A0A075B7C0_HUMAN Loading...

Calpain small subunit 1

AlphaFold DB , UniProt , Accession A0A075B7C0, Species HUMAN (Homo sapiens, Human), Gene CAPNS1, Length 197 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	G	37.8	Very low	38	Very low	137 Å²	137	98.3 Å²	98.3	100%	1.412	78%	0.782	S	S	*	*				0	139.3	0	0	0	0	0	0	108.6
2	G	32.5	Very low	38.9	Very low	88 Å²	88	95.3 Å²	95.3	91%	0.907	74%	0.743	S	S	*	*			trans	91.7	124.2	175.6	0	0	0	0	0	112.9
3	G	29.9	Very low	39.7	Very low	81 Å²	81	89.8 Å²	89.8	84%	0.835	70%	0.696	S	S	*	*			cis	177.4	106.9	1.7	0	0	0	0	0	107
4	G	38.4	Very low	40.6	Very low	92 Å²	92	84.4 Å²	84.4	95%	0.948	66%	0.656	S	S	*	*			trans	-85.2	117.1	172	0	0	0	0	0	109.3
5	G	35.9	Very low	41.4	Very low	83 Å²	83	81.1 Å²	81.1	86%	0.856	64%	0.636	S	S	*	*			trans	-148.1	25.6	-175.4	0	0	0	0	0	114.9
6	G	35.3	Very low	42.1	Very low	69 Å²	69	76.9 Å²	76.9	71%	0.711	60%	0.602	S	S	*	*	S	Bend	trans	-113.2	-0.2	-178.9	0	0	0	0	0	116
7	G	35.3	Very low	42.7	Very low	46 Å²	46	72.6 Å²	72.6	47%	0.474	57%	0.568	S	S	.	*	H	α-helix	trans	-91.7	-16.8	-161.7	0	0	0	0	0	117.3	R11	G7-R11 WeakPolarHBondContact O-CG 3.35Å
8	T	41.3	Very low	43	Very low	109 Å²	109	72.9 Å²	72.9	67%	0.669	57%	0.567	S	S	*	*	H	α-helix	trans	-93	-41.6	-165.8	-33.6	0	0	0	0	112.9	M10 R11 I12	T8-M10 PolarHBondContact O-N 3.08Å; T8-R11 PolarHBondContact O-N 2.88Å; T8-I12 PolarHBondContact O-N 2.78Å
9	A	40	Very low	43	Very low	53 Å²	53	71.6 Å²	71.6	44%	0.438	56%	0.558	S	S	.	*	H	α-helix	trans	-64.5	-40	178.3	0	0	0	0	0	112.1	R11 I12 L13	A9-R11 VanDerWaalsContact C-N 3.3Å; A9-R11 PolarHBondContact O-N 2.87Å; A9-I12 PolarHBondContact O-N 2.99Å; A9-L13 PolarHBondContact O-N 3.21Å; A9-L13 VanDerWaalsContact O-N 3.13Å
10	M	40.9	Very low	43.3	Very low	114 Å²	114	68.7 Å²	68.7	56%	0.562	53%	0.533	S	S	*	.	H	α-helix	trans	-66.6	-29.2	-179.6	-150.5	73.1	-164.1	0	0	113.2	T8 G14	T8-M10 PolarHBondContact O-N 3.08Å; M10-G14 PolarHBondContact O-N 3.44Å; M10-G14 VanDerWaalsContact O-N 3.09Å
11	R	50.1	Low	43.3	Very low	209 Å²	209	68.3 Å²	68.3	79%	0.789	53%	0.528	S	S	*	.	H	α-helix	trans	-73.4	-37.6	176	-78.2	178.4	108.6	119.6	-1.5	112.3	G7 T8 A9 G14 G15	G7-R11 WeakPolarHBondContact O-CG 3.35Å; T8-R11 PolarHBondContact O-N 2.88Å; A9-R11 VanDerWaalsContact C-N 3.3Å; A9-R11 PolarHBondContact O-N 2.87Å; R11-G14 PolarHBondContact O-N 3.37Å; R11-G15 PolarHBondContact O-N 2.87Å
12	I	49.4	Very low	43.5	Very low	62 Å²	62	70 Å²	70	32%	0.318	50%	0.499	S	S	.	.	H	α-helix	trans	-69.7	-47.7	178.7	-61.7	172.7	0	0	0	110	T8 A9 G14 G15 V16	T8-I12 PolarHBondContact O-N 2.78Å; A9-I12 PolarHBondContact O-N 2.99Å; I12-G14 VanDerWaalsContact C-N 3.29Å; I12-G14 PolarHBondContact O-N 2.82Å; I12-G15 PolarHBondContact O-N 2.84Å; I12-G15 VanDerWaalsContact O-N 3.15Å; I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 2.93Å
13	L	49.5	Very low	44	Very low	25 Å²	25	68.6 Å²	68.6	13%	0.131	48%	0.479	C	S	.	.	H	α-helix	trans	-58.2	-42.7	174.3	-71.6	172.3	0	0	0	111.7	A9 G15 V16 I17 L55	A9-L13 PolarHBondContact O-N 3.21Å; A9-L13 VanDerWaalsContact O-N 3.13Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 3.18Å; L13-V16 PolarHBondContact O-N 3.1Å; L13-I17 WeakPolarHBondContact O-CB 3.04Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.35Å; L13-L55 HydrophobicContact CD2-CD1 3.38Å
14	G	51.3	Low	44.8	Very low	13 Å²	13	65.8 Å²	65.8	13%	0.134	45%	0.448	C	S	.	.	H	α-helix	trans	-60.1	-39.3	176.5	0	0	0	0	0	113.6	M10 R11 I12 S18	M10-G14 PolarHBondContact O-N 3.44Å; M10-G14 VanDerWaalsContact O-N 3.09Å; R11-G14 PolarHBondContact O-N 3.37Å; I12-G14 VanDerWaalsContact C-N 3.29Å; I12-G14 PolarHBondContact O-N 2.82Å; G14-S18 PolarHBondContact O-N 3Å
15	G	53.3	Low	45.2	Very low	35 Å²	35	66.1 Å²	66.1	36%	0.361	44%	0.441	S	S	.	.	H	α-helix	trans	-73.2	-39.5	178.3	0	0	0	0	0	113.7	R11 I12 L13 I17 S18 A19	R11-G15 PolarHBondContact O-N 2.87Å; I12-G15 PolarHBondContact O-N 2.84Å; I12-G15 VanDerWaalsContact O-N 3.15Å; L13-G15 VanDerWaalsContact C-N 3.32Å; L13-G15 PolarHBondContact O-N 3.18Å; G15-I17 VanDerWaalsContact C-N 3.35Å; G15-S18 PolarHBondContact O-N 3.05Å; G15-S18 PolarHBondContact O-OG 3.36Å; G15-S18 VanDerWaalsContact O-OG 3.09Å; G15-A19 WeakPolarHBondContact O-CB 3.06Å; G15-A19 PolarHBondContact O-N 2.88Å
16	V	52.4	Low	45.4	Very low	15 Å²	15	70.9 Å²	70.9	9%	0.091	44%	0.441	C	S	.	.	H	α-helix	trans	-65.6	-42.7	173.3	-179	0	0	0	0	109.8	I12 L13 S18 A19 I20 Q51 L55	I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 2.93Å; L13-V16 PolarHBondContact O-N 3.1Å; V16-S18 VanDerWaalsContact C-N 3.33Å; V16-S18 PolarHBondContact O-N 2.8Å; V16-A19 PolarHBondContact O-N 3.44Å; V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.25Å; V16-Q51 HydrophobicContact CG2-CB 4.1Å; V16-L55 HydrophobicContact CG1-CD2 3.99Å
17	I	51.8	Low	46.1	Very low	4 Å²	4	71.2 Å²	71.2	2%	0.021	42%	0.422	C	S	.	.	H	α-helix	trans	-65.8	-34.2	177.9	-61.6	163.5	0	0	0	112.1	L13 G15 I20 I74 V78 R81	L13-I17 WeakPolarHBondContact O-CB 3.04Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.35Å; G15-I17 VanDerWaalsContact C-N 3.35Å; I17-I20 HydrophobicContact CB-CD1 4.4Å; I17-I20 HydrophobicContact CG1-CD1 4.5Å; I17-I20 HydrophobicContact CG2-CD1 4.44Å; I17-I20 WeakPolarHBondContact O-CB 3.4Å; I17-I74 HydrophobicContact CD1-CD1 4.3Å; I17-V78 HydrophobicContact CG1-CG2 4.44Å; I17-V78 HydrophobicContact CG2-CG2 4.2Å; I17-R81 HydrophobicContact CG2-CB 4.39Å; I17-R81 VanDerWaalsContact CG2-CD 3.41Å
18	S	48.3	Very low	46.5	Very low	78 Å²	78	75.5 Å²	75.5	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-74.2	-36.4	176.4	71.9	0	0	0	0	113.3	G14 G15 V16 I20 S21	G14-S18 PolarHBondContact O-N 3Å; G15-S18 PolarHBondContact O-N 3.05Å; G15-S18 PolarHBondContact O-OG 3.36Å; G15-S18 VanDerWaalsContact O-OG 3.09Å; V16-S18 VanDerWaalsContact C-N 3.33Å; V16-S18 PolarHBondContact O-N 2.8Å; S18-I20 PolarHBondContact O-N 2.87Å; S18-S21 PolarHBondContact O-N 2.92Å
19	A	43.6	Very low	46.7	Very low	48 Å²	48	73.6 Å²	73.6	40%	0.397	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-19.7	178.3	0	0	0	0	0	113.1	G15 V16 S21 E22	G15-A19 WeakPolarHBondContact O-CB 3.06Å; G15-A19 PolarHBondContact O-N 2.88Å; V16-A19 PolarHBondContact O-N 3.44Å; A19-S21 PolarHBondContact O-N 3.04Å; A19-E22 PolarHBondContact O-N 3.35Å
20	I	48	Very low	47.4	Very low	12 Å²	12	79 Å²	79	6%	0.062	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.5	176.8	-71	165.4	0	0	0	112.7	V16 I17 S18 E22 W119 K123 Q126	V16-I20 VanDerWaalsContact O-CG1 3.25Å; V16-I20 WeakPolarHBondContact O-CG1 3.45Å; V16-I20 PolarHBondContact O-N 3.25Å; I17-I20 HydrophobicContact CB-CD1 4.4Å; I17-I20 HydrophobicContact CG1-CD1 4.5Å; I17-I20 HydrophobicContact CG2-CD1 4.44Å; I17-I20 WeakPolarHBondContact O-CB 3.4Å; S18-I20 PolarHBondContact O-N 2.87Å; I20-E22 PolarHBondContact O-N 3.47Å; I20-W119 HydrophobicContact CD1-CH2 4.42Å; I20-W119 HydrophobicContact CD1-CZ2 3.5Å; I20-K123 HydrophobicContact CB-CD 4.49Å; I20-K123 HydrophobicContact CG1-CD 4.01Å; I20-K123 HydrophobicContact CG1-CG 4.38Å; I20-K123 HydrophobicContact CG2-CD 4.19Å; I20-K123 HydrophobicContact CG2-CG 3.84Å; I20-Q126 VanDerWaalsContact CG2-OE1 3.28Å
21	S	45	Very low	47.8	Very low	61 Å²	61	78.7 Å²	78.7	43%	0.427	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.7	-173.3	-165.6	0	0	0	0	114.5	S18 A19	S18-S21 PolarHBondContact O-N 2.92Å; A19-S21 PolarHBondContact O-N 3.04Å
22	E	40.7	Very low	47.6	Very low	174 Å²	174	74.5 Å²	74.5	81%	0.813	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	-27.1	-169.3	-73.6	178.1	169.7	0	0	114	A19 I20	A19-E22 PolarHBondContact O-N 3.35Å; I20-E22 PolarHBondContact O-N 3.47Å
23	A	44.3	Very low	47.7	Very low	58 Å²	58	76.2 Å²	76.2	48%	0.479	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-89.6	-3.6	-170.1	0	0	0	0	0	115.8	A25	A23-A25 VanDerWaalsContact C-N 3.31Å; A23-A25 PolarHBondContact O-N 2.72Å
24	A	46.5	Very low	47.6	Very low	22 Å²	22	80.4 Å²	80.4	18%	0.182	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-74.3	-15.3	-171.4	0	0	0	0	0	114.9	Q26 A127	A24-Q26 PolarHBondContact O-N 3.15Å; A24-Q26 VanDerWaalsContact O-N 3.1Å; A24-A127 HydrophobicContact CB-CB 3.29Å
25	A	45.3	Very low	47.6	Very low	98 Å²	98	92.1 Å²	92.1	81%	0.81	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-70.6	-3.4	-175.8	0	0	0	0	0	114.9	A23	A23-A25 VanDerWaalsContact C-N 3.31Å; A23-A25 PolarHBondContact O-N 2.72Å
26	Q	41.3	Very low	47	Very low	183 Å²	183	95.9 Å²	95.9	86%	0.855	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-131.2	17.3	-172.8	-81.2	160.1	-14	0	0	114.5	A24	A24-Q26 PolarHBondContact O-N 3.15Å; A24-Q26 VanDerWaalsContact O-N 3.1Å
27	Y	49.6	Very low	46.6	Very low	77 Å²	77	103.4 Å²	103.4	30%	0.302	58%	0.58	S	S	.	*			trans	-81.2	125.6	-179.9	-175.6	-101.8	0	0	0	112.6	P29 N120	Y27-P29 HydrophobicContact CE1-CB 4.27Å; Y27-N120 HydrophobicContact CE2-CB 3.94Å
28	N	43.3	Very low	46.4	Very low	136 Å²	136	112.5 Å²	112.5	73%	0.727	62%	0.615	S	S	*	*			trans	-115	126	169.5	-165.1	37.8	0	0	0	108.5	E30	N28-E30 PolarHBondContact O-N 2.88Å
29	P	45.9	Very low	46.2	Very low	69 Å²	69	113.7 Å²	113.7	45%	0.448	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-68.4	123.1	-176.3	25.4	-32.3	0	0	0	111.4	Y27	Y27-P29 HydrophobicContact CE1-CB 4.27Å
30	E	55.2	Low	46	Very low	165 Å²	165	118.7 Å²	118.7	77%	0.771	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-85.2	143.8	168.9	-77.6	-171.4	156.9	0	0	110.8	N28	N28-E30 PolarHBondContact O-N 2.88Å
31	P	49.3	Very low	46.1	Very low	109 Å²	109	122.7 Å²	122.7	71%	0.708	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-63.4	153.9	171.4	27.2	-32.9	0	0	0	111
32	P	46.4	Very low	46.4	Very low	120 Å²	120	128 Å²	128	78%	0.779	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-56.6	133.1	-179.4	20.9	-31.1	0	0	0	111.1
33	P	50.4	Low	46.7	Very low	98 Å²	98	124.6 Å²	124.6	64%	0.636	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-70.6	143.5	-170.6	25.5	-32.8	0	0	0	112.2
34	P	47.5	Very low	47.2	Very low	113 Å²	113	129.4 Å²	129.4	73%	0.734	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-65.5	141.1	168.9	-15.5	28.2	0	0	0	111.6	T36	P34-T36 PolarHBondContact O-N 2.81Å
35	R	50.9	Low	48.1	Very low	260 Å²	260	130.4 Å²	130.4	98%	0.981	70%	0.702	S	S	*	*			trans	-57	110.7	177	-68.2	-179.9	174.8	177.4	-2.6	111.1
36	T	41.8	Very low	49.6	Very low	113 Å²	113	128.6 Å²	128.6	69%	0.693	68%	0.684	S	S	*	*			trans	-136.3	146.4	172.1	47.4	0	0	0	0	111.4	P34	P34-T36 PolarHBondContact O-N 2.81Å
37	H	43.8	Very low	51.4	Low	174 Å²	174	125.4 Å²	125.4	81%	0.806	67%	0.669	S	S	*	*			trans	-65.2	133.1	-166.5	-90.4	-98.1	0	0	0	114.2	S39	H37-S39 VanDerWaalsContact C-N 3.28Å; H37-S39 PolarHBondContact O-N 3.15Å
38	Y	47.9	Very low	52.6	Low	195 Å²	195	128.3 Å²	128.3	77%	0.765	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	1.1	-169.5	-77.8	-86.8	0	0	0	118.6
39	S	43.6	Very low	54.2	Low	103 Å²	103	123.5 Å²	123.5	72%	0.72	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-2.5	-164	58	0	0	0	0	116.9	H37	H37-S39 VanDerWaalsContact C-N 3.28Å; H37-S39 PolarHBondContact O-N 3.15Å
40	N	38.6	Very low	56	Low	153 Å²	153	125.8 Å²	125.8	82%	0.818	66%	0.66	S	S	*	*	S	Bend	trans	-124.5	8.4	-173.3	-87.3	-13.4	0	0	0	116.3
41	I	50.2	Low	57.3	Low	96 Å²	96	120.9 Å²	120.9	49%	0.492	64%	0.637	S	S	.	*			trans	-94.6	-18.6	-171.8	-59	178.3	0	0	0	113.7	A43 E45	I41-A43 VanDerWaalsContact C-N 3.25Å; I41-A43 PolarHBondContact O-N 3Å; I41-E45 HydrophobicContact CG2-CG 4.14Å
42	E	52.2	Low	59	Low	173 Å²	173	116.7 Å²	116.7	81%	0.808	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-14.2	-167.7	-65.8	-174.7	153.7	0	0	116
43	A	47.6	Very low	60.9	Low	102 Å²	102	115.4 Å²	115.4	84%	0.843	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-11.1	-171.9	0	0	0	0	0	115.6	I41	I41-A43 VanDerWaalsContact C-N 3.25Å; I41-A43 PolarHBondContact O-N 3Å
44	N	53.6	Low	62.7	Low	158 Å²	158	116.1 Å²	116.1	85%	0.845	58%	0.577	S	S	*	*	S	Bend	trans	-138.9	26	-175	-161.3	42	0	0	0	114.3
45	E	65.3	Low	64.6	Low	44 Å²	44	110.8 Å²	110.8	21%	0.206	54%	0.543	C	S	.	.			trans	-73.2	135.6	175.2	-74	-170.7	165.3	0	0	111.7	I41 V49 R53	I41-E45 HydrophobicContact CG2-CG 4.14Å; E45-V49 HydrophobicContact CB-CB 4.33Å; E45-V49 HydrophobicContact CB-CG1 4.2Å; E45-V49 HydrophobicContact CG-CG1 4.07Å; E45-R53 IonicContact OE1-CZ 3.8Å; E45-R53 VanDerWaalsContact OE1-CZ 3.26Å; E45-R53 IonicContact OE1-NE 3.87Å; E45-R53 PolarHBondContact OE1-NE 3.06Å; E45-R53 IonicContact OE1-NH2 2.71Å; E45-R53 PolarHBondContact OE1-NH2 3.15Å; E45-R53 WeakPolarHBondContact OE2-CD 3.35Å; E45-R53 IonicContact OE2-CZ 3.74Å; E45-R53 IonicContact OE2-NE 2.91Å; E45-R53 PolarHBondContact OE2-NE 3.37Å
46	S	77.7	Confident	66.4	Low	60 Å²	60	98.8 Å²	98.8	42%	0.42	50%	0.498	S	S	.	.			trans	-62.8	156.1	175.1	69.3	0	0	0	0	111.7	E48 V49 R50	S46-E48 PolarHBondContact O-N 2.86Å; S46-V49 PolarHBondContact O-N 3Å; S46-V49 VanDerWaalsContact O-N 3.09Å; S46-V49 WeakPolarHBondContact OG-CG2 3.26Å; S46-V49 PolarHBondContact OG-N 2.89Å; S46-R50 PolarHBondContact O-N 3.24Å; S46-R50 VanDerWaalsContact O-N 3.07Å
47	E	77.7	Confident	68.6	Low	115 Å²	115	95.5 Å²	95.5	54%	0.537	48%	0.482	S	S	.	.	H	α-helix	trans	-55.5	-36.3	176.7	-166.3	77.4	-144.2	0	0	111.3	R50 Q51	E47-R50 PolarHBondContact O-N 2.75Å; E47-Q51 WeakPolarHBondContact O-CB 3.44Å; E47-Q51 VanDerWaalsContact O-CG 3.27Å; E47-Q51 WeakPolarHBondContact O-CG 3.2Å; E47-Q51 PolarHBondContact O-N 3.44Å
48	E	75.3	Confident	70.7	Confident	138 Å²	138	91.1 Å²	91.1	65%	0.645	46%	0.462	S	S	*	.	H	α-helix	trans	-62.2	-45.9	176.1	-66.2	-179.1	-179.4	0	0	112.5	S46 R50 Q51 F52	S46-E48 PolarHBondContact O-N 2.86Å; E48-R50 VanDerWaalsContact C-N 3.31Å; E48-R50 PolarHBondContact O-N 2.9Å; E48-Q51 PolarHBondContact O-N 3.02Å; E48-F52 WeakPolarHBondContact O-CB 3.45Å; E48-F52 PolarHBondContact O-N 2.98Å
49	V	77.7	Confident	72.6	Confident	35 Å²	35	82.7 Å²	82.7	21%	0.212	43%	0.43	C	S	.	.	H	α-helix	trans	-64	-41	178	174.3	0	0	0	0	110.1	E45 S46 F52 R53	E45-V49 HydrophobicContact CB-CB 4.33Å; E45-V49 HydrophobicContact CB-CG1 4.2Å; E45-V49 HydrophobicContact CG-CG1 4.07Å; S46-V49 PolarHBondContact O-N 3Å; S46-V49 VanDerWaalsContact O-N 3.09Å; S46-V49 WeakPolarHBondContact OG-CG2 3.26Å; S46-V49 PolarHBondContact OG-N 2.89Å; V49-F52 PolarHBondContact O-N 2.96Å; V49-R53 WeakPolarHBondContact O-CG 3.45Å; V49-R53 PolarHBondContact O-N 3.09Å
50	R	82.9	Confident	74.8	Confident	117 Å²	117	77.9 Å²	77.9	44%	0.442	40%	0.397	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.3	-171.9	-178.6	-62.9	-164.1	-1.9	112.3	S46 E47 E48 F52 R54	S46-R50 PolarHBondContact O-N 3.24Å; S46-R50 VanDerWaalsContact O-N 3.07Å; E47-R50 PolarHBondContact O-N 2.75Å; E48-R50 VanDerWaalsContact C-N 3.31Å; E48-R50 PolarHBondContact O-N 2.9Å; R50-F52 VanDerWaalsContact C-N 3.34Å; R50-R54 WeakPolarHBondContact O-CG 3.25Å; R50-R54 PolarHBondContact O-N 3.19Å
51	Q	82.3	Confident	77.2	Confident	63 Å²	63	72.3 Å²	72.3	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-40.5	175.6	-75.1	178.9	11.4	0	0	111.5	V16 E47 E48 R54 L55	V16-Q51 HydrophobicContact CG2-CB 4.1Å; E47-Q51 WeakPolarHBondContact O-CB 3.44Å; E47-Q51 VanDerWaalsContact O-CG 3.27Å; E47-Q51 WeakPolarHBondContact O-CG 3.2Å; E47-Q51 PolarHBondContact O-N 3.44Å; E48-Q51 PolarHBondContact O-N 3.02Å; Q51-R54 WeakPolarHBondContact O-CB 3.27Å; Q51-R54 PolarHBondContact O-N 3.33Å; Q51-L55 PolarHBondContact O-N 2.93Å
