A0A087XZV2_POEFO Loading...

Speedy/RINGO cell cycle regulator family member A

AlphaFold DB , UniProt , Accession A0A087XZV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	41.9	Very low	245 Å²	245	160.5 Å²	160.5	100%	1.207	88%	0.881	S	S	*	*				0	93.7	0	-89.2	167.1	148.4	0	0	108.7
2	M	40.4	Very low	41.4	Very low	195 Å²	195	158.1 Å²	158.1	96%	0.961	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-89.8	124.7	174.8	-69.2	-161.3	174.3	0	0	108.8
3	K	46.8	Very low	40.8	Very low	207 Å²	207	161.2 Å²	161.2	90%	0.9	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-84.3	121.8	179.4	-70.2	178.2	176.5	177.2	0	109.1
4	T	51.7	Low	40.4	Very low	134 Å²	134	166.6 Å²	166.6	82%	0.822	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-67.9	138.5	173.4	-20	0	0	0	0	110.5
5	P	47.9	Very low	40	Very low	110 Å²	110	168.7 Å²	168.7	71%	0.714	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-81.8	156.4	170.7	13.4	0.6	0	0	0	111.6
6	P	45.1	Very low	39.7	Very low	128 Å²	128	168.3 Å²	168.3	83%	0.831	87%	0.873	S	S	*	*	P	Polyproline II helix	trans	-75.9	144.4	-175.9	30.8	-32.4	0	0	0	112.3	A8	P6-A8 PolarHBondContact O-N 3.18Å
7	S	38.1	Very low	39.3	Very low	123 Å²	123	166.7 Å²	166.7	86%	0.86	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-70.3	119.8	178.8	-158.5	0	0	0	0	110.9
8	A	36.1	Very low	39.2	Very low	94 Å²	94	170.2 Å²	170.2	78%	0.777	87%	0.872	S	S	*	*			trans	-89.5	107.3	178	0	0	0	0	0	110.6	P6	P6-A8 PolarHBondContact O-N 3.18Å
9	S	38.9	Very low	38.9	Very low	116 Å²	116	171.4 Å²	171.4	81%	0.811	87%	0.873	S	S	*	*			trans	-88.9	107.6	172	46.2	0	0	0	0	110.9	R11	S9-R11 PolarHBondContact O-N 2.88Å
10	L	33.4	Very low	38.5	Very low	168 Å²	168	171.8 Å²	171.8	88%	0.88	87%	0.874	S	S	*	*			trans	-78.5	103.5	173	-76.9	166.8	0	0	0	110.7	V12	L10-V12 PolarHBondContact O-N 3.5Å
11	R	39.5	Very low	38.1	Very low	245 Å²	245	173.9 Å²	173.9	93%	0.925	87%	0.871	S	S	*	*			trans	-77	105.4	164.1	-92.5	-175	-171.6	-179.6	3.5	109.6	S9 K13	S9-R11 PolarHBondContact O-N 2.88Å; R11-K13 PolarHBondContact O-N 2.67Å
12	V	35.6	Very low	38.1	Very low	132 Å²	132	172 Å²	172	80%	0.8	86%	0.856	S	S	*	*			trans	-80.6	105.6	166.9	179.4	0	0	0	0	109	L10 R14	L10-V12 PolarHBondContact O-N 3.5Å; V12-R14 PolarHBondContact O-N 3.12Å
13	K	33.8	Very low	37.7	Very low	199 Å²	199	169.4 Å²	169.4	87%	0.865	84%	0.841	S	S	*	*			trans	-66.4	110.7	166.7	-95.4	-179.7	172.9	176.2	0	109	R11 K15	R11-K13 PolarHBondContact O-N 2.67Å; K13-K15 PolarHBondContact O-N 3.22Å
14	R	35.6	Very low	36.9	Very low	237 Å²	237	167.1 Å²	167.1	89%	0.894	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-69.9	119.7	165.7	-77.7	-177.5	175.6	170.1	-1.1	108.9	V12	V12-R14 PolarHBondContact O-N 3.12Å
15	K	33.8	Very low	36	Very low	197 Å²	197	166.7 Å²	166.7	86%	0.857	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-73.9	137.3	171	-72	-179.5	177.5	177	0	109.2	K13 V17	K13-K15 PolarHBondContact O-N 3.22Å; K15-V17 PolarHBondContact O-N 3.09Å
16	N	35	Very low	35.3	Very low	163 Å²	163	169 Å²	169	87%	0.872	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-50.5	117.4	177.4	-70.7	-45.5	0	0	0	112.1
17	V	33.8	Very low	34.6	Very low	141 Å²	141	168.5 Å²	168.5	86%	0.855	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-87	117.9	166.4	176.2	0	0	0	0	107.5	K15 Q19	K15-V17 PolarHBondContact O-N 3.09Å; V17-Q19 PolarHBondContact O-N 3.32Å
18	R	36.8	Very low	34.2	Very low	229 Å²	229	174.5 Å²	174.5	86%	0.864	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-62.3	130.9	177.5	-68.8	178.2	176.1	-167.3	-2.1	109.7	M20	R18-M20 PolarHBondContact O-N 2.85Å
19	Q	32.8	Very low	34	Very low	193 Å²	193	174.1 Å²	174.1	90%	0.902	84%	0.839	S	S	*	*			trans	-65.8	108.3	176.1	-149.8	171	2.2	0	0	108.5	V17 R21	V17-Q19 PolarHBondContact O-N 3.32Å; Q19-R21 PolarHBondContact O-N 3.12Å; Q19-R21 VanDerWaalsContact O-N 3.12Å
20	M	31.2	Very low	33.5	Very low	179 Å²	179	177 Å²	177	88%	0.882	85%	0.845	S	S	*	*			trans	-71.3	107.7	170.8	-79.3	-66	-69.7	0	0	108.5	R18 K22	R18-M20 PolarHBondContact O-N 2.85Å; M20-K22 PolarHBondContact O-N 3.5Å
21	R	30.9	Very low	33.2	Very low	216 Å²	216	172.4 Å²	172.4	82%	0.815	84%	0.838	S	S	*	*			trans	-58	116	178.2	-144.1	177.5	-179.3	169.7	0.2	109.4	Q19 H23	Q19-R21 PolarHBondContact O-N 3.12Å; Q19-R21 VanDerWaalsContact O-N 3.12Å; R21-H23 PolarHBondContact O-N 3.34Å
22	K	43.4	Very low	32.8	Very low	205 Å²	205	170.2 Å²	170.2	89%	0.891	84%	0.838	S	S	*	*			trans	-71	115.3	165.1	-84.7	-177.7	174.1	-178.9	0	108.9	M20	M20-K22 PolarHBondContact O-N 3.5Å
23	H	32.3	Very low	32.7	Very low	141 Å²	141	171.5 Å²	171.5	65%	0.653	84%	0.841	S	S	*	*			trans	-144.2	135.2	157.6	-85.3	-89.7	0	0	0	103.7	R21	R21-H23 PolarHBondContact O-N 3.34Å
24	F	28.6	Very low	32.5	Very low	159 Å²	159	167.9 Å²	167.9	70%	0.697	84%	0.841	S	S	*	*			cis	-165	130.7	41.7	-156.3	-95.9	0	0	0	108.8	L26	F24-L26 HydrophobicContact CD1-CD2 4.08Å; F24-L26 HydrophobicContact CD1-CG 3.92Å; F24-L26 HydrophobicContact CE1-CD2 3.82Å; F24-L26 HydrophobicContact CE1-CG 4.17Å
25	C	34.2	Very low	32.7	Very low	126 Å²	126	166 Å²	166	85%	0.851	84%	0.842	S	S	*	*			trans	-81.8	121.2	156.3	-71.3	0	0	0	0	107	S27	C25-S27 PolarHBondContact O-N 3.17Å
26	L	32.5	Very low	32.4	Very low	159 Å²	159	161.4 Å²	161.4	83%	0.832	84%	0.835	S	S	*	*			trans	-77.7	101.9	169.3	-85.3	158.6	0	0	0	108.6	F24	F24-L26 HydrophobicContact CD1-CD2 4.08Å; F24-L26 HydrophobicContact CD1-CG 3.92Å; F24-L26 HydrophobicContact CE1-CD2 3.82Å; F24-L26 HydrophobicContact CE1-CG 4.17Å
27	S	31.1	Very low	32.4	Very low	116 Å²	116	159.5 Å²	159.5	81%	0.811	83%	0.834	S	S	*	*			trans	-79	128.1	162.5	-136	0	0	0	0	108.5	C25	C25-S27 PolarHBondContact O-N 3.17Å
28	R	29.4	Very low	32.2	Very low	249 Å²	249	158.8 Å²	158.8	94%	0.94	83%	0.825	S	S	*	*			trans	-124.4	106.9	162.1	-156	176.9	-175.4	-178	0.5	107.4
29	A	30.3	Very low	31.9	Very low	87 Å²	87	156.7 Å²	156.7	72%	0.719	82%	0.817	S	S	*	*			trans	-98.2	128.1	173.2	0	0	0	0	0	109.3
30	N	29.6	Very low	31.6	Very low	176 Å²	176	157 Å²	157	94%	0.941	82%	0.815	S	S	*	*			trans	-178.4	130.1	131.5	-113	-3.5	0	0	0	110.6
31	G	27.3	Very low	32.1	Very low	71 Å²	71	155.5 Å²	155.5	73%	0.732	81%	0.809	S	S	*	*			trans	141.4	75.2	159.6	0	0	0	0	0	117.5
32	Q	31.6	Very low	32.2	Very low	199 Å²	199	153.5 Å²	153.5	93%	0.93	81%	0.809	S	S	*	*			trans	66.5	139.8	146.5	-72.4	176.8	-26	0	0	122.3
33	D	33.1	Very low	32.1	Very low	160 Å²	160	149.7 Å²	149.7	86%	0.856	81%	0.808	S	S	*	*			trans	-59.5	137	-173.2	-71	-55.8	0	0	0	115.5
34	S	29.9	Very low	32.5	Very low	123 Å²	123	146.5 Å²	146.5	86%	0.86	81%	0.814	S	S	*	*			trans	-153.2	135.8	130.1	-95.9	0	0	0	0	111	S36	S34-S36 PolarHBondContact O-N 2.93Å
35	E	39.1	Very low	33.2	Very low	197 Å²	197	147.8 Å²	147.8	92%	0.921	82%	0.822	S	S	*	*			trans	-54.9	118.4	-170.8	-158.8	179	170.9	0	0	113.1
36	S	26.8	Very low	33.8	Very low	101 Å²	101	153 Å²	153	71%	0.706	82%	0.824	S	S	*	*			trans	-148.2	112.4	152.9	-179.3	0	0	0	0	108.6	S34 L38	S34-S36 PolarHBondContact O-N 2.93Å; S36-L38 PolarHBondContact O-N 3.12Å
37	S	36.4	Very low	34.7	Very low	122 Å²	122	150.6 Å²	150.6	85%	0.853	81%	0.812	S	S	*	*			trans	-34.5	96.8	176.4	39.7	0	0	0	0	113.7
38	L	28.6	Very low	35.8	Very low	126 Å²	126	149.8 Å²	149.8	66%	0.66	80%	0.804	S	S	*	*			trans	-86.2	117.5	175.7	-147.1	68.7	0	0	0	107.8	S36 K40	S36-L38 PolarHBondContact O-N 3.12Å; L38-K40 PolarHBondContact O-N 3.35Å
39	W	29.9	Very low	37.1	Very low	185 Å²	185	139.4 Å²	139.4	70%	0.701	77%	0.769	S	S	*	*			trans	-20.5	86.5	171.8	55.1	-165.3	0	0	0	119.4	I41	W39-I41 VanDerWaalsContact C-N 3.35Å; W39-I41 PolarHBondContact O-N 3.03Å
40	K	28.6	Very low	38.1	Very low	200 Å²	200	143.6 Å²	143.6	87%	0.87	77%	0.771	S	S	*	*			trans	-59.6	96.4	166.6	-110.9	175.3	179.8	173.6	0	110	L38 Q42	L38-K40 PolarHBondContact O-N 3.35Å; K40-Q42 PolarHBondContact O-N 3.23Å; K40-Q42 VanDerWaalsContact O-N 3.14Å
41	I	41.3	Very low	39.5	Very low	147 Å²	147	140 Å²	140	75%	0.754	76%	0.756	S	S	*	*			trans	-72.2	105.6	173.4	-63	176.3	0	0	0	106.7	W39 S43	W39-I41 VanDerWaalsContact C-N 3.35Å; W39-I41 PolarHBondContact O-N 3.03Å; I41-S43 PolarHBondContact O-N 3.34Å
42	Q	31.8	Very low	40.7	Very low	174 Å²	174	146.5 Å²	146.5	81%	0.813	76%	0.764	S	S	*	*			trans	-70.5	122.2	168.3	-66.2	-178.2	27.8	0	0	108.4	K40 G44	K40-Q42 PolarHBondContact O-N 3.23Å; K40-Q42 VanDerWaalsContact O-N 3.14Å; Q42-G44 PolarHBondContact O-N 3.05Å; Q42-G44 VanDerWaalsContact O-N 3.14Å
43	S	42	Very low	41.9	Very low	125 Å²	125	139.2 Å²	139.2	87%	0.874	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	108.3	173.2	54.9	0	0	0	0	109.8	I41	I41-S43 PolarHBondContact O-N 3.34Å
44	G	40.9	Very low	43.2	Very low	75 Å²	75	136.3 Å²	136.3	77%	0.773	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.2	-16.7	173.1	0	0	0	0	0	117.1	Q42	Q42-G44 PolarHBondContact O-N 3.05Å; Q42-G44 VanDerWaalsContact O-N 3.14Å
45	Q	43.3	Very low	44.8	Very low	185 Å²	185	135.3 Å²	135.3	86%	0.864	72%	0.719	S	S	*	*			trans	-91.5	114.1	177.2	-73	-80	-51.7	0	0	109.8	D47	Q45-D47 PolarHBondContact O-N 3.26Å
46	R	45.4	Very low	46.5	Very low	235 Å²	235	128.6 Å²	128.6	89%	0.887	69%	0.692	S	S	*	*			trans	-61.9	120.1	166.8	-97.7	-167.8	-84.6	-149.4	-4.6	107.9	P48	R46-P48 WeakPolarHBondContact O-CD 3.36Å
47	D	52.1	Low	49.4	Very low	110 Å²	110	129.4 Å²	129.4	59%	0.588	69%	0.693	S	S	*	*			trans	-58.8	116.9	175.1	-139.8	-20	0	0	0	109	Q45 C49 F50	Q45-D47 PolarHBondContact O-N 3.26Å; D47-C49 PolarHBondContact O-N 3.44Å; D47-F50 HydrophobicContact CB-CD2 4.29Å; D47-F50 PolarHBondContact O-N 3.07Å
48	P	55	Low	52	Low	98 Å²	98	126.2 Å²	126.2	64%	0.636	67%	0.665	S	S	*	*	G	3₁₀ helix	trans	-56.8	-23.5	-174.5	-23.6	32.3	0	0	0	113.2	R46 F50 T51	R46-P48 WeakPolarHBondContact O-CD 3.36Å; P48-F50 PolarHBondContact O-N 3.25Å; P48-F50 VanDerWaalsContact O-N 3.13Å; P48-T51 PolarHBondContact O-N 2.87Å; P48-T51 PolarHBondContact O-OG1 3.48Å
49	C	56.5	Low	55	Low	31 Å²	31	126 Å²	126	21%	0.209	66%	0.661	C	S	.	*	G	3₁₀ helix	trans	-57.2	-23.5	-176	-169.7	0	0	0	0	114.9	D47 C164	D47-C49 PolarHBondContact O-N 3.44Å; C49-C164 HydrophobicContact CB-CB 4.37Å; C49-C164 VanDerWaalsContact SG-CA 3.56Å; C49-C164 WeakPolarHBondContact SG-CB 3.36Å; C49-C164 PolarHBondContact SG-O 2.99Å
50	F	51.4	Low	58	Low	175 Å²	175	127.9 Å²	127.9	77%	0.768	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-104.9	4.8	-175	-68.3	-80.6	0	0	0	114.5	D47 P48 K52	D47-F50 HydrophobicContact CB-CD2 4.29Å; D47-F50 PolarHBondContact O-N 3.07Å; P48-F50 PolarHBondContact O-N 3.25Å; P48-F50 VanDerWaalsContact O-N 3.13Å; F50-K52 PolarHBondContact O-N 2.91Å
51	T	58.7	Low	61.1	Low	100 Å²	100	123.4 Å²	123.4	61%	0.613	65%	0.65	S	S	*	*	S	Bend	trans	-71.3	127.2	169.5	56.1	0	0	0	0	109.3	P48 M53	P48-T51 PolarHBondContact O-N 2.87Å; P48-T51 PolarHBondContact O-OG1 3.48Å; T51-M53 PolarHBondContact O-N 3.18Å
52	K	51.9	Low	63.8	Low	208 Å²	208	117.4 Å²	117.4	90%	0.904	62%	0.619	S	S	*	*			trans	-55.7	103.1	-179.2	-137.8	-178.5	-172.7	-177.7	0	107.8	F50	F50-K52 PolarHBondContact O-N 2.91Å
53	M	57.8	Low	66.9	Low	47 Å²	47	109.2 Å²	109.2	23%	0.232	58%	0.581	C	S	.	*			trans	-61	126.7	-179.3	-65.2	-162.2	83	0	0	108.6	T51 H104 R166	T51-M53 PolarHBondContact O-N 3.18Å; M53-H104 WeakPolarHBondContact CE-NE2 3.4Å; M53-R166 PolarHBondContact SD-NH1 2.9Å
54	P	59	Low	69.5	Low	98 Å²	98	105.7 Å²	105.7	64%	0.636	56%	0.559	S	S	*	*			trans	-60.2	149.9	178.7	22.7	-30.2	0	0	0	109.9	T56	P54-T56 PolarHBondContact O-N 3.25Å; P54-T56 PolarHBondContact O-OG1 3.38Å
55	A	64.4	Low	72.2	Confident	102 Å²	102	102.3 Å²	102.3	84%	0.843	52%	0.524	S	S	*	.			trans	-51.6	110.3	172.7	0	0	0	0	0	108.2	V57	A55-V57 PolarHBondContact O-N 2.92Å
56	T	75.4	Confident	74.9	Confident	56 Å²	56	93.5 Å²	93.5	34%	0.344	48%	0.482	S	S	.	.			trans	-82.3	107.4	-169.8	-46.1	0	0	0	0	108.1	P54 I58	P54-T56 PolarHBondContact O-N 3.25Å; P54-T56 PolarHBondContact O-OG1 3.38Å; T56-I58 PolarHBondContact O-N 3.46Å
57	V	86.6	Confident	77.4	Confident	119 Å²	119	83 Å²	83	72%	0.721	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-63.7	127.4	173.4	-179.8	0	0	0	0	108.5	A55 K101	A55-V57 PolarHBondContact O-N 2.92Å; V57-K101 PolarHBondContact O-NZ 3.49Å
58	I	91.7	Very high	79.6	Confident	54 Å²	54	85.4 Å²	85.4	28%	0.277	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-87.8	117.6	174.8	-65.5	161.2	0	0	0	107.9	T56 M63 F97 K101 V177 I180	T56-I58 PolarHBondContact O-N 3.46Å; I58-M63 HydrophobicContact CG2-CB 4.43Å; I58-F97 HydrophobicContact CD1-CE1 3.87Å; I58-F97 HydrophobicContact CG1-CE1 4.01Å; I58-F97 HydrophobicContact CG2-CE1 3.71Å; I58-F97 HydrophobicContact CG2-CZ 3.69Å; I58-K101 HydrophobicContact CG1-CD 4.28Å; I58-K101 HydrophobicContact CG1-CG 4.23Å; I58-V177 HydrophobicContact CD1-CG2 4.12Å; I58-I180 HydrophobicContact CB-CD1 3.94Å; I58-I180 HydrophobicContact CD1-CD1 3.66Å; I58-I180 HydrophobicContact CG1-CD1 4.4Å; I58-I180 HydrophobicContact CG2-CD1 3.62Å
59	Q	92.3	Very high	81.6	Confident	121 Å²	121	81.5 Å²	81.5	57%	0.565	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-80.1	146.1	176.5	-57.9	-177.8	7.7	0	0	110.2	Q61 E62 M63	Q59-Q61 PolarHBondContact O-N 3.06Å; Q59-E62 HydrophobicContact CB-CG 4.06Å; Q59-E62 WeakPolarHBondContact CB-OE2 3.4Å; Q59-E62 PolarHBondContact N-OE2 2.84Å; Q59-E62 WeakPolarHBondContact O-CB 3.31Å; Q59-E62 PolarHBondContact O-N 3.18Å; Q59-M63 PolarHBondContact O-N 2.87Å
60	R	91.8	Very high	83.6	Confident	225 Å²	225	80 Å²	80	85%	0.849	41%	0.407	S	S	*	.	H	α-helix	trans	-56.2	-37.8	177.4	-172.5	178	-179.4	126.4	-0.5	112.3	M63 A64	R60-M63 PolarHBondContact O-N 2.66Å; R60-A64 WeakPolarHBondContact O-CB 3.29Å; R60-A64 PolarHBondContact O-N 2.82Å
61	Q	94.4	Very high	85.8	Confident	106 Å²	106	76.8 Å²	76.8	50%	0.495	40%	0.398	S	S	.	.	H	α-helix	trans	-65.6	-37.1	178.3	-176.8	59.3	46.7	0	0	112.4	Q59 A64 S65 I107	Q59-Q61 PolarHBondContact O-N 3.06Å; Q61-A64 PolarHBondContact O-N 2.83Å; Q61-S65 PolarHBondContact NE2-OG 3.28Å; Q61-S65 VanDerWaalsContact O-CB 3.31Å; Q61-S65 WeakPolarHBondContact O-CB 3.23Å; Q61-S65 PolarHBondContact O-N 2.66Å; Q61-S65 PolarHBondContact O-OG 3.28Å; Q61-I107 HydrophobicContact CG-CD1 3.56Å
62	E	96.5	Very high	87.7	Confident	22 Å²	22	74.3 Å²	74.3	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-66.8	-46.6	177.7	-66.3	172.8	124.6	0	0	110.5	Q59 A64 S65 Y66 F97 K101 Y110	Q59-E62 HydrophobicContact CB-CG 4.06Å; Q59-E62 WeakPolarHBondContact CB-OE2 3.4Å; Q59-E62 PolarHBondContact N-OE2 2.84Å; Q59-E62 WeakPolarHBondContact O-CB 3.31Å; Q59-E62 PolarHBondContact O-N 3.18Å; E62-A64 PolarHBondContact O-N 2.92Å; E62-S65 PolarHBondContact O-N 2.73Å; E62-Y66 PolarHBondContact O-N 3.49Å; E62-F97 HydrophobicContact CB-CZ 4.39Å; E62-K101 IonicContact OE1-NZ 3.97Å; E62-K101 PolarHBondContact OE1-NZ 2.91Å; E62-K101 IonicContact OE2-NZ 3.63Å; E62-K101 PolarHBondContact OE2-NZ 2.76Å; E62-Y110 WeakPolarHBondContact O-CE2 3.31Å
