0.17	C	C	.	.	H	α-helix	trans	-57.4	-43	173.4	-69.8	-37.7	0	0	0	112.5	I65 P66 E67 V71 G72 I73 A135 I138 F146	I65-F69 HydrophobicContact CG2-CD2 3.96Å; I65-F69 HydrophobicContact CG2-CE2 3.41Å; I65-F69 VanDerWaalsContact CG2-CE2 3.41Å; I65-F69 HydrophobicContact CG2-CZ 3.91Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å; I65-F69 PolarHBondContact O-N 3.26Å; P66-F69 WeakPolarHBondContact O-CB 3.49Å; P66-F69 PolarHBondContact O-N 2.97Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 3.48Å; F69-V71 PolarHBondContact O-N 3.41Å; F69-G72 PolarHBondContact O-N 3.31Å; F69-I73 HydrophobicContact CB-CD1 4.13Å; F69-I73 VanDerWaalsContact O-CB 3.31Å; F69-I73 WeakPolarHBondContact O-CB 3.4Å; F69-I73 WeakPolarHBondContact O-CD1 3.35Å; F69-I73 WeakPolarHBondContact O-CG1 3.37Å; F69-I73 PolarHBondContact O-N 3.3Å; F69-A135 HydrophobicContact CD1-CB 3.98Å; F69-A135 WeakPolarHBondContact CD1-O 3.44Å; F69-A135 HydrophobicContact CE1-CB 3.92Å; F69-A135 WeakPolarHBondContact CE1-O 3.45Å; F69-A135 HydrophobicContact CG-CB 4.44Å; F69-A135 HydrophobicContact CZ-CB 4.39Å; F69-I138 HydrophobicContact CE1-CB 4.07Å; F69-I138 HydrophobicContact CE1-CG2 3.85Å; F69-F146 HydrophobicContact CD1-CD1 4.08Å; F69-F146 HydrophobicContact CD1-CE1 4.15Å; F69-F146 HydrophobicContact CD1-CG 4.38Å; F69-F146 HydrophobicContact CD1-CZ 4.49Å; F69-F146 HydrophobicContact CD2-CD1 4.02Å; F69-F146 HydrophobicContact CD2-CE1 4.15Å; F69-F146 HydrophobicContact CE1-CD1 4.08Å; F69-F146 AromaticContact CE1-CE1 3.66Å; F69-F146 HydrophobicContact CE1-CE1 3.66Å; F69-F146 HydrophobicContact CE1-CE2 4.34Å; F69-F146 AromaticContact CE1-CZ 3.81Å; F69-F146 HydrophobicContact CE1-CZ 3.81Å; F69-F146 AromaticContact CE2-CD1 3.97Å; F69-F146 HydrophobicContact CE2-CD1 3.97Å; F69-F146 AromaticContact CE2-CE1 3.63Å; F69-F146 HydrophobicContact CE2-CE1 3.63Å; F69-F146 HydrophobicContact CE2-CZ 4.49Å; F69-F146 HydrophobicContact CG-CD1 4.1Å; F69-F146 HydrophobicContact CG-CE1 4.42Å; F69-F146 HydrophobicContact CZ-CD1 4.03Å; F69-F146 AromaticContact CZ-CE1 3.38Å; F69-F146 HydrophobicContact CZ-CE1 3.38Å; F69-F146 AromaticContact CZ-CZ 3.81Å; F69-F146 HydrophobicContact CZ-CZ 3.81Å
70	A	94.1	Very high	93.7	Very high	8 Å²	8	31.3 Å²	31.3	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-46.8	179.1	0	0	0	0	0	111.8	P66 E67 G68 A74 L92 I96	P66-A70 PolarHBondContact O-N 3.24Å; E67-A70 WeakPolarHBondContact O-CA 3.38Å; E67-A70 WeakPolarHBondContact O-CB 3.39Å; E67-A70 PolarHBondContact O-N 2.73Å; G68-A70 VanDerWaalsContact C-N 3.32Å; G68-A70 PolarHBondContact O-N 2.9Å; A70-A74 VanDerWaalsContact O-CB 3.3Å; A70-A74 WeakPolarHBondContact O-CB 3.38Å; A70-A74 PolarHBondContact O-N 3.34Å; A70-L92 HydrophobicContact CB-CD2 4.19Å; A70-I96 HydrophobicContact CB-CD1 4.49Å
71	V	95	Very high	93	Very high	33 Å²	33	33.8 Å²	33.8	20%	0.2	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-48.9	174.8	179.3	0	0	0	0	110.7	E67 G68 F69 I73 A74 F75 A93 I96	E67-V71 PolarHBondContact O-N 3.38Å; G68-V71 PolarHBondContact O-N 3Å; F69-V71 PolarHBondContact O-N 3.41Å; V71-I73 PolarHBondContact O-N 2.92Å; V71-A74 PolarHBondContact O-N 3.46Å; V71-F75 HydrophobicContact CG1-CD2 3.84Å; V71-F75 HydrophobicContact CG1-CE2 3.9Å; V71-F75 WeakPolarHBondContact O-CD2 3.4Å; V71-F75 PolarHBondContact O-N 2.86Å; V71-F75 VanDerWaalsContact O-N 3.08Å; V71-A93 HydrophobicContact CG1-CB 4.02Å; V71-A93 HydrophobicContact CG2-CB 4.39Å; V71-I96 HydrophobicContact CG2-CD1 3.47Å; V71-I96 VanDerWaalsContact CG2-CD1 3.47Å
72	G	96.1	Very high	92.1	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-58.5	-46.1	179.9	0	0	0	0	0	113.5	G68 F69 G76 G136 C140	G68-G72 PolarHBondContact O-N 3.25Å; F69-G72 PolarHBondContact O-N 3.31Å; G72-G76 PolarHBondContact O-N 2.95Å; G72-G136 WeakPolarHBondContact CA-O 3.29Å; G72-C140 VanDerWaalsContact O-CA 3.26Å; G72-C140 WeakPolarHBondContact O-CA 3.47Å
73	I	94.8	Very high	91.4	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.062	26%	0.255	C	S	.	.	H	α-helix	trans	-66.8	-38.4	178.6	-67.9	157.7	0	0	0	110.7	F69 V71 G77 V143 F146 R147 Q150	F69-I73 HydrophobicContact CB-CD1 4.13Å; F69-I73 VanDerWaalsContact O-CB 3.31Å; F69-I73 WeakPolarHBondContact O-CB 3.4Å; F69-I73 WeakPolarHBondContact O-CD1 3.35Å; F69-I73 WeakPolarHBondContact O-CG1 3.37Å; F69-I73 PolarHBondContact O-N 3.3Å; V71-I73 PolarHBondContact O-N 2.92Å; I73-G77 WeakPolarHBondContact O-CA 3.28Å; I73-G77 PolarHBondContact O-N 3.34Å; I73-V143 HydrophobicContact CG2-CG1 4.14Å; I73-F146 HydrophobicContact CD1-CB 3.53Å; I73-F146 HydrophobicContact CG1-CB 4.03Å; I73-R147 HydrophobicContact CG2-CB 4.05Å; I73-R147 HydrophobicContact CG2-CG 4.21Å; I73-Q150 HydrophobicContact CD1-CB 4.26Å; I73-Q150 HydrophobicContact CD1-CG 4.41Å
74	A	93.4	Very high	90.9	Very high	24 Å²	24	46 Å²	46	20%	0.198	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-46.4	178.4	0	0	0	0	0	111.7	A70 V71 A89 L92	A70-A74 VanDerWaalsContact O-CB 3.3Å; A70-A74 WeakPolarHBondContact O-CB 3.38Å; A70-A74 PolarHBondContact O-N 3.34Å; V71-A74 PolarHBondContact O-N 3.46Å; A74-A89 HydrophobicContact CB-CB 3.88Å; A74-L92 HydrophobicContact CB-CD2 3.77Å
75	F	94.9	Very high	90.8	Very high	70 Å²	70	49 Å²	49	31%	0.307	28%	0.28	S	S	.	.	H	α-helix	trans	-74.7	-41.8	176.3	-77.4	-76.1	0	0	0	113.3	V71 G77 L78 F86 A89 A93	V71-F75 HydrophobicContact CG1-CD2 3.84Å; V71-F75 HydrophobicContact CG1-CE2 3.9Å; V71-F75 WeakPolarHBondContact O-CD2 3.4Å; V71-F75 PolarHBondContact O-N 2.86Å; V71-F75 VanDerWaalsContact O-N 3.08Å; F75-G77 VanDerWaalsContact C-N 3.27Å; F75-G77 PolarHBondContact O-N 2.93Å; F75-L78 HydrophobicContact CD1-CD1 3.98Å; F75-L78 WeakPolarHBondContact O-CB 3.35Å; F75-L78 WeakPolarHBondContact O-CD1 3.37Å; F75-L78 WeakPolarHBondContact O-CG 3.26Å; F75-L78 PolarHBondContact O-N 3.24Å; F75-F86 HydrophobicContact CE1-CD2 4.31Å; F75-F86 AromaticContact CE1-CE2 3.98Å; F75-F86 HydrophobicContact CE1-CE2 3.98Å; F75-A89 HydrophobicContact CD1-CB 3.9Å; F75-A89 HydrophobicContact CD2-CB 4.15Å; F75-A89 HydrophobicContact CE1-CB 3.83Å; F75-A89 HydrophobicContact CE2-CB 4.09Å; F75-A89 HydrophobicContact CG-CB 4.06Å; F75-A89 HydrophobicContact CZ-CB 3.93Å; F75-A93 HydrophobicContact CE2-CB 3.94Å; F75-A93 HydrophobicContact CZ-CB 4.45Å
76	G	94.4	Very high	90.7	Very high	13 Å²	13	52.9 Å²	52.9	13%	0.134	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-26.3	179.3	0	0	0	0	0	113.3	G72 L78 Q80	G72-G76 PolarHBondContact O-N 2.95Å; G76-L78 VanDerWaalsContact C-N 3.31Å; G76-Q80 PolarHBondContact O-NE2 3.2Å; G76-Q80 VanDerWaalsContact O-NE2 3.08Å
77	G	91.8	Very high	90.6	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.021	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-5.3	177.5	0	0	0	0	0	114.8	I73 F75 G79 Q80 Y81 A84	I73-G77 WeakPolarHBondContact O-CA 3.28Å; I73-G77 PolarHBondContact O-N 3.34Å; F75-G77 VanDerWaalsContact C-N 3.27Å; F75-G77 PolarHBondContact O-N 2.93Å; G77-G79 PolarHBondContact O-N 2.89Å; G77-Q80 WeakPolarHBondContact O-CB 3.3Å; G77-Q80 PolarHBondContact O-N 3.29Å; G77-Y81 PolarHBondContact O-N 3.44Å; G77-A84 WeakPolarHBondContact O-CB 3.49Å
78	L	92.7	Very high	90.4	Very high	56 Å²	56	59.1 Å²	59.1	29%	0.293	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	128.3	178.4	-66.1	176.2	0	0	0	110.5	F75 G76 Q80 T85 F86 A89	F75-L78 HydrophobicContact CD1-CD1 3.98Å; F75-L78 WeakPolarHBondContact O-CB 3.35Å; F75-L78 WeakPolarHBondContact O-CD1 3.37Å; F75-L78 WeakPolarHBondContact O-CG 3.26Å; F75-L78 PolarHBondContact O-N 3.24Å; G76-L78 VanDerWaalsContact C-N 3.31Å; L78-Q80 PolarHBondContact O-N 3.39Å; L78-T85 WeakPolarHBondContact CD2-O 3.18Å; L78-F86 HydrophobicContact CD1-CD2 3.91Å; L78-F86 HydrophobicContact CD2-CB 4.44Å; L78-A89 HydrophobicContact CD2-CB 4.45Å
79	G	87.3	Confident	90.3	Very high	84 Å²	84	59.2 Å²	59.2	87%	0.866	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.5	-11.7	-176.1	0	0	0	0	0	115.4	G77	G77-G79 PolarHBondContact O-N 2.89Å
80	Q	84.2	Confident	90.3	Very high	113 Å²	113	59.3 Å²	59.3	53%	0.528	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-29.4	176.1	-59.1	-173.8	10.6	0	0	112.5	G76 G77 L78	G76-Q80 PolarHBondContact O-NE2 3.2Å; G76-Q80 VanDerWaalsContact O-NE2 3.08Å; G77-Q80 WeakPolarHBondContact O-CB 3.3Å; G77-Q80 PolarHBondContact O-N 3.29Å; L78-Q80 PolarHBondContact O-N 3.39Å
81	Y	81.3	Confident	90.3	Very high	60 Å²	60	61 Å²	61	24%	0.235	34%	0.344	C	S	.	.	S	Bend	trans	-132.8	136.6	-175.2	-50.9	-67.1	0	0	0	111.3	G77 R83 A84 V143 R147	G77-Y81 PolarHBondContact O-N 3.44Å; Y81-R83 PolarHBondContact O-N 2.8Å; Y81-A84 PolarHBondContact O-N 2.96Å; Y81-V143 HydrophobicContact CE2-CG1 3.87Å; Y81-R147 VanDerWaalsContact CE1-NH2 3.28Å
82	S	76.1	Confident	90.2	Very high	131 Å²	131	61.4 Å²	61.4	92%	0.916	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	-177.4	-179.2	0	0	0	0	114.5
83	R	79.2	Confident	90.1	Very high	212 Å²	212	62.5 Å²	62.5	80%	0.8	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-11.1	178.7	-61.3	-176.5	71.6	88.5	-1.3	113.5	Y81 T85 Q88	Y81-R83 PolarHBondContact O-N 2.8Å; R83-T85 PolarHBondContact O-N 3.31Å; R83-Q88 PolarHBondContact O-OE1 3.48Å
84	A	84.1	Confident	90.1	Very high	31 Å²	31	66.5 Å²	66.5	26%	0.256	37%	0.374	S	S	.	.			trans	-84.8	100.1	-177.6	0	0	0	0	0	109.9	G77 Y81	G77-A84 WeakPolarHBondContact O-CB 3.49Å; Y81-A84 PolarHBondContact O-N 2.96Å
85	T	91.7	Very high	90.1	Very high	63 Å²	63	65.4 Å²	65.4	39%	0.387	37%	0.365	S	S	.	.			trans	-102.3	149.6	176.6	66.5	0	0	0	0	111.2	L78 R83 S87 Q88 A89	L78-T85 WeakPolarHBondContact CD2-O 3.18Å; R83-T85 PolarHBondContact O-N 3.31Å; T85-S87 VanDerWaalsContact C-N 3.25Å; T85-S87 PolarHBondContact O-N 2.73Å; T85-Q88 PolarHBondContact O-N 2.92Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.44Å; T85-Q88 VanDerWaalsContact OG1-CD 3.31Å; T85-Q88 VanDerWaalsContact OG1-CG 3.22Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.49Å; T85-Q88 PolarHBondContact OG1-N 3.41Å; T85-Q88 PolarHBondContact OG1-OE1 2.83Å; T85-A89 PolarHBondContact O-N 3.45Å; T85-A89 VanDerWaalsContact O-N 3.11Å