52	F	85.8	Confident	78.8	Confident	20 Å²	20	76.1 Å²	76.1	9%	0.088	40%	0.397	C	S	.	.	H	α-helix	trans	-66.1	-41.9	177.2	-171.2	-100.5	0	0	0	112.4	E48 V49 R50 R54 L55 F56 F112 F115 K116 W119	E48-F52 WeakPolarHBondContact O-CB 3.45Å; E48-F52 PolarHBondContact O-N 2.98Å; V49-F52 PolarHBondContact O-N 2.96Å; R50-F52 VanDerWaalsContact C-N 3.34Å; F52-R54 VanDerWaalsContact C-N 3.26Å; F52-R54 PolarHBondContact O-N 2.93Å; F52-L55 HydrophobicContact CD2-CD2 4.25Å; F52-L55 HydrophobicContact CE2-CD2 4.2Å; F52-L55 WeakPolarHBondContact O-CB 3.49Å; F52-L55 PolarHBondContact O-N 3.23Å; F52-L55 VanDerWaalsContact O-N 3.14Å; F52-F56 PolarHBondContact O-N 3.1Å; F52-F112 AromaticContact CD1-CE2 3.56Å; F52-F112 HydrophobicContact CD1-CE2 3.56Å; F52-F112 AromaticContact CD1-CZ 3.81Å; F52-F112 HydrophobicContact CD1-CZ 3.81Å; F52-F112 HydrophobicContact CE1-CD2 4.37Å; F52-F112 AromaticContact CE1-CE2 3.75Å; F52-F112 HydrophobicContact CE1-CE2 3.75Å; F52-F112 HydrophobicContact CE1-CZ 4.21Å; F52-F115 HydrophobicContact CE1-CD1 4.08Å; F52-F115 HydrophobicContact CE1-CE1 4.47Å; F52-F115 HydrophobicContact CE2-CD1 4.21Å; F52-F115 AromaticContact CE2-CE1 3.84Å; F52-F115 HydrophobicContact CE2-CE1 3.84Å; F52-F115 AromaticContact CZ-CD1 3.4Å; F52-F115 HydrophobicContact CZ-CD1 3.4Å; F52-F115 VanDerWaalsContact CZ-CD1 3.4Å; F52-F115 AromaticContact CZ-CE1 3.51Å; F52-F115 HydrophobicContact CZ-CE1 3.51Å; F52-F115 HydrophobicContact CZ-CG 4.49Å; F52-K116 HydrophobicContact CD1-CB 4.27Å; F52-K116 HydrophobicContact CD1-CD 4.5Å; F52-K116 HydrophobicContact CD1-CG 4.06Å; F52-K116 VanDerWaalsContact CE1-CA 3.46Å; F52-K116 HydrophobicContact CE1-CB 3.45Å; F52-K116 VanDerWaalsContact CE1-CB 3.45Å; F52-K116 HydrophobicContact CE1-CD 4.44Å; F52-K116 HydrophobicContact CE1-CG 3.69Å; F52-K116 VanDerWaalsContact CZ-CA 3.45Å; F52-K116 HydrophobicContact CZ-CB 4Å; F52-K116 HydrophobicContact CZ-CG 4.32Å; F52-W119 AromaticContact CD2-CD1 3.95Å; F52-W119 HydrophobicContact CE2-CB 3.86Å; F52-W119 AromaticContact CE2-CD1 3.3Å; F52-W119 HydrophobicContact CE2-CD2 4.39Å; F52-W119 AromaticContact CE2-CG 3.58Å; F52-W119 HydrophobicContact CE2-CG 3.58Å; F52-W119 AromaticContact CE2-NE1 3.9Å; F52-W119 HydrophobicContact CZ-CB 3.96Å; F52-W119 HydrophobicContact CZ-CG 4.18Å
53	R	87	Confident	80.6	Confident	93 Å²	93	71.3 Å²	71.3	35%	0.351	38%	0.377	S	S	.	.	H	α-helix	trans	-56.8	-39.5	172	-76	-174.5	-177.1	-69.9	1	112.5	E45 V49 A57 F112	E45-R53 IonicContact OE1-CZ 3.8Å; E45-R53 VanDerWaalsContact OE1-CZ 3.26Å; E45-R53 IonicContact OE1-NE 3.87Å; E45-R53 PolarHBondContact OE1-NE 3.06Å; E45-R53 IonicContact OE1-NH2 2.71Å; E45-R53 PolarHBondContact OE1-NH2 3.15Å; E45-R53 WeakPolarHBondContact OE2-CD 3.35Å; E45-R53 IonicContact OE2-CZ 3.74Å; E45-R53 IonicContact OE2-NE 2.91Å; E45-R53 PolarHBondContact OE2-NE 3.37Å; V49-R53 WeakPolarHBondContact O-CG 3.45Å; V49-R53 PolarHBondContact O-N 3.09Å; R53-A57 WeakPolarHBondContact O-CB 3.31Å; R53-A57 PolarHBondContact O-N 3.1Å; R53-F112 HydrophobicContact CB-CE2 4.29Å; R53-F112 HydrophobicContact CG-CE1 4.36Å; R53-F112 HydrophobicContact CG-CE2 3.6Å; R53-F112 HydrophobicContact CG-CZ 3.46Å; R53-F112 VanDerWaalsContact CG-CZ 3.46Å
54	R	87.2	Confident	82.6	Confident	113 Å²	113	71.6 Å²	71.6	43%	0.426	36%	0.362	S	S	.	.	H	α-helix	trans	-67.4	-41.5	175.7	-70.2	173	-179.3	168.7	1.4	112.3	R50 Q51 F52 Q58	R50-R54 WeakPolarHBondContact O-CG 3.25Å; R50-R54 PolarHBondContact O-N 3.19Å; Q51-R54 WeakPolarHBondContact O-CB 3.27Å; Q51-R54 PolarHBondContact O-N 3.33Å; F52-R54 VanDerWaalsContact C-N 3.26Å; F52-R54 PolarHBondContact O-N 2.93Å; R54-Q58 WeakPolarHBondContact O-CB 3.25Å; R54-Q58 VanDerWaalsContact O-CG 3.31Å; R54-Q58 WeakPolarHBondContact O-CG 3.16Å; R54-Q58 PolarHBondContact O-N 3.35Å; R54-Q58 VanDerWaalsContact O-N 3.09Å
55	L	86.8	Confident	84.5	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-50.8	174.4	173.3	65.5	0	0	0	110.2	L13 V16 Q51 F52 A57 Q58 L59 I74 W119	L13-L55 HydrophobicContact CD2-CD1 3.38Å; V16-L55 HydrophobicContact CG1-CD2 3.99Å; Q51-L55 PolarHBondContact O-N 2.93Å; F52-L55 HydrophobicContact CD2-CD2 4.25Å; F52-L55 HydrophobicContact CE2-CD2 4.2Å; F52-L55 WeakPolarHBondContact O-CB 3.49Å; F52-L55 PolarHBondContact O-N 3.23Å; F52-L55 VanDerWaalsContact O-N 3.14Å; L55-A57 PolarHBondContact O-N 3.35Å; L55-Q58 PolarHBondContact O-N 2.89Å; L55-L59 HydrophobicContact CD1-CD1 3.83Å; L55-L59 HydrophobicContact CD1-CG 4.16Å; L55-L59 HydrophobicContact CG-CD1 3.91Å; L55-L59 WeakPolarHBondContact O-CG 3.26Å; L55-L59 PolarHBondContact O-N 3.37Å; L55-I74 HydrophobicContact CD1-CD1 4.31Å; L55-W119 HydrophobicContact CD2-CZ2 3.91Å
56	F	89.5	Confident	85.9	Confident	7 Å²	7	64.5 Å²	64.5	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-56.2	-52.8	178.3	175.6	-98.9	0	0	0	111.9	F52 Q58 L59 A60 M64 V66 F112 F115	F52-F56 PolarHBondContact O-N 3.1Å; F56-Q58 PolarHBondContact O-N 3.06Å; F56-L59 PolarHBondContact O-N 3.18Å; F56-A60 HydrophobicContact CE1-CB 4.22Å; F56-A60 HydrophobicContact CE2-CB 4.42Å; F56-A60 HydrophobicContact CZ-CB 4.16Å; F56-A60 WeakPolarHBondContact O-CB 3.2Å; F56-A60 PolarHBondContact O-N 3.06Å; F56-M64 HydrophobicContact CE1-CE 4.23Å; F56-M64 WeakPolarHBondContact CZ-O 3.14Å; F56-V66 HydrophobicContact CD2-CG2 3.81Å; F56-V66 HydrophobicContact CE2-CG2 3.67Å; F56-F112 HydrophobicContact CB-CD2 3.85Å; F56-F112 HydrophobicContact CB-CE2 4.13Å; F56-F112 HydrophobicContact CD1-CB 4.23Å; F56-F112 AromaticContact CD1-CD2 3.7Å; F56-F112 HydrophobicContact CD1-CD2 3.7Å; F56-F112 HydrophobicContact CD1-CG 4.44Å; F56-F112 HydrophobicContact CD2-CD2 4.12Å; F56-F112 HydrophobicContact CE1-CB 3.9Å; F56-F112 HydrophobicContact CE1-CD2 4.25Å; F56-F112 HydrophobicContact CE2-CB 4.26Å; F56-F112 AromaticContact CG-CD2 3.61Å; F56-F112 HydrophobicContact CG-CD2 3.61Å; F56-F112 HydrophobicContact CG-CE2 4.38Å; F56-F112 HydrophobicContact CZ-CB 3.9Å; F56-F115 HydrophobicContact CB-CD1 4.4Å; F56-F115 HydrophobicContact CD2-CB 4Å; F56-F115 AromaticContact CD2-CD1 3.62Å; F56-F115 HydrophobicContact CD2-CD1 3.62Å; F56-F115 HydrophobicContact CD2-CE1 4.44Å; F56-F115 HydrophobicContact CD2-CG 4.02Å; F56-F115 HydrophobicContact CE2-CB 4.01Å; F56-F115 HydrophobicContact CE2-CD1 4.45Å; F56-F115 HydrophobicContact CE2-CG 4.44Å
57	A	89	Confident	86.8	Confident	45 Å²	45	62.8 Å²	62.8	37%	0.372	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-33.4	-179.5	0	0	0	0	0	112.9	R53 L55 G61	R53-A57 WeakPolarHBondContact O-CB 3.31Å; R53-A57 PolarHBondContact O-N 3.1Å; L55-A57 PolarHBondContact O-N 3.35Å; A57-G61 PolarHBondContact O-N 2.75Å
58	Q	86.8	Confident	87.7	Confident	81 Å²	81	58 Å²	58	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-73.4	-27.3	175.4	-75.6	179.8	1	0	0	113.6	R54 L55 F56	R54-Q58 WeakPolarHBondContact O-CB 3.25Å; R54-Q58 VanDerWaalsContact O-CG 3.31Å; R54-Q58 WeakPolarHBondContact O-CG 3.16Å; R54-Q58 PolarHBondContact O-N 3.35Å; R54-Q58 VanDerWaalsContact O-N 3.09Å; L55-Q58 PolarHBondContact O-N 2.89Å; F56-Q58 PolarHBondContact O-N 3.06Å
59	L	88.4	Confident	88.7	Confident	19 Å²	19	55 Å²	55	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-84.4	-43.8	179	-70.6	174.2	0	0	0	112.2	L55 F56 V66 E70 I74 F115	L55-L59 HydrophobicContact CD1-CD1 3.83Å; L55-L59 HydrophobicContact CD1-CG 4.16Å; L55-L59 HydrophobicContact CG-CD1 3.91Å; L55-L59 WeakPolarHBondContact O-CG 3.26Å; L55-L59 PolarHBondContact O-N 3.37Å; F56-L59 PolarHBondContact O-N 3.18Å; L59-V66 HydrophobicContact CB-CG2 4.24Å; L59-E70 VanDerWaalsContact O-CD 3.25Å; L59-E70 WeakPolarHBondContact O-CG 3.46Å; L59-I74 HydrophobicContact CD1-CB 4.05Å; L59-I74 HydrophobicContact CD1-CG1 3.94Å; L59-I74 HydrophobicContact CD1-CG2 4.07Å; L59-I74 HydrophobicContact CD2-CB 3.76Å; L59-I74 HydrophobicContact CD2-CD1 4.16Å; L59-I74 HydrophobicContact CD2-CG1 4.11Å; L59-I74 HydrophobicContact CD2-CG2 4.41Å; L59-F115 HydrophobicContact CD1-CE1 4.05Å; L59-F115 HydrophobicContact CD1-CE2 4.37Å; L59-F115 HydrophobicContact CD1-CZ 3.57Å
60	A	88.4	Confident	89.6	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-73.2	-28.1	-177.9	0	0	0	0	0	113.2	F56 D62 E65 V66	F56-A60 HydrophobicContact CE1-CB 4.22Å; F56-A60 HydrophobicContact CE2-CB 4.42Å; F56-A60 HydrophobicContact CZ-CB 4.16Å; F56-A60 WeakPolarHBondContact O-CB 3.2Å; F56-A60 PolarHBondContact O-N 3.06Å; A60-D62 PolarHBondContact O-N 3.28Å; A60-E65 VanDerWaalsContact CA-O 3.3Å; A60-E65 WeakPolarHBondContact CA-O 3.28Å; A60-E65 WeakPolarHBondContact CB-O 3.21Å; A60-V66 HydrophobicContact CB-CG2 4.16Å
61	G	89	Confident	90.2	Very high	37 Å²	37	50 Å²	50	38%	0.381	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	64.1	-137.2	-178.6	0	0	0	0	0	112.3	A57	A57-G61 PolarHBondContact O-N 2.75Å
62	D	85	Confident	90.8	Very high	176 Å²	176	48.9 Å²	48.9	94%	0.941	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-78.8	-25.6	-167.3	-66.4	-22.5	0	0	0	114	A60 M64	A60-D62 PolarHBondContact O-N 3.28Å; D62-M64 VanDerWaalsContact C-N 3.34Å
63	D	89.2	Confident	91.1	Very high	72 Å²	72	51.5 Å²	51.5	39%	0.385	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-86.3	-9	-178.3	64.2	17.6	0	0	0	113.2	E65 K109	D63-E65 PolarHBondContact O-N 2.98Å; D63-E65 PolarHBondContact OD1-N 3.22Å; D63-E65 VanDerWaalsContact OD1-O 3.06Å; D63-K109 IonicContact OD2-NZ 2.98Å; D63-K109 PolarHBondContact OD2-NZ 3.1Å
64	M	90.4	Very high	91.4	Very high	108 Å²	108	47.1 Å²	47.1	53%	0.532	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	28.2	179.5	-65.2	-71	-64.6	0	0	113.8	F56 D62	F56-M64 HydrophobicContact CE1-CE 4.23Å; F56-M64 WeakPolarHBondContact CZ-O 3.14Å; D62-M64 VanDerWaalsContact C-N 3.34Å
65	E	93.6	Very high	91.6	Very high	53 Å²	53	42 Å²	42	25%	0.248	24%	0.237	C	C	.	.	S	Bend	trans	-133.2	150	172.7	-62.7	177.2	152.8	0	0	111.1	A60 D63 K109 L110	A60-E65 VanDerWaalsContact CA-O 3.3Å; A60-E65 WeakPolarHBondContact CA-O 3.28Å; A60-E65 WeakPolarHBondContact CB-O 3.21Å; D63-E65 PolarHBondContact O-N 2.98Å; D63-E65 PolarHBondContact OD1-N 3.22Å; D63-E65 VanDerWaalsContact OD1-O 3.06Å; E65-K109 HydrophobicContact CB-CB 3.66Å; E65-K109 HydrophobicContact CB-CD 3.78Å; E65-K109 HydrophobicContact CB-CG 4.4Å; E65-K109 HydrophobicContact CG-CB 4.48Å; E65-L110 CarbonylContact C-O 3.59Å; E65-L110 WeakPolarHBondContact CA-O 3.31Å
66	V	95.4	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-98.5	114.2	178.2	178	0	0	0	0	110	F56 L59 A60 E70 L71 L110 F115	F56-V66 HydrophobicContact CD2-CG2 3.81Å; F56-V66 HydrophobicContact CE2-CG2 3.67Å; L59-V66 HydrophobicContact CB-CG2 4.24Å; A60-V66 HydrophobicContact CB-CG2 4.16Å; V66-E70 HydrophobicContact CG1-CB 3.96Å; V66-L71 HydrophobicContact CG1-CB 4.26Å; V66-L110 HydrophobicContact CB-CB 4.27Å; V66-L110 PolarHBondContact N-O 2.97Å; V66-L110 PolarHBondContact O-N 2.82Å; V66-F115 HydrophobicContact CB-CD2 4.14Å; V66-F115 HydrophobicContact CG1-CD2 4.03Å; V66-F115 HydrophobicContact CG1-CE2 4.16Å; V66-F115 HydrophobicContact CG2-CB 4.49Å; V66-F115 HydrophobicContact CG2-CD2 4.04Å; V66-F115 HydrophobicContact CG2-CE2 4.44Å; V66-F115 HydrophobicContact CG2-CG 4.08Å
67	S	96.4	Very high	92	Very high	24 Å²	24	48.3 Å²	48.3	17%	0.168	27%	0.267	C	S	.	.			trans	-77.4	165.2	173	70.1	0	0	0	0	112.8	T69 E70 L71	S67-T69 PolarHBondContact O-N 3.1Å; S67-E70 VanDerWaalsContact CB-OE2 3.24Å; S67-E70 WeakPolarHBondContact CB-OE2 3.49Å; S67-E70 PolarHBondContact N-OE2 3.13Å; S67-E70 PolarHBondContact O-N 3.22Å; S67-E70 VanDerWaalsContact O-N 3.13Å; S67-E70 VanDerWaalsContact OG-CD 3.3Å; S67-E70 PolarHBondContact OG-N 2.78Å; S67-E70 PolarHBondContact OG-OE2 2.97Å; S67-L71 PolarHBondContact O-N 3.03Å
68	A	95.8	Very high	91.8	Very high	14 Å²	14	46.6 Å²	46.6	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-57.3	-33.3	174.6	0	0	0	0	0	113	M72 I92 C95 R96 V99	A68-M72 WeakPolarHBondContact O-CB 3.39Å; A68-M72 PolarHBondContact O-N 2.91Å; A68-I92 HydrophobicContact CB-CD1 4.11Å; A68-C95 HydrophobicContact CB-CB 4.32Å; A68-C95 WeakPolarHBondContact O-CB 3.49Å; A68-R96 HydrophobicContact CB-CB 4.38Å; A68-R96 HydrophobicContact CB-CG 3.71Å; A68-V99 HydrophobicContact CB-CG2 4.02Å
69	T	96.3	Very high	92	Very high	74 Å²	74	43.4 Å²	43.4	45%	0.454	24%	0.237	S	C	.	.	H	α-helix	trans	-70	-41.6	177.6	-53	0	0	0	0	111.4	S67 M72 N73	S67-T69 PolarHBondContact O-N 3.1Å; T69-M72 PolarHBondContact O-N 2.7Å; T69-N73 WeakPolarHBondContact O-CB 3.33Å; T69-N73 PolarHBondContact O-N 3.37Å; T69-N73 PolarHBondContact O-ND2 2.87Å; T69-N73 VanDerWaalsContact O-ND2 3.15Å
70	E	95.8	Very high	92	Very high	48 Å²	48	48.1 Å²	48.1	22%	0.224	27%	0.267	C	S	.	.	H	α-helix	trans	-67.8	-40.4	176.4	-74.4	146.8	166	0	0	111.4	L59 V66 S67 N73 I74	L59-E70 VanDerWaalsContact O-CD 3.25Å; L59-E70 WeakPolarHBondContact O-CG 3.46Å; V66-E70 HydrophobicContact CG1-CB 3.96Å; S67-E70 VanDerWaalsContact CB-OE2 3.24Å; S67-E70 WeakPolarHBondContact CB-OE2 3.49Å; S67-E70 PolarHBondContact N-OE2 3.13Å; S67-E70 PolarHBondContact O-N 3.22Å; S67-E70 VanDerWaalsContact O-N 3.13Å; S67-E70 VanDerWaalsContact OG-CD 3.3Å; S67-E70 PolarHBondContact OG-N 2.78Å; S67-E70 PolarHBondContact OG-OE2 2.97Å; E70-N73 PolarHBondContact O-N 3Å; E70-I74 WeakPolarHBondContact O-CG2 3.13Å; E70-I74 PolarHBondContact O-N 2.57Å
71	L	95.4	Very high	92	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.7	-50.8	172.4	-178	62.5	0	0	0	111.1	V66 S67 N73 I74 L75 C95 M98 V99 F115 L118	V66-L71 HydrophobicContact CG1-CB 4.26Å; S67-L71 PolarHBondContact O-N 3.03Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.43Å; L71-I74 HydrophobicContact CD1-CG2 4.4Å; L71-I74 WeakPolarHBondContact O-CG2 3.45Å; L71-I74 PolarHBondContact O-N 2.87Å; L71-L75 HydrophobicContact CD1-CD1 3.99Å; L71-L75 HydrophobicContact CD1-CG 4.09Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.39Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.47Å; L71-C95 HydrophobicContact CB-CB 4.49Å; L71-C95 HydrophobicContact CD2-CB 4.2Å; L71-C95 HydrophobicContact CG-CB 4.41Å; L71-M98 HydrophobicContact CD2-CB 3.95Å; L71-M98 HydrophobicContact CD2-SD 4.34Å; L71-V99 HydrophobicContact CD2-CG2 3.97Å; L71-F115 HydrophobicContact CD1-CE2 4.13Å; L71-L118 HydrophobicContact CD1-CD2 4.12Å; L71-L118 HydrophobicContact CD2-CD2 3.84Å
72	M	95.4	Very high	91.8	Very high	40 Å²	40	52.7 Å²	52.7	20%	0.197	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-46.3	176.5	-174.7	-170.2	69.4	0	0	111.7	A68 T69 I74 L75 N76 F90 I92 C95	A68-M72 WeakPolarHBondContact O-CB 3.39Å; A68-M72 PolarHBondContact O-N 2.91Å; T69-M72 PolarHBondContact O-N 2.7Å; M72-I74 PolarHBondContact O-N 2.62Å; M72-L75 PolarHBondContact O-N 3.5Å; M72-N76 WeakPolarHBondContact O-CB 3.24Å; M72-N76 PolarHBondContact O-N 3Å; M72-N76 PolarHBondContact O-ND2 3.34Å; M72-F90 WeakPolarHBondContact CG-O 3.47Å; M72-I92 HydrophobicContact SD-CB 3.9Å; M72-I92 HydrophobicContact SD-CD1 4.16Å; M72-C95 WeakPolarHBondContact CA-SG 3.33Å; M72-C95 HydrophobicContact CB-CB 4.11Å
73	N	93.4	Very high	91.9	Very high	74 Å²	74	50.2 Å²	50.2	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-40.5	-179.4	-72.7	-27.7	0	0	0	112.5	T69 E70 L71 K77	T69-N73 WeakPolarHBondContact O-CB 3.33Å; T69-N73 PolarHBondContact O-N 3.37Å; T69-N73 PolarHBondContact O-ND2 2.87Å; T69-N73 VanDerWaalsContact O-ND2 3.15Å; E70-N73 PolarHBondContact O-N 3Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-N73 PolarHBondContact O-N 3.43Å; N73-K77 WeakPolarHBondContact O-CB 3.47Å; N73-K77 VanDerWaalsContact O-CG 3.23Å; N73-K77 WeakPolarHBondContact O-CG 3.37Å; N73-K77 PolarHBondContact O-N 3.1Å; N73-K77 VanDerWaalsContact O-N 3.13Å