63	M	97.3	Very high	89.9	Confident	2 Å²	2	66.2 Å²	66.2	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-60.7	-46.3	175.2	180	52.8	72.1	0	0	111.3	I58 Q59 R60 S65 Y66 L67 F97 V177 I180 V181	I58-M63 HydrophobicContact CG2-CB 4.43Å; Q59-M63 PolarHBondContact O-N 2.87Å; R60-M63 PolarHBondContact O-N 2.66Å; M63-S65 VanDerWaalsContact C-N 3.3Å; M63-S65 PolarHBondContact O-N 3.34Å; M63-Y66 WeakPolarHBondContact O-CB 3.32Å; M63-Y66 PolarHBondContact O-N 3.46Å; M63-Y66 HydrophobicContact SD-CD1 4.49Å; M63-L67 HydrophobicContact CG-CD1 4.01Å; M63-L67 HydrophobicContact CG-CG 4.32Å; M63-L67 WeakPolarHBondContact O-CG 3.4Å; M63-L67 PolarHBondContact O-N 3.19Å; M63-L67 HydrophobicContact SD-CD1 3.95Å; M63-L67 HydrophobicContact SD-CD2 4.13Å; M63-L67 HydrophobicContact SD-CG 3.77Å; M63-F97 HydrophobicContact CE-CD1 3.84Å; M63-F97 HydrophobicContact CE-CE1 3.59Å; M63-F97 HydrophobicContact CE-CG 4.42Å; M63-F97 HydrophobicContact CE-CZ 3.98Å; M63-V177 HydrophobicContact CE-CG1 3.8Å; M63-I180 HydrophobicContact CB-CG2 4.29Å; M63-I180 HydrophobicContact CE-CB 4.21Å; M63-I180 HydrophobicContact CE-CD1 3.79Å; M63-I180 HydrophobicContact CE-CG1 4.49Å; M63-I180 HydrophobicContact CE-CG2 4.5Å; M63-I180 HydrophobicContact CG-CB 4.47Å; M63-I180 HydrophobicContact CG-CG2 3.91Å; M63-V181 HydrophobicContact CG-CG2 3.93Å
64	A	97.4	Very high	91.8	Very high	50 Å²	50	66.6 Å²	66.6	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-40.8	176.6	0	0	0	0	0	112.2	R60 Q61 E62 Y66 L67 R68	R60-A64 WeakPolarHBondContact O-CB 3.29Å; R60-A64 PolarHBondContact O-N 2.82Å; Q61-A64 PolarHBondContact O-N 2.83Å; E62-A64 PolarHBondContact O-N 2.92Å; A64-Y66 VanDerWaalsContact C-N 3.32Å; A64-Y66 PolarHBondContact O-N 3.19Å; A64-L67 PolarHBondContact O-N 2.95Å; A64-R68 WeakPolarHBondContact O-CB 3.37Å; A64-R68 PolarHBondContact O-N 3.42Å
65	S	97.9	Very high	93.6	Very high	5 Å²	5	62 Å²	62	4%	0.035	33%	0.33	C	S	.	.	H	α-helix	trans	-66.5	-35.7	177.6	-55.8	0	0	0	0	111.9	Q61 E62 M63	Q61-S65 PolarHBondContact NE2-OG 3.28Å; Q61-S65 VanDerWaalsContact O-CB 3.31Å; Q61-S65 WeakPolarHBondContact O-CB 3.23Å; Q61-S65 PolarHBondContact O-N 2.66Å; Q61-S65 PolarHBondContact O-OG 3.28Å; E62-S65 PolarHBondContact O-N 2.73Å; M63-S65 VanDerWaalsContact C-N 3.3Å; M63-S65 PolarHBondContact O-N 3.34Å
66	Y	98.6	Very high	95.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-48.5	174.1	-177.9	-108.7	0	0	0	111.9	E62 M63 A64 R68 F69 F70 L93 T96 F97 F100 F115 W187	E62-Y66 PolarHBondContact O-N 3.49Å; M63-Y66 WeakPolarHBondContact O-CB 3.32Å; M63-Y66 PolarHBondContact O-N 3.46Å; M63-Y66 HydrophobicContact SD-CD1 4.49Å; A64-Y66 VanDerWaalsContact C-N 3.32Å; A64-Y66 PolarHBondContact O-N 3.19Å; Y66-R68 PolarHBondContact O-N 2.85Å; Y66-F69 AromaticContact CD2-CD2 3.84Å; Y66-F69 HydrophobicContact CD2-CD2 3.84Å; Y66-F69 HydrophobicContact CD2-CE2 4.03Å; Y66-F69 HydrophobicContact CE2-CD2 4.21Å; Y66-F69 VanDerWaalsContact O-CB 3.31Å; Y66-F69 WeakPolarHBondContact O-CB 3.41Å; Y66-F69 WeakPolarHBondContact O-CD2 3.47Å; Y66-F69 PolarHBondContact O-N 3.09Å; Y66-F70 HydrophobicContact CD1-CE2 4.19Å; Y66-F70 AromaticContact CE1-CE2 3.81Å; Y66-F70 HydrophobicContact CE1-CE2 3.81Å; Y66-F70 AromaticContact CE1-CZ 3.94Å; Y66-F70 HydrophobicContact CE1-CZ 3.94Å; Y66-L93 PolarHBondContact OH-O 2.96Å; Y66-T96 HydrophobicContact CE2-CG2 4.08Å; Y66-T96 WeakPolarHBondContact OH-CB 3.49Å; Y66-F97 HydrophobicContact CD1-CB 3.95Å; Y66-F97 AromaticContact CD1-CD2 3.77Å; Y66-F97 HydrophobicContact CD1-CD2 3.77Å; Y66-F97 HydrophobicContact CD1-CG 4.07Å; Y66-F97 HydrophobicContact CD2-CB 4.28Å; Y66-F97 AromaticContact CD2-CD2 3.73Å; Y66-F97 HydrophobicContact CD2-CD2 3.73Å; Y66-F97 HydrophobicContact CD2-CG 4.47Å; Y66-F97 HydrophobicContact CE1-CB 3.75Å; Y66-F97 HydrophobicContact CE1-CD2 4.41Å; Y66-F97 HydrophobicContact CE1-CG 4.37Å; Y66-F97 HydrophobicContact CE2-CB 4.11Å; Y66-F97 HydrophobicContact CE2-CD2 4.39Å; Y66-F97 HydrophobicContact CG-CB 4.22Å; Y66-F97 AromaticContact CG-CD2 3.39Å; Y66-F97 HydrophobicContact CG-CD2 3.39Å; Y66-F97 HydrophobicContact CG-CE2 4.1Å; Y66-F97 HydrophobicContact CG-CG 4.13Å; Y66-F100 HydrophobicContact CD2-CD2 4.43Å; Y66-F100 HydrophobicContact CD2-CE2 4.44Å; Y66-F115 HydrophobicContact CE2-CD2 4.09Å; Y66-F115 HydrophobicContact CE2-CE2 4.37Å; Y66-W187 HydrophobicContact CE1-CH2 4.3Å
67	L	98.2	Very high	96.2	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.073	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-29.9	-178.9	-67.2	178.6	0	0	0	112.4	M63 A64 F69 F70 V181 H184 V186 W187	M63-L67 HydrophobicContact CG-CD1 4.01Å; M63-L67 HydrophobicContact CG-CG 4.32Å; M63-L67 WeakPolarHBondContact O-CG 3.4Å; M63-L67 PolarHBondContact O-N 3.19Å; M63-L67 HydrophobicContact SD-CD1 3.95Å; M63-L67 HydrophobicContact SD-CD2 4.13Å; M63-L67 HydrophobicContact SD-CG 3.77Å; A64-L67 PolarHBondContact O-N 2.95Å; L67-F69 PolarHBondContact O-N 3.5Å; L67-F69 VanDerWaalsContact O-N 3.12Å; L67-F70 HydrophobicContact CD2-CD2 4.11Å; L67-F70 HydrophobicContact CD2-CE2 4.01Å; L67-F70 WeakPolarHBondContact O-CB 3.45Å; L67-F70 VanDerWaalsContact O-CD2 3.23Å; L67-F70 WeakPolarHBondContact O-CD2 3.41Å; L67-F70 PolarHBondContact O-N 3.47Å; L67-V181 HydrophobicContact CD1-CB 3.92Å; L67-V181 HydrophobicContact CD1-CG1 4.13Å; L67-V181 HydrophobicContact CD1-CG2 3.87Å; L67-H184 HydrophobicContact CD1-CB 4.37Å; L67-H184 HydrophobicContact CD2-CB 4.37Å; L67-V186 HydrophobicContact CD2-CG2 4.36Å; L67-W187 HydrophobicContact CD2-CZ2 3.84Å
68	R	98.1	Very high	96.7	Very high	161 Å²	161	55.7 Å²	55.7	61%	0.608	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-60.2	-20	174.3	-169	173.5	63.2	-178.9	0	113.9	A64 Y66 F70 D71	A64-R68 WeakPolarHBondContact O-CB 3.37Å; A64-R68 PolarHBondContact O-N 3.42Å; Y66-R68 PolarHBondContact O-N 2.85Å; R68-F70 PolarHBondContact O-N 2.86Å; R68-D71 PolarHBondContact O-N 3.23Å; R68-D71 VanDerWaalsContact O-N 3.17Å
69	F	98.5	Very high	97	Very high	15 Å²	15	53.3 Å²	53.3	7%	0.066	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-58.5	-31.2	170.4	-77.5	-55.1	0	0	0	112.4	Y66 L67 D71 D72 I75 F100 Y110 S111 F115	Y66-F69 AromaticContact CD2-CD2 3.84Å; Y66-F69 HydrophobicContact CD2-CD2 3.84Å; Y66-F69 HydrophobicContact CD2-CE2 4.03Å; Y66-F69 HydrophobicContact CE2-CD2 4.21Å; Y66-F69 VanDerWaalsContact O-CB 3.31Å; Y66-F69 WeakPolarHBondContact O-CB 3.41Å; Y66-F69 WeakPolarHBondContact O-CD2 3.47Å; Y66-F69 PolarHBondContact O-N 3.09Å; L67-F69 PolarHBondContact O-N 3.5Å; L67-F69 VanDerWaalsContact O-N 3.12Å; F69-D71 PolarHBondContact O-N 2.96Å; F69-D72 VanDerWaalsContact O-CB 3.29Å; F69-D72 WeakPolarHBondContact O-CB 3.48Å; F69-D72 PolarHBondContact O-N 3.47Å; F69-D72 VanDerWaalsContact O-N 3.12Å; F69-I75 HydrophobicContact CB-CD1 3.71Å; F69-I75 HydrophobicContact CD1-CD1 3.72Å; F69-I75 HydrophobicContact CG-CD1 4.03Å; F69-I75 WeakPolarHBondContact O-CB 3.35Å; F69-I75 WeakPolarHBondContact O-CD1 3.46Å; F69-I75 WeakPolarHBondContact O-CG2 3.45Å; F69-F100 AromaticContact CE2-CE2 3.75Å; F69-F100 HydrophobicContact CE2-CE2 3.75Å; F69-F100 HydrophobicContact CE2-CZ 4.14Å; F69-F100 HydrophobicContact CZ-CE2 4.18Å; F69-F100 HydrophobicContact CZ-CZ 4.43Å; F69-Y110 HydrophobicContact CE2-CD2 4.41Å; F69-Y110 WeakPolarHBondContact CZ-O 3.5Å; F69-S111 WeakPolarHBondContact CZ-O 3.19Å; F69-F115 HydrophobicContact CD2-CB 4.47Å; F69-F115 HydrophobicContact CD2-CD2 4.13Å; F69-F115 HydrophobicContact CE1-CB 4.36Å; F69-F115 HydrophobicContact CE2-CB 4.22Å; F69-F115 HydrophobicContact CG-CD2 4.44Å; F69-F115 HydrophobicContact CZ-CB 4.14Å
70	F	98.3	Very high	97.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-81.6	-1.1	-177.1	-52.5	-62.8	0	0	0	113.2	Y66 L67 R68 I75 Q76 L79 L93 F115 H184 F185 V186	Y66-F70 HydrophobicContact CD1-CE2 4.19Å; Y66-F70 AromaticContact CE1-CE2 3.81Å; Y66-F70 HydrophobicContact CE1-CE2 3.81Å; Y66-F70 AromaticContact CE1-CZ 3.94Å; Y66-F70 HydrophobicContact CE1-CZ 3.94Å; L67-F70 HydrophobicContact CD2-CD2 4.11Å; L67-F70 HydrophobicContact CD2-CE2 4.01Å; L67-F70 WeakPolarHBondContact O-CB 3.45Å; L67-F70 VanDerWaalsContact O-CD2 3.23Å; L67-F70 WeakPolarHBondContact O-CD2 3.41Å; L67-F70 PolarHBondContact O-N 3.47Å; R68-F70 PolarHBondContact O-N 2.86Å; F70-I75 HydrophobicContact CD1-CG2 4.03Å; F70-I75 HydrophobicContact CE1-CG2 4.5Å; F70-Q76 WeakPolarHBondContact O-CG 3.1Å; F70-Q76 PolarHBondContact O-NE2 3.12Å; F70-L79 HydrophobicContact CD1-CD1 3.73Å; F70-L79 HydrophobicContact CE1-CD1 4.26Å; F70-L93 HydrophobicContact CE1-CD1 4.16Å; F70-L93 HydrophobicContact CE1-CD2 4Å; F70-L93 HydrophobicContact CZ-CD1 4.32Å; F70-L93 HydrophobicContact CZ-CD2 4.18Å; F70-F115 HydrophobicContact CE1-CE2 4.11Å; F70-F115 HydrophobicContact CE1-CZ 4.18Å; F70-F115 HydrophobicContact CZ-CE2 4.24Å; F70-H184 AromaticContact CD2-CE1 3.61Å; F70-F185 HydrophobicContact CB-CE1 3.89Å; F70-F185 HydrophobicContact CB-CZ 3.79Å; F70-V186 HydrophobicContact CB-CG1 4Å; F70-V186 HydrophobicContact CD1-CG1 3.63Å; F70-V186 HydrophobicContact CD2-CG1 3.66Å; F70-V186 HydrophobicContact CD2-CG2 4.21Å; F70-V186 HydrophobicContact CE1-CG1 3.92Å; F70-V186 HydrophobicContact CE2-CB 4.44Å; F70-V186 HydrophobicContact CE2-CG1 3.99Å; F70-V186 HydrophobicContact CE2-CG2 3.98Å; F70-V186 HydrophobicContact CG-CG1 3.47Å; F70-V186 VanDerWaalsContact CG-CG1 3.47Å; F70-V186 HydrophobicContact CZ-CG1 4.1Å; F70-V186 HydrophobicContact CZ-CG2 4.39Å
71	D	97.7	Very high	97.2	Very high	108 Å²	108	45.7 Å²	45.7	58%	0.578	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-94.2	-11.3	166.6	-56.5	-39.9	0	0	0	112	R68 F69 G73	R68-D71 PolarHBondContact O-N 3.23Å; R68-D71 VanDerWaalsContact O-N 3.17Å; F69-D71 PolarHBondContact O-N 2.96Å; D71-G73 PolarHBondContact O-N 2.96Å
72	D	98.2	Very high	97.1	Very high	47 Å²	47	41 Å²	41	25%	0.251	21%	0.207	S	C	.	.	S	Bend	trans	-72.9	125.7	176.5	-178.8	-85.7	0	0	0	110.4	F69 L74 I75 Q76 R112	F69-D72 VanDerWaalsContact O-CB 3.29Å; F69-D72 WeakPolarHBondContact O-CB 3.48Å; F69-D72 PolarHBondContact O-N 3.47Å; F69-D72 VanDerWaalsContact O-N 3.12Å; D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 3.24Å; D72-L74 VanDerWaalsContact OD1-CB 3.32Å; D72-L74 WeakPolarHBondContact OD1-CB 3.4Å; D72-L74 PolarHBondContact OD1-N 2.97Å; D72-I75 HydrophobicContact CB-CB 4.26Å; D72-I75 HydrophobicContact CB-CD1 4.35Å; D72-I75 HydrophobicContact CB-CG1 4.31Å; D72-I75 PolarHBondContact O-N 3.25Å; D72-I75 VanDerWaalsContact O-N 3.09Å; D72-I75 PolarHBondContact OD1-N 2.94Å; D72-Q76 WeakPolarHBondContact O-CG 3.08Å; D72-Q76 PolarHBondContact O-N 2.94Å; D72-R112 IonicContact OD1-NH1 3.28Å; D72-R112 PolarHBondContact OD1-NH1 3.32Å; D72-R112 IonicContact OD2-CZ 3.95Å; D72-R112 IonicContact OD2-NE 3.89Å; D72-R112 IonicContact OD2-NH1 3.65Å; D72-R112 PolarHBondContact OD2-NH1 3.36Å
73	G	97.7	Very high	96.9	Very high	39 Å²	39	41.9 Å²	41.9	40%	0.402	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-37.5	-175.6	0	0	0	0	0	114.1	D71 Q76 D77	D71-G73 PolarHBondContact O-N 2.96Å; G73-Q76 PolarHBondContact O-N 3.48Å; G73-D77 WeakPolarHBondContact O-CB 3.48Å; G73-D77 VanDerWaalsContact O-CG 3.3Å; G73-D77 PolarHBondContact O-N 3.37Å
74	L	97.3	Very high	96.7	Very high	55 Å²	55	42.5 Å²	42.5	29%	0.288	22%	0.22	S	C	.	.	H	α-helix	trans	-68.9	-40.4	178.7	-178.8	155.3	0	0	0	111	D72 D77 F78 F116 W139	D72-L74 VanDerWaalsContact C-N 3.29Å; D72-L74 PolarHBondContact O-N 3.24Å; D72-L74 VanDerWaalsContact OD1-CB 3.32Å; D72-L74 WeakPolarHBondContact OD1-CB 3.4Å; D72-L74 PolarHBondContact OD1-N 2.97Å; L74-D77 PolarHBondContact O-N 3.29Å; L74-F78 WeakPolarHBondContact O-CB 3.38Å; L74-F78 PolarHBondContact O-N 3.24Å; L74-F116 HydrophobicContact CD2-CE2 3.69Å; L74-F116 HydrophobicContact CD2-CZ 3.61Å; L74-W139 HydrophobicContact CD2-CE3 4.18Å; L74-W139 HydrophobicContact CG-CE3 4.23Å
75	I	98.1	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.2	-40	176.6	-65.9	-178.9	0	0	0	110.6	F69 F70 D72 D77 F78 L79 R112 F115 F116	F69-I75 HydrophobicContact CB-CD1 3.71Å; F69-I75 HydrophobicContact CD1-CD1 3.72Å; F69-I75 HydrophobicContact CG-CD1 4.03Å; F69-I75 WeakPolarHBondContact O-CB 3.35Å; F69-I75 WeakPolarHBondContact O-CD1 3.46Å; F69-I75 WeakPolarHBondContact O-CG2 3.45Å; F70-I75 HydrophobicContact CD1-CG2 4.03Å; F70-I75 HydrophobicContact CE1-CG2 4.5Å; D72-I75 HydrophobicContact CB-CB 4.26Å; D72-I75 HydrophobicContact CB-CD1 4.35Å; D72-I75 HydrophobicContact CB-CG1 4.31Å; D72-I75 PolarHBondContact O-N 3.25Å; D72-I75 VanDerWaalsContact O-N 3.09Å; D72-I75 PolarHBondContact OD1-N 2.94Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 3.09Å; I75-F78 WeakPolarHBondContact O-CB 3.42Å; I75-F78 PolarHBondContact O-N 3.12Å; I75-L79 HydrophobicContact CG2-CG 4.37Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.42Å; I75-R112 HydrophobicContact CD1-CG 4.13Å; I75-F115 HydrophobicContact CD1-CD1 3.91Å; I75-F115 HydrophobicContact CD1-CE1 4.14Å; I75-F115 HydrophobicContact CD1-CG 4.35Å; I75-F115 HydrophobicContact CG1-CD1 4.49Å; I75-F115 HydrophobicContact CG1-CE1 4.42Å; I75-F115 HydrophobicContact CG2-CE1 4.22Å; I75-F115 HydrophobicContact CG2-CZ 4.34Å; I75-F116 HydrophobicContact CG1-CZ 4.36Å
76	Q	97.8	Very high	96.4	Very high	71 Å²	71	45.2 Å²	45.2	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-60	-43.9	174.6	-73.5	-173.3	-8.8	0	0	112.1	F70 D72 G73 L79 R80	F70-Q76 WeakPolarHBondContact O-CG 3.1Å; F70-Q76 PolarHBondContact O-NE2 3.12Å; D72-Q76 WeakPolarHBondContact O-CG 3.08Å; D72-Q76 PolarHBondContact O-N 2.94Å; G73-Q76 PolarHBondContact O-N 3.48Å; Q76-L79 PolarHBondContact O-N 3.16Å; Q76-R80 WeakPolarHBondContact O-CB 3.46Å; Q76-R80 PolarHBondContact O-N 2.9Å
77	D	96.7	Very high	96.2	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	22%	0.224	S	C	.	.	H	α-helix	trans	-65.7	-39.4	176.6	-72.5	-22	0	0	0	111.6	G73 L74 I75 R80 M81 W139	G73-D77 WeakPolarHBondContact O-CB 3.48Å; G73-D77 VanDerWaalsContact O-CG 3.3Å; G73-D77 PolarHBondContact O-N 3.37Å; L74-D77 PolarHBondContact O-N 3.29Å; I75-D77 VanDerWaalsContact C-N 3.34Å; I75-D77 PolarHBondContact O-N 3.09Å; D77-R80 PolarHBondContact O-N 3.29Å; D77-R80 IonicContact OD1-CZ 3.9Å; D77-R80 IonicContact OD1-NH1 3.35Å; D77-R80 PolarHBondContact OD1-NH1 2.79Å; D77-M81 WeakPolarHBondContact O-CB 3.37Å; D77-M81 VanDerWaalsContact O-CG 3.29Å; D77-M81 WeakPolarHBondContact O-CG 3.47Å; D77-M81 PolarHBondContact O-N 3.49Å; D77-W139 HydrophobicContact CB-CH2 3.98Å; D77-W139 HydrophobicContact CB-CZ3 3.71Å