86	F	93.1	Very high	90.1	Very high	139 Å²	139	62.8 Å²	62.8	61%	0.61	35%	0.354	S	S	*	.	H	α-helix	trans	-59.4	-39.5	176.2	-178.1	-103.3	0	0	0	111.6	F75 L78 Q88 A89 C90	F75-F86 HydrophobicContact CE1-CD2 4.31Å; F75-F86 AromaticContact CE1-CE2 3.98Å; F75-F86 HydrophobicContact CE1-CE2 3.98Å; L78-F86 HydrophobicContact CD1-CD2 3.91Å; L78-F86 HydrophobicContact CD2-CB 4.44Å; F86-Q88 PolarHBondContact O-N 3.3Å; F86-A89 PolarHBondContact O-N 3.42Å; F86-C90 VanDerWaalsContact CE1-SG 3.54Å; F86-C90 VanDerWaalsContact CZ-SG 3.54Å; F86-C90 PolarHBondContact O-N 3.25Å; F86-C90 PolarHBondContact O-SG 2.94Å; F86-C90 VanDerWaalsContact O-SG 3.41Å
87	S	92.3	Very high	90.1	Very high	73 Å²	73	65 Å²	65	51%	0.51	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-44.8	177.4	-164.2	0	0	0	0	112.3	T85 C90 N91	T85-S87 VanDerWaalsContact C-N 3.25Å; T85-S87 PolarHBondContact O-N 2.73Å; S87-C90 PolarHBondContact O-N 2.92Å; S87-N91 WeakPolarHBondContact O-CB 3.15Å; S87-N91 PolarHBondContact O-N 2.83Å; S87-N91 PolarHBondContact O-OD1 2.83Å
88	Q	90.9	Very high	90.2	Very high	82 Å²	82	68.5 Å²	68.5	38%	0.383	39%	0.389	S	S	.	.	H	α-helix	trans	-67.1	-38.8	178.5	-75.8	169.4	-16.6	0	0	112.3	R83 T85 F86 C90 N91 L92	R83-Q88 PolarHBondContact O-OE1 3.48Å; T85-Q88 PolarHBondContact O-N 2.92Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.44Å; T85-Q88 VanDerWaalsContact OG1-CD 3.31Å; T85-Q88 VanDerWaalsContact OG1-CG 3.22Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.49Å; T85-Q88 PolarHBondContact OG1-N 3.41Å; T85-Q88 PolarHBondContact OG1-OE1 2.83Å; F86-Q88 PolarHBondContact O-N 3.3Å; Q88-C90 VanDerWaalsContact C-N 3.33Å; Q88-C90 PolarHBondContact O-N 2.95Å; Q88-N91 PolarHBondContact O-N 3.23Å; Q88-L92 WeakPolarHBondContact O-CB 3.07Å; Q88-L92 PolarHBondContact O-N 3.33Å
89	A	94	Very high	90.1	Very high	2 Å²	2	67.6 Å²	67.6	2%	0.017	38%	0.383	C	S	.	.	H	α-helix	trans	-62.6	-41.5	174.9	0	0	0	0	0	111.7	A74 F75 L78 T85 F86 A93	A74-A89 HydrophobicContact CB-CB 3.88Å; F75-A89 HydrophobicContact CD1-CB 3.9Å; F75-A89 HydrophobicContact CD2-CB 4.15Å; F75-A89 HydrophobicContact CE1-CB 3.83Å; F75-A89 HydrophobicContact CE2-CB 4.09Å; F75-A89 HydrophobicContact CG-CB 4.06Å; F75-A89 HydrophobicContact CZ-CB 3.93Å; L78-A89 HydrophobicContact CD2-CB 4.45Å; T85-A89 PolarHBondContact O-N 3.45Å; T85-A89 VanDerWaalsContact O-N 3.11Å; F86-A89 PolarHBondContact O-N 3.42Å; A89-A93 WeakPolarHBondContact O-CB 3.16Å; A89-A93 PolarHBondContact O-N 3.18Å; A89-A93 VanDerWaalsContact O-N 3.09Å
90	C	94.5	Very high	90.4	Very high	34 Å²	34	65.4 Å²	65.4	23%	0.23	35%	0.351	C	S	.	.	H	α-helix	trans	-65.7	-46.3	174.2	-72	0	0	0	0	112.7	F86 S87 Q88 L92 A93 I94	F86-C90 VanDerWaalsContact CE1-SG 3.54Å; F86-C90 VanDerWaalsContact CZ-SG 3.54Å; F86-C90 PolarHBondContact O-N 3.25Å; F86-C90 PolarHBondContact O-SG 2.94Å; F86-C90 VanDerWaalsContact O-SG 3.41Å; S87-C90 PolarHBondContact O-N 2.92Å; Q88-C90 VanDerWaalsContact C-N 3.33Å; Q88-C90 PolarHBondContact O-N 2.95Å; C90-L92 VanDerWaalsContact C-N 3.34Å; C90-L92 PolarHBondContact O-N 3.45Å; C90-A93 PolarHBondContact O-N 2.97Å; C90-I94 VanDerWaalsContact O-CG1 3.28Å; C90-I94 WeakPolarHBondContact O-CG1 3.32Å; C90-I94 PolarHBondContact O-N 3.02Å
91	N	94.3	Very high	90.9	Very high	42 Å²	42	66.8 Å²	66.8	23%	0.225	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-45.5	179.5	-69.9	-0.7	0	0	0	110.8	S87 Q88 A93 I94 G95 T200 T202	S87-N91 WeakPolarHBondContact O-CB 3.15Å; S87-N91 PolarHBondContact O-N 2.83Å; S87-N91 PolarHBondContact O-OD1 2.83Å; Q88-N91 PolarHBondContact O-N 3.23Å; N91-A93 PolarHBondContact O-N 3.4Å; N91-I94 PolarHBondContact O-N 3.36Å; N91-G95 PolarHBondContact O-N 2.86Å; N91-T200 WeakPolarHBondContact CB-O 3.11Å; N91-T200 WeakPolarHBondContact O-CB 3.46Å; N91-T202 PolarHBondContact ND2-OXT 2.94Å
92	L	92.9	Very high	91.4	Very high	43 Å²	43	67 Å²	67	23%	0.225	36%	0.364	C	S	.	.	H	α-helix	trans	-58.1	-47.7	175.3	178.9	67.1	0	0	0	111.9	A70 A74 Q88 C90 I94 G95 I96	A70-L92 HydrophobicContact CB-CD2 4.19Å; A74-L92 HydrophobicContact CB-CD2 3.77Å; Q88-L92 WeakPolarHBondContact O-CB 3.07Å; Q88-L92 PolarHBondContact O-N 3.33Å; C90-L92 VanDerWaalsContact C-N 3.34Å; C90-L92 PolarHBondContact O-N 3.45Å; L92-I94 PolarHBondContact O-N 3.35Å; L92-G95 PolarHBondContact O-N 3.37Å; L92-I96 HydrophobicContact CD1-CD1 3.94Å; L92-I96 HydrophobicContact CD1-CG1 4.5Å; L92-I96 HydrophobicContact CG-CD1 4Å; L92-I96 PolarHBondContact O-N 2.86Å
93	A	94.9	Very high	92.2	Very high	27 Å²	27	61.8 Å²	61.8	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-64.9	-38.8	-179.8	0	0	0	0	0	112.8	V71 F75 A89 C90 N91 A97	V71-A93 HydrophobicContact CG1-CB 4.02Å; V71-A93 HydrophobicContact CG2-CB 4.39Å; F75-A93 HydrophobicContact CE2-CB 3.94Å; F75-A93 HydrophobicContact CZ-CB 4.45Å; A89-A93 WeakPolarHBondContact O-CB 3.16Å; A89-A93 PolarHBondContact O-N 3.18Å; A89-A93 VanDerWaalsContact O-N 3.09Å; C90-A93 PolarHBondContact O-N 2.97Å; N91-A93 PolarHBondContact O-N 3.4Å; A93-A97 WeakPolarHBondContact O-CB 3.17Å; A93-A97 PolarHBondContact O-N 3.23Å
94	I	94.5	Very high	92.9	Very high	96 Å²	96	52 Å²	52	49%	0.492	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-42	174.4	-68.3	165.1	0	0	0	110.2	C90 N91 L92 A97 I98	C90-I94 VanDerWaalsContact O-CG1 3.28Å; C90-I94 WeakPolarHBondContact O-CG1 3.32Å; C90-I94 PolarHBondContact O-N 3.02Å; N91-I94 PolarHBondContact O-N 3.36Å; L92-I94 PolarHBondContact O-N 3.35Å; I94-A97 PolarHBondContact O-N 3.07Å; I94-I98 HydrophobicContact CG2-CD1 3.92Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 3.03Å
95	G	93.8	Very high	93.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-55.7	-57.4	176.7	0	0	0	0	0	111.5	N91 L92 A97 I98 Q99	N91-G95 PolarHBondContact O-N 2.86Å; L92-G95 PolarHBondContact O-N 3.37Å; G95-A97 VanDerWaalsContact C-N 3.34Å; G95-A97 PolarHBondContact O-N 3.39Å; G95-I98 PolarHBondContact O-N 2.97Å; G95-I98 VanDerWaalsContact O-N 3.15Å; G95-Q99 WeakPolarHBondContact O-CG 3.29Å; G95-Q99 PolarHBondContact O-N 2.95Å
96	I	94	Very high	93.5	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.072	29%	0.292	C	S	.	.	H	α-helix	trans	-57.2	-46.7	177.2	-69.7	166.1	0	0	0	110.8	E67 A70 V71 L92 I98 Q99 N100	E67-I96 HydrophobicContact CB-CD1 4.11Å; E67-I96 HydrophobicContact CB-CG1 4.47Å; E67-I96 HydrophobicContact CB-CG2 4.14Å; A70-I96 HydrophobicContact CB-CD1 4.49Å; V71-I96 HydrophobicContact CG2-CD1 3.47Å; V71-I96 VanDerWaalsContact CG2-CD1 3.47Å; L92-I96 HydrophobicContact CD1-CD1 3.94Å; L92-I96 HydrophobicContact CD1-CG1 4.5Å; L92-I96 HydrophobicContact CG-CD1 4Å; L92-I96 PolarHBondContact O-N 2.86Å; I96-I98 PolarHBondContact O-N 3.45Å; I96-I98 VanDerWaalsContact O-N 3.15Å; I96-Q99 WeakPolarHBondContact O-CA 3.45Å; I96-Q99 PolarHBondContact O-N 3.28Å; I96-N100 PolarHBondContact O-N 3.13Å; I96-N100 PolarHBondContact O-OD1 3.15Å
97	A	94.1	Very high	93.5	Very high	59 Å²	59	46 Å²	46	49%	0.488	26%	0.263	S	S	.	.	H	α-helix	trans	-57.6	-35.1	179.2	0	0	0	0	0	113.6	A93 I94 G95	A93-A97 WeakPolarHBondContact O-CB 3.17Å; A93-A97 PolarHBondContact O-N 3.23Å; I94-A97 PolarHBondContact O-N 3.07Å; G95-A97 VanDerWaalsContact C-N 3.34Å; G95-A97 PolarHBondContact O-N 3.39Å
98	I	93.6	Very high	93.7	Very high	77 Å²	77	43.1 Å²	43.1	40%	0.395	24%	0.243	S	C	.	.	H	α-helix	trans	-71	-35.5	175.8	-67.8	167.6	0	0	0	111	I94 G95 I96 P102 L196	I94-I98 HydrophobicContact CG2-CD1 3.92Å; I94-I98 WeakPolarHBondContact O-CG1 3.34Å; I94-I98 PolarHBondContact O-N 3.03Å; G95-I98 PolarHBondContact O-N 2.97Å; G95-I98 VanDerWaalsContact O-N 3.15Å; I96-I98 PolarHBondContact O-N 3.45Å; I96-I98 VanDerWaalsContact O-N 3.15Å; I98-P102 WeakPolarHBondContact O-CD 3.46Å; I98-L196 HydrophobicContact CD1-CD2 4.45Å; I98-L196 HydrophobicContact CG2-CD1 3.75Å
99	Q	92.3	Very high	93.9	Very high	37 Å²	37	44.2 Å²	44.2	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-72.1	-36.5	-179.7	-43.5	-148.3	1.1	0	0	112.7	G95 I96 F101 P102 E103 M193	G95-Q99 WeakPolarHBondContact O-CG 3.29Å; G95-Q99 PolarHBondContact O-N 2.95Å; I96-Q99 WeakPolarHBondContact O-CA 3.45Å; I96-Q99 PolarHBondContact O-N 3.28Å; Q99-F101 PolarHBondContact O-N 3.22Å; Q99-F101 VanDerWaalsContact O-N 3.07Å; Q99-P102 WeakPolarHBondContact O-CD 3.44Å; Q99-E103 WeakPolarHBondContact O-CG 3.33Å; Q99-E103 PolarHBondContact O-N 2.9Å; Q99-E103 VanDerWaalsContact O-N 3.15Å; Q99-M193 HydrophobicContact CB-CE 3.54Å; Q99-M193 HydrophobicContact CG-CE 3.29Å; Q99-M193 VanDerWaalsContact OE1-CE 3.26Å
100	N	93.5	Very high	93.7	Very high	37 Å²	37	45.8 Å²	45.8	20%	0.198	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-27.9	179.9	-63.6	-6	0	0	0	113.1	I96 G104 E132	I96-N100 PolarHBondContact O-N 3.13Å; I96-N100 PolarHBondContact O-OD1 3.15Å; N100-G104 PolarHBondContact O-N 3.46Å; N100-E132 PolarHBondContact ND2-OE1 3.43Å; N100-E132 PolarHBondContact ND2-OE2 3.39Å; N100-E132 PolarHBondContact OD1-OE1 3.14Å; N100-E132 VanDerWaalsContact OD1-OE1 3.12Å
101	F	93.3	Very high	93.7	Very high	143 Å²	143	44.2 Å²	44.2	63%	0.627	25%	0.25	S	C	*	.	H	α-helix	trans	-69	-55.8	-180	-176.4	-95.2	0	0	0	111.9	Q99 E103 G104 L105	Q99-F101 PolarHBondContact O-N 3.22Å; Q99-F101 VanDerWaalsContact O-N 3.07Å; F101-E103 VanDerWaalsContact C-N 3.28Å; F101-E103 PolarHBondContact O-N 2.96Å; F101-G104 PolarHBondContact O-N 3.07Å; F101-L105 HydrophobicContact CD1-CD1 3.95Å; F101-L105 HydrophobicContact CE1-CD1 3.49Å; F101-L105 VanDerWaalsContact CE1-CD1 3.49Å; F101-L105 HydrophobicContact CE1-CG 4.3Å; F101-L105 HydrophobicContact CZ-CD1 3.97Å; F101-L105 HydrophobicContact CZ-CG 4.45Å; F101-L105 WeakPolarHBondContact O-CG 3.39Å; F101-L105 PolarHBondContact O-N 2.76Å