74	I	91.8	Very high	91.8	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-73.2	-41	179	-172.2	60.3	0	0	0	111.9	I17 L55 L59 E70 L71 M72 N76 K77 V78 W119	I17-I74 HydrophobicContact CD1-CD1 4.3Å; L55-I74 HydrophobicContact CD1-CD1 4.31Å; L59-I74 HydrophobicContact CD1-CB 4.05Å; L59-I74 HydrophobicContact CD1-CG1 3.94Å; L59-I74 HydrophobicContact CD1-CG2 4.07Å; L59-I74 HydrophobicContact CD2-CB 3.76Å; L59-I74 HydrophobicContact CD2-CD1 4.16Å; L59-I74 HydrophobicContact CD2-CG1 4.11Å; L59-I74 HydrophobicContact CD2-CG2 4.41Å; E70-I74 WeakPolarHBondContact O-CG2 3.13Å; E70-I74 PolarHBondContact O-N 2.57Å; L71-I74 HydrophobicContact CD1-CG2 4.4Å; L71-I74 WeakPolarHBondContact O-CG2 3.45Å; L71-I74 PolarHBondContact O-N 2.87Å; M72-I74 PolarHBondContact O-N 2.62Å; I74-N76 VanDerWaalsContact C-N 3.34Å; I74-N76 PolarHBondContact O-N 2.94Å; I74-K77 HydrophobicContact CD1-CB 4.47Å; I74-K77 HydrophobicContact CD1-CD 4.5Å; I74-K77 WeakPolarHBondContact O-CB 3.18Å; I74-K77 PolarHBondContact O-N 3.4Å; I74-K77 VanDerWaalsContact O-N 3.15Å; I74-V78 WeakPolarHBondContact O-CG2 3.5Å; I74-V78 PolarHBondContact O-N 2.98Å; I74-W119 HydrophobicContact CD1-CH2 4.47Å; I74-W119 HydrophobicContact CG1-CH2 3.62Å; I74-W119 HydrophobicContact CG1-CZ3 3.88Å; I74-W119 HydrophobicContact CG2-CZ3 4.01Å
75	L	92.3	Very high	91.8	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-42.6	177.9	-64.1	178.7	0	0	0	111.1	L71 M72 K77 V78 V79 F90 M98 W119 I122	L71-L75 HydrophobicContact CD1-CD1 3.99Å; L71-L75 HydrophobicContact CD1-CG 4.09Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.39Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 3.47Å; M72-L75 PolarHBondContact O-N 3.5Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 3.23Å; L75-V78 WeakPolarHBondContact O-CB 3.43Å; L75-V78 PolarHBondContact O-N 3.34Å; L75-V78 VanDerWaalsContact O-N 3.07Å; L75-V79 PolarHBondContact O-N 3.09Å; L75-F90 HydrophobicContact CB-CB 4.23Å; L75-F90 HydrophobicContact CB-CD1 4.39Å; L75-F90 HydrophobicContact CB-CD2 3.62Å; L75-F90 HydrophobicContact CB-CE2 4.06Å; L75-F90 HydrophobicContact CB-CG 3.8Å; L75-F90 HydrophobicContact CD1-CD1 3.76Å; L75-F90 HydrophobicContact CD1-CD2 4.47Å; L75-F90 HydrophobicContact CD1-CE1 4.04Å; L75-F90 HydrophobicContact CD1-CG 3.99Å; L75-M98 HydrophobicContact CD1-SD 4.22Å; L75-W119 HydrophobicContact CD2-CZ3 4Å; L75-I122 HydrophobicContact CD1-CD1 4.44Å; L75-I122 HydrophobicContact CD2-CD1 3.88Å; L75-I122 HydrophobicContact CD2-CG2 4.16Å
76	N	93.4	Very high	91.8	Very high	44 Å²	44	48.6 Å²	48.6	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-32.2	175.1	-75.7	-34.1	0	0	0	113.1	M72 I74 V79 T80 G89 F90	M72-N76 WeakPolarHBondContact O-CB 3.24Å; M72-N76 PolarHBondContact O-N 3Å; M72-N76 PolarHBondContact O-ND2 3.34Å; I74-N76 VanDerWaalsContact C-N 3.34Å; I74-N76 PolarHBondContact O-N 2.94Å; N76-V79 VanDerWaalsContact O-CG2 3.31Å; N76-V79 WeakPolarHBondContact O-CG2 3.42Å; N76-T80 WeakPolarHBondContact O-CB 3.25Å; N76-T80 PolarHBondContact O-N 3.15Å; N76-T80 PolarHBondContact O-OG1 3.37Å; N76-G89 WeakPolarHBondContact OD1-CA 3.31Å; N76-F90 PolarHBondContact ND2-O 2.91Å; N76-F90 PolarHBondContact OD1-N 3.27Å
77	K	90.3	Very high	91.7	Very high	99 Å²	99	50.8 Å²	50.8	43%	0.43	27%	0.27	S	S	.	.	H	α-helix	trans	-68	-34.7	171	-77.5	170.9	-174.5	173.7	0	112.7	N73 I74 L75	N73-K77 WeakPolarHBondContact O-CB 3.47Å; N73-K77 VanDerWaalsContact O-CG 3.23Å; N73-K77 WeakPolarHBondContact O-CG 3.37Å; N73-K77 PolarHBondContact O-N 3.1Å; N73-K77 VanDerWaalsContact O-N 3.13Å; I74-K77 HydrophobicContact CD1-CB 4.47Å; I74-K77 HydrophobicContact CD1-CD 4.5Å; I74-K77 WeakPolarHBondContact O-CB 3.18Å; I74-K77 PolarHBondContact O-N 3.4Å; I74-K77 VanDerWaalsContact O-N 3.15Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 3.23Å
78	V	86.2	Confident	91.5	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-66.9	-52.4	177.2	170.3	0	0	0	0	110.2	I17 I74 L75 T80 R81 H82 W119	I17-V78 HydrophobicContact CG1-CG2 4.44Å; I17-V78 HydrophobicContact CG2-CG2 4.2Å; I74-V78 WeakPolarHBondContact O-CG2 3.5Å; I74-V78 PolarHBondContact O-N 2.98Å; L75-V78 WeakPolarHBondContact O-CB 3.43Å; L75-V78 PolarHBondContact O-N 3.34Å; L75-V78 VanDerWaalsContact O-N 3.07Å; V78-T80 VanDerWaalsContact C-N 3.27Å; V78-T80 PolarHBondContact O-N 3.13Å; V78-R81 WeakPolarHBondContact O-CB 3.46Å; V78-R81 PolarHBondContact O-N 2.95Å; V78-H82 PolarHBondContact O-CD2 3.03Å; V78-H82 PolarHBondContact O-N 3.47Å; V78-W119 HydrophobicContact CG2-CH2 3.78Å; V78-W119 HydrophobicContact CG2-CZ2 4.45Å
79	V	89.4	Confident	91.4	Very high	14 Å²	14	56 Å²	56	9%	0.085	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-33.5	-178.5	-59.3	0	0	0	0	112.7	L75 N76 R81 H82 T87 F90 F177	L75-V79 PolarHBondContact O-N 3.09Å; N76-V79 VanDerWaalsContact O-CG2 3.31Å; N76-V79 WeakPolarHBondContact O-CG2 3.42Å; V79-R81 PolarHBondContact O-N 3.14Å; V79-R81 VanDerWaalsContact O-N 3.1Å; V79-H82 CarbonylContact O-C 3.44Å; V79-H82 PolarHBondContact O-N 2.91Å; V79-T87 HydrophobicContact CB-CG2 3.79Å; V79-T87 HydrophobicContact CG1-CG2 4.12Å; V79-T87 HydrophobicContact CG2-CG2 3.97Å; V79-F90 HydrophobicContact CG1-CD2 4.3Å; V79-F90 HydrophobicContact CG1-CE2 3.76Å; V79-F177 HydrophobicContact CG1-CD1 3.61Å; V79-F177 HydrophobicContact CG1-CE1 3.71Å
80	T	89	Confident	91.2	Very high	118 Å²	118	52.8 Å²	52.8	72%	0.724	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24	174.1	-57.7	0	0	0	0	112.9	N76 V78	N76-T80 WeakPolarHBondContact O-CB 3.25Å; N76-T80 PolarHBondContact O-N 3.15Å; N76-T80 PolarHBondContact O-OG1 3.37Å; V78-T80 VanDerWaalsContact C-N 3.27Å; V78-T80 PolarHBondContact O-N 3.13Å
81	R	87.8	Confident	91.1	Very high	116 Å²	116	52.2 Å²	52.2	44%	0.438	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-6.7	177.9	-70.4	173.4	175.5	-100.7	2.3	113.6	I17 V78 V79 P83	I17-R81 HydrophobicContact CG2-CB 4.39Å; I17-R81 VanDerWaalsContact CG2-CD 3.41Å; V78-R81 WeakPolarHBondContact O-CB 3.46Å; V78-R81 PolarHBondContact O-N 2.95Å; V79-R81 PolarHBondContact O-N 3.14Å; V79-R81 VanDerWaalsContact O-N 3.1Å; R81-P83 WeakPolarHBondContact O-CD 2.99Å
82	H	86.4	Confident	91	Very high	18 Å²	18	54.5 Å²	54.5	8%	0.083	30%	0.297	C	S	.	.			trans	-123.8	77.1	-178.1	-71	-66.2	0	0	0	109.8	V78 V79 D84 L85 Q126 K130	V78-H82 PolarHBondContact O-CD2 3.03Å; V78-H82 PolarHBondContact O-N 3.47Å; V79-H82 CarbonylContact O-C 3.44Å; V79-H82 PolarHBondContact O-N 2.91Å; H82-D84 VanDerWaalsContact CA-OD1 3.24Å; H82-D84 WeakPolarHBondContact CA-OD1 3.39Å; H82-D84 WeakPolarHBondContact CB-OD1 3.28Å; H82-D84 IonicContact ND1-OD1 3.95Å; H82-D84 PolarHBondContact O-N 3.01Å; H82-D84 VanDerWaalsContact O-N 3.1Å; H82-L85 HydrophobicContact CB-CB 4.47Å; H82-L85 HydrophobicContact CB-CD1 3.63Å; H82-L85 HydrophobicContact CB-CG 3.86Å; H82-L85 WeakPolarHBondContact O-CB 3.36Å; H82-L85 PolarHBondContact O-N 3.24Å; H82-Q126 PolarHBondContact CD2-NE2 3.32Å; H82-Q126 PolarHBondContact NE2-NE2 2.95Å; H82-K130 PolarHBondContact ND1-NZ 3.28Å
83	P	86.5	Confident	90.8	Very high	124 Å²	124	57.7 Å²	57.7	81%	0.805	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.1	-179	30.7	-36.7	0	0	0	113.1	R81 L85	R81-P83 WeakPolarHBondContact O-CD 2.99Å; P83-L85 VanDerWaalsContact C-N 3.25Å
84	D	87.3	Confident	90.6	Very high	76 Å²	76	56.2 Å²	56.2	41%	0.406	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18.5	170.3	54.2	-49.9	0	0	0	113.1	H82 K130 G138	H82-D84 VanDerWaalsContact CA-OD1 3.24Å; H82-D84 WeakPolarHBondContact CA-OD1 3.39Å; H82-D84 WeakPolarHBondContact CB-OD1 3.28Å; H82-D84 IonicContact ND1-OD1 3.95Å; H82-D84 PolarHBondContact O-N 3.01Å; H82-D84 VanDerWaalsContact O-N 3.1Å; D84-K130 IonicContact OD1-NZ 3.74Å; D84-K130 WeakPolarHBondContact OD2-CE 3.31Å; D84-K130 IonicContact OD2-NZ 2.58Å; D84-K130 PolarHBondContact OD2-NZ 3.33Å; D84-G138 WeakPolarHBondContact O-CA 3.23Å
85	L	90.8	Very high	90.7	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.047	31%	0.308	C	S	.	.	S	Bend	trans	-93.3	114.2	176	-57.7	177.3	0	0	0	109.5	H82 P83 Q126 Y129 K130 F177	H82-L85 HydrophobicContact CB-CB 4.47Å; H82-L85 HydrophobicContact CB-CD1 3.63Å; H82-L85 HydrophobicContact CB-CG 3.86Å; H82-L85 WeakPolarHBondContact O-CB 3.36Å; H82-L85 PolarHBondContact O-N 3.24Å; P83-L85 VanDerWaalsContact C-N 3.25Å; L85-Q126 HydrophobicContact CD1-CG 4.27Å; L85-Y129 HydrophobicContact CD2-CD1 3.66Å; L85-Y129 HydrophobicContact CD2-CE1 3.9Å; L85-K130 HydrophobicContact CD2-CG 4.12Å; L85-F177 HydrophobicContact CB-CB 4.13Å; L85-F177 HydrophobicContact CB-CD1 4.46Å; L85-F177 HydrophobicContact CB-CG 4.17Å; L85-F177 HydrophobicContact CD1-CD1 3.93Å; L85-F177 HydrophobicContact CD1-CD2 4.09Å; L85-F177 HydrophobicContact CD1-CE1 3.91Å; L85-F177 HydrophobicContact CD1-CE2 4.09Å; L85-F177 HydrophobicContact CD1-CG 4.01Å; L85-F177 HydrophobicContact CD1-CZ 3.99Å; L85-F177 HydrophobicContact CD2-CD2 3.98Å; L85-F177 HydrophobicContact CD2-CE2 4.42Å; L85-F177 HydrophobicContact CD2-CG 4.3Å; L85-F177 HydrophobicContact CG-CD2 4.48Å; L85-F177 HydrophobicContact CG-CG 4.39Å
86	K	93.3	Very high	90.8	Very high	115 Å²	115	62.5 Å²	62.5	50%	0.5	33%	0.332	S	S	.	.			trans	-73.4	136.7	166.5	-71.8	177.3	169.7	163.2	0	109.2	S137 G138 T139 D176 F177	K86-S137 VanDerWaalsContact CD-O 3.31Å; K86-S137 WeakPolarHBondContact CD-O 3.39Å; K86-S137 WeakPolarHBondContact CE-O 3.44Å; K86-S137 PolarHBondContact NZ-O 3.46Å; K86-G138 VanDerWaalsContact CB-O 3.26Å; K86-G138 WeakPolarHBondContact CB-O 3.27Å; K86-G138 PolarHBondContact N-O 2.96Å; K86-G138 VanDerWaalsContact N-O 3.1Å; K86-T139 HydrophobicContact CB-CG2 4.14Å; K86-T139 HydrophobicContact CD-CG2 3.88Å; K86-D176 WeakPolarHBondContact O-CB 3.38Å; K86-F177 VanDerWaalsContact O-CB 3.25Å; K86-F177 WeakPolarHBondContact O-CB 3.45Å; K86-F177 PolarHBondContact O-N 2.98Å
87	T	93.8	Very high	90.6	Very high	45 Å²	45	63.1 Å²	63.1	28%	0.276	34%	0.339	S	S	.	.			trans	-167	150.6	-179.6	179.2	0	0	0	0	108.9	V79 G89 D178	V79-T87 HydrophobicContact CB-CG2 3.79Å; V79-T87 HydrophobicContact CG1-CG2 4.12Å; V79-T87 HydrophobicContact CG2-CG2 3.97Å; T87-G89 PolarHBondContact OG1-N 3.46Å; T87-D178 VanDerWaalsContact CA-OD1 3.27Å; T87-D178 WeakPolarHBondContact CA-OD1 3.45Å; T87-D178 VanDerWaalsContact CB-OD1 3.25Å; T87-D178 WeakPolarHBondContact CB-OD1 3.35Å; T87-D178 WeakPolarHBondContact OG1-CB 3.44Å; T87-D178 PolarHBondContact OG1-OD1 3.24Å
88	D	91.9	Very high	90.6	Very high	131 Å²	131	58.6 Å²	58.6	70%	0.701	32%	0.32	S	S	*	.	S	Bend	trans	-92.9	-5.6	165.6	68	-5.4	0	0	0	112.5	D178	D88-D178 PolarHBondContact N-OD1 3.47Å
89	G	92.5	Very high	90.9	Very high	18 Å²	18	58.6 Å²	58.6	19%	0.186	32%	0.32	C	S	.	.			trans	106.1	152.7	177.4	0	0	0	0	0	112.8	N76 T87 G91	N76-G89 WeakPolarHBondContact OD1-CA 3.31Å; T87-G89 PolarHBondContact OG1-N 3.46Å; G89-G91 PolarHBondContact O-N 3.04Å
90	F	93.3	Very high	90.8	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.026	34%	0.342	C	S	.	.			trans	-71.7	117.5	176	-71.3	-93.5	0	0	0	110.2	M72 L75 N76 V79 T94 M98 F177 D178 I181	M72-F90 WeakPolarHBondContact CG-O 3.47Å; L75-F90 HydrophobicContact CB-CB 4.23Å; L75-F90 HydrophobicContact CB-CD1 4.39Å; L75-F90 HydrophobicContact CB-CD2 3.62Å; L75-F90 HydrophobicContact CB-CE2 4.06Å; L75-F90 HydrophobicContact CB-CG 3.8Å; L75-F90 HydrophobicContact CD1-CD1 3.76Å; L75-F90 HydrophobicContact CD1-CD2 4.47Å; L75-F90 HydrophobicContact CD1-CE1 4.04Å; L75-F90 HydrophobicContact CD1-CG 3.99Å; N76-F90 PolarHBondContact ND2-O 2.91Å; N76-F90 PolarHBondContact OD1-N 3.27Å; V79-F90 HydrophobicContact CG1-CD2 4.3Å; V79-F90 HydrophobicContact CG1-CE2 3.76Å; F90-T94 HydrophobicContact CD1-CG2 4.16Å; F90-M98 HydrophobicContact CD1-CE 4.38Å; F90-M98 HydrophobicContact CE1-CE 4.16Å; F90-F177 HydrophobicContact CE2-CD1 4Å; F90-F177 AromaticContact CE2-CE1 3.92Å; F90-F177 HydrophobicContact CE2-CE1 3.92Å; F90-F177 HydrophobicContact CZ-CD1 4.08Å; F90-F177 AromaticContact CZ-CE1 3.9Å; F90-F177 HydrophobicContact CZ-CE1 3.9Å; F90-D178 HydrophobicContact CD1-CB 4.18Å; F90-D178 HydrophobicContact CD2-CB 4.24Å; F90-D178 HydrophobicContact CE1-CB 4.03Å; F90-D178 HydrophobicContact CE2-CB 4.09Å; F90-D178 HydrophobicContact CG-CB 4.29Å; F90-D178 HydrophobicContact CZ-CB 3.99Å; F90-I181 HydrophobicContact CE1-CB 3.89Å; F90-I181 HydrophobicContact CE1-CG2 3.84Å; F90-I181 HydrophobicContact CZ-CB 3.95Å; F90-I181 HydrophobicContact CZ-CG1 4.12Å; F90-I181 HydrophobicContact CZ-CG2 4.13Å
91	G	93.1	Very high	90.4	Very high	36 Å²	36	58.5 Å²	58.5	37%	0.371	33%	0.326	S	S	.	.			trans	-77.8	158.3	172.7	0	0	0	0	0	113.3	G89 D93 T94 C95	G89-G91 PolarHBondContact O-N 3.04Å; G91-D93 VanDerWaalsContact C-N 3.3Å; G91-D93 PolarHBondContact O-N 3.32Å; G91-T94 WeakPolarHBondContact O-CB 3.41Å; G91-T94 PolarHBondContact O-N 3.07Å; G91-C95 PolarHBondContact O-N 2.96Å; G91-C95 VanDerWaalsContact O-N 3.16Å
92	I	94.1	Very high	90.3	Very high	47 Å²	47	54.3 Å²	54.3	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-34.4	-178.3	-170	58.7	0	0	0	112.9	A68 M72 C95 R96	A68-I92 HydrophobicContact CB-CD1 4.11Å; M72-I92 HydrophobicContact SD-CB 3.9Å; M72-I92 HydrophobicContact SD-CD1 4.16Å; I92-C95 PolarHBondContact O-N 3.49Å; I92-R96 HydrophobicContact CG1-CG 4.46Å; I92-R96 WeakPolarHBondContact O-CB 3.39Å; I92-R96 VanDerWaalsContact O-CG 3.31Å; I92-R96 WeakPolarHBondContact O-CG 3.23Å; I92-R96 PolarHBondContact O-N 3.41Å
93	D	90.4	Very high	90.4	Very high	108 Å²	108	54.5 Å²	54.5	58%	0.578	31%	0.313	S	S	*	.	H	α-helix	trans	-70.5	-38.1	-178.7	-64.2	-35	0	0	0	111.4	G91 R96 S97	G91-D93 VanDerWaalsContact C-N 3.3Å; G91-D93 PolarHBondContact O-N 3.32Å; D93-R96 PolarHBondContact O-N 3.16Å; D93-R96 IonicContact OD1-NH1 3.26Å; D93-R96 PolarHBondContact OD1-NH1 2.84Å; D93-S97 PolarHBondContact O-N 3.35Å; D93-S97 PolarHBondContact O-OG 3.28Å
94	T	89.8	Confident	90.3	Very high	43 Å²	43	53.3 Å²	53.3	26%	0.264	31%	0.308	S	S	.	.	H	α-helix	trans	-56.8	-50.3	168.7	-65.7	0	0	0	0	111.3	F90 G91 R96 S97 M98 S182	F90-T94 HydrophobicContact CD1-CG2 4.16Å; G91-T94 WeakPolarHBondContact O-CB 3.41Å; G91-T94 PolarHBondContact O-N 3.07Å; T94-R96 VanDerWaalsContact C-N 3.33Å; T94-R96 PolarHBondContact O-N 3.36Å; T94-S97 PolarHBondContact O-N 3.42Å; T94-M98 HydrophobicContact CG2-CE 3.47Å; T94-M98 VanDerWaalsContact CG2-CE 3.47Å; T94-M98 HydrophobicContact CG2-SD 4.22Å; T94-M98 WeakPolarHBondContact O-CG 3.42Å; T94-M98 PolarHBondContact O-N 3.31Å; T94-S182 WeakPolarHBondContact CG2-OG 3.03Å
95	C	94.1	Very high	90.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-32.9	-179.4	-65.5	0	0	0	0	112.6	A68 L71 M72 G91 I92 M98 V99	A68-C95 HydrophobicContact CB-CB 4.32Å; A68-C95 WeakPolarHBondContact O-CB 3.49Å; L71-C95 HydrophobicContact CB-CB 4.49Å; L71-C95 HydrophobicContact CD2-CB 4.2Å; L71-C95 HydrophobicContact CG-CB 4.41Å; M72-C95 WeakPolarHBondContact CA-SG 3.33Å; M72-C95 HydrophobicContact CB-CB 4.11Å; G91-C95 PolarHBondContact O-N 2.96Å; G91-C95 VanDerWaalsContact O-N 3.16Å; I92-C95 PolarHBondContact O-N 3.49Å; C95-M98 PolarHBondContact O-N 2.86Å; C95-V99 WeakPolarHBondContact O-CG2 3.18Å; C95-V99 PolarHBondContact O-N 3.06Å