78	F	97.3	Very high	96.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-45.9	172.8	173.1	-111.1	0	0	0	112	L74 I75 R80 M81 D82 M87 T88 F116 L119 I136 W139	L74-F78 WeakPolarHBondContact O-CB 3.38Å; L74-F78 PolarHBondContact O-N 3.24Å; I75-F78 WeakPolarHBondContact O-CB 3.42Å; I75-F78 PolarHBondContact O-N 3.12Å; F78-R80 VanDerWaalsContact C-N 3.29Å; F78-R80 PolarHBondContact O-N 3.09Å; F78-M81 WeakPolarHBondContact O-CB 3.35Å; F78-M81 PolarHBondContact O-N 3.36Å; F78-D82 PolarHBondContact O-N 2.75Å; F78-M87 HydrophobicContact CE2-CE 4.33Å; F78-T88 HydrophobicContact CD1-CG2 4.08Å; F78-T88 HydrophobicContact CE1-CG2 3.3Å; F78-T88 HydrophobicContact CZ-CG2 3.77Å; F78-F116 AromaticContact CD1-CE1 3.73Å; F78-F116 HydrophobicContact CD1-CE1 3.73Å; F78-F116 HydrophobicContact CD1-CZ 4.44Å; F78-F116 HydrophobicContact CD2-CE1 4.31Å; F78-F116 HydrophobicContact CE1-CD1 4.5Å; F78-F116 AromaticContact CE1-CE1 3.89Å; F78-F116 HydrophobicContact CE1-CE1 3.89Å; F78-F116 HydrophobicContact CE2-CE1 4.46Å; F78-F116 AromaticContact CG-CE1 3.94Å; F78-F116 HydrophobicContact CG-CE1 3.94Å; F78-F116 HydrophobicContact CG-CZ 4.41Å; F78-F116 HydrophobicContact CZ-CE1 4.28Å; F78-L119 HydrophobicContact CE1-CD2 3.53Å; F78-L119 HydrophobicContact CZ-CD2 3.97Å; F78-I136 HydrophobicContact CE2-CG1 4.21Å; F78-I136 HydrophobicContact CZ-CG1 3.88Å; F78-W139 HydrophobicContact CB-CD2 3.8Å; F78-W139 HydrophobicContact CB-CE3 3.57Å; F78-W139 HydrophobicContact CB-CG 4.39Å; F78-W139 HydrophobicContact CB-CH2 4.4Å; F78-W139 HydrophobicContact CB-CZ3 3.9Å; F78-W139 HydrophobicContact CD2-CB 4.27Å; F78-W139 AromaticContact CD2-CD1 3.77Å; F78-W139 AromaticContact CD2-CD2 3.68Å; F78-W139 HydrophobicContact CD2-CD2 3.68Å; F78-W139 AromaticContact CD2-CE2 3.84Å; F78-W139 HydrophobicContact CD2-CE3 4.36Å; F78-W139 AromaticContact CD2-CG 3.62Å; F78-W139 HydrophobicContact CD2-CG 3.62Å; F78-W139 AromaticContact CD2-NE1 3.82Å; F78-W139 HydrophobicContact CE2-CG 4.36Å; F78-W139 HydrophobicContact CG-CD2 4.17Å; F78-W139 HydrophobicContact CG-CE3 4.41Å; F78-W139 HydrophobicContact CG-CG 4.34Å; F78-W139 VanDerWaalsContact N-CZ3 3.26Å
79	L	96.6	Very high	96.1	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-35	175.1	-70.6	-170.2	0	0	0	112.3	F70 I75 Q76 M81 T88 L93 F185 V186 R189	F70-L79 HydrophobicContact CD1-CD1 3.73Å; F70-L79 HydrophobicContact CE1-CD1 4.26Å; I75-L79 HydrophobicContact CG2-CG 4.37Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.42Å; Q76-L79 PolarHBondContact O-N 3.16Å; L79-M81 VanDerWaalsContact C-N 3.34Å; L79-T88 HydrophobicContact CD2-CG2 3.73Å; L79-L93 HydrophobicContact CD2-CD1 4.42Å; L79-F185 HydrophobicContact CD1-CE2 4.25Å; L79-F185 HydrophobicContact CD1-CZ 4.4Å; L79-V186 HydrophobicContact CD1-CG1 4.32Å; L79-R189 PolarHBondContact O-NH2 3.21Å
80	R	94.3	Very high	96.1	Very high	153 Å²	153	39.3 Å²	39.3	58%	0.577	20%	0.2	S	C	*	.	H	α-helix	trans	-70.3	-34.3	176.8	-169.9	-176.2	-63.8	126.5	5	111.7	Q76 D77 F78 D82	Q76-R80 WeakPolarHBondContact O-CB 3.46Å; Q76-R80 PolarHBondContact O-N 2.9Å; D77-R80 PolarHBondContact O-N 3.29Å; D77-R80 IonicContact OD1-CZ 3.9Å; D77-R80 IonicContact OD1-NH1 3.35Å; D77-R80 PolarHBondContact OD1-NH1 2.79Å; F78-R80 VanDerWaalsContact C-N 3.29Å; F78-R80 PolarHBondContact O-N 3.09Å; R80-D82 VanDerWaalsContact C-N 3.34Å
81	M	93.8	Very high	96.1	Very high	32 Å²	32	41.9 Å²	41.9	16%	0.158	21%	0.21	C	C	.	.	H	α-helix	trans	-67.1	-36.3	178.3	-79.1	-76	-59.6	0	0	112.6	D77 F78 L79 C83 W139 A216 S217 P218	D77-M81 WeakPolarHBondContact O-CB 3.37Å; D77-M81 VanDerWaalsContact O-CG 3.29Å; D77-M81 WeakPolarHBondContact O-CG 3.47Å; D77-M81 PolarHBondContact O-N 3.49Å; F78-M81 WeakPolarHBondContact O-CB 3.35Å; F78-M81 PolarHBondContact O-N 3.36Å; L79-M81 VanDerWaalsContact C-N 3.34Å; M81-C83 PolarHBondContact O-N 3.41Å; M81-W139 HydrophobicContact CB-CH2 4.32Å; M81-W139 HydrophobicContact CB-CZ2 3.86Å; M81-W139 HydrophobicContact CE-CZ2 4.42Å; M81-W139 HydrophobicContact CG-CH2 3.68Å; M81-W139 HydrophobicContact CG-CZ2 3.49Å; M81-W139 VanDerWaalsContact CG-CZ2 3.49Å; M81-A216 HydrophobicContact CE-CB 4.38Å; M81-A216 WeakPolarHBondContact CE-O 3.36Å; M81-S217 VanDerWaalsContact SD-C 3.54Å; M81-P218 HydrophobicContact CG-CG 4.4Å; M81-P218 VanDerWaalsContact SD-CA 3.52Å; M81-P218 HydrophobicContact SD-CB 4.02Å; M81-P218 WeakPolarHBondContact SD-CD 3.27Å; M81-P218 HydrophobicContact SD-CG 3.58Å; M81-P218 VanDerWaalsContact SD-CG 3.58Å
82	D	94	Very high	96.1	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.043	18%	0.182	C	C	.	.			trans	-82.7	66.5	169.9	-174.2	21.8	0	0	0	111.8	F78 R80 C84 Y85 K86 M87 T88 R189	F78-D82 PolarHBondContact O-N 2.75Å; R80-D82 VanDerWaalsContact C-N 3.34Å; D82-C84 PolarHBondContact O-N 2.95Å; D82-Y85 VanDerWaalsContact O-CD1 3.29Å; D82-Y85 WeakPolarHBondContact O-CD1 3.19Å; D82-Y85 PolarHBondContact O-N 3.39Å; D82-Y85 VanDerWaalsContact O-N 3.15Å; D82-Y85 PolarHBondContact OD1-N 3.44Å; D82-Y85 VanDerWaalsContact OD2-CA 3.28Å; D82-Y85 WeakPolarHBondContact OD2-CA 3.49Å; D82-K86 PolarHBondContact OD1-N 3.2Å; D82-K86 PolarHBondContact OD2-N 3.39Å; D82-K86 VanDerWaalsContact OD2-N 3.12Å; D82-M87 HydrophobicContact CB-CE 4.06Å; D82-M87 WeakPolarHBondContact OD2-CA 3.48Å; D82-M87 PolarHBondContact OD2-N 3.09Å; D82-T88 HydrophobicContact CB-CG2 4.37Å; D82-T88 WeakPolarHBondContact CB-OG1 3.31Å; D82-T88 WeakPolarHBondContact OD2-CB 3.14Å; D82-T88 PolarHBondContact OD2-N 2.95Å; D82-T88 PolarHBondContact OD2-OG1 3.38Å; D82-R189 PolarHBondContact O-NH2 3.11Å
83	C	91.2	Very high	96.2	Very high	41 Å²	41	34.6 Å²	34.6	28%	0.277	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.4	-176.7	68.1	0	0	0	0	114.2	M81 V219	M81-C83 PolarHBondContact O-N 3.41Å; C83-V219 PolarHBondContact SG-O 2.77Å
84	C	93	Very high	96.2	Very high	14 Å²	14	32.7 Å²	32.7	10%	0.095	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-4.6	179.8	-64.6	0	0	0	0	113.4	D82 K86 H195 C221 C224	D82-C84 PolarHBondContact O-N 2.95Å; C84-K86 VanDerWaalsContact C-N 3.29Å; C84-K86 HydrophobicContact CB-CG 4.06Å; C84-K86 PolarHBondContact O-N 3.33Å; C84-H195 PolarHBondContact SG-NE2 3.21Å; C84-C221 WeakPolarHBondContact SG-CB 3.43Å; C84-C224 VanDerWaalsContact SG-SG 3.67Å
85	Y	94.8	Very high	96.3	Very high	70 Å²	70	30.3 Å²	30.3	28%	0.275	14%	0.139	S	C	.	.			trans	58.2	39.9	-176.2	-43.3	-39.2	0	0	0	112.6	D82 D89 R189 Q190 R191	D82-Y85 VanDerWaalsContact O-CD1 3.29Å; D82-Y85 WeakPolarHBondContact O-CD1 3.19Å; D82-Y85 PolarHBondContact O-N 3.39Å; D82-Y85 VanDerWaalsContact O-N 3.15Å; D82-Y85 PolarHBondContact OD1-N 3.44Å; D82-Y85 VanDerWaalsContact OD2-CA 3.28Å; D82-Y85 WeakPolarHBondContact OD2-CA 3.49Å; Y85-D89 WeakPolarHBondContact O-CB 3.34Å; Y85-R189 HydrophobicContact CD1-CB 4.2Å; Y85-R189 HydrophobicContact CD1-CG 4.47Å; Y85-R189 HydrophobicContact CD2-CB 4.21Å; Y85-R189 HydrophobicContact CE1-CB 4.37Å; Y85-R189 HydrophobicContact CE1-CG 4.27Å; Y85-R189 VanDerWaalsContact CE1-NH1 3.35Å; Y85-R189 HydrophobicContact CE2-CB 4.36Å; Y85-R189 HydrophobicContact CG-CB 4.11Å; Y85-Q190 WeakPolarHBondContact CD2-O 2.9Å; Y85-R191 PolarHBondContact O-NE 3.28Å; Y85-R191 PolarHBondContact O-NH2 2.91Å
86	K	93.4	Very high	96.3	Very high	42 Å²	42	30.3 Å²	30.3	18%	0.183	14%	0.139	C	C	.	.	S	Bend	trans	-75.6	-30.5	177.5	-76.5	-175.1	159.2	-145.4	0	112.7	D82 C84 E129 R191	D82-K86 PolarHBondContact OD1-N 3.2Å; D82-K86 PolarHBondContact OD2-N 3.39Å; D82-K86 VanDerWaalsContact OD2-N 3.12Å; C84-K86 VanDerWaalsContact C-N 3.29Å; C84-K86 HydrophobicContact CB-CG 4.06Å; C84-K86 PolarHBondContact O-N 3.33Å; K86-E129 IonicContact NZ-OE1 3.69Å; K86-E129 PolarHBondContact NZ-OE1 2.85Å; K86-E129 IonicContact NZ-OE2 2.78Å; K86-E129 PolarHBondContact NZ-OE2 2.84Å; K86-R191 PolarHBondContact O-NH2 3.07Å
87	M	95.1	Very high	96.4	Very high	15 Å²	15	27 Å²	27	7%	0.074	12%	0.123	C	C	.	.	S	Bend	trans	-114	-16.1	-178.9	-61.9	177.2	-77.6	0	0	113.4	F78 D82 L92 L119 N123 E135 I136	F78-M87 HydrophobicContact CE2-CE 4.33Å; D82-M87 HydrophobicContact CB-CE 4.06Å; D82-M87 WeakPolarHBondContact OD2-CA 3.48Å; D82-M87 PolarHBondContact OD2-N 3.09Å; M87-L92 VanDerWaalsContact C-CD1 3.42Å; M87-L92 VanDerWaalsContact O-CD1 3.31Å; M87-L92 WeakPolarHBondContact O-CD1 3.31Å; M87-L119 WeakPolarHBondContact O-CD1 3.49Å; M87-N123 VanDerWaalsContact CA-OD1 3.26Å; M87-N123 WeakPolarHBondContact CA-OD1 2.88Å; M87-N123 PolarHBondContact O-ND2 2.89Å; M87-N123 VanDerWaalsContact O-ND2 3.09Å; M87-E135 HydrophobicContact CE-CB 3.73Å; M87-E135 HydrophobicContact CE-CG 4.36Å; M87-E135 HydrophobicContact SD-CB 3.78Å; M87-I136 HydrophobicContact SD-CG1 4.31Å
88	T	97.3	Very high	96.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-136.3	29.8	-166	63.6	0	0	0	0	112.4	F78 L79 D82 L93 L119 R189	F78-T88 HydrophobicContact CD1-CG2 4.08Å; F78-T88 HydrophobicContact CE1-CG2 3.3Å; F78-T88 HydrophobicContact CZ-CG2 3.77Å; L79-T88 HydrophobicContact CD2-CG2 3.73Å; D82-T88 HydrophobicContact CB-CG2 4.37Å; D82-T88 WeakPolarHBondContact CB-OG1 3.31Å; D82-T88 WeakPolarHBondContact OD2-CB 3.14Å; D82-T88 PolarHBondContact OD2-N 2.95Å; D82-T88 PolarHBondContact OD2-OG1 3.38Å; T88-L93 WeakPolarHBondContact O-CD1 3.29Å; T88-L119 HydrophobicContact CG2-CD2 4.11Å; T88-R189 PolarHBondContact O-NE 3.25Å; T88-R189 PolarHBondContact OG1-NH2 3.09Å
89	D	97.2	Very high	96.5	Very high	13 Å²	13	23.9 Å²	23.9	7%	0.07	11%	0.107	C	C	.	.			trans	-65	165	167.7	73.8	83.3	0	0	0	111.3	Y85 Y91 L92 L93 R189 R191	Y85-D89 WeakPolarHBondContact O-CB 3.34Å; D89-Y91 PolarHBondContact O-N 3.44Å; D89-Y91 WeakPolarHBondContact OD1-CA 3.33Å; D89-Y91 VanDerWaalsContact OD1-CB 3.3Å; D89-Y91 WeakPolarHBondContact OD1-CB 3.49Å; D89-Y91 PolarHBondContact OD1-N 3.29Å; D89-L92 PolarHBondContact O-N 3.26Å; D89-L92 PolarHBondContact OD1-N 2.92Å; D89-L92 WeakPolarHBondContact OD2-CD1 3.33Å; D89-L92 WeakPolarHBondContact OD2-CG 3.37Å; D89-L93 WeakPolarHBondContact O-CG 3.45Å; D89-L93 PolarHBondContact O-N 2.62Å; D89-R189 WeakPolarHBondContact CA-O 3.38Å; D89-R189 WeakPolarHBondContact CB-O 3.31Å; D89-R191 HydrophobicContact CB-CB 4.3Å; D89-R191 IonicContact OD2-CZ 3.56Å; D89-R191 IonicContact OD2-NE 3.34Å; D89-R191 IonicContact OD2-NH2 2.73Å; D89-R191 PolarHBondContact OD2-NH2 3.12Å
90	K	98.4	Very high	96.6	Very high	39 Å²	39	23.6 Å²	23.6	17%	0.17	11%	0.106	C	C	.	.	H	α-helix	trans	-56.3	-32.7	-175.7	69.6	-174.1	-167.1	-169.9	0	114.1	A94 M178 W187 R189	K90-A94 VanDerWaalsContact O-CB 3.32Å; K90-A94 WeakPolarHBondContact O-CB 3.39Å; K90-A94 PolarHBondContact O-N 3.24Å; K90-M178 HydrophobicContact CB-SD 3.94Å; K90-M178 HydrophobicContact CD-SD 3.91Å; K90-M178 HydrophobicContact CG-SD 3.88Å; K90-W187 HydrophobicContact CB-CE3 4.25Å; K90-W187 WeakPolarHBondContact CD-O 3.38Å; K90-R189 PolarHBondContact N-O 3.09Å
91	Y	98.4	Very high	96.7	Very high	54 Å²	54	17.4 Å²	17.4	21%	0.212	8%	0.083	C	C	.	.	H	α-helix	trans	-76.1	-43.6	-179.9	-69.1	-76.6	0	0	0	111.2	D89 L93 A94 M95 K171 C174 E175 M178	D89-Y91 PolarHBondContact O-N 3.44Å; D89-Y91 WeakPolarHBondContact OD1-CA 3.33Å; D89-Y91 VanDerWaalsContact OD1-CB 3.3Å; D89-Y91 WeakPolarHBondContact OD1-CB 3.49Å; D89-Y91 PolarHBondContact OD1-N 3.29Å; Y91-L93 VanDerWaalsContact C-N 3.3Å; Y91-L93 PolarHBondContact O-N 3.49Å; Y91-A94 PolarHBondContact O-N 2.91Å; Y91-A94 VanDerWaalsContact O-N 3.13Å; Y91-M95 VanDerWaalsContact O-CG 3.27Å; Y91-M95 WeakPolarHBondContact O-CG 3.31Å; Y91-M95 PolarHBondContact O-N 3.43Å; Y91-K171 HydrophobicContact CE1-CG 3.89Å; Y91-K171 WeakPolarHBondContact OH-CE 3.31Å; Y91-C174 HydrophobicContact CD1-CB 3.67Å; Y91-C174 HydrophobicContact CE1-CB 4.2Å; Y91-E175 HydrophobicContact CE1-CG 4.22Å; Y91-E175 PolarHBondContact OH-OE1 3.24Å; Y91-M178 HydrophobicContact CD1-CE 3.91Å; Y91-M178 HydrophobicContact CE1-CE 3.52Å
92	L	98.5	Very high	96.9	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-60.6	-40.3	173.1	-69.9	175	0	0	0	111.9	M87 D89 M95 T96 L119 A122 E126 E127	M87-L92 VanDerWaalsContact C-CD1 3.42Å; M87-L92 VanDerWaalsContact O-CD1 3.31Å; M87-L92 WeakPolarHBondContact O-CD1 3.31Å; D89-L92 PolarHBondContact O-N 3.26Å; D89-L92 PolarHBondContact OD1-N 2.92Å; D89-L92 WeakPolarHBondContact OD2-CD1 3.33Å; D89-L92 WeakPolarHBondContact OD2-CG 3.37Å; L92-M95 HydrophobicContact CD2-SD 4.44Å; L92-M95 PolarHBondContact O-N 3.13Å; L92-T96 PolarHBondContact O-N 2.99Å; L92-T96 PolarHBondContact O-OG1 2.86Å; L92-L119 HydrophobicContact CB-CD1 4.24Å; L92-A122 HydrophobicContact CD2-CB 3.96Å; L92-E126 HydrophobicContact CD2-CB 4.07Å; L92-E127 HydrophobicContact CD1-CG 4.35Å
93	L	98.8	Very high	97.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.9	-34.9	174.4	-65.9	178.5	0	0	0	112.3	Y66 F70 L79 T88 D89 Y91 F97 F115 L119 V186 W187	Y66-L93 PolarHBondContact OH-O 2.96Å; F70-L93 HydrophobicContact CE1-CD1 4.16Å; F70-L93 HydrophobicContact CE1-CD2 4Å; F70-L93 HydrophobicContact CZ-CD1 4.32Å; F70-L93 HydrophobicContact CZ-CD2 4.18Å; L79-L93 HydrophobicContact CD2-CD1 4.42Å; T88-L93 WeakPolarHBondContact O-CD1 3.29Å; D89-L93 WeakPolarHBondContact O-CG 3.45Å; D89-L93 PolarHBondContact O-N 2.62Å; Y91-L93 VanDerWaalsContact C-N 3.3Å; Y91-L93 PolarHBondContact O-N 3.49Å; L93-F97 PolarHBondContact O-N 3.22Å; L93-F115 HydrophobicContact CD2-CE2 4.22Å; L93-F115 HydrophobicContact CD2-CZ 4.03Å; L93-L119 HydrophobicContact CD2-CD1 4.17Å; L93-V186 HydrophobicContact CD1-CB 3.95Å; L93-V186 HydrophobicContact CD1-CG1 4.39Å; L93-W187 HydrophobicContact CB-CZ3 4.11Å
94	A	98.7	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-69.1	-43.1	173.2	0	0	0	0	0	111.7	K90 Y91 T96 F97 V98 C174 V177 M178 W187	K90-A94 VanDerWaalsContact O-CB 3.32Å; K90-A94 WeakPolarHBondContact O-CB 3.39Å; K90-A94 PolarHBondContact O-N 3.24Å; Y91-A94 PolarHBondContact O-N 2.91Å; Y91-A94 VanDerWaalsContact O-N 3.13Å; A94-T96 VanDerWaalsContact C-N 3.27Å; A94-T96 PolarHBondContact O-N 3.33Å; A94-F97 WeakPolarHBondContact O-CB 3.35Å; A94-F97 PolarHBondContact O-N 3.47Å; A94-F97 VanDerWaalsContact O-N 3.1Å; A94-V98 WeakPolarHBondContact O-CG2 3.4Å; A94-V98 PolarHBondContact O-N 3.1Å; A94-C174 HydrophobicContact CB-CB 3.77Å; A94-V177 HydrophobicContact CB-CG1 4.31Å; A94-M178 HydrophobicContact CB-CG 4.3Å; A94-W187 HydrophobicContact CB-CZ3 4.31Å