102	P	92.4	Very high	93.7	Very high	64 Å²	64	48.5 Å²	48.5	42%	0.416	26%	0.264	S	S	.	.	H	α-helix	trans	-50.2	-41.1	166.4	-29.7	33.7	0	0	0	114.8	I98 Q99 L105 A106	I98-P102 WeakPolarHBondContact O-CD 3.46Å; Q99-P102 WeakPolarHBondContact O-CD 3.44Å; P102-L105 PolarHBondContact O-N 2.88Å; P102-A106 WeakPolarHBondContact O-CB 3.21Å; P102-A106 PolarHBondContact O-N 2.99Å
103	E	92.3	Very high	93.5	Very high	22 Å²	22	49.8 Å²	49.8	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-66.8	-45.7	179	-68.5	-175	158.5	0	0	113	I60 H63 N64 Q99 F101 L105 A106 V107 M161	I60-E103 HydrophobicContact CG2-CB 4.19Å; H63-E103 IonicContact CD2-OE1 3.65Å; N64-E103 PolarHBondContact ND2-OE2 3.42Å; N64-E103 PolarHBondContact OD1-OE2 3.09Å; N64-E103 VanDerWaalsContact OD1-OE2 3.09Å; Q99-E103 WeakPolarHBondContact O-CG 3.33Å; Q99-E103 PolarHBondContact O-N 2.9Å; Q99-E103 VanDerWaalsContact O-N 3.15Å; F101-E103 VanDerWaalsContact C-N 3.28Å; F101-E103 PolarHBondContact O-N 2.96Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 2.98Å; E103-A106 WeakPolarHBondContact O-CA 3.15Å; E103-A106 WeakPolarHBondContact O-CB 3.48Å; E103-A106 PolarHBondContact O-N 2.8Å; E103-V107 PolarHBondContact O-N 3.3Å; E103-V107 VanDerWaalsContact O-N 3.13Å; E103-M161 WeakPolarHBondContact OE1-CE 3.47Å
104	G	95.1	Very high	93.3	Very high	7 Å²	7	51 Å²	51	7%	0.072	29%	0.287	C	S	.	.	H	α-helix	trans	-59	-41.3	174.7	0	0	0	0	0	111.1	N100 F101 A106 V107 S108	N100-G104 PolarHBondContact O-N 3.46Å; F101-G104 PolarHBondContact O-N 3.07Å; G104-A106 VanDerWaalsContact C-N 3.34Å; G104-V107 PolarHBondContact O-N 3.3Å; G104-S108 WeakPolarHBondContact O-CB 3.27Å; G104-S108 PolarHBondContact O-N 3.47Å; G104-S108 PolarHBondContact O-OG 2.95Å; G104-S108 VanDerWaalsContact O-OG 3.07Å
105	L	94.1	Very high	93.1	Very high	69 Å²	69	49 Å²	49	36%	0.361	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-36.7	173	-72.2	178.5	0	0	0	112.8	F101 P102 E103 V107 S108 L109	F101-L105 HydrophobicContact CD1-CD1 3.95Å; F101-L105 HydrophobicContact CE1-CD1 3.49Å; F101-L105 VanDerWaalsContact CE1-CD1 3.49Å; F101-L105 HydrophobicContact CE1-CG 4.3Å; F101-L105 HydrophobicContact CZ-CD1 3.97Å; F101-L105 HydrophobicContact CZ-CG 4.45Å; F101-L105 WeakPolarHBondContact O-CG 3.39Å; F101-L105 PolarHBondContact O-N 2.76Å; P102-L105 PolarHBondContact O-N 2.88Å; E103-L105 VanDerWaalsContact C-N 3.26Å; E103-L105 PolarHBondContact O-N 2.98Å; L105-V107 PolarHBondContact O-N 3.19Å; L105-S108 PolarHBondContact O-N 3.21Å; L105-L109 HydrophobicContact CB-CD1 4.17Å; L105-L109 WeakPolarHBondContact O-CB 3.43Å; L105-L109 PolarHBondContact O-N 3.37Å
106	A	93	Very high	92.9	Very high	36 Å²	36	49.7 Å²	49.7	30%	0.298	29%	0.292	S	S	.	.	H	α-helix	trans	-62.8	-27	176	0	0	0	0	0	112.1	L56 I60 P102 E103 G104 P110	L56-A106 WeakPolarHBondContact CD2-O 3.19Å; I60-A106 HydrophobicContact CD1-CB 4.23Å; P102-A106 WeakPolarHBondContact O-CB 3.21Å; P102-A106 PolarHBondContact O-N 2.99Å; E103-A106 WeakPolarHBondContact O-CA 3.15Å; E103-A106 WeakPolarHBondContact O-CB 3.48Å; E103-A106 PolarHBondContact O-N 2.8Å; G104-A106 VanDerWaalsContact C-N 3.34Å; A106-P110 WeakPolarHBondContact O-CD 3.47Å; A106-P110 WeakPolarHBondContact O-CG 3.27Å
107	V	94.2	Very high	92.9	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	31%	0.305	C	S	.	.	H	α-helix	trans	-83	-48.8	169.7	178.2	0	0	0	0	111.8	I57 I60 E103 G104 L105 P110 L111	I57-V107 HydrophobicContact CD1-CG1 4.45Å; I57-V107 HydrophobicContact CG1-CG1 3.64Å; I60-V107 HydrophobicContact CB-CG2 4.34Å; I60-V107 HydrophobicContact CD1-CG2 3.43Å; I60-V107 VanDerWaalsContact CD1-CG2 3.43Å; I60-V107 HydrophobicContact CG1-CG2 4.43Å; I60-V107 HydrophobicContact CG2-CG2 4.37Å; E103-V107 PolarHBondContact O-N 3.3Å; E103-V107 VanDerWaalsContact O-N 3.13Å; G104-V107 PolarHBondContact O-N 3.3Å; L105-V107 PolarHBondContact O-N 3.19Å; V107-P110 WeakPolarHBondContact O-CD 3.35Å; V107-L111 PolarHBondContact O-N 3.3Å
108	S	96.2	Very high	92.9	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-68.8	-39.8	-170.6	-63.6	0	0	0	0	113.7	G104 L105 Y112 S121 F122	G104-S108 WeakPolarHBondContact O-CB 3.27Å; G104-S108 PolarHBondContact O-N 3.47Å; G104-S108 PolarHBondContact O-OG 2.95Å; G104-S108 VanDerWaalsContact O-OG 3.07Å; L105-S108 PolarHBondContact O-N 3.21Å; S108-Y112 WeakPolarHBondContact O-CB 3.31Å; S108-Y112 PolarHBondContact O-N 3.13Å; S108-S121 WeakPolarHBondContact CA-O 3.35Å; S108-S121 WeakPolarHBondContact CB-O 3.25Å; S108-S121 WeakPolarHBondContact O-CB 3.4Å; S108-S121 PolarHBondContact OG-O 3.4Å; S108-F122 WeakPolarHBondContact OG-CA 3.31Å
109	L	94.2	Very high	93.1	Very high	106 Å²	106	57.6 Å²	57.6	56%	0.555	32%	0.322	S	S	*	.	H	α-helix	trans	-67.7	-48	-177.1	-75.1	163	0	0	0	112.3	L105 L111 Y112 S113	L105-L109 HydrophobicContact CB-CD1 4.17Å; L105-L109 WeakPolarHBondContact O-CB 3.43Å; L105-L109 PolarHBondContact O-N 3.37Å; L109-L111 PolarHBondContact O-N 3.49Å; L109-Y112 PolarHBondContact O-N 2.99Å; L109-S113 WeakPolarHBondContact O-CB 3.49Å; L109-S113 PolarHBondContact O-N 3.22Å
110	P	91.5	Very high	93.1	Very high	34 Å²	34	59.7 Å²	59.7	22%	0.221	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-41.3	175	-28.3	39.4	0	0	0	113	L53 L56 A106 V107 S113 A114	L53-P110 HydrophobicContact CD2-CB 3.51Å; L56-P110 HydrophobicContact CD2-CB 4.45Å; L56-P110 HydrophobicContact CD2-CG 4.18Å; A106-P110 WeakPolarHBondContact O-CD 3.47Å; A106-P110 WeakPolarHBondContact O-CG 3.27Å; V107-P110 WeakPolarHBondContact O-CD 3.35Å; P110-S113 WeakPolarHBondContact CA-OG 3.33Å; P110-S113 PolarHBondContact O-N 2.92Å; P110-S113 PolarHBondContact O-OG 3.45Å; P110-A114 WeakPolarHBondContact O-CB 3.49Å; P110-A114 PolarHBondContact O-N 3.46Å
111	L	92.6	Very high	93.3	Very high	1 Å²	1	58 Å²	58	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-46.9	176.5	-129.3	74.6	0	0	0	111.3	I49 L53 I57 V107 L109 S113 A114 Y116 Y124	I49-L111 HydrophobicContact CG2-CD1 4.49Å; L53-L111 HydrophobicContact CB-CD1 4.07Å; L53-L111 HydrophobicContact CD1-CD1 3.97Å; L53-L111 HydrophobicContact CD2-CD1 4.09Å; L53-L111 HydrophobicContact CG-CD1 4.25Å; I57-L111 HydrophobicContact CD1-CD1 3.99Å; V107-L111 PolarHBondContact O-N 3.3Å; L109-L111 PolarHBondContact O-N 3.49Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 2.87Å; L111-A114 WeakPolarHBondContact O-CB 3.5Å; L111-A114 PolarHBondContact O-N 2.85Å; L111-A114 VanDerWaalsContact O-N 3.12Å; L111-Y116 HydrophobicContact CD2-CG 4.37Å; L111-Y116 HydrophobicContact CG-CD2 3.87Å; L111-Y116 HydrophobicContact CG-CE2 4.37Å; L111-Y116 HydrophobicContact CG-CG 4.04Å; L111-Y116 WeakPolarHBondContact O-CB 3.18Å; L111-Y116 VanDerWaalsContact O-CD2 3.29Å; L111-Y116 WeakPolarHBondContact O-CD2 3.45Å; L111-Y116 PolarHBondContact O-N 3.35Å; L111-Y124 HydrophobicContact CD2-CD1 4.49Å; L111-Y124 HydrophobicContact CD2-CD2 3.42Å; L111-Y124 VanDerWaalsContact CD2-CD2 3.42Å; L111-Y124 HydrophobicContact CD2-CE2 4.17Å; L111-Y124 HydrophobicContact CD2-CG 3.63Å
112	Y	94.6	Very high	93.4	Very high	133 Å²	133	55.5 Å²	55.5	52%	0.522	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-41.3	176.4	-178.6	-111.9	0	0	0	111.4	S108 L109 A114 G115 Y116 F118 S121	S108-Y112 WeakPolarHBondContact O-CB 3.31Å; S108-Y112 PolarHBondContact O-N 3.13Å; L109-Y112 PolarHBondContact O-N 2.99Å; Y112-A114 PolarHBondContact O-N 3.48Å; Y112-G115 PolarHBondContact O-N 3.04Å; Y112-Y116 VanDerWaalsContact CD2-O 3.31Å; Y112-Y116 WeakPolarHBondContact CD2-O 3.12Å; Y112-F118 HydrophobicContact CD2-CB 4.39Å; Y112-F118 HydrophobicContact CE2-CB 4.19Å; Y112-S121 WeakPolarHBondContact CA-OG 3.41Å; Y112-S121 PolarHBondContact N-OG 2.89Å
113	S	90.2	Very high	93.6	Very high	69 Å²	69	59.8 Å²	59.8	48%	0.483	32%	0.322	S	S	.	.	H	α-helix	trans	-65.3	-25.3	176.9	83.9	0	0	0	0	113.6	L109 P110 L111 G115	L109-S113 WeakPolarHBondContact O-CB 3.49Å; L109-S113 PolarHBondContact O-N 3.22Å; P110-S113 WeakPolarHBondContact CA-OG 3.33Å; P110-S113 PolarHBondContact O-N 2.92Å; P110-S113 PolarHBondContact O-OG 3.45Å; L111-S113 VanDerWaalsContact C-N 3.3Å; L111-S113 PolarHBondContact O-N 2.87Å; S113-G115 PolarHBondContact O-N 3.25Å
114	A	89.1	Confident	93.7	Very high	54 Å²	54	62.1 Å²	62.1	45%	0.446	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	1.1	175.1	0	0	0	0	0	113.3	L53 P110 L111 Y112 Y116	L53-A114 HydrophobicContact CD1-CB 3.78Å; P110-A114 WeakPolarHBondContact O-CB 3.49Å; P110-A114 PolarHBondContact O-N 3.46Å; L111-A114 WeakPolarHBondContact O-CB 3.5Å; L111-A114 PolarHBondContact O-N 2.85Å; L111-A114 VanDerWaalsContact O-N 3.12Å; Y112-A114 PolarHBondContact O-N 3.48Å; A114-Y116 HydrophobicContact CB-CD2 4.18Å; A114-Y116 HydrophobicContact CB-CE2 4.35Å
115	G	90.6	Very high	93.7	Very high	52 Å²	52	61.9 Å²	61.9	54%	0.536	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	3.9	175.9	0	0	0	0	0	114.8	Y112 S113	Y112-G115 PolarHBondContact O-N 3.04Å; S113-G115 PolarHBondContact O-N 3.25Å