96	R	93.1	Very high	90.2	Very high	138 Å²	138	59.3 Å²	59.3	52%	0.521	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-45.1	171.5	-77.5	171.3	176.1	150.5	-2.7	111.5	A68 I92 D93 T94 M98 V99 A100	A68-R96 HydrophobicContact CB-CB 4.38Å; A68-R96 HydrophobicContact CB-CG 3.71Å; I92-R96 HydrophobicContact CG1-CG 4.46Å; I92-R96 WeakPolarHBondContact O-CB 3.39Å; I92-R96 VanDerWaalsContact O-CG 3.31Å; I92-R96 WeakPolarHBondContact O-CG 3.23Å; I92-R96 PolarHBondContact O-N 3.41Å; D93-R96 PolarHBondContact O-N 3.16Å; D93-R96 IonicContact OD1-NH1 3.26Å; D93-R96 PolarHBondContact OD1-NH1 2.84Å; T94-R96 VanDerWaalsContact C-N 3.33Å; T94-R96 PolarHBondContact O-N 3.36Å; R96-M98 VanDerWaalsContact C-N 3.33Å; R96-M98 PolarHBondContact O-N 3.43Å; R96-V99 PolarHBondContact O-N 3.34Å; R96-A100 VanDerWaalsContact O-CB 3.27Å; R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.47Å
97	S	89.2	Confident	90.1	Very high	57 Å²	57	56.8 Å²	56.8	40%	0.399	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-41.5	175.7	-72	0	0	0	0	111.9	D93 T94 A100 V101	D93-S97 PolarHBondContact O-N 3.35Å; D93-S97 PolarHBondContact O-OG 3.28Å; T94-S97 PolarHBondContact O-N 3.42Å; S97-A100 PolarHBondContact O-N 3.39Å; S97-V101 PolarHBondContact O-N 3.04Å
98	M	90.6	Very high	89.9	Confident	4 Å²	4	57 Å²	57	2%	0.02	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-46.1	175.1	-69.1	171.9	-178.7	0	0	112.1	L71 L75 F90 T94 C95 R96 M102 L118 I181 A185	L71-M98 HydrophobicContact CD2-CB 3.95Å; L71-M98 HydrophobicContact CD2-SD 4.34Å; L75-M98 HydrophobicContact CD1-SD 4.22Å; F90-M98 HydrophobicContact CD1-CE 4.38Å; F90-M98 HydrophobicContact CE1-CE 4.16Å; T94-M98 HydrophobicContact CG2-CE 3.47Å; T94-M98 VanDerWaalsContact CG2-CE 3.47Å; T94-M98 HydrophobicContact CG2-SD 4.22Å; T94-M98 WeakPolarHBondContact O-CG 3.42Å; T94-M98 PolarHBondContact O-N 3.31Å; C95-M98 PolarHBondContact O-N 2.86Å; R96-M98 VanDerWaalsContact C-N 3.33Å; R96-M98 PolarHBondContact O-N 3.43Å; M98-M102 VanDerWaalsContact O-CG 3.31Å; M98-M102 WeakPolarHBondContact O-CG 3.46Å; M98-M102 PolarHBondContact O-N 3.41Å; M98-L118 HydrophobicContact CB-CD2 4.4Å; M98-I181 HydrophobicContact CE-CG2 3.73Å; M98-A185 HydrophobicContact CE-CB 4.09Å; M98-A185 HydrophobicContact CG-CB 3.92Å
99	V	91.7	Very high	90.1	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-49.8	177.9	169.3	0	0	0	0	110.6	A68 L71 C95 R96 V101 M102 D103 L110	A68-V99 HydrophobicContact CB-CG2 4.02Å; L71-V99 HydrophobicContact CD2-CG2 3.97Å; C95-V99 WeakPolarHBondContact O-CG2 3.18Å; C95-V99 PolarHBondContact O-N 3.06Å; R96-V99 PolarHBondContact O-N 3.34Å; V99-V101 PolarHBondContact O-N 2.93Å; V99-M102 PolarHBondContact O-N 3.14Å; V99-M102 VanDerWaalsContact O-N 3.11Å; V99-D103 WeakPolarHBondContact O-CB 3.32Å; V99-D103 PolarHBondContact O-N 3.09Å; V99-L110 HydrophobicContact CB-CD2 4.45Å; V99-L110 HydrophobicContact CB-CG 4.44Å; V99-L110 HydrophobicContact CG1-CD2 4.1Å; V99-L110 HydrophobicContact CG1-CG 4.19Å; V99-L110 HydrophobicContact CG2-CD1 4Å; V99-L110 HydrophobicContact CG2-CG 4.04Å
100	A	88.6	Confident	90.1	Very high	67 Å²	67	52.7 Å²	52.7	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-57.5	-21.2	-173.9	0	0	0	0	0	114.2	R96 S97	R96-A100 VanDerWaalsContact O-CB 3.27Å; R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.47Å; S97-A100 PolarHBondContact O-N 3.39Å
101	V	81.3	Confident	90.1	Very high	64 Å²	64	53.1 Å²	53.1	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-107.3	-22.1	178.8	-165.7	0	0	0	0	114.2	S97 V99 D103 I189	S97-V101 PolarHBondContact O-N 3.04Å; V99-V101 PolarHBondContact O-N 2.93Å; V101-D103 VanDerWaalsContact C-N 3.34Å; V101-I189 HydrophobicContact CB-CB 4.26Å; V101-I189 HydrophobicContact CB-CD1 3.36Å; V101-I189 HydrophobicContact CB-CG1 3.47Å; V101-I189 VanDerWaalsContact CB-CG1 3.47Å; V101-I189 HydrophobicContact CB-CG2 4.07Å; V101-I189 HydrophobicContact CG1-CB 3.78Å; V101-I189 HydrophobicContact CG1-CD1 3.85Å; V101-I189 HydrophobicContact CG1-CG1 3.3Å; V101-I189 HydrophobicContact CG1-CG2 3.66Å; V101-I189 HydrophobicContact CG2-CB 4.34Å; V101-I189 HydrophobicContact CG2-CD1 3.52Å; V101-I189 HydrophobicContact CG2-CG1 3.93Å; V101-I189 HydrophobicContact CG2-CG2 3.67Å
102	M	85.7	Confident	89.9	Confident	28 Å²	28	52.9 Å²	52.9	14%	0.138	32%	0.315	C	S	.	.	H	α-helix	trans	-79.7	-24.2	170.2	-63.9	-66.7	105.8	0	0	111.9	M98 V99 S104 L110 E114 Y117 L118 I189	M98-M102 VanDerWaalsContact O-CG 3.31Å; M98-M102 WeakPolarHBondContact O-CG 3.46Å; M98-M102 PolarHBondContact O-N 3.41Å; V99-M102 PolarHBondContact O-N 3.14Å; V99-M102 VanDerWaalsContact O-N 3.11Å; M102-S104 VanDerWaalsContact C-N 3.34Å; M102-S104 PolarHBondContact O-N 2.97Å; M102-L110 HydrophobicContact CB-CD1 4.39Å; M102-L110 HydrophobicContact CB-CD2 3.54Å; M102-E114 WeakPolarHBondContact O-CG 3.35Å; M102-Y117 HydrophobicContact CE-CE1 4.45Å; M102-Y117 HydrophobicContact SD-CD1 3.67Å; M102-Y117 HydrophobicContact SD-CE1 3.92Å; M102-L118 HydrophobicContact CG-CB 3.95Å; M102-L118 HydrophobicContact CG-CD1 3.95Å; M102-L118 HydrophobicContact CG-CD2 4.12Å; M102-L118 HydrophobicContact CG-CG 4.2Å; M102-L118 HydrophobicContact SD-CB 4.19Å; M102-L118 HydrophobicContact SD-CD1 4.3Å; M102-I189 HydrophobicContact CE-CG1 4.31Å
103	D	88.4	Confident	89.6	Confident	21 Å²	21	54.4 Å²	54.4	11%	0.112	32%	0.321	C	S	.	.			trans	-69.5	84.7	175.6	176.6	19	0	0	0	110.9	V99 V101 D105 T106 T107 G108 L110	V99-D103 WeakPolarHBondContact O-CB 3.32Å; V99-D103 PolarHBondContact O-N 3.09Å; V101-D103 VanDerWaalsContact C-N 3.34Å; D103-D105 VanDerWaalsContact OD1-OD1 3.09Å; D103-T106 WeakPolarHBondContact OD1-CA 3.43Å; D103-T106 PolarHBondContact OD1-N 3.36Å; D103-T106 WeakPolarHBondContact OD2-CA 3.35Å; D103-T107 PolarHBondContact OD1-N 3.43Å; D103-T107 PolarHBondContact OD1-OG1 3.43Å; D103-T107 PolarHBondContact OD2-N 3.23Å; D103-G108 WeakPolarHBondContact OD2-CA 3.34Å; D103-G108 PolarHBondContact OD2-N 3.49Å; D103-L110 HydrophobicContact CB-CD2 4.23Å
104	S	84.2	Confident	89.6	Confident	99 Å²	99	50.2 Å²	50.2	69%	0.692	30%	0.298	S	S	*	.	S	Bend	trans	-81.9	-24.1	-176.3	67.6	0	0	0	0	112.7	M102 E114	M102-S104 VanDerWaalsContact C-N 3.34Å; M102-S104 PolarHBondContact O-N 2.97Å; S104-E114 WeakPolarHBondContact CB-OE1 3.41Å; S104-E114 PolarHBondContact N-OE1 3.42Å; S104-E114 PolarHBondContact OG-OE1 3Å
105	D	86.3	Confident	89.7	Confident	86 Å²	86	48.2 Å²	48.2	46%	0.46	29%	0.286	S	S	.	.	S	Bend	trans	-97.6	1.5	179.2	67.2	8.3	0	0	0	113.7	D103 T107 E114	D103-D105 VanDerWaalsContact OD1-OD1 3.09Å; D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact O-N 3.33Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.44Å; D105-T107 PolarHBondContact OD1-N 2.98Å; D105-T107 PolarHBondContact OD1-OG1 2.93Å; D105-T107 VanDerWaalsContact OD1-OG1 3.05Å; D105-E114 PolarHBondContact N-OE1 3.49Å
106	T	89.2	Confident	89.4	Confident	126 Å²	126	51.1 Å²	51.1	77%	0.773	30%	0.299	S	S	*	.			trans	62.8	32.7	174.1	63.2	0	0	0	0	113.8	D103 G108	D103-T106 WeakPolarHBondContact OD1-CA 3.43Å; D103-T106 PolarHBondContact OD1-N 3.36Å; D103-T106 WeakPolarHBondContact OD2-CA 3.35Å; T106-G108 VanDerWaalsContact C-N 3.26Å
107	T	90.2	Very high	89.2	Confident	61 Å²	61	48.8 Å²	48.8	37%	0.374	29%	0.29	S	S	.	.	S	Bend	trans	-73.6	-19.5	175.6	54.1	0	0	0	0	112.5	D103 D105 K109	D103-T107 PolarHBondContact OD1-N 3.43Å; D103-T107 PolarHBondContact OD1-OG1 3.43Å; D103-T107 PolarHBondContact OD2-N 3.23Å; D105-T107 VanDerWaalsContact C-N 3.31Å; D105-T107 PolarHBondContact O-N 3.33Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.44Å; D105-T107 PolarHBondContact OD1-N 2.98Å; D105-T107 PolarHBondContact OD1-OG1 2.93Å; D105-T107 VanDerWaalsContact OD1-OG1 3.05Å; T107-K109 VanDerWaalsContact C-N 3.28Å; T107-K109 PolarHBondContact OG1-N 3.02Å; T107-K109 PolarHBondContact OG1-O 3.37Å
108	G	90.8	Very high	89.3	Confident	50 Å²	50	46.2 Å²	46.2	52%	0.515	27%	0.272	S	S	.	.	S	Bend	trans	82.3	4.9	-171.1	0	0	0	0	0	113.4	D103 T106	D103-G108 WeakPolarHBondContact OD2-CA 3.34Å; D103-G108 PolarHBondContact OD2-N 3.49Å; T106-G108 VanDerWaalsContact C-N 3.26Å
109	K	94.9	Very high	89.2	Confident	58 Å²	58	46.3 Å²	46.3	25%	0.252	27%	0.272	S	S	.	.	S	Bend	trans	-143.5	-179.5	-179.8	-62.3	-173.6	-174.2	165.8	0	109.2	D63 E65 T107	D63-K109 IonicContact OD2-NZ 2.98Å; D63-K109 PolarHBondContact OD2-NZ 3.1Å; E65-K109 HydrophobicContact CB-CB 3.66Å; E65-K109 HydrophobicContact CB-CD 3.78Å; E65-K109 HydrophobicContact CB-CG 4.4Å; E65-K109 HydrophobicContact CG-CB 4.48Å; T107-K109 VanDerWaalsContact C-N 3.28Å; T107-K109 PolarHBondContact OG1-N 3.02Å; T107-K109 PolarHBondContact OG1-O 3.37Å
110	L	93.3	Very high	89	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-110.1	118.1	-179.1	-55.4	-179.6	0	0	0	111.1	E65 V66 V99 M102 D103 E114 F115 L118	E65-L110 CarbonylContact C-O 3.59Å; E65-L110 WeakPolarHBondContact CA-O 3.31Å; V66-L110 HydrophobicContact CB-CB 4.27Å; V66-L110 PolarHBondContact N-O 2.97Å; V66-L110 PolarHBondContact O-N 2.82Å; V99-L110 HydrophobicContact CB-CD2 4.45Å; V99-L110 HydrophobicContact CB-CG 4.44Å; V99-L110 HydrophobicContact CG1-CD2 4.1Å; V99-L110 HydrophobicContact CG1-CG 4.19Å; V99-L110 HydrophobicContact CG2-CD1 4Å; V99-L110 HydrophobicContact CG2-CG 4.04Å; M102-L110 HydrophobicContact CB-CD1 4.39Å; M102-L110 HydrophobicContact CB-CD2 3.54Å; D103-L110 HydrophobicContact CB-CD2 4.23Å; L110-E114 WeakPolarHBondContact CA-OE2 3.28Å; L110-E114 HydrophobicContact CB-CB 4.24Å; L110-E114 HydrophobicContact CD2-CB 4.14Å; L110-F115 HydrophobicContact CB-CB 4.13Å; L110-F115 HydrophobicContact CD1-CD2 4.48Å; L110-L118 HydrophobicContact CD1-CD2 3.64Å
111	G	93.1	Very high	89	Confident	16 Å²	16	44.3 Å²	44.3	17%	0.165	25%	0.252	C	S	.	.			trans	-66.6	176	166.5	0	0	0	0	0	112.1	E113 E114 F115	G111-E113 PolarHBondContact O-N 3.01Å; G111-E114 PolarHBondContact N-OE2 3.32Å; G111-E114 PolarHBondContact O-N 3Å; G111-F115 WeakPolarHBondContact O-CB 3.47Å; G111-F115 PolarHBondContact O-N 3.12Å
112	F	89.5	Confident	89.4	Confident	30 Å²	30	41.8 Å²	41.8	13%	0.132	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-47.2	-175.7	176.3	-105.3	0	0	0	113.5	F52 R53 F56 K116	F52-F112 AromaticContact CD1-CE2 3.56Å; F52-F112 HydrophobicContact CD1-CE2 3.56Å; F52-F112 AromaticContact CD1-CZ 3.81Å; F52-F112 HydrophobicContact CD1-CZ 3.81Å; F52-F112 HydrophobicContact CE1-CD2 4.37Å; F52-F112 AromaticContact CE1-CE2 3.75Å; F52-F112 HydrophobicContact CE1-CE2 3.75Å; F52-F112 HydrophobicContact CE1-CZ 4.21Å; R53-F112 HydrophobicContact CB-CE2 4.29Å; R53-F112 HydrophobicContact CG-CE1 4.36Å; R53-F112 HydrophobicContact CG-CE2 3.6Å; R53-F112 HydrophobicContact CG-CZ 3.46Å; R53-F112 VanDerWaalsContact CG-CZ 3.46Å; F56-F112 HydrophobicContact CB-CD2 3.85Å; F56-F112 HydrophobicContact CB-CE2 4.13Å; F56-F112 HydrophobicContact CD1-CB 4.23Å; F56-F112 AromaticContact CD1-CD2 3.7Å; F56-F112 HydrophobicContact CD1-CD2 3.7Å; F56-F112 HydrophobicContact CD1-CG 4.44Å; F56-F112 HydrophobicContact CD2-CD2 4.12Å; F56-F112 HydrophobicContact CE1-CB 3.9Å; F56-F112 HydrophobicContact CE1-CD2 4.25Å; F56-F112 HydrophobicContact CE2-CB 4.26Å; F56-F112 AromaticContact CG-CD2 3.61Å; F56-F112 HydrophobicContact CG-CD2 3.61Å; F56-F112 HydrophobicContact CG-CE2 4.38Å; F56-F112 HydrophobicContact CZ-CB 3.9Å; F112-K116 HydrophobicContact CE1-CD 4.16Å; F112-K116 HydrophobicContact CZ-CD 4.31Å; F112-K116 WeakPolarHBondContact O-CB 3.48Å; F112-K116 PolarHBondContact O-N 3.19Å
113	E	87.8	Confident	89.5	Confident	79 Å²	79	43 Å²	43	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-71	-36.8	-177.3	-65.9	-59	150	0	0	112.1	G111 K116 Y117	G111-E113 PolarHBondContact O-N 3.01Å; E113-K116 WeakPolarHBondContact O-CB 3.29Å; E113-K116 PolarHBondContact O-N 2.89Å; E113-K116 IonicContact OE2-NZ 2.7Å; E113-Y117 WeakPolarHBondContact O-CB 3.44Å; E113-Y117 PolarHBondContact O-N 3.48Å
114	E	90.6	Very high	89.6	Confident	21 Å²	21	44.9 Å²	44.9	10%	0.098	25%	0.247	C	C	.	.	H	α-helix	trans	-67.3	-46.2	177.3	-61.8	171.7	148	0	0	110.8	M102 S104 D105 L110 G111 K116 Y117 L118	M102-E114 WeakPolarHBondContact O-CG 3.35Å; S104-E114 WeakPolarHBondContact CB-OE1 3.41Å; S104-E114 PolarHBondContact N-OE1 3.42Å; S104-E114 PolarHBondContact OG-OE1 3Å; D105-E114 PolarHBondContact N-OE1 3.49Å; L110-E114 WeakPolarHBondContact CA-OE2 3.28Å; L110-E114 HydrophobicContact CB-CB 4.24Å; L110-E114 HydrophobicContact CD2-CB 4.14Å; G111-E114 PolarHBondContact N-OE2 3.32Å; G111-E114 PolarHBondContact O-N 3Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.99Å; E114-Y117 PolarHBondContact O-N 2.86Å; E114-L118 WeakPolarHBondContact O-CB 3.38Å; E114-L118 PolarHBondContact O-N 3.09Å
115	F	92.1	Very high	90	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-40.4	174	-179.1	-106.5	0	0	0	111.6	F52 F56 L59 V66 L71 L110 G111 Y117 L118 W119	F52-F115 HydrophobicContact CE1-CD1 4.08Å; F52-F115 HydrophobicContact CE1-CE1 4.47Å; F52-F115 HydrophobicContact CE2-CD1 4.21Å; F52-F115 AromaticContact CE2-CE1 3.84Å; F52-F115 HydrophobicContact CE2-CE1 3.84Å; F52-F115 AromaticContact CZ-CD1 3.4Å; F52-F115 HydrophobicContact CZ-CD1 3.4Å; F52-F115 VanDerWaalsContact CZ-CD1 3.4Å; F52-F115 AromaticContact CZ-CE1 3.51Å; F52-F115 HydrophobicContact CZ-CE1 3.51Å; F52-F115 HydrophobicContact CZ-CG 4.49Å; F56-F115 HydrophobicContact CB-CD1 4.4Å; F56-F115 HydrophobicContact CD2-CB 4Å; F56-F115 AromaticContact CD2-CD1 3.62Å; F56-F115 HydrophobicContact CD2-CD1 3.62Å; F56-F115 HydrophobicContact CD2-CE1 4.44Å; F56-F115 HydrophobicContact CD2-CG 4.02Å; F56-F115 HydrophobicContact CE2-CB 4.01Å; F56-F115 HydrophobicContact CE2-CD1 4.45Å; F56-F115 HydrophobicContact CE2-CG 4.44Å; L59-F115 HydrophobicContact CD1-CE1 4.05Å; L59-F115 HydrophobicContact CD1-CE2 4.37Å; L59-F115 HydrophobicContact CD1-CZ 3.57Å; V66-F115 HydrophobicContact CB-CD2 4.14Å; V66-F115 HydrophobicContact CG1-CD2 4.03Å; V66-F115 HydrophobicContact CG1-CE2 4.16Å; V66-F115 HydrophobicContact CG2-CB 4.49Å; V66-F115 HydrophobicContact CG2-CD2 4.04Å; V66-F115 HydrophobicContact CG2-CE2 4.44Å; V66-F115 HydrophobicContact CG2-CG 4.08Å; L71-F115 HydrophobicContact CD1-CE2 4.13Å; L110-F115 HydrophobicContact CB-CB 4.13Å; L110-F115 HydrophobicContact CD1-CD2 4.48Å; G111-F115 WeakPolarHBondContact O-CB 3.47Å; G111-F115 PolarHBondContact O-N 3.12Å; F115-Y117 PolarHBondContact O-N 3.01Å; F115-L118 PolarHBondContact O-N 3.46Å; F115-W119 HydrophobicContact CE2-CE3 4.13Å; F115-W119 HydrophobicContact CZ-CD2 4.17Å; F115-W119 AromaticContact CZ-CE3 3.75Å; F115-W119 HydrophobicContact CZ-CE3 3.75Å; F115-W119 HydrophobicContact CZ-CZ3 4.29Å; F115-W119 WeakPolarHBondContact O-CB 3.41Å; F115-W119 PolarHBondContact O-N 3.34Å
116	K	87.8	Confident	90.3	Very high	61 Å²	61	36.6 Å²	36.6	27%	0.265	19%	0.194	S	C	.	.	H	α-helix	trans	-59.1	-46.5	175.8	-174.1	179.8	167.8	-163.3	0	112.1	F52 F112 E113 E114 N120	F52-K116 HydrophobicContact CD1-CB 4.27Å; F52-K116 HydrophobicContact CD1-CD 4.5Å; F52-K116 HydrophobicContact CD1-CG 4.06Å; F52-K116 VanDerWaalsContact CE1-CA 3.46Å; F52-K116 HydrophobicContact CE1-CB 3.45Å; F52-K116 VanDerWaalsContact CE1-CB 3.45Å; F52-K116 HydrophobicContact CE1-CD 4.44Å; F52-K116 HydrophobicContact CE1-CG 3.69Å; F52-K116 VanDerWaalsContact CZ-CA 3.45Å; F52-K116 HydrophobicContact CZ-CB 4Å; F52-K116 HydrophobicContact CZ-CG 4.32Å; F112-K116 HydrophobicContact CE1-CD 4.16Å; F112-K116 HydrophobicContact CZ-CD 4.31Å; F112-K116 WeakPolarHBondContact O-CB 3.48Å; F112-K116 PolarHBondContact O-N 3.19Å; E113-K116 WeakPolarHBondContact O-CB 3.29Å; E113-K116 PolarHBondContact O-N 2.89Å; E113-K116 IonicContact OE2-NZ 2.7Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.99Å; K116-N120 WeakPolarHBondContact O-CB 3.48Å; K116-N120 VanDerWaalsContact O-CG 3.3Å; K116-N120 PolarHBondContact O-N 3.15Å; K116-N120 PolarHBondContact O-ND2 3.43Å