95	M	98.8	Very high	97.5	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-57.5	-40.9	175.9	-72.9	177	67.6	0	0	112	Y91 L92 F97 V98 Y99 A122 E126 V169	Y91-M95 VanDerWaalsContact O-CG 3.27Å; Y91-M95 WeakPolarHBondContact O-CG 3.31Å; Y91-M95 PolarHBondContact O-N 3.43Å; L92-M95 HydrophobicContact CD2-SD 4.44Å; L92-M95 PolarHBondContact O-N 3.13Å; M95-F97 VanDerWaalsContact C-N 3.3Å; M95-F97 PolarHBondContact O-N 3.36Å; M95-V98 WeakPolarHBondContact O-CA 3.48Å; M95-V98 WeakPolarHBondContact O-CB 3.32Å; M95-V98 PolarHBondContact O-N 2.83Å; M95-V98 VanDerWaalsContact O-N 3.09Å; M95-Y99 WeakPolarHBondContact CE-OH 3.39Å; M95-Y99 PolarHBondContact O-N 3.01Å; M95-A122 HydrophobicContact CB-CB 3.97Å; M95-A122 HydrophobicContact CE-CB 4.32Å; M95-E126 HydrophobicContact CE-CB 4.47Å; M95-E126 HydrophobicContact SD-CB 4.43Å; M95-V169 HydrophobicContact CB-CG2 4.35Å; M95-V169 HydrophobicContact CE-CB 4.24Å; M95-V169 HydrophobicContact CE-CG2 4.13Å; M95-V169 HydrophobicContact CG-CB 3.85Å; M95-V169 HydrophobicContact CG-CG1 4.19Å; M95-V169 HydrophobicContact CG-CG2 3.98Å
96	T	98.8	Very high	97.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-55.7	-44.8	175.5	-60.4	0	0	0	0	111.4	Y66 L92 A94 Y99 F100 F115 A118 L119	Y66-T96 HydrophobicContact CE2-CG2 4.08Å; Y66-T96 WeakPolarHBondContact OH-CB 3.49Å; L92-T96 PolarHBondContact O-N 2.99Å; L92-T96 PolarHBondContact O-OG1 2.86Å; A94-T96 VanDerWaalsContact C-N 3.27Å; A94-T96 PolarHBondContact O-N 3.33Å; T96-Y99 PolarHBondContact O-N 3.2Å; T96-F100 HydrophobicContact CG2-CE1 4.33Å; T96-F100 VanDerWaalsContact O-CD1 3.25Å; T96-F100 WeakPolarHBondContact O-CD1 3.32Å; T96-F100 PolarHBondContact O-N 3.25Å; T96-F115 HydrophobicContact CG2-CD2 3.88Å; T96-F115 HydrophobicContact CG2-CE2 4.13Å; T96-A118 HydrophobicContact CG2-CB 3.74Å; T96-L119 HydrophobicContact CG2-CB 4.45Å; T96-L119 WeakPolarHBondContact OG1-CA 3.45Å; T96-L119 WeakPolarHBondContact OG1-CD1 3.45Å
97	F	98.6	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-38.5	175	-176.1	-108.9	0	0	0	112.8	I58 E62 M63 Y66 L93 A94 M95 Y99 F100 K101 Y110 V177	I58-F97 HydrophobicContact CD1-CE1 3.87Å; I58-F97 HydrophobicContact CG1-CE1 4.01Å; I58-F97 HydrophobicContact CG2-CE1 3.71Å; I58-F97 HydrophobicContact CG2-CZ 3.69Å; E62-F97 HydrophobicContact CB-CZ 4.39Å; M63-F97 HydrophobicContact CE-CD1 3.84Å; M63-F97 HydrophobicContact CE-CE1 3.59Å; M63-F97 HydrophobicContact CE-CG 4.42Å; M63-F97 HydrophobicContact CE-CZ 3.98Å; Y66-F97 HydrophobicContact CD1-CB 3.95Å; Y66-F97 AromaticContact CD1-CD2 3.77Å; Y66-F97 HydrophobicContact CD1-CD2 3.77Å; Y66-F97 HydrophobicContact CD1-CG 4.07Å; Y66-F97 HydrophobicContact CD2-CB 4.28Å; Y66-F97 AromaticContact CD2-CD2 3.73Å; Y66-F97 HydrophobicContact CD2-CD2 3.73Å; Y66-F97 HydrophobicContact CD2-CG 4.47Å; Y66-F97 HydrophobicContact CE1-CB 3.75Å; Y66-F97 HydrophobicContact CE1-CD2 4.41Å; Y66-F97 HydrophobicContact CE1-CG 4.37Å; Y66-F97 HydrophobicContact CE2-CB 4.11Å; Y66-F97 HydrophobicContact CE2-CD2 4.39Å; Y66-F97 HydrophobicContact CG-CB 4.22Å; Y66-F97 AromaticContact CG-CD2 3.39Å; Y66-F97 HydrophobicContact CG-CD2 3.39Å; Y66-F97 HydrophobicContact CG-CE2 4.1Å; Y66-F97 HydrophobicContact CG-CG 4.13Å; L93-F97 PolarHBondContact O-N 3.22Å; A94-F97 WeakPolarHBondContact O-CB 3.35Å; A94-F97 PolarHBondContact O-N 3.47Å; A94-F97 VanDerWaalsContact O-N 3.1Å; M95-F97 VanDerWaalsContact C-N 3.3Å; M95-F97 PolarHBondContact O-N 3.36Å; F97-Y99 PolarHBondContact O-N 3.32Å; F97-F100 WeakPolarHBondContact O-CB 3.19Å; F97-F100 PolarHBondContact O-N 3.42Å; F97-F100 VanDerWaalsContact O-N 3.11Å; F97-K101 HydrophobicContact CD1-CG 4.28Å; F97-K101 HydrophobicContact CE1-CD 4.3Å; F97-K101 HydrophobicContact CE1-CG 3.82Å; F97-K101 HydrophobicContact CE2-CG 4.46Å; F97-K101 HydrophobicContact CZ-CD 3.97Å; F97-K101 HydrophobicContact CZ-CG 3.93Å; F97-K101 PolarHBondContact O-N 3.36Å; F97-Y110 HydrophobicContact CE2-CE2 4.31Å; F97-V177 HydrophobicContact CB-CG1 4.37Å; F97-V177 HydrophobicContact CD1-CG1 3.65Å; F97-V177 HydrophobicContact CD1-CG2 4.12Å; F97-V177 HydrophobicContact CE1-CG1 4.43Å; F97-V177 HydrophobicContact CG-CG1 4.37Å
98	V	98.4	Very high	97.7	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-58	-39.4	173.9	173.1	0	0	0	0	110.8	A94 M95 K101 R102 V169 V177	A94-V98 WeakPolarHBondContact O-CG2 3.4Å; A94-V98 PolarHBondContact O-N 3.1Å; M95-V98 WeakPolarHBondContact O-CA 3.48Å; M95-V98 WeakPolarHBondContact O-CB 3.32Å; M95-V98 PolarHBondContact O-N 2.83Å; M95-V98 VanDerWaalsContact O-N 3.09Å; V98-K101 PolarHBondContact O-N 3Å; V98-R102 HydrophobicContact CG1-CG 4.26Å; V98-R102 WeakPolarHBondContact O-CG 3.47Å; V98-R102 PolarHBondContact O-N 3.12Å; V98-V169 HydrophobicContact CB-CG1 4.35Å; V98-V169 HydrophobicContact CB-CG2 4.26Å; V98-V169 HydrophobicContact CG1-CG1 4.13Å; V98-V169 HydrophobicContact CG1-CG2 3.85Å; V98-V169 HydrophobicContact CG2-CG1 4.07Å; V98-V177 HydrophobicContact CG2-CG2 3.87Å
99	Y	98.6	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-39.1	175.3	-62.3	-20.7	0	0	0	112.8	M95 T96 F97 K101 R102 A103 A118 L121 A122 I163 A167 V169	M95-Y99 WeakPolarHBondContact CE-OH 3.39Å; M95-Y99 PolarHBondContact O-N 3.01Å; T96-Y99 PolarHBondContact O-N 3.2Å; F97-Y99 PolarHBondContact O-N 3.32Å; Y99-K101 VanDerWaalsContact C-N 3.26Å; Y99-K101 PolarHBondContact O-N 3.11Å; Y99-R102 PolarHBondContact O-N 3.4Å; Y99-A103 WeakPolarHBondContact O-CB 3.25Å; Y99-A103 PolarHBondContact O-N 3.2Å; Y99-A118 HydrophobicContact CD2-CB 4.17Å; Y99-A118 WeakPolarHBondContact CD2-O 3.46Å; Y99-L121 HydrophobicContact CD2-CB 4.4Å; Y99-L121 HydrophobicContact CD2-CD2 4.11Å; Y99-L121 HydrophobicContact CD2-CG 4.37Å; Y99-L121 HydrophobicContact CE2-CB 4Å; Y99-L121 HydrophobicContact CE2-CD2 3.95Å; Y99-L121 HydrophobicContact CE2-CG 3.8Å; Y99-A122 HydrophobicContact CE2-CB 3.88Å; Y99-I163 HydrophobicContact CD1-CD1 3.75Å; Y99-I163 HydrophobicContact CE1-CD1 4.04Å; Y99-I163 HydrophobicContact CG-CD1 4.24Å; Y99-A167 HydrophobicContact CE1-CB 4.22Å; Y99-A167 VanDerWaalsContact CE1-O 3.27Å; Y99-A167 WeakPolarHBondContact CE1-O 3.33Å; Y99-A167 PolarHBondContact OH-O 3.32Å; Y99-V169 HydrophobicContact CD1-CG2 4.48Å; Y99-V169 HydrophobicContact CE1-CG2 3.77Å
100	F	98.4	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-42.9	174	-81.4	35.5	0	0	0	111.1	Y66 F69 T96 F97 A103 H104 F105 Y110 N114 F115 A118	Y66-F100 HydrophobicContact CD2-CD2 4.43Å; Y66-F100 HydrophobicContact CD2-CE2 4.44Å; F69-F100 AromaticContact CE2-CE2 3.75Å; F69-F100 HydrophobicContact CE2-CE2 3.75Å; F69-F100 HydrophobicContact CE2-CZ 4.14Å; F69-F100 HydrophobicContact CZ-CE2 4.18Å; F69-F100 HydrophobicContact CZ-CZ 4.43Å; T96-F100 HydrophobicContact CG2-CE1 4.33Å; T96-F100 VanDerWaalsContact O-CD1 3.25Å; T96-F100 WeakPolarHBondContact O-CD1 3.32Å; T96-F100 PolarHBondContact O-N 3.25Å; F97-F100 WeakPolarHBondContact O-CB 3.19Å; F97-F100 PolarHBondContact O-N 3.42Å; F97-F100 VanDerWaalsContact O-N 3.11Å; F100-A103 PolarHBondContact O-N 3.02Å; F100-H104 PolarHBondContact O-N 3.35Å; F100-F105 HydrophobicContact CB-CD2 3.97Å; F100-F105 AromaticContact CD1-CD2 3.76Å; F100-F105 HydrophobicContact CD1-CD2 3.76Å; F100-F105 AromaticContact CD1-CE2 3.82Å; F100-F105 HydrophobicContact CD1-CE2 3.82Å; F100-F105 AromaticContact CD2-CD2 3.87Å; F100-F105 HydrophobicContact CD2-CD2 3.87Å; F100-F105 HydrophobicContact CE1-CD2 4.15Å; F100-F105 AromaticContact CE1-CE2 3.95Å; F100-F105 HydrophobicContact CE1-CE2 3.95Å; F100-F105 HydrophobicContact CE2-CD2 4.24Å; F100-F105 AromaticContact CG-CD2 3.6Å; F100-F105 HydrophobicContact CG-CD2 3.6Å; F100-F105 HydrophobicContact CG-CE2 4.16Å; F100-F105 HydrophobicContact CZ-CD2 4.38Å; F100-F105 HydrophobicContact CZ-CE2 4.39Å; F100-F105 PolarHBondContact O-N 3.09Å; F100-F105 VanDerWaalsContact O-N 3.09Å; F100-Y110 AromaticContact CD2-CD1 3.85Å; F100-Y110 HydrophobicContact CD2-CD1 3.85Å; F100-Y110 AromaticContact CD2-CD2 3.9Å; F100-Y110 HydrophobicContact CD2-CD2 3.9Å; F100-Y110 AromaticContact CD2-CE1 3.82Å; F100-Y110 HydrophobicContact CD2-CE1 3.82Å; F100-Y110 AromaticContact CD2-CE2 3.85Å; F100-Y110 HydrophobicContact CD2-CE2 3.85Å; F100-Y110 AromaticContact CD2-CG 3.91Å; F100-Y110 HydrophobicContact CD2-CG 3.91Å; F100-Y110 AromaticContact CD2-CZ 3.82Å; F100-Y110 HydrophobicContact CE2-CD1 4.12Å; F100-Y110 HydrophobicContact CE2-CD2 4.03Å; F100-Y110 HydrophobicContact CE2-CE2 4.44Å; F100-Y110 AromaticContact CE2-CG 3.87Å; F100-Y110 HydrophobicContact CE2-CG 3.87Å; F100-N114 HydrophobicContact CE1-CB 4.39Å; F100-N114 HydrophobicContact CZ-CB 4.07Å; F100-F115 HydrophobicContact CZ-CB 4.24Å; F100-A118 HydrophobicContact CD1-CB 4.06Å; F100-A118 HydrophobicContact CE1-CB 3.72Å
101	K	97.3	Very high	97.8	Very high	22 Å²	22	28.8 Å²	28.8	10%	0.096	16%	0.161	C	C	.	.	H	α-helix	trans	-68	-44.9	177.6	-69.3	-57.4	-50.8	-177.1	0	112.6	V57 I58 E62 F97 V98 Y99 A103 H104	V57-K101 PolarHBondContact O-NZ 3.49Å; I58-K101 HydrophobicContact CG1-CD 4.28Å; I58-K101 HydrophobicContact CG1-CG 4.23Å; E62-K101 IonicContact OE1-NZ 3.97Å; E62-K101 PolarHBondContact OE1-NZ 2.91Å; E62-K101 IonicContact OE2-NZ 3.63Å; E62-K101 PolarHBondContact OE2-NZ 2.76Å; F97-K101 HydrophobicContact CD1-CG 4.28Å; F97-K101 HydrophobicContact CE1-CD 4.3Å; F97-K101 HydrophobicContact CE1-CG 3.82Å; F97-K101 HydrophobicContact CE2-CG 4.46Å; F97-K101 HydrophobicContact CZ-CD 3.97Å; F97-K101 HydrophobicContact CZ-CG 3.93Å; F97-K101 PolarHBondContact O-N 3.36Å; V98-K101 PolarHBondContact O-N 3Å; Y99-K101 VanDerWaalsContact C-N 3.26Å; Y99-K101 PolarHBondContact O-N 3.11Å; K101-A103 VanDerWaalsContact C-N 3.28Å; K101-A103 PolarHBondContact O-N 3.32Å; K101-H104 PolarHBondContact O-N 3.04Å; K101-H104 VanDerWaalsContact O-N 3.12Å
102	R	97.3	Very high	97.8	Very high	34 Å²	34	31.7 Å²	31.7	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-32.8	176.8	-71.9	177	-179	174.3	2	112.3	V98 Y99 H104 I163 R166 A168	V98-R102 HydrophobicContact CG1-CG 4.26Å; V98-R102 WeakPolarHBondContact O-CG 3.47Å; V98-R102 PolarHBondContact O-N 3.12Å; Y99-R102 PolarHBondContact O-N 3.4Å; R102-H104 PolarHBondContact O-N 3.23Å; R102-I163 HydrophobicContact CB-CB 3.87Å; R102-I163 HydrophobicContact CB-CG2 3.73Å; R102-R166 WeakPolarHBondContact CD-O 3.49Å; R102-R166 PolarHBondContact NH1-O 3.07Å; R102-A168 PolarHBondContact NH1-O 2.73Å; R102-A168 PolarHBondContact NH2-O 3.14Å
103	A	97.3	Very high	97.7	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-6.8	177.3	0	0	0	0	0	112.9	Y99 F100 K101 F105 L159 R162 I163	Y99-A103 WeakPolarHBondContact O-CB 3.25Å; Y99-A103 PolarHBondContact O-N 3.2Å; F100-A103 PolarHBondContact O-N 3.02Å; K101-A103 VanDerWaalsContact C-N 3.28Å; K101-A103 PolarHBondContact O-N 3.32Å; A103-F105 VanDerWaalsContact C-N 3.26Å; A103-F105 HydrophobicContact CB-CD1 3.95Å; A103-F105 HydrophobicContact CB-CD2 4.46Å; A103-F105 HydrophobicContact CB-CE1 3.91Å; A103-F105 HydrophobicContact CB-CE2 4.41Å; A103-F105 HydrophobicContact CB-CG 4.24Å; A103-F105 HydrophobicContact CB-CZ 4.16Å; A103-F105 PolarHBondContact O-N 2.9Å; A103-L159 HydrophobicContact CB-CD1 3.88Å; A103-R162 HydrophobicContact CB-CG 4.14Å; A103-R162 VanDerWaalsContact O-CZ 3.29Å; A103-R162 PolarHBondContact O-NE 2.91Å; A103-R162 PolarHBondContact O-NH2 3.35Å; A103-R162 VanDerWaalsContact O-NH2 3.09Å; A103-I163 HydrophobicContact CB-CG2 3.8Å
104	H	96.1	Very high	97.7	Very high	105 Å²	105	36.9 Å²	36.9	49%	0.486	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	45.7	-171.4	-63.5	-76	0	0	0	112.3	M53 F100 K101 R102 S106	M53-H104 WeakPolarHBondContact CE-NE2 3.4Å; F100-H104 PolarHBondContact O-N 3.35Å; K101-H104 PolarHBondContact O-N 3.04Å; K101-H104 VanDerWaalsContact O-N 3.12Å; R102-H104 PolarHBondContact O-N 3.23Å; H104-S106 PolarHBondContact O-N 2.95Å
105	F	97.2	Very high	97.7	Very high	15 Å²	15	36.9 Å²	36.9	7%	0.066	20%	0.195	C	C	.	.			trans	-64.1	128.8	173.8	-76.3	-21.9	0	0	0	110.6	F100 A103 E109 Y110 N114 L159	F100-F105 HydrophobicContact CB-CD2 3.97Å; F100-F105 AromaticContact CD1-CD2 3.76Å; F100-F105 HydrophobicContact CD1-CD2 3.76Å; F100-F105 AromaticContact CD1-CE2 3.82Å; F100-F105 HydrophobicContact CD1-CE2 3.82Å; F100-F105 AromaticContact CD2-CD2 3.87Å; F100-F105 HydrophobicContact CD2-CD2 3.87Å; F100-F105 HydrophobicContact CE1-CD2 4.15Å; F100-F105 AromaticContact CE1-CE2 3.95Å; F100-F105 HydrophobicContact CE1-CE2 3.95Å; F100-F105 HydrophobicContact CE2-CD2 4.24Å; F100-F105 AromaticContact CG-CD2 3.6Å; F100-F105 HydrophobicContact CG-CD2 3.6Å; F100-F105 HydrophobicContact CG-CE2 4.16Å; F100-F105 HydrophobicContact CZ-CD2 4.38Å; F100-F105 HydrophobicContact CZ-CE2 4.39Å; F100-F105 PolarHBondContact O-N 3.09Å; F100-F105 VanDerWaalsContact O-N 3.09Å; A103-F105 VanDerWaalsContact C-N 3.26Å; A103-F105 HydrophobicContact CB-CD1 3.95Å; A103-F105 HydrophobicContact CB-CD2 4.46Å; A103-F105 HydrophobicContact CB-CE1 3.91Å; A103-F105 HydrophobicContact CB-CE2 4.41Å; A103-F105 HydrophobicContact CB-CG 4.24Å; A103-F105 HydrophobicContact CB-CZ 4.16Å; A103-F105 PolarHBondContact O-N 2.9Å; F105-E109 WeakPolarHBondContact CA-OE2 3.3Å; F105-E109 HydrophobicContact CB-CB 3.92Å; F105-E109 HydrophobicContact CD1-CB 3.88Å; F105-E109 HydrophobicContact CD1-CG 4.36Å; F105-E109 WeakPolarHBondContact CD1-OE1 3.5Å; F105-E109 HydrophobicContact CG-CB 3.9Å; F105-Y110 HydrophobicContact CB-CD1 4.14Å; F105-Y110 HydrophobicContact CB-CE1 3.79Å; F105-N114 HydrophobicContact CE2-CB 3.9Å; F105-N114 HydrophobicContact CZ-CB 4.26Å; F105-L159 HydrophobicContact CE1-CD1 4.49Å; F105-L159 HydrophobicContact CE2-CD1 4.28Å; F105-L159 HydrophobicContact CZ-CD1 3.75Å
106	S	96.3	Very high	97.7	Very high	61 Å²	61	36.8 Å²	36.8	43%	0.427	19%	0.194	S	C	.	.			trans	-68	159.3	162.3	64.5	0	0	0	0	110.1	H104 A108 E109 Y110	H104-S106 PolarHBondContact O-N 2.95Å; S106-A108 PolarHBondContact O-N 2.87Å; S106-A108 VanDerWaalsContact O-N 3.12Å; S106-E109 PolarHBondContact N-OE2 3.19Å; S106-E109 WeakPolarHBondContact O-CA 3.38Å; S106-E109 WeakPolarHBondContact O-CB 3.49Å; S106-E109 PolarHBondContact O-N 2.85Å; S106-E109 PolarHBondContact OG-OE2 3.45Å; S106-Y110 WeakPolarHBondContact O-CD1 3.25Å
107	I	95.3	Very high	97.7	Very high	77 Å²	77	37.2 Å²	37.2	40%	0.395	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-57.2	-30.6	178.1	-64	165	0	0	0	111.6	Q61 E109 Y110	Q61-I107 HydrophobicContact CG-CD1 3.56Å; I107-E109 PolarHBondContact O-N 2.87Å; I107-Y110 WeakPolarHBondContact O-CB 3.3Å; I107-Y110 PolarHBondContact O-N 3.32Å; I107-Y110 VanDerWaalsContact O-N 3.09Å
108	A	96.8	Very high	97.7	Very high	97 Å²	97	37.2 Å²	37.2	80%	0.802	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-64.8	-26.1	175.5	0	0	0	0	0	113	S106 Y110	S106-A108 PolarHBondContact O-N 2.87Å; S106-A108 VanDerWaalsContact O-N 3.12Å; A108-Y110 VanDerWaalsContact C-N 3.3Å