116	Y	90.4	Very high	93.8	Very high	17 Å²	17	62.9 Å²	62.9	7%	0.067	33%	0.331	C	S	.	.			trans	-69.1	148.2	172.3	-70	-96.3	0	0	0	110.6	M47 V48 I49 L111 Y112 A114 I120 S121	M47-Y116 HydrophobicContact CB-CD1 4.43Å; M47-Y116 HydrophobicContact CB-CE1 3.72Å; M47-Y116 HydrophobicContact CB-CE2 4.42Å; M47-Y116 HydrophobicContact CE-CD1 3.82Å; M47-Y116 HydrophobicContact CE-CE1 4.16Å; M47-Y116 HydrophobicContact CE-CG 4.32Å; M47-Y116 PolarHBondContact O-OH 3.23Å; V48-Y116 PolarHBondContact O-OH 2.92Å; I49-Y116 WeakPolarHBondContact CA-OH 3.33Å; I49-Y116 HydrophobicContact CG1-CE1 4.04Å; I49-Y116 HydrophobicContact CG1-CE2 4.28Å; I49-Y116 WeakPolarHBondContact CG1-OH 3.47Å; I49-Y116 PolarHBondContact N-OH 2.91Å; L111-Y116 HydrophobicContact CD2-CG 4.37Å; L111-Y116 HydrophobicContact CG-CD2 3.87Å; L111-Y116 HydrophobicContact CG-CE2 4.37Å; L111-Y116 HydrophobicContact CG-CG 4.04Å; L111-Y116 WeakPolarHBondContact O-CB 3.18Å; L111-Y116 VanDerWaalsContact O-CD2 3.29Å; L111-Y116 WeakPolarHBondContact O-CD2 3.45Å; L111-Y116 PolarHBondContact O-N 3.35Å; Y112-Y116 VanDerWaalsContact CD2-O 3.31Å; Y112-Y116 WeakPolarHBondContact CD2-O 3.12Å; A114-Y116 HydrophobicContact CB-CD2 4.18Å; A114-Y116 HydrophobicContact CB-CE2 4.35Å; Y116-I120 HydrophobicContact CD1-CG2 4.16Å; Y116-S121 WeakPolarHBondContact CB-OG 3.32Å
117	G	93.4	Very high	93.9	Very high	35 Å²	35	65.5 Å²	65.5	36%	0.361	34%	0.339	S	S	.	.			trans	-60.1	152.8	175.8	0	0	0	0	0	112.2	F119 I120 S121	G117-F119 PolarHBondContact O-N 2.85Å; G117-I120 PolarHBondContact O-N 3.27Å; G117-S121 WeakPolarHBondContact O-CB 3.25Å; G117-S121 PolarHBondContact O-N 3.35Å; G117-S121 PolarHBondContact O-OG 3.22Å
118	F	95.3	Very high	93.8	Very high	130 Å²	130	65.6 Å²	65.6	57%	0.57	34%	0.34	S	S	*	.	H	α-helix	trans	-52.9	-52.8	-179.8	174.8	-100.6	0	0	0	112.3	Y112 I120 S121 F122	Y112-F118 HydrophobicContact CD2-CB 4.39Å; Y112-F118 HydrophobicContact CE2-CB 4.19Å; F118-I120 PolarHBondContact O-N 3.16Å; F118-S121 PolarHBondContact O-N 3.03Å; F118-F122 WeakPolarHBondContact O-CB 3.44Å; F118-F122 PolarHBondContact O-N 3.15Å
119	F	96	Very high	93.8	Very high	150 Å²	150	65.9 Å²	65.9	66%	0.658	34%	0.344	S	S	*	.	H	α-helix	trans	-64.3	-37.9	-178.8	-69.1	-73.5	0	0	0	113.2	G117 W123	G117-F119 PolarHBondContact O-N 2.85Å; F119-W123 WeakPolarHBondContact O-CB 3.48Å; F119-W123 PolarHBondContact O-N 3.43Å
120	I	94.1	Very high	93.8	Very high	81 Å²	81	65.1 Å²	65.1	42%	0.415	34%	0.341	S	S	.	.	H	α-helix	trans	-64.5	-49.1	177.8	-63.5	172.8	0	0	0	109	Y116 G117 F118 F122 W123 Y124	Y116-I120 HydrophobicContact CD1-CG2 4.16Å; G117-I120 PolarHBondContact O-N 3.27Å; F118-I120 PolarHBondContact O-N 3.16Å; I120-F122 PolarHBondContact O-N 3.15Å; I120-W123 PolarHBondContact O-N 2.99Å; I120-Y124 HydrophobicContact CG2-CD2 3.79Å; I120-Y124 HydrophobicContact CG2-CE2 3.68Å; I120-Y124 VanDerWaalsContact O-CD2 3.27Å; I120-Y124 WeakPolarHBondContact O-CD2 3.21Å; I120-Y124 PolarHBondContact O-N 3.12Å
121	S	95.7	Very high	94.1	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.014	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-42.7	-179.5	-51.1	0	0	0	0	112.3	S108 Y112 Y116 G117 F118 Y124 G125	S108-S121 WeakPolarHBondContact CA-O 3.35Å; S108-S121 WeakPolarHBondContact CB-O 3.25Å; S108-S121 WeakPolarHBondContact O-CB 3.4Å; S108-S121 PolarHBondContact OG-O 3.4Å; Y112-S121 WeakPolarHBondContact CA-OG 3.41Å; Y112-S121 PolarHBondContact N-OG 2.89Å; Y116-S121 WeakPolarHBondContact CB-OG 3.32Å; G117-S121 WeakPolarHBondContact O-CB 3.25Å; G117-S121 PolarHBondContact O-N 3.35Å; G117-S121 PolarHBondContact O-OG 3.22Å; F118-S121 PolarHBondContact O-N 3.03Å; S121-Y124 PolarHBondContact O-N 2.92Å; S121-G125 PolarHBondContact O-N 2.96Å
122	F	96.3	Very high	94.2	Very high	91 Å²	91	66.1 Å²	66.1	40%	0.399	34%	0.344	S	S	.	.	H	α-helix	trans	-60.3	-48.9	173.3	177.9	-100.9	0	0	0	111.6	S108 F118 I120 Y124 G125 Q126	S108-F122 WeakPolarHBondContact OG-CA 3.31Å; F118-F122 WeakPolarHBondContact O-CB 3.44Å; F118-F122 PolarHBondContact O-N 3.15Å; I120-F122 PolarHBondContact O-N 3.15Å; F122-Y124 VanDerWaalsContact C-N 3.33Å; F122-Y124 PolarHBondContact O-N 3.03Å; F122-G125 PolarHBondContact O-N 3.04Å; F122-G125 VanDerWaalsContact O-N 3.09Å; F122-Q126 HydrophobicContact CD1-CG 4.04Å; F122-Q126 HydrophobicContact CE1-CG 3.55Å; F122-Q126 HydrophobicContact CE2-CG 4.17Å; F122-Q126 HydrophobicContact CZ-CG 3.62Å; F122-Q126 WeakPolarHBondContact O-CG 3.4Å; F122-Q126 PolarHBondContact O-N 3.4Å
123	W	96.1	Very high	94.3	Very high	153 Å²	153	64 Å²	64	58%	0.58	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-39	179	-91.1	113	0	0	0	112.9	F119 I120 G125 Q126 L127	F119-W123 WeakPolarHBondContact O-CB 3.48Å; F119-W123 PolarHBondContact O-N 3.43Å; I120-W123 PolarHBondContact O-N 2.99Å; W123-G125 VanDerWaalsContact C-N 3.3Å; W123-G125 PolarHBondContact O-N 3.34Å; W123-Q126 HydrophobicContact CE3-CB 4.31Å; W123-Q126 PolarHBondContact O-N 3.48Å; W123-L127 WeakPolarHBondContact O-CB 3.3Å; W123-L127 WeakPolarHBondContact O-CG 3.46Å; W123-L127 PolarHBondContact O-N 3.42Å
124	Y	94.4	Very high	94.6	Very high	71 Å²	71	66.9 Å²	66.9	28%	0.278	35%	0.351	S	S	.	.	H	α-helix	trans	-60.9	-38.6	174.4	-88.8	-80.8	0	0	0	112.7	I49 I57 L111 I120 S121 F122 L127 S128	I49-Y124 HydrophobicContact CD1-CE1 3.96Å; I49-Y124 HydrophobicContact CD1-CE2 4.41Å; I57-Y124 HydrophobicContact CD1-CD1 4Å; I57-Y124 HydrophobicContact CD1-CE1 4.49Å; L111-Y124 HydrophobicContact CD2-CD1 4.49Å; L111-Y124 HydrophobicContact CD2-CD2 3.42Å; L111-Y124 VanDerWaalsContact CD2-CD2 3.42Å; L111-Y124 HydrophobicContact CD2-CE2 4.17Å; L111-Y124 HydrophobicContact CD2-CG 3.63Å; I120-Y124 HydrophobicContact CG2-CD2 3.79Å; I120-Y124 HydrophobicContact CG2-CE2 3.68Å; I120-Y124 VanDerWaalsContact O-CD2 3.27Å; I120-Y124 WeakPolarHBondContact O-CD2 3.21Å; I120-Y124 PolarHBondContact O-N 3.12Å; S121-Y124 PolarHBondContact O-N 2.92Å; F122-Y124 VanDerWaalsContact C-N 3.33Å; F122-Y124 PolarHBondContact O-N 3.03Å; Y124-L127 PolarHBondContact O-N 3.09Å; Y124-S128 PolarHBondContact O-N 3.44Å
125	G	95.5	Very high	95	Very high	2 Å²	2	64.5 Å²	64.5	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-70	-32.6	174.1	0	0	0	0	0	113.4	S121 F122 W123 S128	S121-G125 PolarHBondContact O-N 2.96Å; F122-G125 PolarHBondContact O-N 3.04Å; F122-G125 VanDerWaalsContact O-N 3.09Å; W123-G125 VanDerWaalsContact C-N 3.3Å; W123-G125 PolarHBondContact O-N 3.34Å; G125-S128 PolarHBondContact O-OG 2.95Å
126	Q	95.9	Very high	95.3	Very high	91 Å²	91	62.5 Å²	62.5	43%	0.425	31%	0.311	S	S	.	.	H	α-helix	trans	-71.8	-37.8	172.3	-63	-57.2	-75.6	0	0	112	F122 W123 S128 G129 L130	F122-Q126 HydrophobicContact CD1-CG 4.04Å; F122-Q126 HydrophobicContact CE1-CG 3.55Å; F122-Q126 HydrophobicContact CE2-CG 4.17Å; F122-Q126 HydrophobicContact CZ-CG 3.62Å; F122-Q126 WeakPolarHBondContact O-CG 3.4Å; F122-Q126 PolarHBondContact O-N 3.4Å; W123-Q126 HydrophobicContact CE3-CB 4.31Å; W123-Q126 PolarHBondContact O-N 3.48Å; Q126-S128 VanDerWaalsContact C-N 3.31Å; Q126-S128 PolarHBondContact O-N 2.85Å; Q126-G129 PolarHBondContact O-N 3.36Å; Q126-L130 WeakPolarHBondContact O-CB 3.36Å; Q126-L130 PolarHBondContact O-N 2.95Å
127	L	94.6	Very high	95.6	Very high	90 Å²	90	66.8 Å²	66.8	47%	0.471	33%	0.334	S	S	.	.	H	α-helix	trans	-65.6	-33.3	179.8	-75.9	170.1	0	0	0	112.3	W123 Y124 G129 L130	W123-L127 WeakPolarHBondContact O-CB 3.3Å; W123-L127 WeakPolarHBondContact O-CG 3.46Å; W123-L127 PolarHBondContact O-N 3.42Å; Y124-L127 PolarHBondContact O-N 3.09Å; L127-G129 VanDerWaalsContact C-N 3.33Å; L127-L130 HydrophobicContact CD2-CD2 4.24Å; L127-L130 PolarHBondContact O-N 3.38Å
128	S	94.2	Very high	95.8	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.021	34%	0.338	C	S	.	.	H	α-helix	trans	-65.7	-35.8	175.3	57.5	0	0	0	0	112.5	T61 Y124 G125 Q126 V131	T61-S128 WeakPolarHBondContact OG1-CB 3.41Å; Y124-S128 PolarHBondContact O-N 3.44Å; G125-S128 PolarHBondContact O-OG 2.95Å; Q126-S128 VanDerWaalsContact C-N 3.31Å; Q126-S128 PolarHBondContact O-N 2.85Å; S128-V131 VanDerWaalsContact O-CG1 3.27Å; S128-V131 WeakPolarHBondContact O-CG1 2.97Å
129	G	94.8	Very high	95.8	Very high	18 Å²	18	63 Å²	63	19%	0.186	31%	0.311	C	S	.	.	H	α-helix	trans	-85.3	-20.7	176.4	0	0	0	0	0	114.5	Q126 L127 V131 E132	Q126-G129 PolarHBondContact O-N 3.36Å; L127-G129 VanDerWaalsContact C-N 3.33Å; G129-V131 PolarHBondContact O-N 2.68Å; G129-E132 PolarHBondContact O-N 3Å
130	L	95.6	Very high	95.8	Very high	91 Å²	91	58.5 Å²	58.5	48%	0.476	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.1	180	-170.4	63.8	0	0	0	112.8	Q126 L127 E132 P133 F134	Q126-L130 WeakPolarHBondContact O-CB 3.36Å; Q126-L130 PolarHBondContact O-N 2.95Å; L127-L130 HydrophobicContact CD2-CD2 4.24Å; L127-L130 PolarHBondContact O-N 3.38Å; L130-E132 VanDerWaalsContact C-N 3.27Å; L130-E132 PolarHBondContact O-N 3.26Å; L130-P133 WeakPolarHBondContact O-CD 3.42Å; L130-F134 HydrophobicContact CG-CE2 4.11Å; L130-F134 WeakPolarHBondContact O-CD2 3.46Å
131	V	96	Very high	95.8	Very high	33 Å²	33	61.4 Å²	61.4	20%	0.2	31%	0.313	C	S	.	.	H	α-helix	trans	-67.7	-25.4	174.3	73.1	0	0	0	0	113	T61 N64 I65 S128 G129 F134 A135	T61-V131 HydrophobicContact CG2-CB 4.49Å; T61-V131 HydrophobicContact CG2-CG1 4.35Å; N64-V131 HydrophobicContact CB-CG1 3.71Å; I65-V131 HydrophobicContact CD1-CG2 4.06Å; I65-V131 HydrophobicContact CG1-CB 4.39Å; I65-V131 HydrophobicContact CG1-CG1 4.09Å; I65-V131 HydrophobicContact CG1-CG2 3.4Å; S128-V131 VanDerWaalsContact O-CG1 3.27Å; S128-V131 WeakPolarHBondContact O-CG1 2.97Å; G129-V131 PolarHBondContact O-N 2.68Å; V131-F134 PolarHBondContact O-N 3.43Å; V131-A135 WeakPolarHBondContact O-CB 3.47Å; V131-A135 PolarHBondContact O-N 3.46Å
132	E	95.9	Very high	95.8	Very high	22 Å²	22	63.1 Å²	63.1	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-46.8	-174	-60.9	163.1	-142	0	0	113.6	N64 G68 N100 G129 L130 F134 A135 G136	N64-E132 HydrophobicContact CB-CG 3.68Å; N64-E132 PolarHBondContact ND2-OE1 3.18Å; N64-E132 WeakPolarHBondContact O-CG 3.31Å; G68-E132 WeakPolarHBondContact CA-O 3.44Å; N100-E132 PolarHBondContact ND2-OE1 3.43Å; N100-E132 PolarHBondContact ND2-OE2 3.39Å; N100-E132 PolarHBondContact OD1-OE1 3.14Å; N100-E132 VanDerWaalsContact OD1-OE1 3.12Å; G129-E132 PolarHBondContact O-N 3Å; L130-E132 VanDerWaalsContact C-N 3.27Å; L130-E132 PolarHBondContact O-N 3.26Å; E132-F134 PolarHBondContact O-N 2.65Å; E132-A135 PolarHBondContact O-N 2.88Å; E132-G136 PolarHBondContact O-N 2.85Å