117	Y	88.1	Confident	90.4	Very high	89 Å²	89	32.2 Å²	32.2	35%	0.349	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-53.3	178.7	-179.9	-95.1	0	0	0	111	M102 E113 E114 F115 W119 N120 N121 E188	M102-Y117 HydrophobicContact CE-CE1 4.45Å; M102-Y117 HydrophobicContact SD-CD1 3.67Å; M102-Y117 HydrophobicContact SD-CE1 3.92Å; E113-Y117 WeakPolarHBondContact O-CB 3.44Å; E113-Y117 PolarHBondContact O-N 3.48Å; E114-Y117 PolarHBondContact O-N 2.86Å; F115-Y117 PolarHBondContact O-N 3.01Å; Y117-W119 VanDerWaalsContact C-N 3.32Å; Y117-W119 PolarHBondContact O-N 3.24Å; Y117-N120 PolarHBondContact O-N 2.92Å; Y117-N121 WeakPolarHBondContact CE1-ND2 3.34Å; Y117-N121 PolarHBondContact O-N 3.39Å; Y117-N121 VanDerWaalsContact O-N 3.1Å; Y117-E188 PolarHBondContact OH-OE1 2.93Å
118	L	90.4	Very high	90.6	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-55.9	-47.2	177.1	177.7	58.7	0	0	0	111.7	L71 M98 M102 L110 E114 F115 N120 N121 I122	L71-L118 HydrophobicContact CD1-CD2 4.12Å; L71-L118 HydrophobicContact CD2-CD2 3.84Å; M98-L118 HydrophobicContact CB-CD2 4.4Å; M102-L118 HydrophobicContact CG-CB 3.95Å; M102-L118 HydrophobicContact CG-CD1 3.95Å; M102-L118 HydrophobicContact CG-CD2 4.12Å; M102-L118 HydrophobicContact CG-CG 4.2Å; M102-L118 HydrophobicContact SD-CB 4.19Å; M102-L118 HydrophobicContact SD-CD1 4.3Å; L110-L118 HydrophobicContact CD1-CD2 3.64Å; E114-L118 WeakPolarHBondContact O-CB 3.38Å; E114-L118 PolarHBondContact O-N 3.09Å; F115-L118 PolarHBondContact O-N 3.46Å; L118-N120 PolarHBondContact O-N 3Å; L118-N121 PolarHBondContact O-N 3.35Å; L118-I122 HydrophobicContact CD1-CD1 3.89Å; L118-I122 HydrophobicContact CD1-CG1 4.22Å; L118-I122 HydrophobicContact CD2-CD1 4.49Å; L118-I122 HydrophobicContact CG-CD1 3.83Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 3.13Å
119	W	89.7	Confident	90.8	Very high	6 Å²	6	27.3 Å²	27.3	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-41.8	-178.5	-170.9	-101.4	0	0	0	112.5	I20 F52 L55 I74 L75 V78 F115 Y117 N121 I122 K123	I20-W119 HydrophobicContact CD1-CH2 4.42Å; I20-W119 HydrophobicContact CD1-CZ2 3.5Å; F52-W119 AromaticContact CD2-CD1 3.95Å; F52-W119 HydrophobicContact CE2-CB 3.86Å; F52-W119 AromaticContact CE2-CD1 3.3Å; F52-W119 HydrophobicContact CE2-CD2 4.39Å; F52-W119 AromaticContact CE2-CG 3.58Å; F52-W119 HydrophobicContact CE2-CG 3.58Å; F52-W119 AromaticContact CE2-NE1 3.9Å; F52-W119 HydrophobicContact CZ-CB 3.96Å; F52-W119 HydrophobicContact CZ-CG 4.18Å; L55-W119 HydrophobicContact CD2-CZ2 3.91Å; I74-W119 HydrophobicContact CD1-CH2 4.47Å; I74-W119 HydrophobicContact CG1-CH2 3.62Å; I74-W119 HydrophobicContact CG1-CZ3 3.88Å; I74-W119 HydrophobicContact CG2-CZ3 4.01Å; L75-W119 HydrophobicContact CD2-CZ3 4Å; V78-W119 HydrophobicContact CG2-CH2 3.78Å; V78-W119 HydrophobicContact CG2-CZ2 4.45Å; F115-W119 HydrophobicContact CE2-CE3 4.13Å; F115-W119 HydrophobicContact CZ-CD2 4.17Å; F115-W119 AromaticContact CZ-CE3 3.75Å; F115-W119 HydrophobicContact CZ-CE3 3.75Å; F115-W119 HydrophobicContact CZ-CZ3 4.29Å; F115-W119 WeakPolarHBondContact O-CB 3.41Å; F115-W119 PolarHBondContact O-N 3.34Å; Y117-W119 VanDerWaalsContact C-N 3.32Å; Y117-W119 PolarHBondContact O-N 3.24Å; W119-N121 VanDerWaalsContact C-N 3.33Å; W119-N121 PolarHBondContact O-N 2.63Å; W119-I122 PolarHBondContact O-N 3.34Å; W119-K123 WeakPolarHBondContact O-CG 3.32Å; W119-K123 PolarHBondContact O-N 3.22Å
120	N	87.1	Confident	90.7	Very high	27 Å²	27	27.4 Å²	27.4	14%	0.144	13%	0.13	C	C	.	.	H	α-helix	trans	-64.1	-39.6	177	-76	-24.2	0	0	0	112.2	Y27 K116 Y117 L118 K123 R124	Y27-N120 HydrophobicContact CE2-CB 3.94Å; K116-N120 WeakPolarHBondContact O-CB 3.48Å; K116-N120 VanDerWaalsContact O-CG 3.3Å; K116-N120 PolarHBondContact O-N 3.15Å; K116-N120 PolarHBondContact O-ND2 3.43Å; Y117-N120 PolarHBondContact O-N 2.92Å; L118-N120 PolarHBondContact O-N 3Å; N120-K123 PolarHBondContact O-N 3.48Å; N120-K123 WeakPolarHBondContact OD1-CE 3.41Å; N120-K123 PolarHBondContact OD1-NZ 3.28Å; N120-R124 PolarHBondContact O-N 3.2Å
121	N	88.5	Confident	90.8	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-45.5	174	-78.5	-14.9	0	0	0	111.8	Y117 L118 W119 K123 R124 W125	Y117-N121 WeakPolarHBondContact CE1-ND2 3.34Å; Y117-N121 PolarHBondContact O-N 3.39Å; Y117-N121 VanDerWaalsContact O-N 3.1Å; L118-N121 PolarHBondContact O-N 3.35Å; W119-N121 VanDerWaalsContact C-N 3.33Å; W119-N121 PolarHBondContact O-N 2.63Å; N121-K123 VanDerWaalsContact C-N 3.33Å; N121-K123 PolarHBondContact O-N 3.47Å; N121-R124 WeakPolarHBondContact O-CB 3.41Å; N121-R124 PolarHBondContact O-N 2.93Å; N121-R124 VanDerWaalsContact O-N 3.12Å; N121-W125 HydrophobicContact CB-CD2 4.34Å; N121-W125 HydrophobicContact CB-CE3 4.42Å; N121-W125 HydrophobicContact CB-CH2 3.88Å; N121-W125 HydrophobicContact CB-CZ2 3.78Å; N121-W125 HydrophobicContact CB-CZ3 4.2Å; N121-W125 WeakPolarHBondContact O-CB 3.47Å; N121-W125 VanDerWaalsContact O-CD2 3.26Å; N121-W125 PolarHBondContact O-N 3.42Å
122	I	90.4	Very high	90.9	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.051	16%	0.162	C	C	.	.	H	α-helix	trans	-58.9	-43.4	176.6	-68.6	168.8	0	0	0	111.5	L75 L118 W119 R124 W125 Q126 I181	L75-I122 HydrophobicContact CD1-CD1 4.44Å; L75-I122 HydrophobicContact CD2-CD1 3.88Å; L75-I122 HydrophobicContact CD2-CG2 4.16Å; L118-I122 HydrophobicContact CD1-CD1 3.89Å; L118-I122 HydrophobicContact CD1-CG1 4.22Å; L118-I122 HydrophobicContact CD2-CD1 4.49Å; L118-I122 HydrophobicContact CG-CD1 3.83Å; L118-I122 WeakPolarHBondContact O-CG1 3.47Å; L118-I122 PolarHBondContact O-N 3.13Å; W119-I122 PolarHBondContact O-N 3.34Å; I122-R124 PolarHBondContact O-N 3.45Å; I122-W125 HydrophobicContact CG1-CE3 4.24Å; I122-W125 HydrophobicContact CG1-CZ3 4.26Å; I122-W125 PolarHBondContact O-N 2.97Å; I122-Q126 WeakPolarHBondContact O-CB 3.47Å; I122-Q126 PolarHBondContact O-N 3.39Å; I122-I181 HydrophobicContact CG1-CG2 4.12Å
123	K	88.3	Confident	91.1	Very high	55 Å²	55	34.8 Å²	34.8	24%	0.239	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-43.8	175.3	-69	-172.8	-63.5	176.9	0	112.1	I20 W119 N120 N121 Q126 A127	I20-K123 HydrophobicContact CB-CD 4.49Å; I20-K123 HydrophobicContact CG1-CD 4.01Å; I20-K123 HydrophobicContact CG1-CG 4.38Å; I20-K123 HydrophobicContact CG2-CD 4.19Å; I20-K123 HydrophobicContact CG2-CG 3.84Å; W119-K123 WeakPolarHBondContact O-CG 3.32Å; W119-K123 PolarHBondContact O-N 3.22Å; N120-K123 PolarHBondContact O-N 3.48Å; N120-K123 WeakPolarHBondContact OD1-CE 3.41Å; N120-K123 PolarHBondContact OD1-NZ 3.28Å; N121-K123 VanDerWaalsContact C-N 3.33Å; N121-K123 PolarHBondContact O-N 3.47Å; K123-Q126 PolarHBondContact O-N 3.49Å; K123-A127 PolarHBondContact O-N 3.48Å; K123-A127 VanDerWaalsContact O-N 3.09Å
124	R	90	Very high	91.3	Very high	60 Å²	60	36.1 Å²	36.1	23%	0.226	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-49.6	177.1	177	-176.2	173.4	-179.9	-4.5	110.6	N120 N121 I122 Q126 A127 I128 A151 A152	N120-R124 PolarHBondContact O-N 3.2Å; N121-R124 WeakPolarHBondContact O-CB 3.41Å; N121-R124 PolarHBondContact O-N 2.93Å; N121-R124 VanDerWaalsContact O-N 3.12Å; I122-R124 PolarHBondContact O-N 3.45Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 2.86Å; R124-A127 WeakPolarHBondContact O-CB 3.25Å; R124-A127 PolarHBondContact O-N 3.41Å; R124-A127 VanDerWaalsContact O-N 3.14Å; R124-I128 HydrophobicContact CG-CD1 3.96Å; R124-I128 WeakPolarHBondContact O-CG1 3.16Å; R124-I128 PolarHBondContact O-N 2.85Å; R124-A151 PolarHBondContact NH2-O 2.84Å; R124-A152 PolarHBondContact NH2-O 3.25Å
125	W	92.9	Very high	91.4	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-36.3	179.5	-59.6	-28.6	0	0	0	112.1	N121 I122 A127 I128 Y129 F180 I181 L184 A185 E188	N121-W125 HydrophobicContact CB-CD2 4.34Å; N121-W125 HydrophobicContact CB-CE3 4.42Å; N121-W125 HydrophobicContact CB-CH2 3.88Å; N121-W125 HydrophobicContact CB-CZ2 3.78Å; N121-W125 HydrophobicContact CB-CZ3 4.2Å; N121-W125 WeakPolarHBondContact O-CB 3.47Å; N121-W125 VanDerWaalsContact O-CD2 3.26Å; N121-W125 PolarHBondContact O-N 3.42Å; I122-W125 HydrophobicContact CG1-CE3 4.24Å; I122-W125 HydrophobicContact CG1-CZ3 4.26Å; I122-W125 PolarHBondContact O-N 2.97Å; W125-A127 VanDerWaalsContact C-N 3.34Å; W125-A127 PolarHBondContact O-N 3.2Å; W125-I128 PolarHBondContact O-N 3.36Å; W125-Y129 WeakPolarHBondContact O-CB 3.41Å; W125-Y129 PolarHBondContact O-N 3Å; W125-F180 HydrophobicContact CB-CE1 4.19Å; W125-I181 HydrophobicContact CB-CD1 3.51Å; W125-I181 HydrophobicContact CE3-CD1 4.07Å; W125-I181 HydrophobicContact CE3-CG2 4.28Å; W125-I181 HydrophobicContact CG-CD1 4.46Å; W125-L184 HydrophobicContact CB-CD1 3.81Å; W125-L184 HydrophobicContact CD2-CB 3.86Å; W125-L184 HydrophobicContact CD2-CD1 3.89Å; W125-L184 HydrophobicContact CE3-CB 4.06Å; W125-L184 HydrophobicContact CG-CB 4.37Å; W125-L184 HydrophobicContact CG-CD1 3.49Å; W125-L184 VanDerWaalsContact CG-CD1 3.49Å; W125-L184 HydrophobicContact CH2-CB 4.25Å; W125-L184 HydrophobicContact CZ2-CB 4.04Å; W125-L184 HydrophobicContact CZ3-CB 4.25Å; W125-A185 HydrophobicContact CH2-CB 4.35Å; W125-A185 HydrophobicContact CZ3-CB 4.21Å; W125-E188 HydrophobicContact CZ2-CB 4.46Å
126	Q	91.9	Very high	91.5	Very high	5 Å²	5	50.3 Å²	50.3	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-42.5	171.8	-174.5	-172	3.6	0	0	112.3	I20 H82 L85 I122 K123 R124 Y129 K130 F177	I20-Q126 VanDerWaalsContact CG2-OE1 3.28Å; H82-Q126 PolarHBondContact CD2-NE2 3.32Å; H82-Q126 PolarHBondContact NE2-NE2 2.95Å; L85-Q126 HydrophobicContact CD1-CG 4.27Å; I122-Q126 WeakPolarHBondContact O-CB 3.47Å; I122-Q126 PolarHBondContact O-N 3.39Å; K123-Q126 PolarHBondContact O-N 3.49Å; R124-Q126 VanDerWaalsContact C-N 3.31Å; R124-Q126 PolarHBondContact O-N 2.86Å; Q126-Y129 WeakPolarHBondContact O-CB 3.43Å; Q126-Y129 PolarHBondContact O-N 3.49Å; Q126-K130 WeakPolarHBondContact O-CG 3.47Å; Q126-K130 PolarHBondContact O-N 3.49Å; Q126-F177 HydrophobicContact CB-CE2 3.96Å; Q126-F177 HydrophobicContact CB-CZ 4.01Å; Q126-F177 HydrophobicContact CG-CE2 3.91Å; Q126-F177 HydrophobicContact CG-CZ 3.94Å
127	A	92.1	Very high	91.7	Very high	33 Å²	33	48.9 Å²	48.9	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-40.5	177.3	0	0	0	0	0	112.2	A24 K123 R124 W125 K130 Q131	A24-A127 HydrophobicContact CB-CB 3.29Å; K123-A127 PolarHBondContact O-N 3.48Å; K123-A127 VanDerWaalsContact O-N 3.09Å; R124-A127 WeakPolarHBondContact O-CB 3.25Å; R124-A127 PolarHBondContact O-N 3.41Å; R124-A127 VanDerWaalsContact O-N 3.14Å; W125-A127 VanDerWaalsContact C-N 3.34Å; W125-A127 PolarHBondContact O-N 3.2Å; A127-K130 PolarHBondContact O-N 3.23Å; A127-Q131 VanDerWaalsContact O-CB 3.28Å; A127-Q131 WeakPolarHBondContact O-CB 3.42Å; A127-Q131 PolarHBondContact O-N 2.95Å
128	I	94.1	Very high	92	Very high	9 Å²	9	44.9 Å²	44.9	5%	0.046	22%	0.218	C	C	.	.	H	α-helix	trans	-60.6	-47.9	173.5	-68.6	165.1	0	0	0	110.1	R124 W125 K130 Q131 F132 A148 A151 A152 F180	R124-I128 HydrophobicContact CG-CD1 3.96Å; R124-I128 WeakPolarHBondContact O-CG1 3.16Å; R124-I128 PolarHBondContact O-N 2.85Å; W125-I128 PolarHBondContact O-N 3.36Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 3.39Å; I128-Q131 WeakPolarHBondContact O-CB 3.33Å; I128-Q131 PolarHBondContact O-N 3.26Å; I128-F132 HydrophobicContact CG2-CD2 3.8Å; I128-F132 HydrophobicContact CG2-CE2 4.19Å; I128-F132 WeakPolarHBondContact O-CD2 3.43Å; I128-F132 PolarHBondContact O-N 3.36Å; I128-A148 HydrophobicContact CG2-CB 4Å; I128-A148 VanDerWaalsContact CG2-O 3.32Å; I128-A148 WeakPolarHBondContact CG2-O 3.38Å; I128-A151 HydrophobicContact CD1-CB 4.33Å; I128-A151 HydrophobicContact CG1-CB 4.27Å; I128-A151 HydrophobicContact CG2-CB 4.16Å; I128-A152 HydrophobicContact CD1-CB 3.9Å; I128-F180 HydrophobicContact CG2-CZ 4.23Å
129	Y	94.3	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-53.4	-50.9	177.9	-169.2	-90.3	0	0	0	111.5	L85 W125 Q126 Q131 F132 D133 G138 T139 I140 M175 D176 F177 F180	L85-Y129 HydrophobicContact CD2-CD1 3.66Å; L85-Y129 HydrophobicContact CD2-CE1 3.9Å; W125-Y129 WeakPolarHBondContact O-CB 3.41Å; W125-Y129 PolarHBondContact O-N 3Å; Q126-Y129 WeakPolarHBondContact O-CB 3.43Å; Q126-Y129 PolarHBondContact O-N 3.49Å; Y129-Q131 VanDerWaalsContact C-N 3.29Å; Y129-Q131 PolarHBondContact O-N 2.96Å; Y129-F132 PolarHBondContact O-N 3.12Å; Y129-D133 WeakPolarHBondContact O-CB 3.16Å; Y129-D133 PolarHBondContact O-N 3.49Å; Y129-G138 PolarHBondContact OH-O 3.41Å; Y129-T139 VanDerWaalsContact OH-CA 3.25Å; Y129-T139 WeakPolarHBondContact OH-CA 3.31Å; Y129-I140 HydrophobicContact CD2-CD1 4.36Å; Y129-I140 HydrophobicContact CD2-CG1 3.48Å; Y129-I140 VanDerWaalsContact CD2-CG1 3.48Å; Y129-I140 HydrophobicContact CE2-CB 4.23Å; Y129-I140 HydrophobicContact CE2-CG1 3.46Å; Y129-I140 VanDerWaalsContact CE2-CG1 3.46Å; Y129-I140 HydrophobicContact CG-CG1 4.2Å; Y129-M175 PolarHBondContact OH-O 3.02Å; Y129-D176 WeakPolarHBondContact OH-CA 3.44Å; Y129-F177 AromaticContact CD1-CD2 3.97Å; Y129-F177 HydrophobicContact CD1-CD2 3.97Å; Y129-F177 HydrophobicContact CD2-CD2 4.16Å; Y129-F177 HydrophobicContact CE1-CB 4.23Å; Y129-F177 HydrophobicContact CE1-CD2 4.23Å; Y129-F177 HydrophobicContact CE2-CB 4.43Å; Y129-F177 HydrophobicContact CE2-CD2 4.39Å; Y129-F177 AromaticContact CG-CD2 3.91Å; Y129-F177 HydrophobicContact CG-CD2 3.91Å; Y129-F177 HydrophobicContact CG-CE2 4.49Å; Y129-F177 PolarHBondContact OH-N 3.36Å; Y129-F177 VanDerWaalsContact OH-N 3.13Å; Y129-F180 HydrophobicContact CD2-CB 3.81Å; Y129-F180 AromaticContact CD2-CD1 3.49Å; Y129-F180 HydrophobicContact CD2-CD1 3.49Å; Y129-F180 VanDerWaalsContact CD2-CD1 3.49Å; Y129-F180 HydrophobicContact CD2-CD2 4.05Å; Y129-F180 AromaticContact CD2-CE1 3.96Å; Y129-F180 HydrophobicContact CD2-CE1 3.96Å; Y129-F180 HydrophobicContact CD2-CE2 4.48Å; Y129-F180 AromaticContact CD2-CG 3.52Å; Y129-F180 HydrophobicContact CD2-CG 3.52Å; Y129-F180 HydrophobicContact CD2-CZ 4.43Å; Y129-F180 HydrophobicContact CE2-CB 3.72Å; Y129-F180 HydrophobicContact CE2-CD1 4.3Å; Y129-F180 HydrophobicContact CE2-CD2 4.42Å; Y129-F180 AromaticContact CE2-CG 3.92Å; Y129-F180 HydrophobicContact CE2-CG 3.92Å; Y129-F180 HydrophobicContact CG-CD1 4.31Å
130	K	93	Very high	92.6	Very high	60 Å²	60	45.1 Å²	45.1	26%	0.261	22%	0.22	S	C	.	.	H	α-helix	trans	-65.6	-30.6	177.8	-67.5	-173.6	-175.6	-148.2	0	113.8	H82 D84 L85 Q126 A127 I128	H82-K130 PolarHBondContact ND1-NZ 3.28Å; D84-K130 IonicContact OD1-NZ 3.74Å; D84-K130 WeakPolarHBondContact OD2-CE 3.31Å; D84-K130 IonicContact OD2-NZ 2.58Å; D84-K130 PolarHBondContact OD2-NZ 3.33Å; L85-K130 HydrophobicContact CD2-CG 4.12Å; Q126-K130 WeakPolarHBondContact O-CG 3.47Å; Q126-K130 PolarHBondContact O-N 3.49Å; A127-K130 PolarHBondContact O-N 3.23Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 3.39Å