109	E	97.9	Very high	97.7	Very high	53 Å²	53	36.8 Å²	36.8	25%	0.248	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-84.4	-2.6	176.2	-67.3	167.5	98.9	0	0	112.5	F105 S106 I107 S111 N114 R162	F105-E109 WeakPolarHBondContact CA-OE2 3.3Å; F105-E109 HydrophobicContact CB-CB 3.92Å; F105-E109 HydrophobicContact CD1-CB 3.88Å; F105-E109 HydrophobicContact CD1-CG 4.36Å; F105-E109 WeakPolarHBondContact CD1-OE1 3.5Å; F105-E109 HydrophobicContact CG-CB 3.9Å; S106-E109 PolarHBondContact N-OE2 3.19Å; S106-E109 WeakPolarHBondContact O-CA 3.38Å; S106-E109 WeakPolarHBondContact O-CB 3.49Å; S106-E109 PolarHBondContact O-N 2.85Å; S106-E109 PolarHBondContact OG-OE2 3.45Å; I107-E109 PolarHBondContact O-N 2.87Å; E109-S111 PolarHBondContact O-N 3.24Å; E109-N114 PolarHBondContact O-ND2 3.33Å; E109-R162 IonicContact OE1-CZ 2.68Å; E109-R162 VanDerWaalsContact OE1-CZ 3.28Å; E109-R162 IonicContact OE1-NH1 3Å; E109-R162 PolarHBondContact OE1-NH1 3.5Å; E109-R162 IonicContact OE1-NH2 2.73Å; E109-R162 PolarHBondContact OE1-NH2 2.92Å; E109-R162 IonicContact OE2-NH2 3.65Å
110	Y	98	Very high	97.7	Very high	25 Å²	25	37 Å²	37	10%	0.098	20%	0.195	C	C	.	.			trans	-78.3	75.4	175.3	-73.6	41.9	0	0	0	108.6	E62 F69 F97 F100 F105 S106 I107 A108	E62-Y110 WeakPolarHBondContact O-CE2 3.31Å; F69-Y110 HydrophobicContact CE2-CD2 4.41Å; F69-Y110 WeakPolarHBondContact CZ-O 3.5Å; F97-Y110 HydrophobicContact CE2-CE2 4.31Å; F100-Y110 AromaticContact CD2-CD1 3.85Å; F100-Y110 HydrophobicContact CD2-CD1 3.85Å; F100-Y110 AromaticContact CD2-CD2 3.9Å; F100-Y110 HydrophobicContact CD2-CD2 3.9Å; F100-Y110 AromaticContact CD2-CE1 3.82Å; F100-Y110 HydrophobicContact CD2-CE1 3.82Å; F100-Y110 AromaticContact CD2-CE2 3.85Å; F100-Y110 HydrophobicContact CD2-CE2 3.85Å; F100-Y110 AromaticContact CD2-CG 3.91Å; F100-Y110 HydrophobicContact CD2-CG 3.91Å; F100-Y110 AromaticContact CD2-CZ 3.82Å; F100-Y110 HydrophobicContact CE2-CD1 4.12Å; F100-Y110 HydrophobicContact CE2-CD2 4.03Å; F100-Y110 HydrophobicContact CE2-CE2 4.44Å; F100-Y110 AromaticContact CE2-CG 3.87Å; F100-Y110 HydrophobicContact CE2-CG 3.87Å; F105-Y110 HydrophobicContact CB-CD1 4.14Å; F105-Y110 HydrophobicContact CB-CE1 3.79Å; S106-Y110 WeakPolarHBondContact O-CD1 3.25Å; I107-Y110 WeakPolarHBondContact O-CB 3.3Å; I107-Y110 PolarHBondContact O-N 3.32Å; I107-Y110 VanDerWaalsContact O-N 3.09Å; A108-Y110 VanDerWaalsContact C-N 3.3Å
111	S	98.2	Very high	97.7	Very high	44 Å²	44	37.1 Å²	37.1	31%	0.308	20%	0.195	S	C	.	.			trans	-109.7	156.1	178.4	69.3	0	0	0	0	111.9	F69 E109 K113 N114 F115	F69-S111 WeakPolarHBondContact CZ-O 3.19Å; E109-S111 PolarHBondContact O-N 3.24Å; S111-K113 PolarHBondContact O-N 2.88Å; S111-N114 PolarHBondContact O-N 3.45Å; S111-N114 VanDerWaalsContact O-N 3.12Å; S111-N114 PolarHBondContact OG-N 3.15Å; S111-F115 PolarHBondContact O-N 2.97Å
112	R	98.3	Very high	97.8	Very high	115 Å²	115	36.1 Å²	36.1	43%	0.434	19%	0.191	S	C	.	.	H	α-helix	trans	-55.2	-38.5	175.1	-65.2	-168.9	-72.3	-169.6	-0.9	112.3	D72 I75 F115 F116	D72-R112 IonicContact OD1-NH1 3.28Å; D72-R112 PolarHBondContact OD1-NH1 3.32Å; D72-R112 IonicContact OD2-CZ 3.95Å; D72-R112 IonicContact OD2-NE 3.89Å; D72-R112 IonicContact OD2-NH1 3.65Å; D72-R112 PolarHBondContact OD2-NH1 3.36Å; I75-R112 HydrophobicContact CD1-CG 4.13Å; R112-F115 WeakPolarHBondContact O-CB 3.21Å; R112-F115 PolarHBondContact O-N 3.13Å; R112-F116 WeakPolarHBondContact O-CD2 3.35Å; R112-F116 PolarHBondContact O-N 3.16Å
113	K	97.4	Very high	97.8	Very high	83 Å²	83	34.5 Å²	34.5	36%	0.361	19%	0.185	S	C	.	.	H	α-helix	trans	-61	-48.9	177.7	-173.8	-174.8	175.3	-176.7	0	111.4	S111 F115 F116 M117	S111-K113 PolarHBondContact O-N 2.88Å; K113-F115 VanDerWaalsContact C-N 3.31Å; K113-F115 PolarHBondContact O-N 3.11Å; K113-F116 PolarHBondContact O-N 2.98Å; K113-M117 HydrophobicContact CG-CE 4.1Å; K113-M117 HydrophobicContact CG-SD 4.37Å; K113-M117 WeakPolarHBondContact O-CG 3.46Å; K113-M117 PolarHBondContact O-N 3.15Å
114	N	98.4	Very high	97.8	Very high	26 Å²	26	36.5 Å²	36.5	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-36	178.1	-72.8	-7.1	0	0	0	111.7	F100 F105 E109 S111 M117 A118	F100-N114 HydrophobicContact CE1-CB 4.39Å; F100-N114 HydrophobicContact CZ-CB 4.07Å; F105-N114 HydrophobicContact CE2-CB 3.9Å; F105-N114 HydrophobicContact CZ-CB 4.26Å; E109-N114 PolarHBondContact O-ND2 3.33Å; S111-N114 PolarHBondContact O-N 3.45Å; S111-N114 VanDerWaalsContact O-N 3.12Å; S111-N114 PolarHBondContact OG-N 3.15Å; N114-M117 HydrophobicContact CB-CE 4.4Å; N114-M117 PolarHBondContact O-N 3.32Å; N114-M117 WeakPolarHBondContact OD1-CE 3.38Å; N114-A118 VanDerWaalsContact O-CB 3.31Å; N114-A118 WeakPolarHBondContact O-CB 3.47Å; N114-A118 PolarHBondContact O-N 3.29Å
115	F	98.8	Very high	97.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.8	-53.9	172.5	169.6	-95.7	0	0	0	111.1	Y66 F69 F70 I75 L93 T96 F100 S111 R112 K113 M117 A118 L119	Y66-F115 HydrophobicContact CE2-CD2 4.09Å; Y66-F115 HydrophobicContact CE2-CE2 4.37Å; F69-F115 HydrophobicContact CD2-CB 4.47Å; F69-F115 HydrophobicContact CD2-CD2 4.13Å; F69-F115 HydrophobicContact CE1-CB 4.36Å; F69-F115 HydrophobicContact CE2-CB 4.22Å; F69-F115 HydrophobicContact CG-CD2 4.44Å; F69-F115 HydrophobicContact CZ-CB 4.14Å; F70-F115 HydrophobicContact CE1-CE2 4.11Å; F70-F115 HydrophobicContact CE1-CZ 4.18Å; F70-F115 HydrophobicContact CZ-CE2 4.24Å; I75-F115 HydrophobicContact CD1-CD1 3.91Å; I75-F115 HydrophobicContact CD1-CE1 4.14Å; I75-F115 HydrophobicContact CD1-CG 4.35Å; I75-F115 HydrophobicContact CG1-CD1 4.49Å; I75-F115 HydrophobicContact CG1-CE1 4.42Å; I75-F115 HydrophobicContact CG2-CE1 4.22Å; I75-F115 HydrophobicContact CG2-CZ 4.34Å; L93-F115 HydrophobicContact CD2-CE2 4.22Å; L93-F115 HydrophobicContact CD2-CZ 4.03Å; T96-F115 HydrophobicContact CG2-CD2 3.88Å; T96-F115 HydrophobicContact CG2-CE2 4.13Å; F100-F115 HydrophobicContact CZ-CB 4.24Å; S111-F115 PolarHBondContact O-N 2.97Å; R112-F115 WeakPolarHBondContact O-CB 3.21Å; R112-F115 PolarHBondContact O-N 3.13Å; K113-F115 VanDerWaalsContact C-N 3.31Å; K113-F115 PolarHBondContact O-N 3.11Å; F115-M117 PolarHBondContact O-N 3.48Å; F115-A118 PolarHBondContact O-N 3.16Å; F115-L119 HydrophobicContact CE1-CD2 4.14Å; F115-L119 HydrophobicContact CZ-CD2 4.18Å; F115-L119 WeakPolarHBondContact O-CB 3.38Å; F115-L119 PolarHBondContact O-N 2.86Å
116	F	98.8	Very high	97.7	Very high	3 Å²	3	40.1 Å²	40.1	1%	0.013	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-37.7	179.6	-75.1	-59.6	0	0	0	113.1	L74 I75 F78 R112 K113 L119 Y120 I136 W139 A140 F152	L74-F116 HydrophobicContact CD2-CE2 3.69Å; L74-F116 HydrophobicContact CD2-CZ 3.61Å; I75-F116 HydrophobicContact CG1-CZ 4.36Å; F78-F116 AromaticContact CD1-CE1 3.73Å; F78-F116 HydrophobicContact CD1-CE1 3.73Å; F78-F116 HydrophobicContact CD1-CZ 4.44Å; F78-F116 HydrophobicContact CD2-CE1 4.31Å; F78-F116 HydrophobicContact CE1-CD1 4.5Å; F78-F116 AromaticContact CE1-CE1 3.89Å; F78-F116 HydrophobicContact CE1-CE1 3.89Å; F78-F116 HydrophobicContact CE2-CE1 4.46Å; F78-F116 AromaticContact CG-CE1 3.94Å; F78-F116 HydrophobicContact CG-CE1 3.94Å; F78-F116 HydrophobicContact CG-CZ 4.41Å; F78-F116 HydrophobicContact CZ-CE1 4.28Å; R112-F116 WeakPolarHBondContact O-CD2 3.35Å; R112-F116 PolarHBondContact O-N 3.16Å; K113-F116 PolarHBondContact O-N 2.98Å; F116-L119 PolarHBondContact O-N 3.07Å; F116-Y120 VanDerWaalsContact O-CB 3.25Å; F116-Y120 WeakPolarHBondContact O-CB 3.4Å; F116-Y120 PolarHBondContact O-N 3.39Å; F116-I136 HydrophobicContact CB-CG2 3.94Å; F116-I136 HydrophobicContact CD1-CG2 3.78Å; F116-I136 HydrophobicContact CG-CG2 4.19Å; F116-W139 HydrophobicContact CE1-CB 4.12Å; F116-W139 HydrophobicContact CE2-CB 4.47Å; F116-W139 HydrophobicContact CZ-CB 3.89Å; F116-A140 HydrophobicContact CB-CB 3.69Å; F116-A140 HydrophobicContact CD2-CB 3.79Å; F116-A140 HydrophobicContact CG-CB 3.79Å; F116-F152 HydrophobicContact CB-CE2 4.33Å; F116-F152 HydrophobicContact CB-CZ 4.41Å
117	M	98.6	Very high	97.5	Very high	9 Å²	9	39.1 Å²	39.1	4%	0.044	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-44.8	175.8	-72.7	-174.7	-52.9	0	0	112.1	K113 N114 F115 Y120 L121 F152 Q155 L159	K113-M117 HydrophobicContact CG-CE 4.1Å; K113-M117 HydrophobicContact CG-SD 4.37Å; K113-M117 WeakPolarHBondContact O-CG 3.46Å; K113-M117 PolarHBondContact O-N 3.15Å; N114-M117 HydrophobicContact CB-CE 4.4Å; N114-M117 PolarHBondContact O-N 3.32Å; N114-M117 WeakPolarHBondContact OD1-CE 3.38Å; F115-M117 PolarHBondContact O-N 3.48Å; M117-Y120 PolarHBondContact O-N 2.96Å; M117-L121 PolarHBondContact O-N 3.29Å; M117-F152 HydrophobicContact CB-CE2 4.37Å; M117-F152 HydrophobicContact CB-CZ 4.25Å; M117-F152 HydrophobicContact CG-CD2 3.83Å; M117-F152 HydrophobicContact CG-CE1 4.3Å; M117-F152 HydrophobicContact CG-CE2 3.37Å; M117-F152 HydrophobicContact CG-CG 4.49Å; M117-F152 HydrophobicContact CG-CZ 3.65Å; M117-Q155 HydrophobicContact SD-CB 3.4Å; M117-Q155 WeakPolarHBondContact SD-CB 3.38Å; M117-L159 HydrophobicContact CB-CD2 4.42Å
118	A	98.8	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-39.3	177.3	0	0	0	0	0	111.9	T96 Y99 F100 N114 F115 L121 A122 L159	T96-A118 HydrophobicContact CG2-CB 3.74Å; Y99-A118 HydrophobicContact CD2-CB 4.17Å; Y99-A118 WeakPolarHBondContact CD2-O 3.46Å; F100-A118 HydrophobicContact CD1-CB 4.06Å; F100-A118 HydrophobicContact CE1-CB 3.72Å; N114-A118 VanDerWaalsContact O-CB 3.31Å; N114-A118 WeakPolarHBondContact O-CB 3.47Å; N114-A118 PolarHBondContact O-N 3.29Å; F115-A118 PolarHBondContact O-N 3.16Å; A118-L121 PolarHBondContact O-N 2.86Å; A118-A122 PolarHBondContact O-N 3.41Å; A118-L159 HydrophobicContact CB-CD2 3.88Å
119	L	98.8	Very high	96.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-40.8	175.3	-176.1	64.9	0	0	0	111.9	F78 M87 T88 L92 L93 T96 F115 F116 L121 A122 N123 I136	F78-L119 HydrophobicContact CE1-CD2 3.53Å; F78-L119 HydrophobicContact CZ-CD2 3.97Å; M87-L119 WeakPolarHBondContact O-CD1 3.49Å; T88-L119 HydrophobicContact CG2-CD2 4.11Å; L92-L119 HydrophobicContact CB-CD1 4.24Å; L93-L119 HydrophobicContact CD2-CD1 4.17Å; T96-L119 HydrophobicContact CG2-CB 4.45Å; T96-L119 WeakPolarHBondContact OG1-CA 3.45Å; T96-L119 WeakPolarHBondContact OG1-CD1 3.45Å; F115-L119 HydrophobicContact CE1-CD2 4.14Å; F115-L119 HydrophobicContact CZ-CD2 4.18Å; F115-L119 WeakPolarHBondContact O-CB 3.38Å; F115-L119 PolarHBondContact O-N 2.86Å; F116-L119 PolarHBondContact O-N 3.07Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-A122 WeakPolarHBondContact O-CB 3.3Å; L119-A122 PolarHBondContact O-N 3.32Å; L119-N123 PolarHBondContact O-N 3.45Å; L119-N123 PolarHBondContact O-ND2 3.23Å; L119-I136 HydrophobicContact CD2-CD1 4.37Å; L119-I136 HydrophobicContact CG-CD1 4.26Å
120	Y	98.6	Very high	96.1	Very high	5 Å²	5	43.5 Å²	43.5	2%	0.02	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-42.4	174.6	-170.3	-78.6	0	0	0	111.4	F116 M117 A122 N123 T124 K133 Y134 I136 F137 F152 L153 R156	F116-Y120 VanDerWaalsContact O-CB 3.25Å; F116-Y120 WeakPolarHBondContact O-CB 3.4Å; F116-Y120 PolarHBondContact O-N 3.39Å; M117-Y120 PolarHBondContact O-N 2.96Å; Y120-A122 VanDerWaalsContact C-N 3.32Å; Y120-A122 PolarHBondContact O-N 3.2Å; Y120-N123 PolarHBondContact O-N 2.98Å; Y120-T124 WeakPolarHBondContact CE1-OG1 3.29Å; Y120-T124 WeakPolarHBondContact O-CB 3.39Å; Y120-T124 PolarHBondContact O-N 2.89Å; Y120-T124 PolarHBondContact O-OG1 3.46Å; Y120-K133 HydrophobicContact CD2-CB 4.44Å; Y120-K133 HydrophobicContact CD2-CG 4.33Å; Y120-K133 HydrophobicContact CE1-CD 4.38Å; Y120-K133 HydrophobicContact CE2-CB 4.28Å; Y120-K133 HydrophobicContact CE2-CD 4.43Å; Y120-K133 HydrophobicContact CE2-CG 3.74Å; Y120-Y134 HydrophobicContact CE2-CD1 4.37Å; Y120-Y134 VanDerWaalsContact OH-CE1 3.31Å; Y120-Y134 WeakPolarHBondContact OH-CE1 3.39Å; Y120-I136 HydrophobicContact CD2-CB 4.13Å; Y120-I136 HydrophobicContact CD2-CD1 3.98Å; Y120-I136 HydrophobicContact CD2-CG2 4.34Å; Y120-I136 HydrophobicContact CG-CD1 4.43Å; Y120-F137 HydrophobicContact CD2-CE1 4.15Å; Y120-F137 HydrophobicContact CD2-CZ 4.45Å; Y120-F137 HydrophobicContact CE2-CD1 4.36Å; Y120-F137 AromaticContact CE2-CE1 3.58Å; Y120-F137 HydrophobicContact CE2-CE1 3.58Å; Y120-F137 HydrophobicContact CE2-CE2 4.15Å; Y120-F137 AromaticContact CE2-CZ 3.46Å; Y120-F137 HydrophobicContact CE2-CZ 3.46Å; Y120-F137 VanDerWaalsContact CE2-CZ 3.46Å; Y120-F137 AromaticContact CZ-CZ 3.66Å; Y120-F137 WeakPolarHBondContact OH-CZ 3.43Å; Y120-F152 HydrophobicContact CD1-CE1 4.36Å; Y120-F152 AromaticContact CD2-CE1 3.99Å; Y120-F152 HydrophobicContact CD2-CE1 3.99Å; Y120-F152 AromaticContact CG-CE1 3.83Å; Y120-F152 HydrophobicContact CG-CE1 3.83Å; Y120-F152 HydrophobicContact CG-CZ 4.46Å; Y120-L153 HydrophobicContact CD1-CD2 4.35Å; Y120-L153 HydrophobicContact CE1-CD2 3.57Å; Y120-R156 HydrophobicContact CD1-CG 4.42Å
121	L	98.7	Very high	95.6	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	23%	0.225	C	C	.	.	H	α-helix	trans	-61.7	-40.5	173.3	-178.1	60.1	0	0	0	111	Y99 M117 A118 L119 T124 M125 R156 L159 W160 I163 A167	Y99-L121 HydrophobicContact CD2-CB 4.4Å; Y99-L121 HydrophobicContact CD2-CD2 4.11Å; Y99-L121 HydrophobicContact CD2-CG 4.37Å; Y99-L121 HydrophobicContact CE2-CB 4Å; Y99-L121 HydrophobicContact CE2-CD2 3.95Å; Y99-L121 HydrophobicContact CE2-CG 3.8Å; M117-L121 PolarHBondContact O-N 3.29Å; A118-L121 PolarHBondContact O-N 2.86Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L121-T124 PolarHBondContact O-N 3.14Å; L121-M125 HydrophobicContact CD1-CG 4.25Å; L121-M125 HydrophobicContact CD1-SD 4.48Å; L121-M125 VanDerWaalsContact O-CG 3.27Å; L121-M125 WeakPolarHBondContact O-CG 3.36Å; L121-M125 PolarHBondContact O-N 3.41Å; L121-M125 VanDerWaalsContact O-N 3.13Å; L121-R156 HydrophobicContact CB-CG 4.06Å; L121-R156 HydrophobicContact CD1-CG 4.29Å; L121-L159 HydrophobicContact CD2-CD2 4.45Å; L121-L159 HydrophobicContact CD2-CG 4.45Å; L121-W160 HydrophobicContact CD1-CB 4.3Å; L121-W160 HydrophobicContact CD1-CG 4.28Å; L121-W160 HydrophobicContact CD2-CB 4.1Å; L121-W160 HydrophobicContact CD2-CG 4.47Å; L121-I163 HydrophobicContact CD2-CD1 3.97Å; L121-A167 HydrophobicContact CD2-CB 4.5Å