133	P	96.6	Very high	95.6	Very high	88 Å²	88	59 Å²	59	57%	0.571	31%	0.309	S	S	*	.	H	α-helix	trans	-59.1	-35.6	176.6	-25.6	36.4	0	0	0	112.5	L130 L137	L130-P133 WeakPolarHBondContact O-CD 3.42Å; P133-L137 WeakPolarHBondContact O-CB 3.14Å; P133-L137 PolarHBondContact O-N 3.44Å
134	F	96.9	Very high	95.3	Very high	130 Å²	130	57.7 Å²	57.7	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-68.7	-47.7	175.9	-66.7	-73.6	0	0	0	111.6	L130 V131 E132 G136 L137 I138	L130-F134 HydrophobicContact CG-CE2 4.11Å; L130-F134 WeakPolarHBondContact O-CD2 3.46Å; V131-F134 PolarHBondContact O-N 3.43Å; E132-F134 PolarHBondContact O-N 2.65Å; F134-G136 VanDerWaalsContact C-N 3.32Å; F134-G136 PolarHBondContact O-N 3.27Å; F134-L137 PolarHBondContact O-N 3.23Å; F134-I138 WeakPolarHBondContact O-CG1 3.42Å; F134-I138 PolarHBondContact O-N 3.5Å; F134-I138 VanDerWaalsContact O-N 3.09Å
135	A	96.7	Very high	95.2	Very high	5 Å²	5	60.9 Å²	60.9	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-41	175.6	0	0	0	0	0	111.1	I65 F69 V131 E132 I138 G139	I65-A135 HydrophobicContact CG2-CB 4.39Å; I65-A135 WeakPolarHBondContact O-CB 3.1Å; F69-A135 HydrophobicContact CD1-CB 3.98Å; F69-A135 WeakPolarHBondContact CD1-O 3.44Å; F69-A135 HydrophobicContact CE1-CB 3.92Å; F69-A135 WeakPolarHBondContact CE1-O 3.45Å; F69-A135 HydrophobicContact CG-CB 4.44Å; F69-A135 HydrophobicContact CZ-CB 4.39Å; V131-A135 WeakPolarHBondContact O-CB 3.47Å; V131-A135 PolarHBondContact O-N 3.46Å; E132-A135 PolarHBondContact O-N 2.88Å; A135-I138 CarbonylContact O-C 3.59Å; A135-I138 PolarHBondContact O-N 2.91Å; A135-G139 PolarHBondContact O-N 2.84Å
136	G	97	Very high	95	Very high	10 Å²	10	62.2 Å²	62.2	10%	0.103	33%	0.33	C	S	.	.	H	α-helix	trans	-65	-39	176.9	0	0	0	0	0	113.5	G68 G72 E132 F134 I138 G139 C140	G68-G136 WeakPolarHBondContact O-CA 3.47Å; G68-G136 PolarHBondContact O-N 3.38Å; G72-G136 WeakPolarHBondContact CA-O 3.29Å; E132-G136 PolarHBondContact O-N 2.85Å; F134-G136 VanDerWaalsContact C-N 3.32Å; F134-G136 PolarHBondContact O-N 3.27Å; G136-I138 VanDerWaalsContact C-N 3.35Å; G136-I138 PolarHBondContact O-N 2.89Å; G136-G139 PolarHBondContact O-N 3Å; G136-C140 VanDerWaalsContact O-CB 3.26Å; G136-C140 WeakPolarHBondContact O-CB 3.21Å; G136-C140 PolarHBondContact O-N 2.9Å
137	L	97.4	Very high	94.7	Very high	107 Å²	107	63 Å²	63	56%	0.56	33%	0.33	S	S	*	.	H	α-helix	trans	-61	-45.7	171.5	-178.4	60.2	0	0	0	111.3	P133 F134 C140 L141	P133-L137 WeakPolarHBondContact O-CB 3.14Å; P133-L137 PolarHBondContact O-N 3.44Å; F134-L137 PolarHBondContact O-N 3.23Å; L137-C140 PolarHBondContact O-N 3.02Å; L137-L141 HydrophobicContact CD1-CD1 4.36Å; L137-L141 HydrophobicContact CG-CD1 4.28Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.33Å; L137-L141 VanDerWaalsContact O-N 3.09Å
138	I	96.7	Very high	94.6	Very high	86 Å²	86	67.5 Å²	67.5	44%	0.441	34%	0.34	S	S	.	.	H	α-helix	trans	-63.6	-43.9	177.5	-67.4	166.2	0	0	0	111.1	F69 F134 A135 G136 C140 L141 A142 F146	F69-I138 HydrophobicContact CE1-CB 4.07Å; F69-I138 HydrophobicContact CE1-CG2 3.85Å; F134-I138 WeakPolarHBondContact O-CG1 3.42Å; F134-I138 PolarHBondContact O-N 3.5Å; F134-I138 VanDerWaalsContact O-N 3.09Å; A135-I138 CarbonylContact O-C 3.59Å; A135-I138 PolarHBondContact O-N 2.91Å; G136-I138 VanDerWaalsContact C-N 3.35Å; G136-I138 PolarHBondContact O-N 2.89Å; I138-C140 VanDerWaalsContact C-N 3.33Å; I138-C140 PolarHBondContact O-N 3.47Å; I138-L141 PolarHBondContact O-N 3.37Å; I138-A142 PolarHBondContact O-N 3.32Å; I138-F146 HydrophobicContact CG2-CD2 4.45Å; I138-F146 HydrophobicContact CG2-CE2 3.47Å; I138-F146 VanDerWaalsContact CG2-CE2 3.47Å; I138-F146 HydrophobicContact CG2-CZ 3.67Å
139	G	95.9	Very high	94.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-39.1	177.8	0	0	0	0	0	112.5	A135 G136 A142 V143	A135-G139 PolarHBondContact O-N 2.84Å; G136-G139 PolarHBondContact O-N 3Å; G139-A142 CarbonylContact O-C 3.58Å; G139-A142 PolarHBondContact O-N 3.44Å; G139-V143 WeakPolarHBondContact O-CA 3.33Å; G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.34Å
140	C	94.9	Very high	94.3	Very high	54 Å²	54	72 Å²	72	37%	0.365	36%	0.358	S	S	.	.	H	α-helix	trans	-65.8	-38.3	175.2	-177.1	0	0	0	0	112.5	G72 G136 L137 I138 V143	G72-C140 VanDerWaalsContact O-CA 3.26Å; G72-C140 WeakPolarHBondContact O-CA 3.47Å; G136-C140 VanDerWaalsContact O-CB 3.26Å; G136-C140 WeakPolarHBondContact O-CB 3.21Å; G136-C140 PolarHBondContact O-N 2.9Å; L137-C140 PolarHBondContact O-N 3.02Å; I138-C140 VanDerWaalsContact C-N 3.33Å; I138-C140 PolarHBondContact O-N 3.47Å; C140-V143 VanDerWaalsContact O-CG2 3.27Å; C140-V143 WeakPolarHBondContact O-CG2 3.43Å
141	L	95.5	Very high	94.2	Very high	143 Å²	143	71.5 Å²	71.5	75%	0.749	36%	0.36	S	S	*	.	H	α-helix	trans	-75.6	-28.4	178.8	-68.4	170	0	0	0	113.1	L137 I138	L137-L141 HydrophobicContact CD1-CD1 4.36Å; L137-L141 HydrophobicContact CG-CD1 4.28Å; L137-L141 WeakPolarHBondContact O-CG 3.28Å; L137-L141 PolarHBondContact O-N 3.33Å; L137-L141 VanDerWaalsContact O-N 3.09Å; I138-L141 PolarHBondContact O-N 3.37Å
142	A	94.3	Very high	94.1	Very high	37 Å²	37	78 Å²	78	31%	0.306	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	40.8	-172.1	0	0	0	0	0	113.6	I138 G139 H144 F145 F146	I138-A142 PolarHBondContact O-N 3.32Å; G139-A142 CarbonylContact O-C 3.58Å; G139-A142 PolarHBondContact O-N 3.44Å; A142-H144 VanDerWaalsContact C-N 3.31Å; A142-H144 PolarHBondContact O-N 3.04Å; A142-F145 PolarHBondContact O-N 2.86Å; A142-F145 VanDerWaalsContact O-N 3.12Å; A142-F146 HydrophobicContact CB-CD2 3.66Å; A142-F146 HydrophobicContact CB-CE2 3.72Å; A142-F146 WeakPolarHBondContact O-CD2 3.31Å; A142-F146 PolarHBondContact O-N 3.24Å; A142-F146 VanDerWaalsContact O-N 3.09Å
143	V	92.8	Very high	94	Very high	5 Å²	5	78.1 Å²	78.1	3%	0.03	39%	0.387	C	S	.	.	H	α-helix	trans	-47.8	-46.9	-175.8	-176.4	0	0	0	0	113.3	I73 Y81 G139 C140 F145 R147	I73-V143 HydrophobicContact CG2-CG1 4.14Å; Y81-V143 HydrophobicContact CE2-CG1 3.87Å; G139-V143 WeakPolarHBondContact O-CA 3.33Å; G139-V143 WeakPolarHBondContact O-CG2 3.31Å; G139-V143 PolarHBondContact O-N 3.34Å; C140-V143 VanDerWaalsContact O-CG2 3.27Å; C140-V143 WeakPolarHBondContact O-CG2 3.43Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 2.95Å; V143-R147 WeakPolarHBondContact O-CB 3.4Å; V143-R147 PolarHBondContact O-N 2.92Å
144	H	90.4	Very high	93.7	Very high	125 Å²	125	76.9 Å²	76.9	58%	0.579	38%	0.375	S	S	*	.	H	α-helix	trans	-63	-38.8	-175.3	-173.1	76.8	0	0	0	112.9	A142	A142-H144 VanDerWaalsContact C-N 3.31Å; A142-H144 PolarHBondContact O-N 3.04Å
145	F	91.8	Very high	93.6	Very high	138 Å²	138	73 Å²	73	61%	0.605	37%	0.372	S	S	*	.	H	α-helix	trans	-74.8	-52.7	179.5	-179.5	-99.2	0	0	0	110.7	A142 V143 R147 R148 L149	A142-F145 PolarHBondContact O-N 2.86Å; A142-F145 VanDerWaalsContact O-N 3.12Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 2.95Å; F145-R147 PolarHBondContact O-N 3.48Å; F145-R148 PolarHBondContact O-N 3.47Å; F145-L149 HydrophobicContact CE1-CD2 4.03Å; F145-L149 PolarHBondContact O-N 3.26Å
146	F	91.9	Very high	93.5	Very high	30 Å²	30	80 Å²	80	13%	0.132	40%	0.402	C	S	.	.	H	α-helix	trans	-71.1	-30.9	-174.2	-74.4	-76.8	0	0	0	113.4	F69 I73 I138 A142 R148 L149 Q150	F69-F146 HydrophobicContact CD1-CD1 4.08Å; F69-F146 HydrophobicContact CD1-CE1 4.15Å; F69-F146 HydrophobicContact CD1-CG 4.38Å; F69-F146 HydrophobicContact CD1-CZ 4.49Å; F69-F146 HydrophobicContact CD2-CD1 4.02Å; F69-F146 HydrophobicContact CD2-CE1 4.15Å; F69-F146 HydrophobicContact CE1-CD1 4.08Å; F69-F146 AromaticContact CE1-CE1 3.66Å; F69-F146 HydrophobicContact CE1-CE1 3.66Å; F69-F146 HydrophobicContact CE1-CE2 4.34Å; F69-F146 AromaticContact CE1-CZ 3.81Å; F69-F146 HydrophobicContact CE1-CZ 3.81Å; F69-F146 AromaticContact CE2-CD1 3.97Å; F69-F146 HydrophobicContact CE2-CD1 3.97Å; F69-F146 AromaticContact CE2-CE1 3.63Å; F69-F146 HydrophobicContact CE2-CE1 3.63Å; F69-F146 HydrophobicContact CE2-CZ 4.49Å; F69-F146 HydrophobicContact CG-CD1 4.1Å; F69-F146 HydrophobicContact CG-CE1 4.42Å; F69-F146 HydrophobicContact CZ-CD1 4.03Å; F69-F146 AromaticContact CZ-CE1 3.38Å; F69-F146 HydrophobicContact CZ-CE1 3.38Å; F69-F146 AromaticContact CZ-CZ 3.81Å; F69-F146 HydrophobicContact CZ-CZ 3.81Å; I73-F146 HydrophobicContact CD1-CB 3.53Å; I73-F146 HydrophobicContact CG1-CB 4.03Å; I138-F146 HydrophobicContact CG2-CD2 4.45Å; I138-F146 HydrophobicContact CG2-CE2 3.47Å; I138-F146 VanDerWaalsContact CG2-CE2 3.47Å; I138-F146 HydrophobicContact CG2-CZ 3.67Å; A142-F146 HydrophobicContact CB-CD2 3.66Å; A142-F146 HydrophobicContact CB-CE2 3.72Å; A142-F146 WeakPolarHBondContact O-CD2 3.31Å; A142-F146 PolarHBondContact O-N 3.24Å; A142-F146 VanDerWaalsContact O-N 3.09Å; F146-R148 PolarHBondContact O-N 2.86Å; F146-L149 HydrophobicContact CD1-CD2 4.29Å; F146-L149 HydrophobicContact CE1-CD2 4.43Å; F146-L149 CarbonylContact O-C 3.57Å; F146-L149 PolarHBondContact O-N 3.24Å; F146-Q150 VanDerWaalsContact O-CB 3.26Å; F146-Q150 WeakPolarHBondContact O-CB 3.33Å; F146-Q150 PolarHBondContact O-N 3.34Å
147	R	89.7	Confident	93.3	Very high	109 Å²	109	79.6 Å²	79.6	41%	0.411	40%	0.397	S	S	.	.	H	α-helix	trans	-59.4	-34.7	177.1	-170.2	180	70.7	161.8	-0.6	113	I73 Y81 V143 F145	I73-R147 HydrophobicContact CG2-CB 4.05Å; I73-R147 HydrophobicContact CG2-CG 4.21Å; Y81-R147 VanDerWaalsContact CE1-NH2 3.28Å; V143-R147 WeakPolarHBondContact O-CB 3.4Å; V143-R147 PolarHBondContact O-N 2.92Å; F145-R147 PolarHBondContact O-N 3.48Å
148	R	92.1	Very high	93.1	Very high	183 Å²	183	77 Å²	77	69%	0.691	39%	0.392	S	S	*	.	H	α-helix	trans	-74.8	-33.6	175.8	-170.9	-177.5	-66.3	166.7	1.6	111.8	F145 F146 Y152	F145-R148 PolarHBondContact O-N 3.47Å; F146-R148 PolarHBondContact O-N 2.86Å; R148-Y152 WeakPolarHBondContact O-CD2 3.35Å; R148-Y152 WeakPolarHBondContact O-CE2 3.12Å