131	Q	94.3	Very high	92.8	Very high	135 Å²	135	44.7 Å²	44.7	63%	0.631	22%	0.219	S	C	*	.	H	α-helix	trans	-73.6	-36.8	179	179.2	179.8	2.9	0	0	111.8	A127 I128 Y129	A127-Q131 VanDerWaalsContact O-CB 3.28Å; A127-Q131 WeakPolarHBondContact O-CB 3.42Å; A127-Q131 PolarHBondContact O-N 2.95Å; I128-Q131 WeakPolarHBondContact O-CB 3.33Å; I128-Q131 PolarHBondContact O-N 3.26Å; Y129-Q131 VanDerWaalsContact C-N 3.29Å; Y129-Q131 PolarHBondContact O-N 2.96Å
132	F	95.4	Very high	92.8	Very high	46 Å²	46	47.5 Å²	47.5	20%	0.202	24%	0.239	C	C	.	.	H	α-helix	trans	-97.2	-12.1	-174.1	-77.7	-91.9	0	0	0	114.1	I128 Y129 T134 I140 E144 G147 A148 A151	I128-F132 HydrophobicContact CG2-CD2 3.8Å; I128-F132 HydrophobicContact CG2-CE2 4.19Å; I128-F132 WeakPolarHBondContact O-CD2 3.43Å; I128-F132 PolarHBondContact O-N 3.36Å; Y129-F132 PolarHBondContact O-N 3.12Å; F132-T134 PolarHBondContact O-N 2.95Å; F132-I140 HydrophobicContact CB-CD1 3.85Å; F132-E144 WeakPolarHBondContact O-CB 3.49Å; F132-E144 WeakPolarHBondContact O-CG 3.49Å; F132-E144 VanDerWaalsContact O-OE1 3.05Å; F132-G147 WeakPolarHBondContact CE1-O 2.99Å; F132-G147 VanDerWaalsContact CZ-O 3.25Å; F132-G147 WeakPolarHBondContact CZ-O 2.89Å; F132-A148 HydrophobicContact CB-CB 3.88Å; F132-A148 HydrophobicContact CD1-CB 4.41Å; F132-A148 HydrophobicContact CD2-CB 4.29Å; F132-A148 HydrophobicContact CG-CB 3.94Å; F132-A151 HydrophobicContact CD2-CB 4.5Å; F132-A151 HydrophobicContact CE2-CB 3.5Å; F132-A151 VanDerWaalsContact CE2-CB 3.5Å; F132-A151 HydrophobicContact CZ-CB 3.81Å
133	D	94.6	Very high	92.8	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.107	27%	0.27	C	S	.	.			trans	-71.7	72.7	162.4	177.2	20.3	0	0	0	109.6	Y129 R136 S137 G138 I140	Y129-D133 WeakPolarHBondContact O-CB 3.16Å; Y129-D133 PolarHBondContact O-N 3.49Å; D133-R136 PolarHBondContact O-N 3.35Å; D133-R136 WeakPolarHBondContact OD1-CA 3.42Å; D133-R136 PolarHBondContact OD1-N 3.47Å; D133-S137 PolarHBondContact OD1-N 2.93Å; D133-S137 PolarHBondContact OD1-OG 3.16Å; D133-G138 PolarHBondContact OD1-N 3.37Å; D133-G138 WeakPolarHBondContact OD2-CA 3.34Å; D133-G138 PolarHBondContact OD2-N 3.35Å; D133-I140 HydrophobicContact CB-CD1 4.25Å
134	T	92.8	Very high	93.1	Very high	106 Å²	106	49.8 Å²	49.8	65%	0.65	26%	0.261	S	S	*	.			trans	-75	-30.5	-171.4	58.2	0	0	0	0	112.4	F132 R136 E144	F132-T134 PolarHBondContact O-N 2.95Å; T134-R136 VanDerWaalsContact C-N 3.28Å; T134-E144 PolarHBondContact N-OE1 2.99Å; T134-E144 PolarHBondContact OG1-OE1 3.15Å
135	D	92.4	Very high	93.2	Very high	97 Å²	97	47 Å²	47	52%	0.519	25%	0.251	S	S	.	.	S	Bend	trans	-82.7	-7.2	175.6	75.7	-5.4	0	0	0	113	S137 E144	D135-S137 PolarHBondContact O-N 3.13Å; D135-S137 WeakPolarHBondContact OD1-CB 3.33Å; D135-S137 PolarHBondContact OD1-N 3.16Å; D135-S137 PolarHBondContact OD1-OG 3.23Å; D135-E144 PolarHBondContact N-OE1 3.12Å
136	R	92.6	Very high	93.1	Very high	223 Å²	223	49.2 Å²	49.2	84%	0.842	27%	0.266	S	S	*	.			trans	58	33.9	-178.6	-54	-179.5	-177.7	175.3	0	111.8	D133 T134 G138	D133-R136 PolarHBondContact O-N 3.35Å; D133-R136 WeakPolarHBondContact OD1-CA 3.42Å; D133-R136 PolarHBondContact OD1-N 3.47Å; T134-R136 VanDerWaalsContact C-N 3.28Å; R136-G138 PolarHBondContact O-N 3.16Å
137	S	93.6	Very high	93.1	Very high	30 Å²	30	50 Å²	50	21%	0.21	28%	0.276	C	S	.	.	S	Bend	trans	-68.4	-17	174.3	62.3	0	0	0	0	111.8	K86 D133 D135 T139	K86-S137 VanDerWaalsContact CD-O 3.31Å; K86-S137 WeakPolarHBondContact CD-O 3.39Å; K86-S137 WeakPolarHBondContact CE-O 3.44Å; K86-S137 PolarHBondContact NZ-O 3.46Å; D133-S137 PolarHBondContact OD1-N 2.93Å; D133-S137 PolarHBondContact OD1-OG 3.16Å; D135-S137 PolarHBondContact O-N 3.13Å; D135-S137 WeakPolarHBondContact OD1-CB 3.33Å; D135-S137 PolarHBondContact OD1-N 3.16Å; D135-S137 PolarHBondContact OD1-OG 3.23Å; S137-T139 WeakPolarHBondContact CB-OG1 3.49Å; S137-T139 PolarHBondContact OG-N 3.48Å; S137-T139 PolarHBondContact OG-O 3.43Å; S137-T139 VanDerWaalsContact OG-O 3.05Å; S137-T139 PolarHBondContact OG-OG1 3.37Å
138	G	93.3	Very high	93.2	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	26%	0.263	C	S	.	.	S	Bend	trans	78.3	10	-169.5	0	0	0	0	0	112.5	D84 K86 Y129 D133 R136	D84-G138 WeakPolarHBondContact O-CA 3.23Å; K86-G138 VanDerWaalsContact CB-O 3.26Å; K86-G138 WeakPolarHBondContact CB-O 3.27Å; K86-G138 PolarHBondContact N-O 2.96Å; K86-G138 VanDerWaalsContact N-O 3.1Å; Y129-G138 PolarHBondContact OH-O 3.41Å; D133-G138 PolarHBondContact OD1-N 3.37Å; D133-G138 WeakPolarHBondContact OD2-CA 3.34Å; D133-G138 PolarHBondContact OD2-N 3.35Å; R136-G138 PolarHBondContact O-N 3.16Å
139	T	96.1	Very high	93	Very high	14 Å²	14	48 Å²	48	9%	0.086	26%	0.26	C	S	.	.	S	Bend	trans	-133.6	159.3	-178.7	41.1	0	0	0	0	110.8	K86 Y129 S137 N174 M175 D176	K86-T139 HydrophobicContact CB-CG2 4.14Å; K86-T139 HydrophobicContact CD-CG2 3.88Å; Y129-T139 VanDerWaalsContact OH-CA 3.25Å; Y129-T139 WeakPolarHBondContact OH-CA 3.31Å; S137-T139 WeakPolarHBondContact CB-OG1 3.49Å; S137-T139 PolarHBondContact OG-N 3.48Å; S137-T139 PolarHBondContact OG-O 3.43Å; S137-T139 VanDerWaalsContact OG-O 3.05Å; S137-T139 PolarHBondContact OG-OG1 3.37Å; T139-N174 HydrophobicContact CG2-CB 4.29Å; T139-M175 WeakPolarHBondContact CA-O 3.36Å; T139-D176 HydrophobicContact CG2-CB 4.39Å
140	I	96.1	Very high	92.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-100.8	115.1	169	-67.9	-68.1	0	0	0	108.8	Y129 F132 D133 E144 L145 M175 F180	Y129-I140 HydrophobicContact CD2-CD1 4.36Å; Y129-I140 HydrophobicContact CD2-CG1 3.48Å; Y129-I140 VanDerWaalsContact CD2-CG1 3.48Å; Y129-I140 HydrophobicContact CE2-CB 4.23Å; Y129-I140 HydrophobicContact CE2-CG1 3.46Å; Y129-I140 VanDerWaalsContact CE2-CG1 3.46Å; Y129-I140 HydrophobicContact CG-CG1 4.2Å; F132-I140 HydrophobicContact CB-CD1 3.85Å; D133-I140 HydrophobicContact CB-CD1 4.25Å; I140-E144 HydrophobicContact CD1-CB 4.32Å; I140-E144 HydrophobicContact CG2-CB 4.01Å; I140-L145 HydrophobicContact CG2-CB 3.95Å; I140-L145 HydrophobicContact CG2-CD1 3.72Å; I140-L145 HydrophobicContact CG2-CG 4.48Å; I140-M175 PolarHBondContact N-O 2.89Å; I140-M175 PolarHBondContact O-N 2.88Å; I140-F180 HydrophobicContact CG1-CD2 4.49Å
141	C	93.1	Very high	92.6	Very high	18 Å²	18	52.5 Å²	52.5	12%	0.122	29%	0.289	C	S	.	.			trans	-83.5	169.8	176.9	70.9	0	0	0	0	112.3	S143 E144 L145 N174	C141-S143 PolarHBondContact O-N 3.49Å; C141-S143 VanDerWaalsContact O-N 3.09Å; C141-S143 PolarHBondContact SG-OG 3.09Å; C141-E144 PolarHBondContact N-OE2 3.28Å; C141-E144 PolarHBondContact O-N 3.13Å; C141-E144 VanDerWaalsContact SG-CD 3.51Å; C141-E144 VanDerWaalsContact SG-CG 3.58Å; C141-E144 PolarHBondContact SG-OE2 3.07Å; C141-L145 PolarHBondContact O-N 3.41Å; C141-N174 VanDerWaalsContact CB-OD1 3.26Å; C141-N174 WeakPolarHBondContact CB-OD1 3.27Å
142	S	88.4	Confident	92.2	Very high	65 Å²	65	46.3 Å²	46.3	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27	-178	60.4	0	0	0	0	114.8	P146 G173	S142-P146 WeakPolarHBondContact O-CD 3.41Å; S142-G173 PolarHBondContact N-O 2.86Å
143	S	90.1	Very high	91.8	Very high	100 Å²	100	46.4 Å²	46.4	70%	0.699	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-22.4	175.9	43.8	0	0	0	0	114	C141	C141-S143 PolarHBondContact O-N 3.49Å; C141-S143 VanDerWaalsContact O-N 3.09Å; C141-S143 PolarHBondContact SG-OG 3.09Å
144	E	94.6	Very high	91.2	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.065	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-30.5	178.8	-69.4	168.5	148.7	0	0	111.6	F132 T134 D135 I140 C141 G147 A148	F132-E144 WeakPolarHBondContact O-CB 3.49Å; F132-E144 WeakPolarHBondContact O-CG 3.49Å; F132-E144 VanDerWaalsContact O-OE1 3.05Å; T134-E144 PolarHBondContact N-OE1 2.99Å; T134-E144 PolarHBondContact OG1-OE1 3.15Å; D135-E144 PolarHBondContact N-OE1 3.12Å; I140-E144 HydrophobicContact CD1-CB 4.32Å; I140-E144 HydrophobicContact CG2-CB 4.01Å; C141-E144 PolarHBondContact N-OE2 3.28Å; C141-E144 PolarHBondContact O-N 3.13Å; C141-E144 VanDerWaalsContact SG-CD 3.51Å; C141-E144 VanDerWaalsContact SG-CG 3.58Å; C141-E144 PolarHBondContact SG-OE2 3.07Å; E144-G147 PolarHBondContact O-N 2.89Å; E144-A148 PolarHBondContact O-N 3.38Å; E144-A148 VanDerWaalsContact O-N 3.1Å
145	L	91.3	Very high	90.6	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-51.7	-46.2	-176.4	-165.9	76.3	0	0	0	114.1	I140 C141 G147 A148 F149 Y161 I164 I165 M175	I140-L145 HydrophobicContact CG2-CB 3.95Å; I140-L145 HydrophobicContact CG2-CD1 3.72Å; I140-L145 HydrophobicContact CG2-CG 4.48Å; C141-L145 PolarHBondContact O-N 3.41Å; L145-G147 PolarHBondContact O-N 3.44Å; L145-A148 PolarHBondContact O-N 3.01Å; L145-F149 HydrophobicContact CD1-CD2 3.78Å; L145-F149 HydrophobicContact CD1-CE2 3.41Å; L145-F149 VanDerWaalsContact CD1-CE2 3.41Å; L145-F149 HydrophobicContact CD1-CZ 4.41Å; L145-F149 HydrophobicContact CG-CD2 3.92Å; L145-F149 HydrophobicContact CG-CE2 3.95Å; L145-F149 WeakPolarHBondContact O-CD2 3.29Å; L145-F149 PolarHBondContact O-N 3.05Å; L145-Y161 HydrophobicContact CD2-CD1 4.14Å; L145-I164 HydrophobicContact CD2-CG2 4.17Å; L145-I165 HydrophobicContact CD2-CD1 4.09Å; L145-I165 HydrophobicContact CD2-CG1 3.54Å; L145-M175 HydrophobicContact CD1-CE 3.85Å; L145-M175 HydrophobicContact CD1-SD 3.98Å; L145-M175 HydrophobicContact CD2-CE 4.43Å
146	P	91.2	Very high	90.1	Very high	51 Å²	51	43.8 Å²	43.8	33%	0.331	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-40.9	-177.6	-23.4	35.7	0	0	0	113.1	S142 E150 Y161	S142-P146 WeakPolarHBondContact O-CD 3.41Å; P146-E150 WeakPolarHBondContact O-CB 3.45Å; P146-E150 PolarHBondContact O-N 2.98Å; P146-Y161 WeakPolarHBondContact CA-OH 3.42Å; P146-Y161 HydrophobicContact CB-CE1 4.27Å; P146-Y161 HydrophobicContact CB-CE2 4.4Å; P146-Y161 HydrophobicContact CG-CE1 4.45Å; P146-Y161 PolarHBondContact O-OH 2.85Å
147	G	92.1	Very high	89.6	Confident	22 Å²	22	37.4 Å²	37.4	23%	0.227	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-39.4	177.6	0	0	0	0	0	112.2	F132 E144 L145 E150 A151	F132-G147 WeakPolarHBondContact CE1-O 2.99Å; F132-G147 VanDerWaalsContact CZ-O 3.25Å; F132-G147 WeakPolarHBondContact CZ-O 2.89Å; E144-G147 PolarHBondContact O-N 2.89Å; L145-G147 PolarHBondContact O-N 3.44Å; G147-E150 PolarHBondContact O-N 3.38Å; G147-A151 WeakPolarHBondContact O-CB 3.09Å; G147-A151 PolarHBondContact O-N 2.81Å
148	A	93.3	Very high	89.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-44.2	177.2	0	0	0	0	0	111.8	I128 F132 E144 L145 A151 A152 F180	I128-A148 HydrophobicContact CG2-CB 4Å; I128-A148 VanDerWaalsContact CG2-O 3.32Å; I128-A148 WeakPolarHBondContact CG2-O 3.38Å; F132-A148 HydrophobicContact CB-CB 3.88Å; F132-A148 HydrophobicContact CD1-CB 4.41Å; F132-A148 HydrophobicContact CD2-CB 4.29Å; F132-A148 HydrophobicContact CG-CB 3.94Å; E144-A148 PolarHBondContact O-N 3.38Å; E144-A148 VanDerWaalsContact O-N 3.1Å; L145-A148 PolarHBondContact O-N 3.01Å; A148-A151 PolarHBondContact O-N 3.49Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 2.75Å; A148-F180 HydrophobicContact CB-CE2 3.97Å; A148-F180 HydrophobicContact CB-CZ 4.12Å
149	F	90.3	Very high	88.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-39.7	178.5	-89.2	-112.5	0	0	0	112.3	L145 A151 A152 G153 F154 L156 Y161 I164 F180 C183 L184 E187	L145-F149 HydrophobicContact CD1-CD2 3.78Å; L145-F149 HydrophobicContact CD1-CE2 3.41Å; L145-F149 VanDerWaalsContact CD1-CE2 3.41Å; L145-F149 HydrophobicContact CD1-CZ 4.41Å; L145-F149 HydrophobicContact CG-CD2 3.92Å; L145-F149 HydrophobicContact CG-CE2 3.95Å; L145-F149 WeakPolarHBondContact O-CD2 3.29Å; L145-F149 PolarHBondContact O-N 3.05Å; F149-A151 PolarHBondContact O-N 3.49Å; F149-A152 CarbonylContact O-C 3.57Å; F149-A152 WeakPolarHBondContact O-CB 3.35Å; F149-A152 PolarHBondContact O-N 3Å; F149-A152 VanDerWaalsContact O-N 3.16Å; F149-G153 PolarHBondContact O-N 3.34Å; F149-G153 VanDerWaalsContact O-N 3.12Å; F149-F154 CarbonylContact C-O 3.46Å; F149-F154 HydrophobicContact CB-CB 4.4Å; F149-F154 HydrophobicContact CD1-CB 4.12Å; F149-F154 PolarHBondContact O-N 2.88Å; F149-L156 HydrophobicContact CD1-CD1 3.46Å; F149-L156 VanDerWaalsContact CD1-CD1 3.46Å; F149-L156 HydrophobicContact CD1-CG 4.32Å; F149-L156 HydrophobicContact CE1-CD1 3.88Å; F149-L156 HydrophobicContact CG-CD1 4.34Å; F149-Y161 HydrophobicContact CB-CE1 4.04Å; F149-Y161 HydrophobicContact CG-CE1 4.22Å; F149-I164 HydrophobicContact CD1-CD1 4.46Å; F149-I164 HydrophobicContact CE1-CD1 3.76Å; F149-I164 HydrophobicContact CZ-CD1 4.25Å; F149-I164 HydrophobicContact CZ-CG2 4.22Å; F149-F180 HydrophobicContact CD2-CE2 4.15Å; F149-F180 HydrophobicContact CE2-CD2 4.09Å; F149-F180 AromaticContact CE2-CE2 3.79Å; F149-F180 HydrophobicContact CE2-CE2 3.79Å; F149-C183 HydrophobicContact CZ-CB 4.36Å; F149-L184 HydrophobicContact CD1-CD2 3.91Å; F149-L184 HydrophobicContact CD2-CD2 4.44Å; F149-L184 HydrophobicContact CE1-CD2 3.67Å; F149-L184 HydrophobicContact CE2-CD2 4.19Å; F149-L184 HydrophobicContact CG-CD2 4.31Å; F149-L184 HydrophobicContact CZ-CD2 3.82Å; F149-L184 HydrophobicContact CZ-CG 4.31Å; F149-E187 HydrophobicContact CE1-CG 4.48Å
150	E	90	Very high	88.2	Confident	118 Å²	118	51 Å²	51	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-61.4	-44.3	174.2	-175.5	171.7	-157.9	0	0	111.6	P146 G147 A152 G153 H155	P146-E150 WeakPolarHBondContact O-CB 3.45Å; P146-E150 PolarHBondContact O-N 2.98Å; G147-E150 PolarHBondContact O-N 3.38Å; E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.44Å; E150-G153 WeakPolarHBondContact O-CA 3.35Å; E150-G153 PolarHBondContact O-N 3.49Å; E150-H155 IonicContact OE1-CE1 2.93Å
151	A	89.6	Confident	87.6	Confident	37 Å²	37	52.6 Å²	52.6	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-29.2	175.4	0	0	0	0	0	113.2	R124 I128 F132 G147 A148 F149 G153	R124-A151 PolarHBondContact NH2-O 2.84Å; I128-A151 HydrophobicContact CD1-CB 4.33Å; I128-A151 HydrophobicContact CG1-CB 4.27Å; I128-A151 HydrophobicContact CG2-CB 4.16Å; F132-A151 HydrophobicContact CD2-CB 4.5Å; F132-A151 HydrophobicContact CE2-CB 3.5Å; F132-A151 VanDerWaalsContact CE2-CB 3.5Å; F132-A151 HydrophobicContact CZ-CB 3.81Å; G147-A151 WeakPolarHBondContact O-CB 3.09Å; G147-A151 PolarHBondContact O-N 2.81Å; A148-A151 PolarHBondContact O-N 3.49Å; F149-A151 PolarHBondContact O-N 3.49Å; A151-G153 PolarHBondContact O-N 3.35Å
152	A	86.6	Confident	87.3	Confident	5 Å²	5	55.1 Å²	55.1	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-74	-14.1	172.6	0	0	0	0	0	112.7	R124 I128 A148 F149 E150 F154 L184	R124-A152 PolarHBondContact NH2-O 3.25Å; I128-A152 HydrophobicContact CD1-CB 3.9Å; A148-A152 WeakPolarHBondContact O-CB 3.44Å; A148-A152 PolarHBondContact O-N 2.75Å; F149-A152 CarbonylContact O-C 3.57Å; F149-A152 WeakPolarHBondContact O-CB 3.35Å; F149-A152 PolarHBondContact O-N 3Å; F149-A152 VanDerWaalsContact O-N 3.16Å; E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 PolarHBondContact O-N 3.44Å; A152-F154 HydrophobicContact CB-CD2 3.73Å; A152-F154 HydrophobicContact CB-CE2 3.98Å; A152-L184 HydrophobicContact CB-CD1 4.19Å; A152-L184 HydrophobicContact CB-CD2 3.96Å
153	G	85.3	Confident	87.2	Confident	48 Å²	48	56.3 Å²	56.3	50%	0.495	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	9.7	178.3	0	0	0	0	0	114.2	F149 E150 A151	F149-G153 PolarHBondContact O-N 3.34Å; F149-G153 VanDerWaalsContact O-N 3.12Å; E150-G153 WeakPolarHBondContact O-CA 3.35Å; E150-G153 PolarHBondContact O-N 3.49Å; A151-G153 PolarHBondContact O-N 3.35Å