122	A	98.6	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-48.3	178.4	0	0	0	0	0	111	L92 M95 Y99 A118 L119 Y120 T124 M125 E126	L92-A122 HydrophobicContact CD2-CB 3.96Å; M95-A122 HydrophobicContact CB-CB 3.97Å; M95-A122 HydrophobicContact CE-CB 4.32Å; Y99-A122 HydrophobicContact CE2-CB 3.88Å; A118-A122 PolarHBondContact O-N 3.41Å; L119-A122 WeakPolarHBondContact O-CB 3.3Å; L119-A122 PolarHBondContact O-N 3.32Å; Y120-A122 VanDerWaalsContact C-N 3.32Å; Y120-A122 PolarHBondContact O-N 3.2Å; A122-T124 VanDerWaalsContact C-N 3.3Å; A122-T124 PolarHBondContact O-N 2.91Å; A122-M125 PolarHBondContact O-N 3.26Å; A122-M125 VanDerWaalsContact O-N 3.12Å; A122-E126 PolarHBondContact O-N 3.47Å
123	N	97.9	Very high	95	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-58.3	-41.8	174.6	-81.9	-97	0	0	0	111.8	M87 L119 Y120 M125 E127 K133	M87-N123 VanDerWaalsContact CA-OD1 3.26Å; M87-N123 WeakPolarHBondContact CA-OD1 2.88Å; M87-N123 PolarHBondContact O-ND2 2.89Å; M87-N123 VanDerWaalsContact O-ND2 3.09Å; L119-N123 PolarHBondContact O-N 3.45Å; L119-N123 PolarHBondContact O-ND2 3.23Å; Y120-N123 PolarHBondContact O-N 2.98Å; N123-M125 PolarHBondContact O-N 3.13Å; N123-E127 WeakPolarHBondContact O-CB 3.37Å; N123-E127 PolarHBondContact O-N 3.39Å; N123-K133 HydrophobicContact CB-CB 3.75Å; N123-K133 HydrophobicContact CB-CD 4.47Å
124	T	97.3	Very high	94.9	Very high	44 Å²	44	38 Å²	38	27%	0.27	19%	0.188	S	C	.	.	H	α-helix	trans	-62.7	-29.4	178.8	-58	0	0	0	0	112.9	Y120 L121 A122	Y120-T124 WeakPolarHBondContact CE1-OG1 3.29Å; Y120-T124 WeakPolarHBondContact O-CB 3.39Å; Y120-T124 PolarHBondContact O-N 2.89Å; Y120-T124 PolarHBondContact O-OG1 3.46Å; L121-T124 PolarHBondContact O-N 3.14Å; A122-T124 VanDerWaalsContact C-N 3.3Å; A122-T124 PolarHBondContact O-N 2.91Å
125	M	96.3	Very high	94.7	Very high	82 Å²	82	38.4 Å²	38.4	40%	0.404	19%	0.189	S	C	.	.	H	α-helix	trans	-91.6	-28.7	-176.9	-61.4	-62.3	-68.3	0	0	113.5	L121 A122 N123 A167	L121-M125 HydrophobicContact CD1-CG 4.25Å; L121-M125 HydrophobicContact CD1-SD 4.48Å; L121-M125 VanDerWaalsContact O-CG 3.27Å; L121-M125 WeakPolarHBondContact O-CG 3.36Å; L121-M125 PolarHBondContact O-N 3.41Å; L121-M125 VanDerWaalsContact O-N 3.13Å; A122-M125 PolarHBondContact O-N 3.26Å; A122-M125 VanDerWaalsContact O-N 3.12Å; N123-M125 PolarHBondContact O-N 3.13Å; M125-A167 HydrophobicContact CE-CB 3.62Å; M125-A167 HydrophobicContact CG-CB 3.74Å; M125-A167 HydrophobicContact SD-CB 3.91Å
126	E	94.6	Very high	94.7	Very high	114 Å²	114	38.4 Å²	38.4	53%	0.533	19%	0.189	S	C	.	.	H	α-helix	trans	-109.6	-26.8	-171.4	-161.1	65.5	-152.8	0	0	113.6	L92 M95 A122	L92-E126 HydrophobicContact CD2-CB 4.07Å; M95-E126 HydrophobicContact CE-CB 4.47Å; M95-E126 HydrophobicContact SD-CB 4.43Å; A122-E126 PolarHBondContact O-N 3.47Å
127	E	92.3	Very high	94.6	Very high	41 Å²	41	38.5 Å²	38.5	19%	0.192	19%	0.19	C	C	.	.			trans	-99.3	125.7	-176.5	-58.9	-60.1	145.2	0	0	112.2	L92 N123 R191	L92-E127 HydrophobicContact CD1-CG 4.35Å; N123-E127 WeakPolarHBondContact O-CB 3.37Å; N123-E127 PolarHBondContact O-N 3.39Å; E127-R191 VanDerWaalsContact CD-NH1 3.26Å; E127-R191 IonicContact OE1-CZ 2.66Å; E127-R191 VanDerWaalsContact OE1-CZ 3.28Å; E127-R191 IonicContact OE1-NH1 3.25Å; E127-R191 PolarHBondContact OE1-NH1 3.4Å; E127-R191 IonicContact OE1-NH2 2.92Å; E127-R191 PolarHBondContact OE1-NH2 3.37Å; E127-R191 IonicContact OE2-CZ 2.66Å; E127-R191 IonicContact OE2-NH1 2.75Å; E127-R191 PolarHBondContact OE2-NH1 3.44Å; E127-R191 IonicContact OE2-NH2 3.28Å
128	D	89.3	Confident	94.5	Very high	141 Å²	141	38.4 Å²	38.4	75%	0.754	19%	0.19	S	C	*	.	S	Bend	trans	-72.3	-30.5	170.8	-68.7	-28	0	0	0	111.7	E130	D128-E130 PolarHBondContact O-N 3.27Å
129	E	86.1	Confident	94.4	Very high	70 Å²	70	39.1 Å²	39.1	33%	0.327	19%	0.193	S	C	.	.			trans	-76.3	90.9	178.8	-171.2	-179.6	-130.2	0	0	110.6	K86 E131 S132	K86-E129 IonicContact NZ-OE1 3.69Å; K86-E129 PolarHBondContact NZ-OE1 2.85Å; K86-E129 IonicContact NZ-OE2 2.78Å; K86-E129 PolarHBondContact NZ-OE2 2.84Å; E129-E131 VanDerWaalsContact C-N 3.34Å; E129-E131 PolarHBondContact O-N 2.71Å; E129-S132 PolarHBondContact OE2-OG 3.15Å
130	E	84.7	Confident	94.4	Very high	107 Å²	107	40.4 Å²	40.4	50%	0.5	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.6	-174	172.5	144	-117.8	0	0	114.2	D128 S132 K133 Y134	D128-E130 PolarHBondContact O-N 3.27Å; E130-S132 PolarHBondContact O-N 3.19Å; E130-K133 WeakPolarHBondContact O-CE 3.47Å; E130-K133 WeakPolarHBondContact O-CG 3.49Å; E130-K133 IonicContact OE1-NZ 2.74Å; E130-K133 PolarHBondContact OE1-NZ 3.39Å; E130-Y134 HydrophobicContact CG-CE2 4.23Å; E130-Y134 VanDerWaalsContact CG-OH 3.27Å; E130-Y134 WeakPolarHBondContact CG-OH 3.36Å
131	E	87.8	Confident	94.3	Very high	88 Å²	88	41.5 Å²	41.5	41%	0.411	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-36.9	-173.4	-64.7	-175.8	-178.4	0	0	113.5	E129 K133 Y134	E129-E131 VanDerWaalsContact C-N 3.34Å; E129-E131 PolarHBondContact O-N 2.71Å; E131-K133 VanDerWaalsContact C-N 3.29Å; E131-K133 PolarHBondContact O-N 3.05Å; E131-Y134 WeakPolarHBondContact O-CB 3.49Å; E131-Y134 WeakPolarHBondContact O-CD2 3.13Å; E131-Y134 PolarHBondContact O-N 3.21Å; E131-Y134 VanDerWaalsContact O-N 3.09Å
132	S	90.1	Very high	94.1	Very high	24 Å²	24	43 Å²	43	17%	0.168	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-56.8	-44	-173.3	-77.3	0	0	0	0	111.3	E129 E130 Y134 E135	E129-S132 PolarHBondContact OE2-OG 3.15Å; E130-S132 PolarHBondContact O-N 3.19Å; S132-Y134 PolarHBondContact O-N 3.44Å; S132-Y134 VanDerWaalsContact O-N 3.09Å; S132-E135 WeakPolarHBondContact O-CB 3.47Å; S132-E135 PolarHBondContact O-N 3.21Å; S132-E135 VanDerWaalsContact O-N 3.09Å
133	K	93.5	Very high	93.8	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.043	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-64.1	-18.6	-176.9	79.3	-158.6	174	-166.8	0	114	Y120 N123 E130 E131 E135 I136	Y120-K133 HydrophobicContact CD2-CB 4.44Å; Y120-K133 HydrophobicContact CD2-CG 4.33Å; Y120-K133 HydrophobicContact CE1-CD 4.38Å; Y120-K133 HydrophobicContact CE2-CB 4.28Å; Y120-K133 HydrophobicContact CE2-CD 4.43Å; Y120-K133 HydrophobicContact CE2-CG 3.74Å; N123-K133 HydrophobicContact CB-CB 3.75Å; N123-K133 HydrophobicContact CB-CD 4.47Å; E130-K133 WeakPolarHBondContact O-CE 3.47Å; E130-K133 WeakPolarHBondContact O-CG 3.49Å; E130-K133 IonicContact OE1-NZ 2.74Å; E130-K133 PolarHBondContact OE1-NZ 3.39Å; E131-K133 VanDerWaalsContact C-N 3.29Å; E131-K133 PolarHBondContact O-N 3.05Å; K133-E135 PolarHBondContact O-N 2.74Å; K133-I136 HydrophobicContact CB-CD1 4.49Å; K133-I136 VanDerWaalsContact O-CB 3.28Å; K133-I136 WeakPolarHBondContact O-CB 3.49Å; K133-I136 WeakPolarHBondContact O-CG1 3.31Å; K133-I136 PolarHBondContact O-N 2.9Å
134	Y	94.7	Very high	93.6	Very high	29 Å²	29	57.7 Å²	57.7	11%	0.114	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67.8	-20.4	176.5	-58.9	-35.1	0	0	0	112.8	Y120 E130 E131 S132 I136 F137 P211	Y120-Y134 HydrophobicContact CE2-CD1 4.37Å; Y120-Y134 VanDerWaalsContact OH-CE1 3.31Å; Y120-Y134 WeakPolarHBondContact OH-CE1 3.39Å; E130-Y134 HydrophobicContact CG-CE2 4.23Å; E130-Y134 VanDerWaalsContact CG-OH 3.27Å; E130-Y134 WeakPolarHBondContact CG-OH 3.36Å; E131-Y134 WeakPolarHBondContact O-CB 3.49Å; E131-Y134 WeakPolarHBondContact O-CD2 3.13Å; E131-Y134 PolarHBondContact O-N 3.21Å; E131-Y134 VanDerWaalsContact O-N 3.09Å; S132-Y134 PolarHBondContact O-N 3.44Å; S132-Y134 VanDerWaalsContact O-N 3.09Å; Y134-I136 PolarHBondContact O-N 2.6Å; Y134-I136 VanDerWaalsContact O-N 3.09Å; Y134-F137 HydrophobicContact CD1-CD2 4.3Å; Y134-F137 AromaticContact CD1-CE2 3.47Å; Y134-F137 HydrophobicContact CD1-CE2 3.47Å; Y134-F137 VanDerWaalsContact CD1-CE2 3.47Å; Y134-F137 HydrophobicContact CD1-CZ 4.11Å; Y134-F137 HydrophobicContact CE1-CE2 4.24Å; Y134-F137 HydrophobicContact CG-CE2 4.16Å; Y134-F137 WeakPolarHBondContact O-CD2 3.29Å; Y134-F137 PolarHBondContact O-N 2.97Å; Y134-F137 VanDerWaalsContact O-N 3.13Å; Y134-P211 WeakPolarHBondContact O-CG 3.48Å
135	E	95.1	Very high	93.6	Very high	35 Å²	35	56.7 Å²	56.7	16%	0.164	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-59.7	-14.9	168.5	-74.5	-69.5	173.6	0	0	112.7	M87 S132 K133 P138 W139 P211 R212 G213	M87-E135 HydrophobicContact CE-CB 3.73Å; M87-E135 HydrophobicContact CE-CG 4.36Å; M87-E135 HydrophobicContact SD-CB 3.78Å; S132-E135 WeakPolarHBondContact O-CB 3.47Å; S132-E135 PolarHBondContact O-N 3.21Å; S132-E135 VanDerWaalsContact O-N 3.09Å; K133-E135 PolarHBondContact O-N 2.74Å; E135-P138 WeakPolarHBondContact O-CD 3.39Å; E135-W139 PolarHBondContact O-NE1 2.91Å; E135-P211 WeakPolarHBondContact OE1-CA 3.44Å; E135-R212 WeakPolarHBondContact OE1-CG 3.43Å; E135-R212 PolarHBondContact OE1-N 3.29Å; E135-R212 PolarHBondContact OE2-N 2.77Å; E135-G213 PolarHBondContact OE2-N 3.15Å; E135-G213 VanDerWaalsContact OE2-N 3.16Å
136	I	97.4	Very high	93.5	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-71.3	-32.6	175.4	-65.8	169.8	0	0	0	111.8	F78 M87 F116 L119 Y120 K133 Y134 W139 A140 F152	F78-I136 HydrophobicContact CE2-CG1 4.21Å; F78-I136 HydrophobicContact CZ-CG1 3.88Å; M87-I136 HydrophobicContact SD-CG1 4.31Å; F116-I136 HydrophobicContact CB-CG2 3.94Å; F116-I136 HydrophobicContact CD1-CG2 3.78Å; F116-I136 HydrophobicContact CG-CG2 4.19Å; L119-I136 HydrophobicContact CD2-CD1 4.37Å; L119-I136 HydrophobicContact CG-CD1 4.26Å; Y120-I136 HydrophobicContact CD2-CB 4.13Å; Y120-I136 HydrophobicContact CD2-CD1 3.98Å; Y120-I136 HydrophobicContact CD2-CG2 4.34Å; Y120-I136 HydrophobicContact CG-CD1 4.43Å; K133-I136 HydrophobicContact CB-CD1 4.49Å; K133-I136 VanDerWaalsContact O-CB 3.28Å; K133-I136 WeakPolarHBondContact O-CB 3.49Å; K133-I136 WeakPolarHBondContact O-CG1 3.31Å; K133-I136 PolarHBondContact O-N 2.9Å; Y134-I136 PolarHBondContact O-N 2.6Å; Y134-I136 VanDerWaalsContact O-N 3.09Å; I136-W139 PolarHBondContact O-N 3.16Å; I136-A140 HydrophobicContact CG2-CB 4.33Å; I136-A140 WeakPolarHBondContact O-CB 3.41Å; I136-A140 PolarHBondContact O-N 2.82Å; I136-F152 HydrophobicContact CG2-CZ 4.34Å
137	F	97.4	Very high	93.5	Very high	6 Å²	6	64.8 Å²	64.8	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-47.7	-170.8	-61.6	-50.7	0	0	0	114.2	Y120 Y134 W139 A140 L141 W145 F149 F152 L153	Y120-F137 HydrophobicContact CD2-CE1 4.15Å; Y120-F137 HydrophobicContact CD2-CZ 4.45Å; Y120-F137 HydrophobicContact CE2-CD1 4.36Å; Y120-F137 AromaticContact CE2-CE1 3.58Å; Y120-F137 HydrophobicContact CE2-CE1 3.58Å; Y120-F137 HydrophobicContact CE2-CE2 4.15Å; Y120-F137 AromaticContact CE2-CZ 3.46Å; Y120-F137 HydrophobicContact CE2-CZ 3.46Å; Y120-F137 VanDerWaalsContact CE2-CZ 3.46Å; Y120-F137 AromaticContact CZ-CZ 3.66Å; Y120-F137 WeakPolarHBondContact OH-CZ 3.43Å; Y134-F137 HydrophobicContact CD1-CD2 4.3Å; Y134-F137 AromaticContact CD1-CE2 3.47Å; Y134-F137 HydrophobicContact CD1-CE2 3.47Å; Y134-F137 VanDerWaalsContact CD1-CE2 3.47Å; Y134-F137 HydrophobicContact CD1-CZ 4.11Å; Y134-F137 HydrophobicContact CE1-CE2 4.24Å; Y134-F137 HydrophobicContact CG-CE2 4.16Å; Y134-F137 WeakPolarHBondContact O-CD2 3.29Å; Y134-F137 PolarHBondContact O-N 2.97Å; Y134-F137 VanDerWaalsContact O-N 3.13Å; F137-W139 PolarHBondContact O-N 3.48Å; F137-A140 PolarHBondContact O-N 2.85Å; F137-L141 HydrophobicContact CB-CD1 4.38Å; F137-L141 HydrophobicContact CD1-CD1 4.24Å; F137-L141 VanDerWaalsContact O-CB 3.3Å; F137-L141 WeakPolarHBondContact O-CB 3.45Å; F137-L141 PolarHBondContact O-N 3.09Å; F137-W145 HydrophobicContact CB-CB 4.12Å; F137-W145 HydrophobicContact CB-CD2 3.96Å; F137-W145 HydrophobicContact CB-CE3 3.53Å; F137-W145 HydrophobicContact CB-CG 4.25Å; F137-W145 HydrophobicContact CB-CZ3 4.21Å; F137-W145 HydrophobicContact CD2-CE3 4.02Å; F137-W145 AromaticContact CD2-CZ3 3.91Å; F137-W145 HydrophobicContact CD2-CZ3 3.91Å; F137-W145 HydrophobicContact CG-CE3 4.1Å; F137-W145 HydrophobicContact CG-CZ3 4.46Å; F137-W145 WeakPolarHBondContact O-CB 3.45Å; F137-F149 HydrophobicContact CD1-CB 3.8Å; F137-F149 HydrophobicContact CD2-CB 4.29Å; F137-F149 HydrophobicContact CE1-CB 3.86Å; F137-F149 HydrophobicContact CE1-CD2 4.42Å; F137-F149 HydrophobicContact CE2-CB 4.31Å; F137-F149 HydrophobicContact CE2-CD2 4.15Å; F137-F149 HydrophobicContact CE2-CG 4.44Å; F137-F149 HydrophobicContact CG-CB 4.02Å; F137-F149 HydrophobicContact CZ-CB 4.11Å; F137-F149 AromaticContact CZ-CD2 3.93Å; F137-F149 HydrophobicContact CZ-CD2 3.93Å; F137-F149 HydrophobicContact CZ-CG 4.39Å; F137-F152 HydrophobicContact CD1-CD1 4.07Å; F137-F152 HydrophobicContact CD1-CE1 4.29Å; F137-F152 AromaticContact CE1-CD1 3.68Å; F137-F152 HydrophobicContact CE1-CD1 3.68Å; F137-F152 AromaticContact CE1-CE1 3.97Å; F137-F152 HydrophobicContact CE1-CE1 3.97Å; F137-F152 HydrophobicContact CE1-CG 4.46Å; F137-L153 HydrophobicContact CE1-CD2 4.23Å; F137-L153 HydrophobicContact CZ-CD2 4.12Å; F137-L153 HydrophobicContact CZ-CG 4.44Å
138	P	96.9	Very high	93.7	Very high	7 Å²	7	67 Å²	67	5%	0.045	32%	0.317	C	S	.	.	H	α-helix	trans	-62.2	-29.7	179.9	-21.3	33.3	0	0	0	113.3	E135 G142 W145 P211	E135-P138 WeakPolarHBondContact O-CD 3.39Å; P138-G142 WeakPolarHBondContact O-CA 3.27Å; P138-G142 PolarHBondContact O-N 3.4Å; P138-W145 HydrophobicContact CB-CG 4.37Å; P138-W145 HydrophobicContact CG-CD2 4.25Å; P138-W145 HydrophobicContact CG-CG 4.18Å; P138-P211 HydrophobicContact CG-CB 3.56Å
139	W	97.4	Very high	94	Very high	15 Å²	15	60.9 Å²	60.9	6%	0.057	28%	0.284	C	S	.	.	H	α-helix	trans	-78.3	-41.4	178.9	-62.3	76.8	0	0	0	111.9	L74 D77 F78 M81 F116 E135 I136 F137 P214	L74-W139 HydrophobicContact CD2-CE3 4.18Å; L74-W139 HydrophobicContact CG-CE3 4.23Å; D77-W139 HydrophobicContact CB-CH2 3.98Å; D77-W139 HydrophobicContact CB-CZ3 3.71Å; F78-W139 HydrophobicContact CB-CD2 3.8Å; F78-W139 HydrophobicContact CB-CE3 3.57Å; F78-W139 HydrophobicContact CB-CG 4.39Å; F78-W139 HydrophobicContact CB-CH2 4.4Å; F78-W139 HydrophobicContact CB-CZ3 3.9Å; F78-W139 HydrophobicContact CD2-CB 4.27Å; F78-W139 AromaticContact CD2-CD1 3.77Å; F78-W139 AromaticContact CD2-CD2 3.68Å; F78-W139 HydrophobicContact CD2-CD2 3.68Å; F78-W139 AromaticContact CD2-CE2 3.84Å; F78-W139 HydrophobicContact CD2-CE3 4.36Å; F78-W139 AromaticContact CD2-CG 3.62Å; F78-W139 HydrophobicContact CD2-CG 3.62Å; F78-W139 AromaticContact CD2-NE1 3.82Å; F78-W139 HydrophobicContact CE2-CG 4.36Å; F78-W139 HydrophobicContact CG-CD2 4.17Å; F78-W139 HydrophobicContact CG-CE3 4.41Å; F78-W139 HydrophobicContact CG-CG 4.34Å; F78-W139 VanDerWaalsContact N-CZ3 3.26Å; M81-W139 HydrophobicContact CB-CH2 4.32Å; M81-W139 HydrophobicContact CB-CZ2 3.86Å; M81-W139 HydrophobicContact CE-CZ2 4.42Å; M81-W139 HydrophobicContact CG-CH2 3.68Å; M81-W139 HydrophobicContact CG-CZ2 3.49Å; M81-W139 VanDerWaalsContact CG-CZ2 3.49Å; F116-W139 HydrophobicContact CE1-CB 4.12Å; F116-W139 HydrophobicContact CE2-CB 4.47Å; F116-W139 HydrophobicContact CZ-CB 3.89Å; E135-W139 PolarHBondContact O-NE1 2.91Å; I136-W139 PolarHBondContact O-N 3.16Å; F137-W139 PolarHBondContact O-N 3.48Å; W139-P214 HydrophobicContact CD2-CB 4.31Å; W139-P214 HydrophobicContact CD2-CG 3.69Å; W139-P214 HydrophobicContact CE3-CB 4.04Å; W139-P214 HydrophobicContact CE3-CG 3.75Å; W139-P214 HydrophobicContact CG-CG 4.12Å; W139-P214 HydrophobicContact CH2-CB 3.88Å; W139-P214 HydrophobicContact CH2-CG 4.33Å; W139-P214 VanDerWaalsContact CZ2-CA 3.42Å; W139-P214 HydrophobicContact CZ2-CB 4.12Å; W139-P214 HydrophobicContact CZ2-CG 4.25Å; W139-P214 HydrophobicContact CZ3-CB 3.82Å; W139-P214 HydrophobicContact CZ3-CG 4.07Å