149	L	92.3	Very high	93	Very high	75 Å²	75	74.8 Å²	74.8	39%	0.393	39%	0.39	S	S	.	.	H	α-helix	trans	-80.8	-31.1	-178	-173.8	61.3	0	0	0	112.8	F145 F146 Y152 A153	F145-L149 HydrophobicContact CE1-CD2 4.03Å; F145-L149 PolarHBondContact O-N 3.26Å; F146-L149 HydrophobicContact CD1-CD2 4.29Å; F146-L149 HydrophobicContact CE1-CD2 4.43Å; F146-L149 CarbonylContact O-C 3.57Å; F146-L149 PolarHBondContact O-N 3.24Å; L149-Y152 WeakPolarHBondContact O-CB 3.27Å; L149-Y152 PolarHBondContact O-N 2.95Å; L149-Y152 VanDerWaalsContact O-N 3.1Å; L149-A153 PolarHBondContact O-N 2.98Å
150	Q	90.2	Very high	92.8	Very high	41 Å²	41	76.3 Å²	76.3	19%	0.192	40%	0.403	C	S	.	.	H	α-helix	trans	-50.5	-49.8	-172.3	-175.2	-177	-19.4	0	0	114.9	I73 F146 Y152 A153 L154	I73-Q150 HydrophobicContact CD1-CB 4.26Å; I73-Q150 HydrophobicContact CD1-CG 4.41Å; F146-Q150 VanDerWaalsContact O-CB 3.26Å; F146-Q150 WeakPolarHBondContact O-CB 3.33Å; F146-Q150 PolarHBondContact O-N 3.34Å; Q150-Y152 PolarHBondContact O-N 3.09Å; Q150-A153 PolarHBondContact O-N 2.7Å; Q150-A153 VanDerWaalsContact O-N 3.12Å; Q150-L154 HydrophobicContact CG-CD1 3.93Å; Q150-L154 HydrophobicContact CG-CG 4.3Å; Q150-L154 WeakPolarHBondContact O-CG 3.3Å; Q150-L154 PolarHBondContact O-N 2.9Å
151	P	92.8	Very high	92.7	Very high	80 Å²	80	75.8 Å²	75.8	52%	0.519	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-32.6	-178.8	23.9	-34.3	0	0	0	112.7	G155	P151-G155 PolarHBondContact O-N 3.46Å
152	Y	95.1	Very high	92.6	Very high	170 Å²	170	74.4 Å²	74.4	67%	0.667	39%	0.388	S	S	*	.	H	α-helix	trans	-73.6	-39.2	175.1	-55.5	-75.2	0	0	0	111.5	R148 L149 Q150 G155 F156	R148-Y152 WeakPolarHBondContact O-CD2 3.35Å; R148-Y152 WeakPolarHBondContact O-CE2 3.12Å; L149-Y152 WeakPolarHBondContact O-CB 3.27Å; L149-Y152 PolarHBondContact O-N 2.95Å; L149-Y152 VanDerWaalsContact O-N 3.1Å; Q150-Y152 PolarHBondContact O-N 3.09Å; Y152-G155 PolarHBondContact O-N 3.44Å; Y152-F156 WeakPolarHBondContact O-CB 3.33Å; Y152-F156 PolarHBondContact O-N 2.83Å
153	A	92.6	Very high	92.6	Very high	24 Å²	24	78.1 Å²	78.1	20%	0.198	40%	0.398	C	S	.	.	H	α-helix	trans	-64.6	-44.7	176.8	0	0	0	0	0	111.8	P66 L149 Q150 F156 A157	P66-A153 HydrophobicContact CB-CB 4.44Å; P66-A153 HydrophobicContact CG-CB 4.15Å; L149-A153 PolarHBondContact O-N 2.98Å; Q150-A153 PolarHBondContact O-N 2.7Å; Q150-A153 VanDerWaalsContact O-N 3.12Å; A153-F156 PolarHBondContact O-N 2.99Å; A153-A157 WeakPolarHBondContact O-CB 3.33Å; A153-A157 PolarHBondContact O-N 3.31Å
154	L	91.8	Very high	92.5	Very high	63 Å²	63	78.3 Å²	78.3	33%	0.33	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-44.8	174.9	-72.1	172.6	0	0	0	111.5	P66 Q150 F156 A157 A158	P66-L154 HydrophobicContact CB-CD2 3.56Å; P66-L154 HydrophobicContact CB-CG 4.17Å; Q150-L154 HydrophobicContact CG-CD1 3.93Å; Q150-L154 HydrophobicContact CG-CG 4.3Å; Q150-L154 WeakPolarHBondContact O-CG 3.3Å; Q150-L154 PolarHBondContact O-N 2.9Å; L154-F156 VanDerWaalsContact C-N 3.33Å; L154-F156 PolarHBondContact O-N 2.95Å; L154-A157 PolarHBondContact O-N 3.14Å; L154-A158 VanDerWaalsContact O-CB 3.3Å; L154-A158 WeakPolarHBondContact O-CB 3.42Å; L154-A158 PolarHBondContact O-N 2.96Å
155	G	94.6	Very high	92.6	Very high	49 Å²	49	74.6 Å²	74.6	51%	0.505	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-41.5	176.7	0	0	0	0	0	113	P151 Y152 G159	P151-G155 PolarHBondContact O-N 3.46Å; Y152-G155 PolarHBondContact O-N 3.44Å; G155-G159 PolarHBondContact O-N 2.99Å
156	F	93.2	Very high	92.8	Very high	150 Å²	150	71.9 Å²	71.9	66%	0.658	38%	0.38	S	S	*	.	H	α-helix	trans	-65.4	-46.6	174.6	177.8	-98.4	0	0	0	112.2	Y152 A153 L154 G159 A160	Y152-F156 WeakPolarHBondContact O-CB 3.33Å; Y152-F156 PolarHBondContact O-N 2.83Å; A153-F156 PolarHBondContact O-N 2.99Å; L154-F156 VanDerWaalsContact C-N 3.33Å; L154-F156 PolarHBondContact O-N 2.95Å; F156-G159 PolarHBondContact O-N 3.46Å; F156-A160 PolarHBondContact O-N 3.49Å
157	A	93	Very high	92.7	Very high	2 Å²	2	73.9 Å²	73.9	2%	0.017	39%	0.391	C	S	.	.	H	α-helix	trans	-65	-39.1	179.7	0	0	0	0	0	113	H63 P66 A153 L154 G159 A160 M161	H63-A157 PolarHBondContact ND1-O 2.84Å; P66-A157 HydrophobicContact CG-CB 3.84Å; A153-A157 WeakPolarHBondContact O-CB 3.33Å; A153-A157 PolarHBondContact O-N 3.31Å; L154-A157 PolarHBondContact O-N 3.14Å; A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 3Å; A157-A160 PolarHBondContact O-N 3.25Å; A157-M161 WeakPolarHBondContact O-CB 3.33Å; A157-M161 PolarHBondContact O-N 2.82Å
158	A	93.1	Very high	92.7	Very high	53 Å²	53	69.1 Å²	69.1	44%	0.438	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-42.2	173.7	0	0	0	0	0	111.3	L154 M161 L162	L154-A158 VanDerWaalsContact O-CB 3.3Å; L154-A158 WeakPolarHBondContact O-CB 3.42Å; L154-A158 PolarHBondContact O-N 2.96Å; A158-M161 PolarHBondContact O-N 2.77Å; A158-L162 VanDerWaalsContact O-CB 3.31Å; A158-L162 WeakPolarHBondContact O-CB 3.22Å; A158-L162 PolarHBondContact O-N 3.33Å
159	G	94.1	Very high	92.6	Very high	40 Å²	40	63.5 Å²	63.5	41%	0.412	36%	0.357	S	S	.	.	H	α-helix	trans	-62.5	-44.4	174.9	0	0	0	0	0	113.2	G155 F156 A157 L162 F163	G155-G159 PolarHBondContact O-N 2.99Å; F156-G159 PolarHBondContact O-N 3.46Å; A157-G159 VanDerWaalsContact C-N 3.33Å; A157-G159 PolarHBondContact O-N 3Å; G159-L162 PolarHBondContact O-N 3.01Å; G159-F163 PolarHBondContact O-N 3.19Å
160	A	92.3	Very high	92.6	Very high	32 Å²	32	63.3 Å²	63.3	26%	0.264	36%	0.356	S	S	.	.	H	α-helix	trans	-63.9	-42.7	177.7	0	0	0	0	0	112.3	F156 A157 F163 V164	F156-A160 PolarHBondContact O-N 3.49Å; A157-A160 PolarHBondContact O-N 3.25Å; A160-F163 PolarHBondContact O-N 3.46Å; A160-V164 PolarHBondContact O-N 3.24Å; A160-V164 VanDerWaalsContact O-N 3.16Å
161	M	93	Very high	92.6	Very high	42 Å²	42	64 Å²	64	21%	0.207	36%	0.364	C	S	.	.	H	α-helix	trans	-67.4	-42.2	177.2	-173.3	175.3	-97.3	0	0	111.4	I60 H63 E103 A157 A158 F163 V164 V165	I60-M161 HydrophobicContact CG1-CE 4.3Å; H63-M161 HydrophobicContact CB-CE 3.72Å; H63-M161 VanDerWaalsContact CD2-CE 3.44Å; H63-M161 WeakPolarHBondContact CD2-CE 3.47Å; H63-M161 VanDerWaalsContact CG-CE 3.4Å; E103-M161 WeakPolarHBondContact OE1-CE 3.47Å; A157-M161 WeakPolarHBondContact O-CB 3.33Å; A157-M161 PolarHBondContact O-N 2.82Å; A158-M161 PolarHBondContact O-N 2.77Å; M161-F163 VanDerWaalsContact C-N 3.29Å; M161-F163 PolarHBondContact O-N 3.4Å; M161-V164 PolarHBondContact O-N 3.27Å; M161-V165 HydrophobicContact CG-CG2 4.2Å; M161-V165 WeakPolarHBondContact O-CB 3.35Å; M161-V165 WeakPolarHBondContact O-CG2 2.99Å; M161-V165 PolarHBondContact O-N 3.26Å
162	L	93.6	Very high	92.4	Very high	115 Å²	115	64 Å²	64	60%	0.602	36%	0.357	S	S	*	.	H	α-helix	trans	-57.9	-42.1	174.4	-178.9	62.9	0	0	0	111.7	A158 G159 V165 V166	A158-L162 VanDerWaalsContact O-CB 3.31Å; A158-L162 WeakPolarHBondContact O-CB 3.22Å; A158-L162 PolarHBondContact O-N 3.33Å; G159-L162 PolarHBondContact O-N 3.01Å; L162-V165 PolarHBondContact O-N 2.85Å; L162-V166 HydrophobicContact CD1-CG2 4.2Å; L162-V166 WeakPolarHBondContact O-CB 3.48Å; L162-V166 VanDerWaalsContact O-CG2 3.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.43Å; L162-V166 PolarHBondContact O-N 2.92Å
163	F	93.6	Very high	92.2	Very high	115 Å²	115	58.2 Å²	58.2	50%	0.504	34%	0.341	S	S	.	.	H	α-helix	trans	-59.1	-50.7	175.8	172.9	-96.6	0	0	0	111.9	G159 A160 M161 V165 V166 D167	G159-F163 PolarHBondContact O-N 3.19Å; A160-F163 PolarHBondContact O-N 3.46Å; M161-F163 VanDerWaalsContact C-N 3.29Å; M161-F163 PolarHBondContact O-N 3.4Å; F163-V165 PolarHBondContact O-N 3.33Å; F163-V166 PolarHBondContact O-N 3.36Å; F163-D167 HydrophobicContact CE1-CB 4.35Å; F163-D167 HydrophobicContact CE2-CB 4.4Å; F163-D167 HydrophobicContact CZ-CB 4.15Å; F163-D167 VanDerWaalsContact O-CB 3.31Å; F163-D167 WeakPolarHBondContact O-CB 3.08Å; F163-D167 PolarHBondContact O-N 2.96Å
164	V	92.4	Very high	92.2	Very high	9 Å²	9	60.9 Å²	60.9	6%	0.055	35%	0.35	C	S	.	.	H	α-helix	trans	-67	-36.8	-179.8	169.4	0	0	0	0	112.4	L56 A59 A160 M161 V166 D168 I169	L56-V164 HydrophobicContact CB-CG1 4.44Å; L56-V164 HydrophobicContact CD1-CG1 3.85Å; A59-V164 HydrophobicContact CB-CB 4.01Å; A59-V164 HydrophobicContact CB-CG1 4.25Å; A59-V164 HydrophobicContact CB-CG2 3.45Å; A59-V164 VanDerWaalsContact CB-CG2 3.45Å; A160-V164 PolarHBondContact O-N 3.24Å; A160-V164 VanDerWaalsContact O-N 3.16Å; M161-V164 PolarHBondContact O-N 3.27Å; V164-V166 VanDerWaalsContact C-N 3.3Å; V164-V166 PolarHBondContact O-N 3.41Å; V164-D168 PolarHBondContact O-N 3.31Å; V164-I169 HydrophobicContact CG1-CG1 4.49Å; V164-I169 PolarHBondContact O-N 3.4Å
165	V	92.5	Very high	92	Very high	46 Å²	46	61.4 Å²	61.4	28%	0.279	36%	0.358	S	S	.	.	I	π-helix	trans	-59.4	-44.7	174.8	168.9	0	0	0	0	110.4	M161 L162 F163 I169 I170	M161-V165 HydrophobicContact CG-CG2 4.2Å; M161-V165 WeakPolarHBondContact O-CB 3.35Å; M161-V165 WeakPolarHBondContact O-CG2 2.99Å; M161-V165 PolarHBondContact O-N 3.26Å; L162-V165 PolarHBondContact O-N 2.85Å; F163-V165 PolarHBondContact O-N 3.33Å; V165-I169 HydrophobicContact CG2-CD1 3.98Å; V165-I169 PolarHBondContact O-N 3.49Å; V165-I170 HydrophobicContact CG1-CD1 3.94Å; V165-I170 HydrophobicContact CG1-CG1 4.08Å; V165-I170 WeakPolarHBondContact O-CB 3.36Å; V165-I170 WeakPolarHBondContact O-CG1 3.48Å; V165-I170 PolarHBondContact O-N 3.11Å
166	V	94.1	Very high	91.7	Very high	82 Å²	82	67.3 Å²	67.3	50%	0.497	37%	0.365	S	S	.	.	I	π-helix	trans	-76.6	-41.2	-178.2	173.6	0	0	0	0	112.7	L162 F163 V164 I170 P171	L162-V166 HydrophobicContact CD1-CG2 4.2Å; L162-V166 WeakPolarHBondContact O-CB 3.48Å; L162-V166 VanDerWaalsContact O-CG2 3.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.43Å; L162-V166 PolarHBondContact O-N 2.92Å; F163-V166 PolarHBondContact O-N 3.36Å; V164-V166 VanDerWaalsContact C-N 3.3Å; V164-V166 PolarHBondContact O-N 3.41Å; V166-I170 HydrophobicContact CG2-CD1 4.39Å; V166-P171 WeakPolarHBondContact O-CD 3.3Å; V166-P171 WeakPolarHBondContact O-CG 3.43Å