154	F	82	Confident	87.1	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.018	28%	0.279	C	S	.	.			trans	-101.5	119.5	-178.2	-60.7	-84.5	0	0	0	111	F149 A152 L156 L184 E187 E188 M191	F149-F154 CarbonylContact C-O 3.46Å; F149-F154 HydrophobicContact CB-CB 4.4Å; F149-F154 HydrophobicContact CD1-CB 4.12Å; F149-F154 PolarHBondContact O-N 2.88Å; A152-F154 HydrophobicContact CB-CD2 3.73Å; A152-F154 HydrophobicContact CB-CE2 3.98Å; F154-L156 HydrophobicContact CB-CD2 4.36Å; F154-L156 HydrophobicContact CB-CG 4.28Å; F154-L184 HydrophobicContact CD2-CD2 3.61Å; F154-L184 HydrophobicContact CE2-CD2 3.54Å; F154-L184 HydrophobicContact CZ-CD2 4.44Å; F154-E187 HydrophobicContact CD1-CB 3.98Å; F154-E187 HydrophobicContact CE1-CB 3.71Å; F154-E187 HydrophobicContact CZ-CB 4.22Å; F154-E188 HydrophobicContact CE1-CB 4.43Å; F154-E188 HydrophobicContact CZ-CB 3.95Å; F154-E188 WeakPolarHBondContact CZ-OE2 3.41Å; F154-M191 HydrophobicContact CD1-CE 3.87Å; F154-M191 HydrophobicContact CD1-CG 4.32Å; F154-M191 HydrophobicContact CE1-CG 4.22Å
155	H	80.2	Confident	86.8	Confident	144 Å²	144	52.9 Å²	52.9	67%	0.667	29%	0.285	S	S	*	.			trans	-101.5	91.8	171.3	-63	-61.6	0	0	0	109.6	E150	E150-H155 IonicContact OE1-CE1 2.93Å
156	L	81.7	Confident	86.7	Confident	19 Å²	19	63.1 Å²	63.1	10%	0.099	32%	0.323	C	S	.	.			trans	-93	148.1	-179.8	-53.6	-179.1	0	0	0	111	F149 F154 L160 Y161 I164 M191	F149-L156 HydrophobicContact CD1-CD1 3.46Å; F149-L156 VanDerWaalsContact CD1-CD1 3.46Å; F149-L156 HydrophobicContact CD1-CG 4.32Å; F149-L156 HydrophobicContact CE1-CD1 3.88Å; F149-L156 HydrophobicContact CG-CD1 4.34Å; F154-L156 HydrophobicContact CB-CD2 4.36Å; F154-L156 HydrophobicContact CB-CG 4.28Å; L156-L160 HydrophobicContact CB-CB 4.07Å; L156-L160 HydrophobicContact CB-CD1 4.42Å; L156-L160 HydrophobicContact CD2-CD1 3.95Å; L156-Y161 HydrophobicContact CB-CD2 3.95Å; L156-Y161 HydrophobicContact CB-CE1 4.25Å; L156-Y161 HydrophobicContact CB-CE2 3.66Å; L156-Y161 HydrophobicContact CB-CG 4.37Å; L156-Y161 HydrophobicContact CD1-CD1 4.22Å; L156-Y161 HydrophobicContact CD1-CE1 3.98Å; L156-Y161 VanDerWaalsContact O-CE2 3.31Å; L156-Y161 WeakPolarHBondContact O-CE2 3.25Å; L156-I164 HydrophobicContact CD1-CD1 3.26Å; L156-M191 HydrophobicContact CD2-CE 4.3Å
157	N	83.1	Confident	86.6	Confident	90 Å²	90	68.8 Å²	68.8	48%	0.481	34%	0.338	S	S	.	.			trans	-81.4	165.6	168.2	66.6	48.9	0	0	0	110.7	H159 L160 Y161	N157-H159 PolarHBondContact O-N 2.92Å; N157-H159 WeakPolarHBondContact OD1-CA 3.46Å; N157-H159 WeakPolarHBondContact OD1-CB 3.48Å; N157-H159 PolarHBondContact OD1-N 3.1Å; N157-L160 PolarHBondContact O-N 3.35Å; N157-L160 VanDerWaalsContact O-N 3.14Å; N157-L160 PolarHBondContact OD1-N 2.72Å; N157-Y161 WeakPolarHBondContact O-CD2 3.46Å; N157-Y161 PolarHBondContact O-N 3.39Å; N157-Y161 VanDerWaalsContact O-N 3.09Å
158	E	84.7	Confident	86.5	Confident	158 Å²	158	69.5 Å²	69.5	74%	0.738	33%	0.334	S	S	*	.	H	α-helix	trans	-57.4	-33.1	-178.2	-168.5	-175.7	173	0	0	113.1	N162	E158-N162 PolarHBondContact O-N 3.11Å; E158-N162 PolarHBondContact O-ND2 3.26Å
159	H	84	Confident	86.4	Confident	125 Å²	125	70.6 Å²	70.6	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-67.8	-43.8	178.3	-177	68.6	0	0	0	112	N157 N162 M163	N157-H159 PolarHBondContact O-N 2.92Å; N157-H159 WeakPolarHBondContact OD1-CA 3.46Å; N157-H159 WeakPolarHBondContact OD1-CB 3.48Å; N157-H159 PolarHBondContact OD1-N 3.1Å; H159-N162 PolarHBondContact O-N 3.32Å; H159-M163 PolarHBondContact O-N 2.97Å; H159-M163 VanDerWaalsContact O-N 3.1Å
160	L	84.2	Confident	86.5	Confident	50 Å²	50	74.6 Å²	74.6	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-44.5	175.3	-69.6	177.6	0	0	0	111.2	L156 N157 N162 M163 I164	L156-L160 HydrophobicContact CB-CB 4.07Å; L156-L160 HydrophobicContact CB-CD1 4.42Å; L156-L160 HydrophobicContact CD2-CD1 3.95Å; N157-L160 PolarHBondContact O-N 3.35Å; N157-L160 VanDerWaalsContact O-N 3.14Å; N157-L160 PolarHBondContact OD1-N 2.72Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-N162 PolarHBondContact O-N 2.94Å; L160-M163 HydrophobicContact CD2-CE 3.49Å; L160-M163 VanDerWaalsContact CD2-CE 3.49Å; L160-M163 PolarHBondContact O-N 3.1Å; L160-M163 VanDerWaalsContact O-N 3.1Å; L160-I164 WeakPolarHBondContact O-CG1 3.24Å; L160-I164 PolarHBondContact O-N 3.21Å
161	Y	84.9	Confident	86.4	Confident	35 Å²	35	78.9 Å²	78.9	14%	0.137	38%	0.383	C	S	.	.	H	α-helix	trans	-56.8	-45.8	175	-82.5	-61.7	0	0	0	112.3	L145 P146 F149 L156 N157 M163 I164 I165	L145-Y161 HydrophobicContact CD2-CD1 4.14Å; P146-Y161 WeakPolarHBondContact CA-OH 3.42Å; P146-Y161 HydrophobicContact CB-CE1 4.27Å; P146-Y161 HydrophobicContact CB-CE2 4.4Å; P146-Y161 HydrophobicContact CG-CE1 4.45Å; P146-Y161 PolarHBondContact O-OH 2.85Å; F149-Y161 HydrophobicContact CB-CE1 4.04Å; F149-Y161 HydrophobicContact CG-CE1 4.22Å; L156-Y161 HydrophobicContact CB-CD2 3.95Å; L156-Y161 HydrophobicContact CB-CE1 4.25Å; L156-Y161 HydrophobicContact CB-CE2 3.66Å; L156-Y161 HydrophobicContact CB-CG 4.37Å; L156-Y161 HydrophobicContact CD1-CD1 4.22Å; L156-Y161 HydrophobicContact CD1-CE1 3.98Å; L156-Y161 VanDerWaalsContact O-CE2 3.31Å; L156-Y161 WeakPolarHBondContact O-CE2 3.25Å; N157-Y161 WeakPolarHBondContact O-CD2 3.46Å; N157-Y161 PolarHBondContact O-N 3.39Å; N157-Y161 VanDerWaalsContact O-N 3.09Å; Y161-M163 VanDerWaalsContact C-N 3.28Å; Y161-M163 PolarHBondContact O-N 2.98Å; Y161-I164 PolarHBondContact O-N 3.46Å; Y161-I165 WeakPolarHBondContact O-CG1 3.35Å; Y161-I165 PolarHBondContact O-N 3.09Å
162	N	86	Confident	86.3	Confident	70 Å²	70	81.6 Å²	81.6	37%	0.374	40%	0.4	S	S	.	.	H	α-helix	trans	-62.1	-35.4	177.6	-78.5	-51.1	0	0	0	112.8	E158 H159 L160 R166	E158-N162 PolarHBondContact O-N 3.11Å; E158-N162 PolarHBondContact O-ND2 3.26Å; H159-N162 PolarHBondContact O-N 3.32Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-N162 PolarHBondContact O-N 2.94Å; N162-R166 WeakPolarHBondContact O-CB 3.12Å; N162-R166 WeakPolarHBondContact O-CD 3.14Å; N162-R166 WeakPolarHBondContact O-CG 3.37Å; N162-R166 PolarHBondContact O-N 3Å
163	M	86.8	Confident	86.4	Confident	90 Å²	90	81.9 Å²	81.9	44%	0.443	40%	0.403	S	S	.	.	H	α-helix	trans	-70	-41.9	175.1	-71.5	-166.2	-65.4	0	0	112.1	H159 L160 Y161 R166 R167	H159-M163 PolarHBondContact O-N 2.97Å; H159-M163 VanDerWaalsContact O-N 3.1Å; L160-M163 HydrophobicContact CD2-CE 3.49Å; L160-M163 VanDerWaalsContact CD2-CE 3.49Å; L160-M163 PolarHBondContact O-N 3.1Å; L160-M163 VanDerWaalsContact O-N 3.1Å; Y161-M163 VanDerWaalsContact C-N 3.28Å; Y161-M163 PolarHBondContact O-N 2.98Å; M163-R166 PolarHBondContact O-N 3.14Å; M163-R167 VanDerWaalsContact O-CB 3.27Å; M163-R167 WeakPolarHBondContact O-CB 3.15Å; M163-R167 PolarHBondContact O-N 3.25Å
164	I	87.9	Confident	86.8	Confident	6 Å²	6	81.6 Å²	81.6	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-60.8	-51	177.3	-72.5	173.2	0	0	0	110.6	L145 F149 L156 L160 Y161 R166 R167 Y168 M175 E187	L145-I164 HydrophobicContact CD2-CG2 4.17Å; F149-I164 HydrophobicContact CD1-CD1 4.46Å; F149-I164 HydrophobicContact CE1-CD1 3.76Å; F149-I164 HydrophobicContact CZ-CD1 4.25Å; F149-I164 HydrophobicContact CZ-CG2 4.22Å; L156-I164 HydrophobicContact CD1-CD1 3.26Å; L160-I164 WeakPolarHBondContact O-CG1 3.24Å; L160-I164 PolarHBondContact O-N 3.21Å; Y161-I164 PolarHBondContact O-N 3.46Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.25Å; I164-R167 PolarHBondContact O-N 3.23Å; I164-Y168 HydrophobicContact CG2-CD2 4.28Å; I164-Y168 WeakPolarHBondContact O-CB 3.46Å; I164-Y168 PolarHBondContact O-N 2.58Å; I164-M175 HydrophobicContact CG2-CE 3.64Å; I164-E187 HydrophobicContact CD1-CG 4.42Å
165	I	88	Confident	87.4	Confident	37 Å²	37	81.4 Å²	81.4	19%	0.19	39%	0.389	C	S	.	.	H	α-helix	trans	-56.5	-46.8	178.9	-67.9	166.7	0	0	0	110	L145 Y161 R167 S169	L145-I165 HydrophobicContact CD2-CD1 4.09Å; L145-I165 HydrophobicContact CD2-CG1 3.54Å; Y161-I165 WeakPolarHBondContact O-CG1 3.35Å; Y161-I165 PolarHBondContact O-N 3.09Å; I165-R167 PolarHBondContact O-N 3.22Å; I165-S169 WeakPolarHBondContact O-CA 3.14Å; I165-S169 WeakPolarHBondContact O-CB 3.47Å; I165-S169 PolarHBondContact O-N 3Å; I165-S169 PolarHBondContact O-OG 3.49Å
166	R	88.4	Confident	88.1	Confident	216 Å²	216	76.1 Å²	76.1	82%	0.815	37%	0.366	S	S	*	.	H	α-helix	trans	-64.8	-25.3	179.4	-73.4	173.8	-177.3	-156.4	1.1	114.2	N162 M163 I164	N162-R166 WeakPolarHBondContact O-CB 3.12Å; N162-R166 WeakPolarHBondContact O-CD 3.14Å; N162-R166 WeakPolarHBondContact O-CG 3.37Å; N162-R166 PolarHBondContact O-N 3Å; M163-R166 PolarHBondContact O-N 3.14Å; I164-R166 VanDerWaalsContact C-N 3.29Å; I164-R166 PolarHBondContact O-N 3.25Å
167	R	88.8	Confident	88.7	Confident	171 Å²	171	75.4 Å²	75.4	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-98.6	-29.7	-172	-177.7	58.5	-176.6	79.5	0.9	113.5	M163 I164 I165	M163-R167 VanDerWaalsContact O-CB 3.27Å; M163-R167 WeakPolarHBondContact O-CB 3.15Å; M163-R167 PolarHBondContact O-N 3.25Å; I164-R167 PolarHBondContact O-N 3.23Å; I165-R167 PolarHBondContact O-N 3.22Å
168	Y	89.9	Confident	89.2	Confident	37 Å²	37	71.5 Å²	71.5	15%	0.145	34%	0.342	C	S	.	.	H	α-helix	trans	-126.2	-7.2	-169.3	-67.2	-77.1	0	0	0	113.6	I164 N179 C183	I164-Y168 HydrophobicContact CG2-CD2 4.28Å; I164-Y168 WeakPolarHBondContact O-CB 3.46Å; I164-Y168 PolarHBondContact O-N 2.58Å; Y168-N179 HydrophobicContact CD1-CB 4.36Å; Y168-N179 VanDerWaalsContact O-CB 3.28Å; Y168-N179 WeakPolarHBondContact O-CB 3.43Å; Y168-C183 HydrophobicContact CD1-CB 4.16Å; Y168-C183 HydrophobicContact CD2-CB 3.96Å; Y168-C183 HydrophobicContact CE1-CB 4.24Å; Y168-C183 HydrophobicContact CE2-CB 4.04Å; Y168-C183 HydrophobicContact CG-CB 4.02Å
169	S	92.6	Very high	89.6	Confident	22 Å²	22	66 Å²	66	15%	0.154	32%	0.317	C	S	.	.	S	Bend	trans	-104.8	157	175	-52.7	0	0	0	0	111.7	I165 N174	I165-S169 WeakPolarHBondContact O-CA 3.14Å; I165-S169 WeakPolarHBondContact O-CB 3.47Å; I165-S169 PolarHBondContact O-N 3Å; I165-S169 PolarHBondContact O-OG 3.49Å; S169-N174 CarbonylContact C-O 3.56Å; S169-N174 VanDerWaalsContact CA-O 3.27Å; S169-N174 WeakPolarHBondContact CA-O 3.34Å; S169-N174 WeakPolarHBondContact CB-O 3.47Å
170	D	91.4	Very high	90	Very high	84 Å²	84	60.1 Å²	60.1	45%	0.449	29%	0.29	S	S	.	.			trans	-69.7	178.9	172.1	72	12	0	0	0	112.5	S172 G173 N174	D170-S172 PolarHBondContact O-N 3.29Å; D170-S172 VanDerWaalsContact O-N 3.08Å; D170-S172 VanDerWaalsContact OD1-C 3.29Å; D170-S172 VanDerWaalsContact OD1-CA 3.25Å; D170-S172 WeakPolarHBondContact OD1-CA 3.24Å; D170-S172 VanDerWaalsContact OD1-CB 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.31Å; D170-S172 PolarHBondContact OD1-N 2.98Å; D170-G173 PolarHBondContact O-N 2.85Å; D170-G173 PolarHBondContact OD1-N 2.88Å; D170-N174 PolarHBondContact N-O 3.31Å; D170-N174 PolarHBondContact OD1-N 3.45Å
171	E	87.5	Confident	90.4	Very high	208 Å²	208	57.7 Å²	57.7	97%	0.972	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.9	178.2	-63.4	-176.6	171.6	0	0	113.6
172	S	87.5	Confident	90.6	Very high	95 Å²	95	56.7 Å²	56.7	66%	0.664	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.8	177.5	-56.6	0	0	0	0	112.6	D170 N174	D170-S172 PolarHBondContact O-N 3.29Å; D170-S172 VanDerWaalsContact O-N 3.08Å; D170-S172 VanDerWaalsContact OD1-C 3.29Å; D170-S172 VanDerWaalsContact OD1-CA 3.25Å; D170-S172 WeakPolarHBondContact OD1-CA 3.24Å; D170-S172 VanDerWaalsContact OD1-CB 3.3Å; D170-S172 WeakPolarHBondContact OD1-CB 3.31Å; D170-S172 PolarHBondContact OD1-N 2.98Å; S172-N174 WeakPolarHBondContact CB-ND2 3.46Å
173	G	89.6	Confident	90.8	Very high	11 Å²	11	53.3 Å²	53.3	11%	0.113	26%	0.257	C	S	.	.	S	Bend	trans	77.7	20.6	-178.1	0	0	0	0	0	113.9	S142 D170	S142-G173 PolarHBondContact N-O 2.86Å; D170-G173 PolarHBondContact O-N 2.85Å; D170-G173 PolarHBondContact OD1-N 2.88Å
174	N	93.6	Very high	90.9	Very high	41 Å²	41	49 Å²	49	22%	0.219	24%	0.236	C	C	.	.			trans	-98.3	136	176.5	-56.8	-54.1	0	0	0	110.8	T139 C141 S169 D170 S172	T139-N174 HydrophobicContact CG2-CB 4.29Å; C141-N174 VanDerWaalsContact CB-OD1 3.26Å; C141-N174 WeakPolarHBondContact CB-OD1 3.27Å; S169-N174 CarbonylContact C-O 3.56Å; S169-N174 VanDerWaalsContact CA-O 3.27Å; S169-N174 WeakPolarHBondContact CA-O 3.34Å; S169-N174 WeakPolarHBondContact CB-O 3.47Å; D170-N174 PolarHBondContact N-O 3.31Å; D170-N174 PolarHBondContact OD1-N 3.45Å; S172-N174 WeakPolarHBondContact CB-ND2 3.46Å
175	M	95	Very high	90.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-108.9	120	178.3	-170.9	174.5	-63.2	0	0	109.9	Y129 T139 I140 L145 I164 N179 F180	Y129-M175 PolarHBondContact OH-O 3.02Å; T139-M175 WeakPolarHBondContact CA-O 3.36Å; I140-M175 PolarHBondContact N-O 2.89Å; I140-M175 PolarHBondContact O-N 2.88Å; L145-M175 HydrophobicContact CD1-CE 3.85Å; L145-M175 HydrophobicContact CD1-SD 3.98Å; L145-M175 HydrophobicContact CD2-CE 4.43Å; I164-M175 HydrophobicContact CG2-CE 3.64Å; M175-N179 HydrophobicContact CG-CB 3.92Å; M175-F180 HydrophobicContact CG-CB 4.09Å; M175-F180 VanDerWaalsContact SD-CA 3.53Å; M175-F180 HydrophobicContact SD-CB 3.92Å; M175-F180 HydrophobicContact SD-CD2 3.97Å; M175-F180 HydrophobicContact SD-CG 4.44Å
176	D	94.9	Very high	90.2	Very high	34 Å²	34	50 Å²	50	18%	0.182	24%	0.241	C	C	.	.			trans	-76.3	174.7	172.8	61.6	18.8	0	0	0	111.6	K86 Y129 T139 N179 F180	K86-D176 WeakPolarHBondContact O-CB 3.38Å; Y129-D176 WeakPolarHBondContact OH-CA 3.44Å; T139-D176 HydrophobicContact CG2-CB 4.39Å; D176-N179 WeakPolarHBondContact OD1-CB 3.18Å; D176-N179 VanDerWaalsContact OD1-CG 3.29Å; D176-N179 PolarHBondContact OD1-N 3.46Å; D176-N179 VanDerWaalsContact OD1-N 3.15Å; D176-N179 PolarHBondContact OD1-ND2 3.47Å; D176-N179 PolarHBondContact OD2-ND2 3.36Å; D176-F180 WeakPolarHBondContact O-CB 3.3Å; D176-F180 PolarHBondContact O-N 3.41Å
177	F	94.6	Very high	89.5	Confident	4 Å²	4	41 Å²	41	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-68.7	-42.6	-167.6	178.5	-109.4	0	0	0	112.8	V79 L85 K86 F90 Q126 Y129 F180 I181	V79-F177 HydrophobicContact CG1-CD1 3.61Å; V79-F177 HydrophobicContact CG1-CE1 3.71Å; L85-F177 HydrophobicContact CB-CB 4.13Å; L85-F177 HydrophobicContact CB-CD1 4.46Å; L85-F177 HydrophobicContact CB-CG 4.17Å; L85-F177 HydrophobicContact CD1-CD1 3.93Å; L85-F177 HydrophobicContact CD1-CD2 4.09Å; L85-F177 HydrophobicContact CD1-CE1 3.91Å; L85-F177 HydrophobicContact CD1-CE2 4.09Å; L85-F177 HydrophobicContact CD1-CG 4.01Å; L85-F177 HydrophobicContact CD1-CZ 3.99Å; L85-F177 HydrophobicContact CD2-CD2 3.98Å; L85-F177 HydrophobicContact CD2-CE2 4.42Å; L85-F177 HydrophobicContact CD2-CG 4.3Å; L85-F177 HydrophobicContact CG-CD2 4.48Å; L85-F177 HydrophobicContact CG-CG 4.39Å; K86-F177 VanDerWaalsContact O-CB 3.25Å; K86-F177 WeakPolarHBondContact O-CB 3.45Å; K86-F177 PolarHBondContact O-N 2.98Å; F90-F177 HydrophobicContact CE2-CD1 4Å; F90-F177 AromaticContact CE2-CE1 3.92Å; F90-F177 HydrophobicContact CE2-CE1 3.92Å; F90-F177 HydrophobicContact CZ-CD1 4.08Å; F90-F177 AromaticContact CZ-CE1 3.9Å; F90-F177 HydrophobicContact CZ-CE1 3.9Å; Q126-F177 HydrophobicContact CB-CE2 3.96Å; Q126-F177 HydrophobicContact CB-CZ 4.01Å; Q126-F177 HydrophobicContact CG-CE2 3.91Å; Q126-F177 HydrophobicContact CG-CZ 3.94Å; Y129-F177 AromaticContact CD1-CD2 3.97Å; Y129-F177 HydrophobicContact CD1-CD2 3.97Å; Y129-F177 HydrophobicContact CD2-CD2 4.16Å; Y129-F177 HydrophobicContact CE1-CB 4.23Å; Y129-F177 HydrophobicContact CE1-CD2 4.23Å; Y129-F177 HydrophobicContact CE2-CB 4.43Å; Y129-F177 HydrophobicContact CE2-CD2 4.39Å; Y129-F177 AromaticContact CG-CD2 3.91Å; Y129-F177 HydrophobicContact CG-CD2 3.91Å; Y129-F177 HydrophobicContact CG-CE2 4.49Å; Y129-F177 PolarHBondContact OH-N 3.36Å; Y129-F177 VanDerWaalsContact OH-N 3.13Å; F177-F180 PolarHBondContact O-N 2.81Å; F177-I181 HydrophobicContact CD1-CG1 4.49Å; F177-I181 HydrophobicContact CD2-CG1 4.18Å; F177-I181 HydrophobicContact CE1-CG1 4.06Å; F177-I181 HydrophobicContact CE2-CD1 3.83Å; F177-I181 HydrophobicContact CE2-CG1 3.68Å; F177-I181 HydrophobicContact CZ-CD1 3.93Å; F177-I181 HydrophobicContact CZ-CG1 3.63Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.36Å; F177-I181 PolarHBondContact O-N 2.92Å