140	A	97.6	Very high	94.5	Very high	26 Å²	26	59.6 Å²	59.6	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-75.7	-33.1	-179.1	0	0	0	0	0	113.1	F116 I136 F137 F152	F116-A140 HydrophobicContact CB-CB 3.69Å; F116-A140 HydrophobicContact CD2-CB 3.79Å; F116-A140 HydrophobicContact CG-CB 3.79Å; I136-A140 HydrophobicContact CG2-CB 4.33Å; I136-A140 WeakPolarHBondContact O-CB 3.41Å; I136-A140 PolarHBondContact O-N 2.82Å; F137-A140 PolarHBondContact O-N 2.85Å; A140-F152 HydrophobicContact CB-CD2 4.41Å; A140-F152 HydrophobicContact CB-CE2 3.81Å; A140-F152 HydrophobicContact CB-CZ 4.49Å
141	L	96.8	Very high	95.2	Very high	29 Å²	29	63.1 Å²	63.1	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-119.2	-7.4	-167.6	-54.7	173.3	0	0	0	113.9	F137 W145 Q148 F149 F152	F137-L141 HydrophobicContact CB-CD1 4.38Å; F137-L141 HydrophobicContact CD1-CD1 4.24Å; F137-L141 VanDerWaalsContact O-CB 3.3Å; F137-L141 WeakPolarHBondContact O-CB 3.45Å; F137-L141 PolarHBondContact O-N 3.09Å; L141-W145 HydrophobicContact CB-CB 3.67Å; L141-W145 HydrophobicContact CD1-CB 4.17Å; L141-Q148 HydrophobicContact CB-CB 4.37Å; L141-Q148 HydrophobicContact CD1-CB 4.03Å; L141-Q148 HydrophobicContact CD2-CB 4.32Å; L141-Q148 HydrophobicContact CG-CB 4.49Å; L141-Q148 PolarHBondContact O-NE2 3Å; L141-F149 HydrophobicContact CD1-CB 3.96Å; L141-F152 HydrophobicContact CD1-CB 3.94Å; L141-F152 HydrophobicContact CD1-CD2 4.44Å; L141-F152 HydrophobicContact CD1-CG 4.33Å; L141-F152 HydrophobicContact CD2-CB 4.2Å; L141-F152 HydrophobicContact CD2-CD2 3.92Å; L141-F152 HydrophobicContact CD2-CG 4.45Å; L141-F152 HydrophobicContact CG-CD2 4.31Å
142	G	95.2	Very high	95.7	Very high	34 Å²	34	59 Å²	59	35%	0.351	27%	0.271	S	S	.	.			trans	72.2	-161	-179.4	0	0	0	0	0	113.9	P138 N144 W145	P138-G142 WeakPolarHBondContact O-CA 3.27Å; P138-G142 PolarHBondContact O-N 3.4Å; G142-N144 PolarHBondContact O-N 3.23Å; G142-N144 VanDerWaalsContact O-N 3.12Å; G142-W145 VanDerWaalsContact O-CB 3.3Å; G142-W145 WeakPolarHBondContact O-CB 3.43Å; G142-W145 PolarHBondContact O-N 2.76Å; G142-W145 VanDerWaalsContact O-N 3.07Å
143	K	92.3	Very high	96.1	Very high	199 Å²	199	59.4 Å²	59.4	87%	0.865	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.2	-172.9	-62.6	-178.6	-179.7	-179.7	0	114	W145	K143-W145 VanDerWaalsContact C-N 3.29Å; K143-W145 PolarHBondContact O-N 3.41Å
144	N	94.1	Very high	96.3	Very high	110 Å²	110	65.4 Å²	65.4	59%	0.588	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	23	-178.8	-66.5	-23.9	0	0	0	113	G142 R146 R147 Q148	G142-N144 PolarHBondContact O-N 3.23Å; G142-N144 VanDerWaalsContact O-N 3.12Å; N144-R146 PolarHBondContact O-N 3.31Å; N144-R147 PolarHBondContact O-N 3.17Å; N144-Q148 PolarHBondContact O-N 3.2Å; N144-Q148 PolarHBondContact O-NE2 3.37Å
145	W	95.4	Very high	96.5	Very high	23 Å²	23	65.7 Å²	65.7	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-56.8	-36.6	-175.7	68.2	-93.8	0	0	0	113.2	F137 P138 L141 G142 K143 R147 Q148 F149 P211	F137-W145 HydrophobicContact CB-CB 4.12Å; F137-W145 HydrophobicContact CB-CD2 3.96Å; F137-W145 HydrophobicContact CB-CE3 3.53Å; F137-W145 HydrophobicContact CB-CG 4.25Å; F137-W145 HydrophobicContact CB-CZ3 4.21Å; F137-W145 HydrophobicContact CD2-CE3 4.02Å; F137-W145 AromaticContact CD2-CZ3 3.91Å; F137-W145 HydrophobicContact CD2-CZ3 3.91Å; F137-W145 HydrophobicContact CG-CE3 4.1Å; F137-W145 HydrophobicContact CG-CZ3 4.46Å; F137-W145 WeakPolarHBondContact O-CB 3.45Å; P138-W145 HydrophobicContact CB-CG 4.37Å; P138-W145 HydrophobicContact CG-CD2 4.25Å; P138-W145 HydrophobicContact CG-CG 4.18Å; L141-W145 HydrophobicContact CB-CB 3.67Å; L141-W145 HydrophobicContact CD1-CB 4.17Å; G142-W145 VanDerWaalsContact O-CB 3.3Å; G142-W145 WeakPolarHBondContact O-CB 3.43Å; G142-W145 PolarHBondContact O-N 2.76Å; G142-W145 VanDerWaalsContact O-N 3.07Å; K143-W145 VanDerWaalsContact C-N 3.29Å; K143-W145 PolarHBondContact O-N 3.41Å; W145-R147 PolarHBondContact O-N 2.94Å; W145-R147 VanDerWaalsContact O-N 3.13Å; W145-Q148 CarbonylContact O-C 3.6Å; W145-Q148 PolarHBondContact O-N 3.15Å; W145-F149 PolarHBondContact O-N 2.83Å; W145-P211 HydrophobicContact CH2-CB 4.34Å; W145-P211 HydrophobicContact CH2-CG 3.8Å; W145-P211 HydrophobicContact CZ2-CB 4.05Å; W145-P211 HydrophobicContact CZ2-CG 4.01Å
146	R	94.3	Very high	96.6	Very high	140 Å²	140	66 Å²	66	53%	0.528	30%	0.299	S	S	.	.	H	α-helix	trans	-58.2	-29.4	-179.4	-64.3	-173.7	-178.6	-154.3	0.1	113.7	N144 F149	N144-R146 PolarHBondContact O-N 3.31Å; R146-F149 VanDerWaalsContact O-CD1 3.22Å; R146-F149 WeakPolarHBondContact O-CD1 3.34Å; R146-F149 WeakPolarHBondContact O-CE1 3.36Å
147	R	95.7	Very high	96.7	Very high	226 Å²	226	69.1 Å²	69.1	85%	0.853	32%	0.316	S	S	*	.	H	α-helix	trans	-89.9	-17	176.8	-64.4	-175.7	178.9	-172.7	-0.5	112.9	N144 W145	N144-R147 PolarHBondContact O-N 3.17Å; W145-R147 PolarHBondContact O-N 2.94Å; W145-R147 VanDerWaalsContact O-N 3.13Å
148	Q	95.8	Very high	96.7	Very high	87 Å²	87	73.8 Å²	73.8	41%	0.407	34%	0.338	S	S	.	.	H	α-helix	trans	-107.6	-19.9	-170.8	-68.7	-178.1	83.1	0	0	113.4	L141 N144 W145 P150 R151 F152	L141-Q148 HydrophobicContact CB-CB 4.37Å; L141-Q148 HydrophobicContact CD1-CB 4.03Å; L141-Q148 HydrophobicContact CD2-CB 4.32Å; L141-Q148 HydrophobicContact CG-CB 4.49Å; L141-Q148 PolarHBondContact O-NE2 3Å; N144-Q148 PolarHBondContact O-N 3.2Å; N144-Q148 PolarHBondContact O-NE2 3.37Å; W145-Q148 CarbonylContact O-C 3.6Å; W145-Q148 PolarHBondContact O-N 3.15Å; Q148-P150 VanDerWaalsContact C-N 3.33Å; Q148-R151 WeakPolarHBondContact O-CB 3.28Å; Q148-R151 PolarHBondContact O-N 3.19Å; Q148-R151 VanDerWaalsContact O-N 3.15Å; Q148-F152 PolarHBondContact O-N 3.47Å; Q148-F152 VanDerWaalsContact O-N 3.13Å
149	F	95.9	Very high	96.8	Very high	13 Å²	13	73.9 Å²	73.9	6%	0.057	34%	0.338	C	S	.	.	H	α-helix	trans	-60.9	-29.4	-177	89.8	-75.1	0	0	0	114.1	F137 L141 W145 R146 R151 F152 L153 W302	F137-F149 HydrophobicContact CD1-CB 3.8Å; F137-F149 HydrophobicContact CD2-CB 4.29Å; F137-F149 HydrophobicContact CE1-CB 3.86Å; F137-F149 HydrophobicContact CE1-CD2 4.42Å; F137-F149 HydrophobicContact CE2-CB 4.31Å; F137-F149 HydrophobicContact CE2-CD2 4.15Å; F137-F149 HydrophobicContact CE2-CG 4.44Å; F137-F149 HydrophobicContact CG-CB 4.02Å; F137-F149 HydrophobicContact CZ-CB 4.11Å; F137-F149 AromaticContact CZ-CD2 3.93Å; F137-F149 HydrophobicContact CZ-CD2 3.93Å; F137-F149 HydrophobicContact CZ-CG 4.39Å; L141-F149 HydrophobicContact CD1-CB 3.96Å; W145-F149 PolarHBondContact O-N 2.83Å; R146-F149 VanDerWaalsContact O-CD1 3.22Å; R146-F149 WeakPolarHBondContact O-CD1 3.34Å; R146-F149 WeakPolarHBondContact O-CE1 3.36Å; F149-R151 VanDerWaalsContact C-N 3.28Å; F149-R151 PolarHBondContact O-N 3.33Å; F149-F152 WeakPolarHBondContact O-CB 3.47Å; F149-F152 PolarHBondContact O-N 3.13Å; F149-F152 VanDerWaalsContact O-N 3.11Å; F149-L153 HydrophobicContact CD2-CD1 3.8Å; F149-L153 HydrophobicContact CD2-CG 4.29Å; F149-L153 HydrophobicContact CE2-CD1 3.84Å; F149-L153 WeakPolarHBondContact O-CG 3.48Å; F149-L153 PolarHBondContact O-N 3.02Å; F149-W302 AromaticContact CD1-CH2 3.88Å; F149-W302 HydrophobicContact CD1-CH2 3.88Å; F149-W302 HydrophobicContact CD1-CZ3 4.38Å; F149-W302 HydrophobicContact CE1-CE3 4.4Å; F149-W302 AromaticContact CE1-CH2 2.94Å; F149-W302 HydrophobicContact CE1-CH2 2.94Å; F149-W302 HydrophobicContact CE1-CZ2 4.11Å; F149-W302 AromaticContact CE1-CZ3 3.13Å; F149-W302 HydrophobicContact CE1-CZ3 3.13Å; F149-W302 AromaticContact CE2-CH2 3.96Å; F149-W302 HydrophobicContact CE2-CH2 3.96Å; F149-W302 HydrophobicContact CE2-CZ3 4.23Å; F149-W302 AromaticContact CZ-CE3 3.98Å; F149-W302 HydrophobicContact CZ-CE3 3.98Å; F149-W302 AromaticContact CZ-CH2 2.99Å; F149-W302 HydrophobicContact CZ-CH2 2.99Å; F149-W302 AromaticContact CZ-CZ2 3.91Å; F149-W302 HydrophobicContact CZ-CZ2 3.91Å; F149-W302 AromaticContact CZ-CZ3 3.02Å; F149-W302 HydrophobicContact CZ-CZ3 3.02Å
150	P	97.4	Very high	96.9	Very high	44 Å²	44	77.4 Å²	77.4	29%	0.286	35%	0.351	S	S	.	.	H	α-helix	trans	-63.8	-39.3	176.6	-17.9	32.8	0	0	0	111	Q148 F152 L153 K154 M306	Q148-P150 VanDerWaalsContact C-N 3.33Å; P150-F152 VanDerWaalsContact C-N 3.35Å; P150-L153 PolarHBondContact O-N 2.87Å; P150-K154 PolarHBondContact O-N 2.96Å; P150-M306 HydrophobicContact CB-CE 3.93Å
151	R	98	Very high	96.9	Very high	181 Å²	181	78 Å²	78	68%	0.683	36%	0.356	S	S	*	.	H	α-helix	trans	-66.7	-37.7	175.1	-174.3	-180	-179	-176.9	2.1	111.6	Q148 F149 K154 Q155	Q148-R151 WeakPolarHBondContact O-CB 3.28Å; Q148-R151 PolarHBondContact O-N 3.19Å; Q148-R151 VanDerWaalsContact O-N 3.15Å; F149-R151 VanDerWaalsContact C-N 3.28Å; F149-R151 PolarHBondContact O-N 3.33Å; R151-K154 PolarHBondContact O-N 3.49Å; R151-Q155 VanDerWaalsContact O-CG 3.3Å; R151-Q155 WeakPolarHBondContact O-CG 3.39Å; R151-Q155 PolarHBondContact O-N 3.43Å
152	F	98.1	Very high	96.9	Very high	1 Å²	1	81.9 Å²	81.9	0%	0.004	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-44	174.6	178.7	-83.7	0	0	0	111.5	F116 M117 Y120 I136 F137 A140 L141 Q148 F149 P150 Q155 R156	F116-F152 HydrophobicContact CB-CE2 4.33Å; F116-F152 HydrophobicContact CB-CZ 4.41Å; M117-F152 HydrophobicContact CB-CE2 4.37Å; M117-F152 HydrophobicContact CB-CZ 4.25Å; M117-F152 HydrophobicContact CG-CD2 3.83Å; M117-F152 HydrophobicContact CG-CE1 4.3Å; M117-F152 HydrophobicContact CG-CE2 3.37Å; M117-F152 HydrophobicContact CG-CG 4.49Å; M117-F152 HydrophobicContact CG-CZ 3.65Å; Y120-F152 HydrophobicContact CD1-CE1 4.36Å; Y120-F152 AromaticContact CD2-CE1 3.99Å; Y120-F152 HydrophobicContact CD2-CE1 3.99Å; Y120-F152 AromaticContact CG-CE1 3.83Å; Y120-F152 HydrophobicContact CG-CE1 3.83Å; Y120-F152 HydrophobicContact CG-CZ 4.46Å; I136-F152 HydrophobicContact CG2-CZ 4.34Å; F137-F152 HydrophobicContact CD1-CD1 4.07Å; F137-F152 HydrophobicContact CD1-CE1 4.29Å; F137-F152 AromaticContact CE1-CD1 3.68Å; F137-F152 HydrophobicContact CE1-CD1 3.68Å; F137-F152 AromaticContact CE1-CE1 3.97Å; F137-F152 HydrophobicContact CE1-CE1 3.97Å; F137-F152 HydrophobicContact CE1-CG 4.46Å; A140-F152 HydrophobicContact CB-CD2 4.41Å; A140-F152 HydrophobicContact CB-CE2 3.81Å; A140-F152 HydrophobicContact CB-CZ 4.49Å; L141-F152 HydrophobicContact CD1-CB 3.94Å; L141-F152 HydrophobicContact CD1-CD2 4.44Å; L141-F152 HydrophobicContact CD1-CG 4.33Å; L141-F152 HydrophobicContact CD2-CB 4.2Å; L141-F152 HydrophobicContact CD2-CD2 3.92Å; L141-F152 HydrophobicContact CD2-CG 4.45Å; L141-F152 HydrophobicContact CG-CD2 4.31Å; Q148-F152 PolarHBondContact O-N 3.47Å; Q148-F152 VanDerWaalsContact O-N 3.13Å; F149-F152 WeakPolarHBondContact O-CB 3.47Å; F149-F152 PolarHBondContact O-N 3.13Å; F149-F152 VanDerWaalsContact O-N 3.11Å; P150-F152 VanDerWaalsContact C-N 3.35Å; F152-Q155 PolarHBondContact O-N 3.09Å; F152-Q155 VanDerWaalsContact O-N 3.16Å; F152-R156 PolarHBondContact O-N 3.04Å
153	L	98.2	Very high	97	Very high	32 Å²	32	80.3 Å²	80.3	17%	0.168	35%	0.352	C	S	.	.	H	α-helix	trans	-63.9	-41.6	177.3	-67.9	179.3	0	0	0	111.8	Y120 F137 F149 P150 Q155 R156 D157	Y120-L153 HydrophobicContact CD1-CD2 4.35Å; Y120-L153 HydrophobicContact CE1-CD2 3.57Å; F137-L153 HydrophobicContact CE1-CD2 4.23Å; F137-L153 HydrophobicContact CZ-CD2 4.12Å; F137-L153 HydrophobicContact CZ-CG 4.44Å; F149-L153 HydrophobicContact CD2-CD1 3.8Å; F149-L153 HydrophobicContact CD2-CG 4.29Å; F149-L153 HydrophobicContact CE2-CD1 3.84Å; F149-L153 WeakPolarHBondContact O-CG 3.48Å; F149-L153 PolarHBondContact O-N 3.02Å; P150-L153 PolarHBondContact O-N 2.87Å; L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 2.97Å; L153-R156 WeakPolarHBondContact O-CB 3.39Å; L153-R156 PolarHBondContact O-N 2.92Å; L153-R156 VanDerWaalsContact O-N 3.15Å; L153-D157 PolarHBondContact O-N 2.89Å
154	K	98.4	Very high	97.2	Very high	136 Å²	136	72.2 Å²	72.2	59%	0.591	32%	0.32	S	S	*	.	H	α-helix	trans	-57.2	-41.9	172.1	-175.3	176.1	178.2	175.2	0	112.1	P150 R151 D157 E158	P150-K154 PolarHBondContact O-N 2.96Å; R151-K154 PolarHBondContact O-N 3.49Å; K154-D157 PolarHBondContact O-N 3.19Å; K154-E158 WeakPolarHBondContact O-CG 3.45Å; K154-E158 PolarHBondContact O-N 2.82Å
155	Q	98.4	Very high	97.4	Very high	35 Å²	35	73.6 Å²	73.6	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-71.7	-31.3	178.4	-69.7	174.3	-38.5	0	0	113	M117 R151 F152 L153 D157 E158 L159	M117-Q155 HydrophobicContact SD-CB 3.4Å; M117-Q155 WeakPolarHBondContact SD-CB 3.38Å; R151-Q155 VanDerWaalsContact O-CG 3.3Å; R151-Q155 WeakPolarHBondContact O-CG 3.39Å; R151-Q155 PolarHBondContact O-N 3.43Å; F152-Q155 PolarHBondContact O-N 3.09Å; F152-Q155 VanDerWaalsContact O-N 3.16Å; L153-Q155 VanDerWaalsContact C-N 3.27Å; L153-Q155 PolarHBondContact O-N 2.97Å; Q155-D157 VanDerWaalsContact C-N 3.3Å; Q155-E158 PolarHBondContact O-N 3.31Å; Q155-L159 PolarHBondContact O-N 2.8Å
156	R	98.4	Very high	97.4	Very high	43 Å²	43	77.9 Å²	77.9	16%	0.162	33%	0.334	C	S	.	.	H	α-helix	trans	-60.9	-42.1	167.7	175.8	-146.9	66.4	-173.4	-10.1	110.5	Y120 L121 F152 L153 L159 W160	Y120-R156 HydrophobicContact CD1-CG 4.42Å; L121-R156 HydrophobicContact CB-CG 4.06Å; L121-R156 HydrophobicContact CD1-CG 4.29Å; F152-R156 PolarHBondContact O-N 3.04Å; L153-R156 WeakPolarHBondContact O-CB 3.39Å; L153-R156 PolarHBondContact O-N 2.92Å; L153-R156 VanDerWaalsContact O-N 3.15Å; R156-L159 WeakPolarHBondContact O-CB 3.46Å; R156-L159 PolarHBondContact O-N 3.49Å; R156-W160 PolarHBondContact O-N 3.43Å
157	D	98.5	Very high	97.6	Very high	64 Å²	64	71.2 Å²	71.2	34%	0.342	31%	0.309	S	S	.	.	H	α-helix	trans	-69.4	-37.1	179.2	-62.9	-20.2	0	0	0	111.8	L153 K154 Q155 L159 W160 A161	L153-D157 PolarHBondContact O-N 2.89Å; K154-D157 PolarHBondContact O-N 3.19Å; Q155-D157 VanDerWaalsContact C-N 3.3Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 3.25Å; D157-W160 PolarHBondContact O-N 3.13Å; D157-A161 WeakPolarHBondContact O-CB 3.36Å; D157-A161 PolarHBondContact O-N 2.83Å