167	D	91.2	Very high	91.5	Very high	71 Å²	71	63.5 Å²	63.5	38%	0.38	37%	0.369	S	S	.	.	I	π-helix	trans	-78.7	-35.9	-174.5	-164.9	57	0	0	0	112.7	F163 P171	F163-D167 HydrophobicContact CE1-CB 4.35Å; F163-D167 HydrophobicContact CE2-CB 4.4Å; F163-D167 HydrophobicContact CZ-CB 4.15Å; F163-D167 VanDerWaalsContact O-CB 3.31Å; F163-D167 WeakPolarHBondContact O-CB 3.08Å; F163-D167 PolarHBondContact O-N 2.96Å; D167-P171 WeakPolarHBondContact O-CG 3.49Å
168	D	88.6	Confident	91.3	Very high	10 Å²	10	69.3 Å²	69.3	5%	0.053	40%	0.395	C	S	.	.	I	π-helix	trans	-119.1	-53.2	-172.8	-77.4	-33.9	0	0	0	113	R52 V164 E172	R52-D168 WeakPolarHBondContact CA-OD2 3.22Å; R52-D168 WeakPolarHBondContact CD-OD1 3.41Å; R52-D168 WeakPolarHBondContact CG-OD1 3.49Å; R52-D168 IonicContact NE-OD1 3.8Å; R52-D168 PolarHBondContact NE-OD1 2.96Å; V164-D168 PolarHBondContact O-N 3.31Å; D168-E172 WeakPolarHBondContact O-CB 3.46Å; D168-E172 PolarHBondContact O-N 3.48Å
169	I	90.5	Very high	91.3	Very high	64 Å²	64	67.7 Å²	67.7	33%	0.328	38%	0.384	S	S	.	.	I	π-helix	trans	-68.9	-50	-169.3	-55.6	-174.7	0	0	0	112.1	L56 V164 V165 E172 S173	L56-I169 HydrophobicContact CD1-CD1 3.64Å; L56-I169 HydrophobicContact CD1-CG1 3.94Å; V164-I169 HydrophobicContact CG1-CG1 4.49Å; V164-I169 PolarHBondContact O-N 3.4Å; V165-I169 HydrophobicContact CG2-CD1 3.98Å; V165-I169 PolarHBondContact O-N 3.49Å; I169-E172 PolarHBondContact O-N 3.31Å; I169-S173 VanDerWaalsContact O-CB 3.29Å; I169-S173 WeakPolarHBondContact O-CB 3.31Å; I169-S173 PolarHBondContact O-N 3Å; I169-S173 PolarHBondContact O-OG 3.32Å
170	I	92.2	Very high	91.3	Very high	71 Å²	71	76.3 Å²	76.3	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-61.7	-51.8	-179.4	-70.6	170.5	0	0	0	110.4	V165 V166 E172 S173 Q174	V165-I170 HydrophobicContact CG1-CD1 3.94Å; V165-I170 HydrophobicContact CG1-CG1 4.08Å; V165-I170 WeakPolarHBondContact O-CB 3.36Å; V165-I170 WeakPolarHBondContact O-CG1 3.48Å; V165-I170 PolarHBondContact O-N 3.11Å; V166-I170 HydrophobicContact CG2-CD1 4.39Å; I170-E172 VanDerWaalsContact C-N 3.34Å; I170-E172 PolarHBondContact O-N 3Å; I170-S173 PolarHBondContact O-N 3.36Å; I170-S173 PolarHBondContact O-OG 3.4Å; I170-Q174 WeakPolarHBondContact O-CG 3.26Å; I170-Q174 PolarHBondContact O-N 2.88Å
171	P	90.7	Very high	91.5	Very high	56 Å²	56	79.5 Å²	79.5	36%	0.364	42%	0.416	S	S	.	.	H	α-helix	trans	-59.1	-41.1	177.3	-28.1	38.1	0	0	0	113.5	V166 D167 Q174 S175	V166-P171 WeakPolarHBondContact O-CD 3.3Å; V166-P171 WeakPolarHBondContact O-CG 3.43Å; D167-P171 WeakPolarHBondContact O-CG 3.49Å; P171-Q174 PolarHBondContact O-N 3.37Å; P171-S175 PolarHBondContact O-N 2.72Å; P171-S175 VanDerWaalsContact O-N 3.13Å
172	E	89	Confident	91.5	Very high	81 Å²	81	78.6 Å²	78.6	38%	0.379	41%	0.414	S	S	.	.	H	α-helix	trans	-66	-41.7	178.5	-172.5	57	-133.5	0	0	111.6	D168 I169 I170 Q174 S175	D168-E172 WeakPolarHBondContact O-CB 3.46Å; D168-E172 PolarHBondContact O-N 3.48Å; I169-E172 PolarHBondContact O-N 3.31Å; I170-E172 VanDerWaalsContact C-N 3.34Å; I170-E172 PolarHBondContact O-N 3Å; E172-Q174 PolarHBondContact O-N 3.25Å; E172-S175 WeakPolarHBondContact O-CB 3.18Å; E172-S175 PolarHBondContact O-N 2.99Å; E172-S175 PolarHBondContact O-OG 2.94Å; E172-S175 PolarHBondContact OE1-OG 3.3Å
173	S	89.8	Confident	91.6	Very high	47 Å²	47	76.1 Å²	76.1	33%	0.329	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-25.1	178.7	80.5	0	0	0	0	113.3	I169 I170 S182	I169-S173 VanDerWaalsContact O-CB 3.29Å; I169-S173 WeakPolarHBondContact O-CB 3.31Å; I169-S173 PolarHBondContact O-N 3Å; I169-S173 PolarHBondContact O-OG 3.32Å; I170-S173 PolarHBondContact O-N 3.36Å; I170-S173 PolarHBondContact O-OG 3.4Å; S173-S182 WeakPolarHBondContact CB-OG 3.39Å; S173-S182 PolarHBondContact OG-OG 2.99Å
174	Q	92.4	Very high	91.8	Very high	81 Å²	81	73.9 Å²	73.9	38%	0.379	40%	0.399	S	S	.	.	H	α-helix	trans	-97.7	-11.7	-178.2	-63.8	-178.7	-28.7	0	0	113.2	I170 P171 E172 R176 G177 T183	I170-Q174 WeakPolarHBondContact O-CG 3.26Å; I170-Q174 PolarHBondContact O-N 2.88Å; P171-Q174 PolarHBondContact O-N 3.37Å; E172-Q174 PolarHBondContact O-N 3.25Å; Q174-R176 PolarHBondContact O-N 3.4Å; Q174-G177 PolarHBondContact O-N 3.47Å; Q174-T183 PolarHBondContact NE2-OG1 3.24Å
175	S	88.9	Confident	91.9	Very high	73 Å²	73	78.1 Å²	78.1	51%	0.51	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.9	-173.3	75.2	0	0	0	0	113.9	P171 E172 G177	P171-S175 PolarHBondContact O-N 2.72Å; P171-S175 VanDerWaalsContact O-N 3.13Å; E172-S175 WeakPolarHBondContact O-CB 3.18Å; E172-S175 PolarHBondContact O-N 2.99Å; E172-S175 PolarHBondContact O-OG 2.94Å; E172-S175 PolarHBondContact OE1-OG 3.3Å; S175-G177 PolarHBondContact O-N 2.94Å
176	R	86.9	Confident	91.9	Very high	173 Å²	173	78.7 Å²	78.7	65%	0.653	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	22.3	-173.9	-58.8	-170.9	179.3	-148.5	-0.2	114.5	Q174 H178	Q174-R176 PolarHBondContact O-N 3.4Å; R176-H178 VanDerWaalsContact C-N 3.27Å; R176-H178 PolarHBondContact O-CE1 2.94Å; R176-H178 PolarHBondContact O-N 3.26Å; R176-H178 PolarHBondContact O-ND1 3.35Å
177	G	88.7	Confident	92	Very high	71 Å²	71	80 Å²	80	73%	0.732	43%	0.433	S	S	*	.	S	Bend	trans	77.9	0.2	174.9	0	0	0	0	0	116.1	Q174 S175	Q174-G177 PolarHBondContact O-N 3.47Å; S175-G177 PolarHBondContact O-N 2.94Å
178	H	90.8	Very high	92.3	Very high	123 Å²	123	80.7 Å²	80.7	57%	0.569	44%	0.436	S	S	*	.			trans	-101.9	31	-179.3	-61.2	85.1	0	0	0	112.7	R176 R180 L181 S182	R176-H178 VanDerWaalsContact C-N 3.27Å; R176-H178 PolarHBondContact O-CE1 2.94Å; R176-H178 PolarHBondContact O-N 3.26Å; R176-H178 PolarHBondContact O-ND1 3.35Å; H178-R180 VanDerWaalsContact C-N 3.34Å; H178-R180 PolarHBondContact O-N 3.06Å; H178-L181 HydrophobicContact CB-CB 4.5Å; H178-L181 PolarHBondContact O-N 3.47Å; H178-S182 PolarHBondContact O-N 3.01Å
179	G	91.6	Very high	92.6	Very high	20 Å²	20	81.8 Å²	81.8	21%	0.206	45%	0.449	C	S	.	.	H	α-helix	trans	-54.2	-43	-168.4	0	0	0	0	0	114.6	S182 T183	G179-S182 PolarHBondContact O-N 3.27Å; G179-T183 PolarHBondContact O-N 3.23Å; G179-T183 PolarHBondContact O-OG1 2.92Å
180	R	94.4	Very high	92.7	Very high	220 Å²	220	85 Å²	85	83%	0.83	46%	0.461	S	S	*	.	H	α-helix	trans	-64.5	-42.7	177.6	-174.3	175.8	65.4	177.3	-0.7	112.5	H178 T183 V184	H178-R180 VanDerWaalsContact C-N 3.34Å; H178-R180 PolarHBondContact O-N 3.06Å; R180-T183 PolarHBondContact O-N 2.8Å; R180-V184 WeakPolarHBondContact O-CG2 3.26Å; R180-V184 PolarHBondContact O-N 3.23Å
181	L	95.6	Very high	92.9	Very high	99 Å²	99	84 Å²	84	52%	0.518	46%	0.463	S	S	.	.	H	α-helix	trans	-66.1	-43.2	177.7	-179.2	65.6	0	0	0	110.2	H178 T183 V184 M185	H178-L181 HydrophobicContact CB-CB 4.5Å; H178-L181 PolarHBondContact O-N 3.47Å; L181-T183 PolarHBondContact O-N 2.85Å; L181-V184 PolarHBondContact O-N 3.41Å; L181-M185 HydrophobicContact CD1-CE 4.04Å; L181-M185 HydrophobicContact CD1-CG 4.26Å; L181-M185 HydrophobicContact CG-CG 4.35Å; L181-M185 WeakPolarHBondContact O-CG 3.47Å; L181-M185 PolarHBondContact O-N 3.12Å
182	S	94.2	Very high	93	Very high	24 Å²	24	85.8 Å²	85.8	17%	0.168	47%	0.469	C	S	.	.	H	α-helix	trans	-55.4	-50.8	175.4	-178.2	0	0	0	0	111.4	S173 H178 G179 V184 M185 A186	S173-S182 WeakPolarHBondContact CB-OG 3.39Å; S173-S182 PolarHBondContact OG-OG 2.99Å; H178-S182 PolarHBondContact O-N 3.01Å; G179-S182 PolarHBondContact O-N 3.27Å; S182-V184 PolarHBondContact O-N 3.37Å; S182-M185 PolarHBondContact O-N 3.38Å; S182-A186 WeakPolarHBondContact O-CB 3.21Å; S182-A186 PolarHBondContact O-N 3.45Å
183	T	95.3	Very high	93.2	Very high	63 Å²	63	83.9 Å²	83.9	39%	0.387	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-41	178.8	-59.4	0	0	0	0	112.5	Q174 G179 R180 L181 A186 L187	Q174-T183 PolarHBondContact NE2-OG1 3.24Å; G179-T183 PolarHBondContact O-N 3.23Å; G179-T183 PolarHBondContact O-OG1 2.92Å; R180-T183 PolarHBondContact O-N 2.8Å; L181-T183 PolarHBondContact O-N 2.85Å; T183-A186 PolarHBondContact O-N 3.38Å; T183-L187 HydrophobicContact CG2-CD1 4.45Å; T183-L187 WeakPolarHBondContact O-CG 3.14Å; T183-L187 PolarHBondContact O-N 2.97Å
184	V	97.2	Very high	93.3	Very high	67 Å²	67	85 Å²	85	41%	0.406	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-43.7	177.1	174.9	0	0	0	0	111.2	R180 L181 S182 A186 L187 I188	R180-V184 WeakPolarHBondContact O-CG2 3.26Å; R180-V184 PolarHBondContact O-N 3.23Å; L181-V184 PolarHBondContact O-N 3.41Å; S182-V184 PolarHBondContact O-N 3.37Å; V184-A186 VanDerWaalsContact C-N 3.31Å; V184-A186 PolarHBondContact O-N 2.81Å; V184-L187 PolarHBondContact O-N 3.3Å; V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CG1 3.09Å; V184-I188 PolarHBondContact O-N 3.26Å
185	M	95.3	Very high	93.3	Very high	98 Å²	98	85.4 Å²	85.4	48%	0.483	47%	0.472	S	S	.	.	H	α-helix	trans	-64.4	-37.3	176.4	-66.9	-58.6	105.7	0	0	111.7	L181 S182 I188 G189	L181-M185 HydrophobicContact CD1-CE 4.04Å; L181-M185 HydrophobicContact CD1-CG 4.26Å; L181-M185 HydrophobicContact CG-CG 4.35Å; L181-M185 WeakPolarHBondContact O-CG 3.47Å; L181-M185 PolarHBondContact O-N 3.12Å; S182-M185 PolarHBondContact O-N 3.38Å; M185-I188 HydrophobicContact CE-CD1 3.72Å; M185-I188 PolarHBondContact O-N 2.76Å; M185-G189 PolarHBondContact O-N 3.08Å
186	A	93.5	Very high	93.4	Very high	59 Å²	59	84 Å²	84	49%	0.488	46%	0.459	S	S	.	.	H	α-helix	trans	-63.4	-42.2	174.3	0	0	0	0	0	111.9	S182 T183 V184 G189 F190	S182-A186 WeakPolarHBondContact O-CB 3.21Å; S182-A186 PolarHBondContact O-N 3.45Å; T183-A186 PolarHBondContact O-N 3.38Å; V184-A186 VanDerWaalsContact C-N 3.31Å; V184-A186 PolarHBondContact O-N 2.81Å; A186-G189 PolarHBondContact O-N 2.88Å; A186-F190 VanDerWaalsContact O-CB 3.28Å; A186-F190 WeakPolarHBondContact O-CB 3.26Å; A186-F190 PolarHBondContact O-N 3.43Å