178	D	92.6	Very high	88.5	Confident	8 Å²	8	35.9 Å²	35.9	4%	0.043	19%	0.192	C	C	.	.	H	α-helix	trans	-67.8	-39.4	178.9	58.3	-79.6	0	0	0	111.5	T87 D88 F90 F180 I181 S182	T87-D178 VanDerWaalsContact CA-OD1 3.27Å; T87-D178 WeakPolarHBondContact CA-OD1 3.45Å; T87-D178 VanDerWaalsContact CB-OD1 3.25Å; T87-D178 WeakPolarHBondContact CB-OD1 3.35Å; T87-D178 WeakPolarHBondContact OG1-CB 3.44Å; T87-D178 PolarHBondContact OG1-OD1 3.24Å; D88-D178 PolarHBondContact N-OD1 3.47Å; F90-D178 HydrophobicContact CD1-CB 4.18Å; F90-D178 HydrophobicContact CD2-CB 4.24Å; F90-D178 HydrophobicContact CE1-CB 4.03Å; F90-D178 HydrophobicContact CE2-CB 4.09Å; F90-D178 HydrophobicContact CG-CB 4.29Å; F90-D178 HydrophobicContact CZ-CB 3.99Å; D178-F180 PolarHBondContact O-N 3.43Å; D178-I181 PolarHBondContact O-N 3.35Å; D178-S182 VanDerWaalsContact O-CB 3.23Å; D178-S182 WeakPolarHBondContact O-CB 3.47Å; D178-S182 PolarHBondContact O-N 3.33Å; D178-S182 PolarHBondContact O-OG 3.33Å
179	N	93.3	Very high	87	Confident	43 Å²	43	35.1 Å²	35.1	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-37.6	173.8	-76.4	-60	0	0	0	112.1	Y168 M175 D176 S182 C183	Y168-N179 HydrophobicContact CD1-CB 4.36Å; Y168-N179 VanDerWaalsContact O-CB 3.28Å; Y168-N179 WeakPolarHBondContact O-CB 3.43Å; M175-N179 HydrophobicContact CG-CB 3.92Å; D176-N179 WeakPolarHBondContact OD1-CB 3.18Å; D176-N179 VanDerWaalsContact OD1-CG 3.29Å; D176-N179 PolarHBondContact OD1-N 3.46Å; D176-N179 VanDerWaalsContact OD1-N 3.15Å; D176-N179 PolarHBondContact OD1-ND2 3.47Å; D176-N179 PolarHBondContact OD2-ND2 3.36Å; N179-S182 PolarHBondContact O-N 3.05Å; N179-C183 VanDerWaalsContact O-CB 3.28Å; N179-C183 WeakPolarHBondContact O-CB 3.38Å; N179-C183 PolarHBondContact O-N 2.88Å
180	F	93.5	Very high	85.2	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-49.4	175.4	-177.8	-99.4	0	0	0	112.4	W125 I128 Y129 I140 A148 F149 M175 D176 F177 D178 S182 C183 L184	W125-F180 HydrophobicContact CB-CE1 4.19Å; I128-F180 HydrophobicContact CG2-CZ 4.23Å; Y129-F180 HydrophobicContact CD2-CB 3.81Å; Y129-F180 AromaticContact CD2-CD1 3.49Å; Y129-F180 HydrophobicContact CD2-CD1 3.49Å; Y129-F180 VanDerWaalsContact CD2-CD1 3.49Å; Y129-F180 HydrophobicContact CD2-CD2 4.05Å; Y129-F180 AromaticContact CD2-CE1 3.96Å; Y129-F180 HydrophobicContact CD2-CE1 3.96Å; Y129-F180 HydrophobicContact CD2-CE2 4.48Å; Y129-F180 AromaticContact CD2-CG 3.52Å; Y129-F180 HydrophobicContact CD2-CG 3.52Å; Y129-F180 HydrophobicContact CD2-CZ 4.43Å; Y129-F180 HydrophobicContact CE2-CB 3.72Å; Y129-F180 HydrophobicContact CE2-CD1 4.3Å; Y129-F180 HydrophobicContact CE2-CD2 4.42Å; Y129-F180 AromaticContact CE2-CG 3.92Å; Y129-F180 HydrophobicContact CE2-CG 3.92Å; Y129-F180 HydrophobicContact CG-CD1 4.31Å; I140-F180 HydrophobicContact CG1-CD2 4.49Å; A148-F180 HydrophobicContact CB-CE2 3.97Å; A148-F180 HydrophobicContact CB-CZ 4.12Å; F149-F180 HydrophobicContact CD2-CE2 4.15Å; F149-F180 HydrophobicContact CE2-CD2 4.09Å; F149-F180 AromaticContact CE2-CE2 3.79Å; F149-F180 HydrophobicContact CE2-CE2 3.79Å; M175-F180 HydrophobicContact CG-CB 4.09Å; M175-F180 VanDerWaalsContact SD-CA 3.53Å; M175-F180 HydrophobicContact SD-CB 3.92Å; M175-F180 HydrophobicContact SD-CD2 3.97Å; M175-F180 HydrophobicContact SD-CG 4.44Å; D176-F180 WeakPolarHBondContact O-CB 3.3Å; D176-F180 PolarHBondContact O-N 3.41Å; F177-F180 PolarHBondContact O-N 2.81Å; D178-F180 PolarHBondContact O-N 3.43Å; F180-S182 VanDerWaalsContact C-N 3.35Å; F180-C183 PolarHBondContact O-N 2.69Å; F180-L184 HydrophobicContact CD1-CD1 3.85Å; F180-L184 HydrophobicContact CE1-CD1 3.3Å; F180-L184 HydrophobicContact CE1-CG 4.42Å; F180-L184 HydrophobicContact CE2-CD1 4.12Å; F180-L184 HydrophobicContact CG-CD1 4.47Å; F180-L184 HydrophobicContact CZ-CD1 3.47Å; F180-L184 VanDerWaalsContact CZ-CD1 3.47Å; F180-L184 HydrophobicContact CZ-CG 4.41Å; F180-L184 WeakPolarHBondContact O-CG 3.19Å; F180-L184 PolarHBondContact O-N 2.8Å
181	I	92.1	Very high	83.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-65.9	-39.4	177.9	-62.6	-64.8	0	0	0	111	F90 M98 I122 W125 F177 D178 L184 A185	F90-I181 HydrophobicContact CE1-CB 3.89Å; F90-I181 HydrophobicContact CE1-CG2 3.84Å; F90-I181 HydrophobicContact CZ-CB 3.95Å; F90-I181 HydrophobicContact CZ-CG1 4.12Å; F90-I181 HydrophobicContact CZ-CG2 4.13Å; M98-I181 HydrophobicContact CE-CG2 3.73Å; I122-I181 HydrophobicContact CG1-CG2 4.12Å; W125-I181 HydrophobicContact CB-CD1 3.51Å; W125-I181 HydrophobicContact CE3-CD1 4.07Å; W125-I181 HydrophobicContact CE3-CG2 4.28Å; W125-I181 HydrophobicContact CG-CD1 4.46Å; F177-I181 HydrophobicContact CD1-CG1 4.49Å; F177-I181 HydrophobicContact CD2-CG1 4.18Å; F177-I181 HydrophobicContact CE1-CG1 4.06Å; F177-I181 HydrophobicContact CE2-CD1 3.83Å; F177-I181 HydrophobicContact CE2-CG1 3.68Å; F177-I181 HydrophobicContact CZ-CD1 3.93Å; F177-I181 HydrophobicContact CZ-CG1 3.63Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.36Å; F177-I181 PolarHBondContact O-N 2.92Å; D178-I181 PolarHBondContact O-N 3.35Å; I181-L184 PolarHBondContact O-N 3.34Å; I181-A185 VanDerWaalsContact O-CB 3.29Å; I181-A185 WeakPolarHBondContact O-CB 3.43Å; I181-A185 PolarHBondContact O-N 2.92Å
182	S	89.1	Confident	81.4	Confident	13 Å²	13	30 Å²	30	9%	0.091	17%	0.171	C	C	.	.	H	α-helix	trans	-61.3	-44.3	176.1	-58.4	0	0	0	0	111.8	T94 D178 N179 F180 Q186	T94-S182 WeakPolarHBondContact CG2-OG 3.03Å; D178-S182 VanDerWaalsContact O-CB 3.23Å; D178-S182 WeakPolarHBondContact O-CB 3.47Å; D178-S182 PolarHBondContact O-N 3.33Å; D178-S182 PolarHBondContact O-OG 3.33Å; N179-S182 PolarHBondContact O-N 3.05Å; F180-S182 VanDerWaalsContact C-N 3.35Å; S182-Q186 WeakPolarHBondContact O-CB 3.49Å; S182-Q186 PolarHBondContact O-N 3.07Å
183	C	89.4	Confident	79.1	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-48.3	178.8	-171.6	0	0	0	0	111.3	F149 Y168 N179 F180 A185 Q186 E187	F149-C183 HydrophobicContact CZ-CB 4.36Å; Y168-C183 HydrophobicContact CD1-CB 4.16Å; Y168-C183 HydrophobicContact CD2-CB 3.96Å; Y168-C183 HydrophobicContact CE1-CB 4.24Å; Y168-C183 HydrophobicContact CE2-CB 4.04Å; Y168-C183 HydrophobicContact CG-CB 4.02Å; N179-C183 VanDerWaalsContact O-CB 3.28Å; N179-C183 WeakPolarHBondContact O-CB 3.38Å; N179-C183 PolarHBondContact O-N 2.88Å; F180-C183 PolarHBondContact O-N 2.69Å; C183-A185 PolarHBondContact O-N 3.3Å; C183-Q186 CarbonylContact O-C 3.58Å; C183-Q186 PolarHBondContact O-N 3.36Å; C183-Q186 VanDerWaalsContact O-N 3.12Å; C183-E187 WeakPolarHBondContact O-CG 3.18Å; C183-E187 PolarHBondContact O-N 2.95Å
184	L	88.7	Confident	76.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.4	-38.1	-179.5	-70.9	176.7	0	0	0	112.6	W125 F149 A152 F154 F180 I181 Q186 E187 E188	W125-L184 HydrophobicContact CB-CD1 3.81Å; W125-L184 HydrophobicContact CD2-CB 3.86Å; W125-L184 HydrophobicContact CD2-CD1 3.89Å; W125-L184 HydrophobicContact CE3-CB 4.06Å; W125-L184 HydrophobicContact CG-CB 4.37Å; W125-L184 HydrophobicContact CG-CD1 3.49Å; W125-L184 VanDerWaalsContact CG-CD1 3.49Å; W125-L184 HydrophobicContact CH2-CB 4.25Å; W125-L184 HydrophobicContact CZ2-CB 4.04Å; W125-L184 HydrophobicContact CZ3-CB 4.25Å; F149-L184 HydrophobicContact CD1-CD2 3.91Å; F149-L184 HydrophobicContact CD2-CD2 4.44Å; F149-L184 HydrophobicContact CE1-CD2 3.67Å; F149-L184 HydrophobicContact CE2-CD2 4.19Å; F149-L184 HydrophobicContact CG-CD2 4.31Å; F149-L184 HydrophobicContact CZ-CD2 3.82Å; F149-L184 HydrophobicContact CZ-CG 4.31Å; A152-L184 HydrophobicContact CB-CD1 4.19Å; A152-L184 HydrophobicContact CB-CD2 3.96Å; F154-L184 HydrophobicContact CD2-CD2 3.61Å; F154-L184 HydrophobicContact CE2-CD2 3.54Å; F154-L184 HydrophobicContact CZ-CD2 4.44Å; F180-L184 HydrophobicContact CD1-CD1 3.85Å; F180-L184 HydrophobicContact CE1-CD1 3.3Å; F180-L184 HydrophobicContact CE1-CG 4.42Å; F180-L184 HydrophobicContact CE2-CD1 4.12Å; F180-L184 HydrophobicContact CG-CD1 4.47Å; F180-L184 HydrophobicContact CZ-CD1 3.47Å; F180-L184 VanDerWaalsContact CZ-CD1 3.47Å; F180-L184 HydrophobicContact CZ-CG 4.41Å; F180-L184 WeakPolarHBondContact O-CG 3.19Å; F180-L184 PolarHBondContact O-N 2.8Å; I181-L184 PolarHBondContact O-N 3.34Å; L184-Q186 VanDerWaalsContact C-N 3.33Å; L184-E187 PolarHBondContact O-N 3.19Å; L184-E188 WeakPolarHBondContact O-CB 3.41Å; L184-E188 PolarHBondContact O-N 3.32Å
185	A	83.3	Confident	74.1	Confident	7 Å²	7	43.6 Å²	43.6	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-54.7	-55	168.8	0	0	0	0	0	108.9	M98 W125 I181 C183 E187 E188 I189	M98-A185 HydrophobicContact CE-CB 4.09Å; M98-A185 HydrophobicContact CG-CB 3.92Å; W125-A185 HydrophobicContact CH2-CB 4.35Å; W125-A185 HydrophobicContact CZ3-CB 4.21Å; I181-A185 VanDerWaalsContact O-CB 3.29Å; I181-A185 WeakPolarHBondContact O-CB 3.43Å; I181-A185 PolarHBondContact O-N 2.92Å; C183-A185 PolarHBondContact O-N 3.3Å; A185-E187 VanDerWaalsContact C-N 3.31Å; A185-E187 PolarHBondContact O-N 2.88Å; A185-E188 PolarHBondContact O-N 3.35Å; A185-I189 VanDerWaalsContact C-CD1 3.48Å; A185-I189 HydrophobicContact CB-CD1 4.44Å; A185-I189 VanDerWaalsContact O-CB 3.29Å; A185-I189 WeakPolarHBondContact O-CB 3.47Å; A185-I189 WeakPolarHBondContact O-CD1 3.35Å; A185-I189 WeakPolarHBondContact O-CG1 3.41Å; A185-I189 PolarHBondContact O-N 2.88Å
186	Q	78.8	Confident	71.2	Confident	55 Å²	55	50.7 Å²	50.7	26%	0.257	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-30.8	-178.3	-164.3	64.9	53.5	0	0	114.8	S182 C183 L184 I189 N190	S182-Q186 WeakPolarHBondContact O-CB 3.49Å; S182-Q186 PolarHBondContact O-N 3.07Å; C183-Q186 CarbonylContact O-C 3.58Å; C183-Q186 PolarHBondContact O-N 3.36Å; C183-Q186 VanDerWaalsContact O-N 3.12Å; L184-Q186 VanDerWaalsContact C-N 3.33Å; Q186-I189 WeakPolarHBondContact O-CB 3.42Å; Q186-N190 PolarHBondContact O-N 3.09Å; Q186-N190 PolarHBondContact O-ND2 3.06Å
187	E	74	Confident	68.3	Low	29 Å²	29	56.8 Å²	56.8	14%	0.136	31%	0.308	C	S	.	.	H	α-helix	trans	-79.8	-40.3	178.6	-70.5	-60.3	145.5	0	0	112.9	F149 F154 I164 C183 L184 A185 I189 N190 M191	F149-E187 HydrophobicContact CE1-CG 4.48Å; F154-E187 HydrophobicContact CD1-CB 3.98Å; F154-E187 HydrophobicContact CE1-CB 3.71Å; F154-E187 HydrophobicContact CZ-CB 4.22Å; I164-E187 HydrophobicContact CD1-CG 4.42Å; C183-E187 WeakPolarHBondContact O-CG 3.18Å; C183-E187 PolarHBondContact O-N 2.95Å; L184-E187 PolarHBondContact O-N 3.19Å; A185-E187 VanDerWaalsContact C-N 3.31Å; A185-E187 PolarHBondContact O-N 2.88Å; E187-I189 PolarHBondContact O-N 2.98Å; E187-I189 VanDerWaalsContact O-N 3.16Å; E187-N190 PolarHBondContact O-N 2.71Å; E187-N190 VanDerWaalsContact O-N 3.13Å; E187-M191 WeakPolarHBondContact O-CG 3.39Å; E187-M191 PolarHBondContact O-N 3.21Å; E187-M191 VanDerWaalsContact O-N 3.16Å
188	E	66.9	Low	67	Low	63 Å²	63	59.4 Å²	59.4	29%	0.294	32%	0.323	S	S	.	.	H	α-helix	trans	-54.8	-34.5	170.6	-168.8	74.8	-176.8	0	0	110.2	Y117 W125 F154 L184 A185	Y117-E188 PolarHBondContact OH-OE1 2.93Å; W125-E188 HydrophobicContact CZ2-CB 4.46Å; F154-E188 HydrophobicContact CE1-CB 4.43Å; F154-E188 HydrophobicContact CZ-CB 3.95Å; F154-E188 WeakPolarHBondContact CZ-OE2 3.41Å; L184-E188 WeakPolarHBondContact O-CB 3.41Å; L184-E188 PolarHBondContact O-N 3.32Å; A185-E188 PolarHBondContact O-N 3.35Å
189	I	59.2	Low	65.7	Low	20 Å²	20	62.1 Å²	62.1	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-74.6	-32.9	-178.5	-71.7	171.7	0	0	0	113.3	V101 M102 A185 Q186 E187 P192	V101-I189 HydrophobicContact CB-CB 4.26Å; V101-I189 HydrophobicContact CB-CD1 3.36Å; V101-I189 HydrophobicContact CB-CG1 3.47Å; V101-I189 VanDerWaalsContact CB-CG1 3.47Å; V101-I189 HydrophobicContact CB-CG2 4.07Å; V101-I189 HydrophobicContact CG1-CB 3.78Å; V101-I189 HydrophobicContact CG1-CD1 3.85Å; V101-I189 HydrophobicContact CG1-CG1 3.3Å; V101-I189 HydrophobicContact CG1-CG2 3.66Å; V101-I189 HydrophobicContact CG2-CB 4.34Å; V101-I189 HydrophobicContact CG2-CD1 3.52Å; V101-I189 HydrophobicContact CG2-CG1 3.93Å; V101-I189 HydrophobicContact CG2-CG2 3.67Å; M102-I189 HydrophobicContact CE-CG1 4.31Å; A185-I189 VanDerWaalsContact C-CD1 3.48Å; A185-I189 HydrophobicContact CB-CD1 4.44Å; A185-I189 VanDerWaalsContact O-CB 3.29Å; A185-I189 WeakPolarHBondContact O-CB 3.47Å; A185-I189 WeakPolarHBondContact O-CD1 3.35Å; A185-I189 WeakPolarHBondContact O-CG1 3.41Å; A185-I189 PolarHBondContact O-N 2.88Å; Q186-I189 WeakPolarHBondContact O-CB 3.42Å; E187-I189 PolarHBondContact O-N 2.98Å; E187-I189 VanDerWaalsContact O-N 3.16Å; I189-P192 WeakPolarHBondContact O-CD 3.44Å
190	N	54	Low	64.1	Low	67 Å²	67	63.2 Å²	63.2	36%	0.358	34%	0.343	S	S	.	.	H	α-helix	trans	-90.5	-19.4	-178	-75.6	-23.5	0	0	0	113.3	Q186 E187 P192 Q193	Q186-N190 PolarHBondContact O-N 3.09Å; Q186-N190 PolarHBondContact O-ND2 3.06Å; E187-N190 PolarHBondContact O-N 2.71Å; E187-N190 VanDerWaalsContact O-N 3.13Å; N190-P192 VanDerWaalsContact C-CD 3.4Å; N190-Q193 PolarHBondContact O-N 3.03Å
191	M	52.9	Low	62.4	Low	63 Å²	63	66.9 Å²	66.9	31%	0.31	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-26.5	-179.4	-79.9	-75.3	-167.4	0	0	116.6	F154 L156 E187 Q193	F154-M191 HydrophobicContact CD1-CE 3.87Å; F154-M191 HydrophobicContact CD1-CG 4.32Å; F154-M191 HydrophobicContact CE1-CG 4.22Å; L156-M191 HydrophobicContact CD2-CE 4.3Å; E187-M191 WeakPolarHBondContact O-CG 3.39Å; E187-M191 PolarHBondContact O-N 3.21Å; E187-M191 VanDerWaalsContact O-N 3.16Å; M191-Q193 VanDerWaalsContact C-N 3.3Å; M191-Q193 PolarHBondContact O-N 3.02Å
192	P	46.6	Very low	60.5	Low	78 Å²	78	71.1 Å²	71.1	51%	0.506	39%	0.386	S	S	.	.	H	α-helix	trans	-73.8	-15.8	172.9	11.2	-6.5	0	0	0	114.1	I189 N190	I189-P192 WeakPolarHBondContact O-CD 3.44Å; N190-P192 VanDerWaalsContact C-CD 3.4Å
193	Q	39.8	Very low	58.6	Low	150 Å²	150	74.9 Å²	74.9	70%	0.701	41%	0.406	S	S	*	.	H	α-helix	trans	-89.4	-20.1	179.9	-68.2	-74	-17.7	0	0	113.4	N190 M191	N190-Q193 PolarHBondContact O-N 3.03Å; M191-Q193 VanDerWaalsContact C-N 3.3Å; M191-Q193 PolarHBondContact O-N 3.02Å
194	L	40.2	Very low	56.4	Low	125 Å²	125	80.3 Å²	80.3	65%	0.654	44%	0.435	S	S	*	.	H	α-helix	trans	-92.1	-10.8	-179.1	-79.2	162.6	0	0	0	114.2
195	L	37.6	Very low	54	Low	157 Å²	157	86.5 Å²	86.5	82%	0.822	47%	0.468	S	S	*	.	S	Bend	trans	-90.9	1.6	173.9	-79	165.4	0	0	0	113.7
196	I	34.4	Very low	51.5	Low	149 Å²	149	93.1 Å²	93.1	76%	0.764	50%	0.503	S	S	*	.			trans	-119.2	17.2	178.9	-40.2	175.9	0	0	0	111.4
197	S	33.8	Very low	49	Very low	161 Å²	161	96.5 Å²	96.5	100%	1.126	53%	0.525	S	S	*	.			trans	-112	0	172.2	176.5	0	0	0	0	112.6

Retrieved 197 of 197 residues in 250.2 ms (Link to these results)

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