187	L	95.9	Very high	93.5	Very high	110 Å²	110	79.1 Å²	79.1	58%	0.576	44%	0.443	S	S	*	.	H	α-helix	trans	-66.7	-41.2	176.1	-70.1	175.4	0	0	0	112.6	T183 V184 F190 A191	T183-L187 HydrophobicContact CG2-CD1 4.45Å; T183-L187 WeakPolarHBondContact O-CG 3.14Å; T183-L187 PolarHBondContact O-N 2.97Å; V184-L187 PolarHBondContact O-N 3.3Å; L187-F190 PolarHBondContact O-N 2.82Å; L187-A191 WeakPolarHBondContact O-CB 3.34Å; L187-A191 PolarHBondContact O-N 3.2Å
188	I	97	Very high	93.5	Very high	85 Å²	85	80.2 Å²	80.2	44%	0.436	44%	0.436	S	S	.	.	H	α-helix	trans	-63.5	-46.8	175.1	-68.5	169.9	0	0	0	110	V184 M185 A191 I192	V184-I188 HydrophobicContact CG1-CD1 3.93Å; V184-I188 HydrophobicContact CG1-CG1 4.49Å; V184-I188 WeakPolarHBondContact O-CG1 3.09Å; V184-I188 PolarHBondContact O-N 3.26Å; M185-I188 HydrophobicContact CE-CD1 3.72Å; M185-I188 PolarHBondContact O-N 2.76Å; I188-A191 PolarHBondContact O-N 3.49Å; I188-I192 HydrophobicContact CG2-CD1 3.8Å; I188-I192 HydrophobicContact CG2-CG1 4.47Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.48Å; I188-I192 PolarHBondContact O-N 3Å
189	G	93.9	Very high	93.4	Very high	32 Å²	32	81.6 Å²	81.6	33%	0.33	44%	0.44	S	S	.	.	H	α-helix	trans	-58	-49.4	175.8	0	0	0	0	0	111.7	M185 A186 A191 I192 M193	M185-G189 PolarHBondContact O-N 3.08Å; A186-G189 PolarHBondContact O-N 2.88Å; G189-A191 PolarHBondContact O-N 3.09Å; G189-I192 PolarHBondContact O-N 3.1Å; G189-M193 VanDerWaalsContact O-CG 3.26Å; G189-M193 WeakPolarHBondContact O-CG 3.38Å; G189-M193 PolarHBondContact O-N 3.38Å
190	F	93.2	Very high	93.1	Very high	131 Å²	131	81.2 Å²	81.2	58%	0.575	43%	0.434	S	S	*	.	H	α-helix	trans	-56.7	-47.1	175.9	179.5	-101.4	0	0	0	111.9	A186 L187 I192 M193 M194	A186-F190 VanDerWaalsContact O-CB 3.28Å; A186-F190 WeakPolarHBondContact O-CB 3.26Å; A186-F190 PolarHBondContact O-N 3.43Å; L187-F190 PolarHBondContact O-N 2.82Å; F190-I192 PolarHBondContact O-N 2.97Å; F190-M193 PolarHBondContact O-N 2.93Å; F190-M194 HydrophobicContact CD1-CG 4.07Å; F190-M194 HydrophobicContact CD2-CG 4.35Å; F190-M194 HydrophobicContact CE1-CG 3.67Å; F190-M194 HydrophobicContact CE1-SD 4.32Å; F190-M194 HydrophobicContact CE2-CE 4.18Å; F190-M194 HydrophobicContact CE2-CG 3.97Å; F190-M194 HydrophobicContact CE2-SD 3.93Å; F190-M194 HydrophobicContact CG-CG 4.39Å; F190-M194 HydrophobicContact CZ-CG 3.61Å; F190-M194 HydrophobicContact CZ-SD 3.68Å; F190-M194 VanDerWaalsContact O-CG 3.25Å; F190-M194 WeakPolarHBondContact O-CG 3.47Å; F190-M194 PolarHBondContact O-N 3.22Å
191	A	95.7	Very high	92.3	Very high	50 Å²	50	76.7 Å²	76.7	41%	0.413	42%	0.422	S	S	.	.	H	α-helix	trans	-61.8	-42.6	178.1	0	0	0	0	0	112.6	L187 I188 G189 M193 M194 C195	L187-A191 WeakPolarHBondContact O-CB 3.34Å; L187-A191 PolarHBondContact O-N 3.2Å; I188-A191 PolarHBondContact O-N 3.49Å; G189-A191 PolarHBondContact O-N 3.09Å; A191-M193 VanDerWaalsContact C-N 3.34Å; A191-M193 PolarHBondContact O-N 3.09Å; A191-M194 PolarHBondContact O-N 3.36Å; A191-C195 PolarHBondContact O-N 3.26Å; A191-C195 PolarHBondContact O-SG 3.44Å
192	I	94.3	Very high	91.2	Very high	95 Å²	95	77.8 Å²	77.8	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-60.3	-46	175.8	-69.8	166.7	0	0	0	110.3	I188 G189 F190 C195 L196	I188-I192 HydrophobicContact CG2-CD1 3.8Å; I188-I192 HydrophobicContact CG2-CG1 4.47Å; I188-I192 VanDerWaalsContact O-CG1 3.3Å; I188-I192 WeakPolarHBondContact O-CG1 3.48Å; I188-I192 PolarHBondContact O-N 3Å; G189-I192 PolarHBondContact O-N 3.1Å; F190-I192 PolarHBondContact O-N 2.97Å; I192-C195 PolarHBondContact O-N 3.02Å; I192-L196 HydrophobicContact CG2-CD1 3.95Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.35Å; I192-L196 PolarHBondContact O-N 3.34Å
193	M	92.1	Very high	91	Very high	41 Å²	41	80.5 Å²	80.5	20%	0.202	45%	0.447	C	S	.	.	H	α-helix	trans	-64.7	-41.9	179.7	-65.8	-57.8	-65.1	0	0	112	Q99 G189 F190 A191 C195 L196 E197	Q99-M193 HydrophobicContact CB-CE 3.54Å; Q99-M193 HydrophobicContact CG-CE 3.29Å; Q99-M193 VanDerWaalsContact OE1-CE 3.26Å; G189-M193 VanDerWaalsContact O-CG 3.26Å; G189-M193 WeakPolarHBondContact O-CG 3.38Å; G189-M193 PolarHBondContact O-N 3.38Å; F190-M193 PolarHBondContact O-N 2.93Å; A191-M193 VanDerWaalsContact C-N 3.34Å; A191-M193 PolarHBondContact O-N 3.09Å; M193-C195 VanDerWaalsContact C-N 3.35Å; M193-C195 PolarHBondContact O-N 3.09Å; M193-L196 PolarHBondContact O-N 3.17Å; M193-L196 HydrophobicContact SD-CD1 4.11Å; M193-E197 WeakPolarHBondContact O-CB 3.45Å; M193-E197 PolarHBondContact O-N 3.45Å
194	M	92.4	Very high	90.8	Very high	69 Å²	69	81.4 Å²	81.4	34%	0.34	45%	0.45	S	S	.	.	H	α-helix	trans	-63	-39.2	174.3	-66.3	-64.7	89.2	0	0	112.7	F190 A191 E197 V198	F190-M194 HydrophobicContact CD1-CG 4.07Å; F190-M194 HydrophobicContact CD2-CG 4.35Å; F190-M194 HydrophobicContact CE1-CG 3.67Å; F190-M194 HydrophobicContact CE1-SD 4.32Å; F190-M194 HydrophobicContact CE2-CE 4.18Å; F190-M194 HydrophobicContact CE2-CG 3.97Å; F190-M194 HydrophobicContact CE2-SD 3.93Å; F190-M194 HydrophobicContact CG-CG 4.39Å; F190-M194 HydrophobicContact CZ-CG 3.61Å; F190-M194 HydrophobicContact CZ-SD 3.68Å; F190-M194 VanDerWaalsContact O-CG 3.25Å; F190-M194 WeakPolarHBondContact O-CG 3.47Å; F190-M194 PolarHBondContact O-N 3.22Å; A191-M194 PolarHBondContact O-N 3.36Å; M194-E197 WeakPolarHBondContact CE-OE2 3.11Å; M194-V198 WeakPolarHBondContact O-CG2 3.47Å; M194-V198 PolarHBondContact O-N 2.75Å; M194-V198 VanDerWaalsContact O-N 3.13Å
195	C	92.7	Very high	90.4	Very high	90 Å²	90	82.2 Å²	82.2	61%	0.608	45%	0.452	S	S	*	.	H	α-helix	trans	-65.5	-41.3	173.8	-71.1	0	0	0	0	112	A191 I192 M193 F199	A191-C195 PolarHBondContact O-N 3.26Å; A191-C195 PolarHBondContact O-SG 3.44Å; I192-C195 PolarHBondContact O-N 3.02Å; M193-C195 VanDerWaalsContact C-N 3.35Å; M193-C195 PolarHBondContact O-N 3.09Å; C195-F199 VanDerWaalsContact O-CB 3.27Å; C195-F199 WeakPolarHBondContact O-CB 3.27Å; C195-F199 PolarHBondContact O-N 3.37Å
196	L	90	Very high	90.2	Very high	44 Å²	44	81.3 Å²	81.3	23%	0.23	45%	0.45	C	S	.	.	H	α-helix	trans	-63.5	-46.8	177	-75.2	169.2	0	0	0	111.3	I98 I192 M193 F199 T200	I98-L196 HydrophobicContact CD1-CD2 4.45Å; I98-L196 HydrophobicContact CG2-CD1 3.75Å; I192-L196 HydrophobicContact CG2-CD1 3.95Å; I192-L196 HydrophobicContact CG2-CG 4.46Å; I192-L196 WeakPolarHBondContact O-CG 3.35Å; I192-L196 PolarHBondContact O-N 3.34Å; M193-L196 PolarHBondContact O-N 3.17Å; M193-L196 HydrophobicContact SD-CD1 4.11Å; L196-F199 PolarHBondContact O-N 3.17Å; L196-T200 WeakPolarHBondContact O-CB 3.46Å; L196-T200 WeakPolarHBondContact O-CG2 3.46Å; L196-T200 PolarHBondContact O-N 3.24Å; L196-T200 PolarHBondContact O-OG1 3.01Å
197	E	89.2	Confident	89.9	Confident	70 Å²	70	82.7 Å²	82.7	33%	0.327	45%	0.448	S	S	.	.	H	α-helix	trans	-55.6	-55	177.4	-175.8	176.8	174.1	0	0	110.9	M193 M194 F199 T200 E201	M193-E197 WeakPolarHBondContact O-CB 3.45Å; M193-E197 PolarHBondContact O-N 3.45Å; M194-E197 WeakPolarHBondContact CE-OE2 3.11Å; E197-F199 VanDerWaalsContact C-N 3.29Å; E197-F199 PolarHBondContact O-N 3.48Å; E197-T200 WeakPolarHBondContact CA-OG1 3.35Å; E197-T200 PolarHBondContact O-N 3.01Å; E197-T200 PolarHBondContact O-OG1 2.88Å; E197-E201 HydrophobicContact CG-CG 4.42Å; E197-E201 WeakPolarHBondContact O-CG 3.15Å; E197-E201 PolarHBondContact O-N 3.08Å
198	V	89.8	Confident	89.5	Confident	94 Å²	94	80.9 Å²	80.9	57%	0.57	44%	0.44	S	S	*	.	H	α-helix	trans	-58.4	-40.3	178.3	170.3	0	0	0	0	112.1	M194 T200 T202	M194-V198 WeakPolarHBondContact O-CG2 3.47Å; M194-V198 PolarHBondContact O-N 2.75Å; M194-V198 VanDerWaalsContact O-N 3.13Å; V198-T200 VanDerWaalsContact C-N 3.32Å; V198-T200 PolarHBondContact O-N 3.17Å; V198-T202 WeakPolarHBondContact O-CG2 3.46Å; V198-T202 PolarHBondContact O-N 3.12Å; V198-T202 PolarHBondContact O-OG1 3.46Å
199	F	88.3	Confident	89	Confident	153 Å²	153	80.6 Å²	80.6	67%	0.671	44%	0.44	S	S	*	.	H	α-helix	trans	-67.3	-33.8	177.3	-178.9	-97.6	0	0	0	112.3	C195 L196 E197 T202	C195-F199 VanDerWaalsContact O-CB 3.27Å; C195-F199 WeakPolarHBondContact O-CB 3.27Å; C195-F199 PolarHBondContact O-N 3.37Å; L196-F199 PolarHBondContact O-N 3.17Å; E197-F199 VanDerWaalsContact C-N 3.29Å; E197-F199 PolarHBondContact O-N 3.48Å; F199-T202 PolarHBondContact O-OG1 3.38Å
200	T	85.6	Confident	88.6	Confident	11 Å²	11	84.3 Å²	84.3	7%	0.067	45%	0.448	C	S	.	.	H	α-helix	trans	-83.7	-23	-178.9	59.5	0	0	0	0	113.5	N91 L196 E197 V198	N91-T200 WeakPolarHBondContact CB-O 3.11Å; N91-T200 WeakPolarHBondContact O-CB 3.46Å; L196-T200 WeakPolarHBondContact O-CB 3.46Å; L196-T200 WeakPolarHBondContact O-CG2 3.46Å; L196-T200 PolarHBondContact O-N 3.24Å; L196-T200 PolarHBondContact O-OG1 3.01Å; E197-T200 WeakPolarHBondContact CA-OG1 3.35Å; E197-T200 PolarHBondContact O-N 3.01Å; E197-T200 PolarHBondContact O-OG1 2.88Å; V198-T200 VanDerWaalsContact C-N 3.32Å; V198-T200 PolarHBondContact O-N 3.17Å
201	E	78	Confident	88.3	Confident	126 Å²	126	80.4 Å²	80.4	59%	0.589	44%	0.438	S	S	*	.	H	α-helix	trans	-88.7	-15.6	178.5	-70.5	-164.6	156.9	0	0	114.4	E197	E197-E201 HydrophobicContact CG-CG 4.42Å; E197-E201 WeakPolarHBondContact O-CG 3.15Å; E197-E201 PolarHBondContact O-N 3.08Å
202	T	71	Confident	87.6	Confident	122 Å²	122	83.2 Å²	83.2	75%	0.748	44%	0.44	S	S	*	.			trans	-85.4	0	179	43.8	0	0	0	0	112.9	N91 V198 F199	N91-T202 PolarHBondContact ND2-OXT 2.94Å; V198-T202 WeakPolarHBondContact O-CG2 3.46Å; V198-T202 PolarHBondContact O-N 3.12Å; V198-T202 PolarHBondContact O-OG1 3.46Å; F199-T202 PolarHBondContact O-OG1 3.38Å

Retrieved 202 of 202 residues in 122.4 ms (Link to these results)

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