158	E	98.5	Very high	97.7	Very high	105 Å²	105	64.2 Å²	64.2	49%	0.491	30%	0.3	S	S	.	.	H	α-helix	trans	-59.6	-41.6	169.4	-70.4	165.6	-173.8	0	0	111.5	K154 Q155 R162	K154-E158 WeakPolarHBondContact O-CG 3.45Å; K154-E158 PolarHBondContact O-N 2.82Å; Q155-E158 PolarHBondContact O-N 3.31Å; E158-R162 VanDerWaalsContact O-CB 3.29Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 PolarHBondContact O-N 3.35Å
159	L	98.5	Very high	97.8	Very high	8 Å²	8	61 Å²	61	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-44	172.9	173	63	0	0	0	111.5	A103 F105 M117 A118 L121 Q155 R156 D157 A161 R162 I163	A103-L159 HydrophobicContact CB-CD1 3.88Å; F105-L159 HydrophobicContact CE1-CD1 4.49Å; F105-L159 HydrophobicContact CE2-CD1 4.28Å; F105-L159 HydrophobicContact CZ-CD1 3.75Å; M117-L159 HydrophobicContact CB-CD2 4.42Å; A118-L159 HydrophobicContact CB-CD2 3.88Å; L121-L159 HydrophobicContact CD2-CD2 4.45Å; L121-L159 HydrophobicContact CD2-CG 4.45Å; Q155-L159 PolarHBondContact O-N 2.8Å; R156-L159 WeakPolarHBondContact O-CB 3.46Å; R156-L159 PolarHBondContact O-N 3.49Å; D157-L159 VanDerWaalsContact C-N 3.32Å; D157-L159 PolarHBondContact O-N 3.25Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 3.21Å; L159-R162 WeakPolarHBondContact O-CB 3.27Å; L159-R162 PolarHBondContact O-N 2.79Å; L159-R162 VanDerWaalsContact O-N 3.16Å; L159-I163 HydrophobicContact CD1-CG2 4.24Å; L159-I163 PolarHBondContact O-N 2.62Å
160	W	98.6	Very high	97.8	Very high	90 Å²	90	63.8 Å²	63.8	34%	0.341	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-42.8	179.5	-174	31.4	0	0	0	111.7	L121 R156 D157 I163 Y165	L121-W160 HydrophobicContact CD1-CB 4.3Å; L121-W160 HydrophobicContact CD1-CG 4.28Å; L121-W160 HydrophobicContact CD2-CB 4.1Å; L121-W160 HydrophobicContact CD2-CG 4.47Å; R156-W160 PolarHBondContact O-N 3.43Å; D157-W160 PolarHBondContact O-N 3.13Å; W160-I163 WeakPolarHBondContact O-CG1 3.14Å; W160-I163 PolarHBondContact O-N 3.21Å; W160-Y165 AromaticContact CD2-CD1 3.69Å; W160-Y165 HydrophobicContact CD2-CD1 3.69Å; W160-Y165 HydrophobicContact CD2-CE1 4.39Å; W160-Y165 AromaticContact CE2-CD1 3.74Å; W160-Y165 HydrophobicContact CE3-CD1 4.02Å; W160-Y165 HydrophobicContact CE3-CE1 4.36Å; W160-Y165 HydrophobicContact CG-CD1 4.05Å; W160-Y165 HydrophobicContact CH2-CD1 4.42Å; W160-Y165 HydrophobicContact CZ2-CD1 4.12Å; W160-Y165 HydrophobicContact CZ3-CD1 4.37Å; W160-Y165 PolarHBondContact NE1-O 3.02Å; W160-Y165 WeakPolarHBondContact O-CA 3.48Å; W160-Y165 PolarHBondContact O-N 3.26Å
161	A	98.2	Very high	97.8	Very high	37 Å²	37	68.1 Å²	68.1	31%	0.306	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-42.5	171.8	0	0	0	0	0	111.9	D157 L159 I163 C164 Y165	D157-A161 WeakPolarHBondContact O-CB 3.36Å; D157-A161 PolarHBondContact O-N 2.83Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 3.21Å; A161-I163 VanDerWaalsContact C-N 3.27Å; A161-I163 PolarHBondContact O-N 2.85Å; A161-C164 WeakPolarHBondContact O-CA 3.22Å; A161-C164 PolarHBondContact O-N 2.92Å; A161-Y165 HydrophobicContact CB-CE1 3.89Å
162	R	97.9	Very high	97.8	Very high	112 Å²	112	62.6 Å²	62.6	42%	0.423	31%	0.311	S	S	.	.	H	α-helix	trans	-60.8	-34.2	177.9	-176.5	172.6	176.5	172.2	-5.1	112.7	A103 E109 E158 L159 C164	A103-R162 HydrophobicContact CB-CG 4.14Å; A103-R162 VanDerWaalsContact O-CZ 3.29Å; A103-R162 PolarHBondContact O-NE 2.91Å; A103-R162 PolarHBondContact O-NH2 3.35Å; A103-R162 VanDerWaalsContact O-NH2 3.09Å; E109-R162 IonicContact OE1-CZ 2.68Å; E109-R162 VanDerWaalsContact OE1-CZ 3.28Å; E109-R162 IonicContact OE1-NH1 3Å; E109-R162 PolarHBondContact OE1-NH1 3.5Å; E109-R162 IonicContact OE1-NH2 2.73Å; E109-R162 PolarHBondContact OE1-NH2 2.92Å; E109-R162 IonicContact OE2-NH2 3.65Å; E158-R162 VanDerWaalsContact O-CB 3.29Å; E158-R162 WeakPolarHBondContact O-CB 3.44Å; E158-R162 PolarHBondContact O-N 3.35Å; L159-R162 WeakPolarHBondContact O-CB 3.27Å; L159-R162 PolarHBondContact O-N 2.79Å; L159-R162 VanDerWaalsContact O-N 3.16Å; R162-C164 PolarHBondContact O-N 3.03Å
163	I	97	Very high	97.8	Very high	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	18.6	172.4	68.8	174.8	0	0	0	113.2	Y99 R102 A103 L121 L159 W160 A161 Y165 R166 A167	Y99-I163 HydrophobicContact CD1-CD1 3.75Å; Y99-I163 HydrophobicContact CE1-CD1 4.04Å; Y99-I163 HydrophobicContact CG-CD1 4.24Å; R102-I163 HydrophobicContact CB-CB 3.87Å; R102-I163 HydrophobicContact CB-CG2 3.73Å; A103-I163 HydrophobicContact CB-CG2 3.8Å; L121-I163 HydrophobicContact CD2-CD1 3.97Å; L159-I163 HydrophobicContact CD1-CG2 4.24Å; L159-I163 PolarHBondContact O-N 2.62Å; W160-I163 WeakPolarHBondContact O-CG1 3.14Å; W160-I163 PolarHBondContact O-N 3.21Å; A161-I163 VanDerWaalsContact C-N 3.27Å; A161-I163 PolarHBondContact O-N 2.85Å; I163-Y165 PolarHBondContact O-N 3.19Å; I163-R166 WeakPolarHBondContact O-CB 3.33Å; I163-R166 PolarHBondContact O-N 2.96Å; I163-A167 HydrophobicContact CD1-CB 4.06Å
164	C	96.5	Very high	97.8	Very high	30 Å²	30	62.6 Å²	62.6	20%	0.203	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	33	178.3	-62.1	0	0	0	0	112.5	C49 A161 R162 R166	C49-C164 HydrophobicContact CB-CB 4.37Å; C49-C164 VanDerWaalsContact SG-CA 3.56Å; C49-C164 WeakPolarHBondContact SG-CB 3.36Å; C49-C164 PolarHBondContact SG-O 2.99Å; A161-C164 WeakPolarHBondContact O-CA 3.22Å; A161-C164 PolarHBondContact O-N 2.92Å; R162-C164 PolarHBondContact O-N 3.03Å; C164-R166 HydrophobicContact CB-CG 4.37Å; C164-R166 WeakPolarHBondContact O-CG 3.44Å; C164-R166 PolarHBondContact O-N 2.86Å
165	Y	97.3	Very high	97.8	Very high	138 Å²	138	60 Å²	60	54%	0.541	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	10	-173.9	-50.1	-78.4	0	0	0	115.1	W160 A161 I163 A167	W160-Y165 AromaticContact CD2-CD1 3.69Å; W160-Y165 HydrophobicContact CD2-CD1 3.69Å; W160-Y165 HydrophobicContact CD2-CE1 4.39Å; W160-Y165 AromaticContact CE2-CD1 3.74Å; W160-Y165 HydrophobicContact CE3-CD1 4.02Å; W160-Y165 HydrophobicContact CE3-CE1 4.36Å; W160-Y165 HydrophobicContact CG-CD1 4.05Å; W160-Y165 HydrophobicContact CH2-CD1 4.42Å; W160-Y165 HydrophobicContact CZ2-CD1 4.12Å; W160-Y165 HydrophobicContact CZ3-CD1 4.37Å; W160-Y165 PolarHBondContact NE1-O 3.02Å; W160-Y165 WeakPolarHBondContact O-CA 3.48Å; W160-Y165 PolarHBondContact O-N 3.26Å; A161-Y165 HydrophobicContact CB-CE1 3.89Å; I163-Y165 PolarHBondContact O-N 3.19Å; Y165-A167 PolarHBondContact O-N 3.43Å
166	R	96.7	Very high	97.7	Very high	113 Å²	113	64.1 Å²	64.1	43%	0.426	32%	0.322	S	S	.	.			trans	-82.3	71.3	178.6	-60.5	171.7	66.9	-151.7	0.8	108.6	M53 R102 I163 C164	M53-R166 PolarHBondContact SD-NH1 2.9Å; R102-R166 WeakPolarHBondContact CD-O 3.49Å; R102-R166 PolarHBondContact NH1-O 3.07Å; I163-R166 WeakPolarHBondContact O-CB 3.33Å; I163-R166 PolarHBondContact O-N 2.96Å; C164-R166 HydrophobicContact CB-CG 4.37Å; C164-R166 WeakPolarHBondContact O-CG 3.44Å; C164-R166 PolarHBondContact O-N 2.86Å
167	A	97.4	Very high	97.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.			trans	-90.8	-21.9	176.9	0	0	0	0	0	112.6	Y99 L121 M125 I163 Y165 V169	Y99-A167 HydrophobicContact CE1-CB 4.22Å; Y99-A167 VanDerWaalsContact CE1-O 3.27Å; Y99-A167 WeakPolarHBondContact CE1-O 3.33Å; Y99-A167 PolarHBondContact OH-O 3.32Å; L121-A167 HydrophobicContact CD2-CB 4.5Å; M125-A167 HydrophobicContact CE-CB 3.62Å; M125-A167 HydrophobicContact CG-CB 3.74Å; M125-A167 HydrophobicContact SD-CB 3.91Å; I163-A167 HydrophobicContact CD1-CB 4.06Å; Y165-A167 PolarHBondContact O-N 3.43Å; A167-V169 WeakPolarHBondContact O-CG2 3.4Å; A167-V169 PolarHBondContact O-N 3.04Å
168	A	97.6	Very high	97.6	Very high	80 Å²	80	60.1 Å²	60.1	66%	0.661	30%	0.304	S	S	*	.			trans	-60.6	127.4	171.5	0	0	0	0	0	111.5	R102	R102-A168 PolarHBondContact NH1-O 2.73Å; R102-A168 PolarHBondContact NH2-O 3.14Å
169	V	97.4	Very high	97.6	Very high	18 Å²	18	58.4 Å²	58.4	11%	0.109	31%	0.307	C	S	.	.			trans	-124.2	128.5	177.1	-174.1	0	0	0	0	108	M95 V98 Y99 A167 C173 C174	M95-V169 HydrophobicContact CB-CG2 4.35Å; M95-V169 HydrophobicContact CE-CB 4.24Å; M95-V169 HydrophobicContact CE-CG2 4.13Å; M95-V169 HydrophobicContact CG-CB 3.85Å; M95-V169 HydrophobicContact CG-CG1 4.19Å; M95-V169 HydrophobicContact CG-CG2 3.98Å; V98-V169 HydrophobicContact CB-CG1 4.35Å; V98-V169 HydrophobicContact CB-CG2 4.26Å; V98-V169 HydrophobicContact CG1-CG1 4.13Å; V98-V169 HydrophobicContact CG1-CG2 3.85Å; V98-V169 HydrophobicContact CG2-CG1 4.07Å; Y99-V169 HydrophobicContact CD1-CG2 4.48Å; Y99-V169 HydrophobicContact CE1-CG2 3.77Å; A167-V169 WeakPolarHBondContact O-CG2 3.4Å; A167-V169 PolarHBondContact O-N 3.04Å; V169-C173 HydrophobicContact CG1-CB 3.94Å; V169-C174 VanDerWaalsContact CG1-SG 3.52Å
170	S	97.6	Very high	97.4	Very high	72 Å²	72	61.4 Å²	61.4	50%	0.503	32%	0.323	S	S	.	.			trans	-75.4	151.4	176.7	63.3	0	0	0	0	110.9	S172 C173 C174	S170-S172 VanDerWaalsContact C-N 3.27Å; S170-S172 PolarHBondContact O-N 3.42Å; S170-C173 WeakPolarHBondContact O-CB 3.45Å; S170-C173 PolarHBondContact O-N 3.26Å; S170-C173 WeakPolarHBondContact OG-CB 3.13Å; S170-C173 PolarHBondContact OG-N 3.39Å; S170-C174 PolarHBondContact O-N 3.14Å
171	K	97	Very high	97.4	Very high	135 Å²	135	59.3 Å²	59.3	59%	0.587	32%	0.32	S	S	*	.	H	α-helix	trans	-50.6	-45.7	172.7	-179.4	176.5	172	177.1	0	112.9	Y91 C173 C174 E175	Y91-K171 HydrophobicContact CE1-CG 3.89Å; Y91-K171 WeakPolarHBondContact OH-CE 3.31Å; K171-C173 VanDerWaalsContact C-N 3.31Å; K171-C173 PolarHBondContact O-N 3.16Å; K171-C174 WeakPolarHBondContact O-CB 3.33Å; K171-C174 PolarHBondContact O-N 3.13Å; K171-C174 VanDerWaalsContact O-N 3.15Å; K171-E175 WeakPolarHBondContact CE-OE1 3.45Å; K171-E175 IonicContact NZ-OE1 2.75Å; K171-E175 WeakPolarHBondContact O-CG 3.37Å; K171-E175 PolarHBondContact O-N 3.22Å
172	S	98	Very high	97.3	Very high	66 Å²	66	61.5 Å²	61.5	46%	0.462	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-40.4	177.3	-172.5	0	0	0	0	112.4	S170 C174 E175 E176	S170-S172 VanDerWaalsContact C-N 3.27Å; S170-S172 PolarHBondContact O-N 3.42Å; S172-C174 VanDerWaalsContact C-N 3.33Å; S172-C174 PolarHBondContact O-N 3.49Å; S172-E175 PolarHBondContact O-N 3.24Å; S172-E176 WeakPolarHBondContact O-CG 3.28Å; S172-E176 PolarHBondContact O-N 2.95Å; S172-E176 PolarHBondContact OG-OE1 3.31Å
173	C	97.4	Very high	97.3	Very high	30 Å²	30	61.2 Å²	61.2	20%	0.203	35%	0.346	C	S	.	.	H	α-helix	trans	-64.8	-39.2	178	-177.7	0	0	0	0	111.3	V169 S170 K171 V177	V169-C173 HydrophobicContact CG1-CB 3.94Å; S170-C173 WeakPolarHBondContact O-CB 3.45Å; S170-C173 PolarHBondContact O-N 3.26Å; S170-C173 WeakPolarHBondContact OG-CB 3.13Å; S170-C173 PolarHBondContact OG-N 3.39Å; K171-C173 VanDerWaalsContact C-N 3.31Å; K171-C173 PolarHBondContact O-N 3.16Å; C173-V177 WeakPolarHBondContact O-CG2 2.89Å; C173-V177 PolarHBondContact O-N 3.23Å
174	C	98.3	Very high	97.3	Very high	3 Å²	3	62.7 Å²	62.7	2%	0.02	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-40.7	172.5	-65.3	0	0	0	0	112	Y91 A94 V169 S170 K171 S172 V177 M178	Y91-C174 HydrophobicContact CD1-CB 3.67Å; Y91-C174 HydrophobicContact CE1-CB 4.2Å; A94-C174 HydrophobicContact CB-CB 3.77Å; V169-C174 VanDerWaalsContact CG1-SG 3.52Å; S170-C174 PolarHBondContact O-N 3.14Å; K171-C174 WeakPolarHBondContact O-CB 3.33Å; K171-C174 PolarHBondContact O-N 3.13Å; K171-C174 VanDerWaalsContact O-N 3.15Å; S172-C174 VanDerWaalsContact C-N 3.33Å; S172-C174 PolarHBondContact O-N 3.49Å; C174-V177 WeakPolarHBondContact O-CB 3.42Å; C174-V177 PolarHBondContact O-N 3.45Å; C174-M178 HydrophobicContact CB-CE 4.36Å; C174-M178 WeakPolarHBondContact O-CG 3.48Å; C174-M178 PolarHBondContact O-N 3.34Å
175	E	97.9	Very high	97.4	Very high	82 Å²	82	65.7 Å²	65.7	38%	0.383	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-39.2	178.4	-72.6	171.5	171.2	0	0	112.4	Y91 K171 S172 V177 M178 A179	Y91-E175 HydrophobicContact CE1-CG 4.22Å; Y91-E175 PolarHBondContact OH-OE1 3.24Å; K171-E175 WeakPolarHBondContact CE-OE1 3.45Å; K171-E175 IonicContact NZ-OE1 2.75Å; K171-E175 WeakPolarHBondContact O-CG 3.37Å; K171-E175 PolarHBondContact O-N 3.22Å; S172-E175 PolarHBondContact O-N 3.24Å; E175-V177 VanDerWaalsContact C-N 3.31Å; E175-V177 PolarHBondContact O-N 3.41Å; E175-M178 HydrophobicContact CB-CE 4.44Å; E175-M178 HydrophobicContact CG-CE 3.85Å; E175-M178 PolarHBondContact O-N 3.34Å; E175-A179 WeakPolarHBondContact O-CB 3.32Å; E175-A179 PolarHBondContact O-N 3.08Å
176	E	96.9	Very high	97.4	Very high	121 Å²	121	59.1 Å²	59.1	57%	0.565	34%	0.337	S	S	*	.	H	α-helix	trans	-59	-41.6	171.8	-73.1	165.2	-153.5	0	0	111.8	S172 A179	S172-E176 WeakPolarHBondContact O-CG 3.28Å; S172-E176 PolarHBondContact O-N 2.95Å; S172-E176 PolarHBondContact OG-OE1 3.31Å; E176-A179 PolarHBondContact O-N 3.17Å
177	V	97.3	Very high	97.5	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-46.8	175.9	169.3	0	0	0	0	111.3	I58 M63 A94 F97 V98 C173 C174 E175 A179 I180	I58-V177 HydrophobicContact CD1-CG2 4.12Å; M63-V177 HydrophobicContact CE-CG1 3.8Å; A94-V177 HydrophobicContact CB-CG1 4.31Å; F97-V177 HydrophobicContact CB-CG1 4.37Å; F97-V177 HydrophobicContact CD1-CG1 3.65Å; F97-V177 HydrophobicContact CD1-CG2 4.12Å; F97-V177 HydrophobicContact CE1-CG1 4.43Å; F97-V177 HydrophobicContact CG-CG1 4.37Å; V98-V177 HydrophobicContact CG2-CG2 3.87Å; C173-V177 WeakPolarHBondContact O-CG2 2.89Å; C173-V177 PolarHBondContact O-N 3.23Å; C174-V177 WeakPolarHBondContact O-CB 3.42Å; C174-V177 PolarHBondContact O-N 3.45Å; E175-V177 VanDerWaalsContact C-N 3.31Å; E175-V177 PolarHBondContact O-N 3.41Å; V177-A179 VanDerWaalsContact C-N 3.26Å; V177-A179 PolarHBondContact O-N 2.86Å; V177-I180 WeakPolarHBondContact O-CB 3.22Å; V177-I180 WeakPolarHBondContact O-CG1 3.26Å; V177-I180 PolarHBondContact O-N 3.19Å
178	M	98	Very high	97.4	Very high	19 Å²	19	60.7 Å²	60.7	9%	0.094	35%	0.349	C	S	.	.	H	α-helix	trans	-63.9	-32.8	178.9	-69.2	-174	-75.7	0	0	112.1	K90 Y91 A94 C174 E175 I180 V181 P182 W187	K90-M178 HydrophobicContact CB-SD 3.94Å; K90-M178 HydrophobicContact CD-SD 3.91Å; K90-M178 HydrophobicContact CG-SD 3.88Å; Y91-M178 HydrophobicContact CD1-CE 3.91Å; Y91-M178 HydrophobicContact CE1-CE 3.52Å; A94-M178 HydrophobicContact CB-CG 4.3Å; C174-M178 HydrophobicContact CB-CE 4.36Å; C174-M178 WeakPolarHBondContact O-CG 3.48Å; C174-M178 PolarHBondContact O-N 3.34Å; E175-M178 HydrophobicContact CB-CE 4.44Å; E175-M178 HydrophobicContact CG-CE 3.85Å; E175-M178 PolarHBondContact O-N 3.34Å; M178-I180 PolarHBondContact O-N 2.91Å; M178-V181 CarbonylContact O-C 3.45Å; M178-V181 PolarHBondContact O-N 3.42Å; M178-P182 WeakPolarHBondContact O-CA 3.32Å; M178-W187 HydrophobicContact CB-CD2 4.3Å; M178-W187 HydrophobicContact CB-CG 4.33Å; M178-W187 HydrophobicContact CG-CD2 3.76Å; M178-W187 HydrophobicContact CG-CE3 3.68Å; M178-W187 HydrophobicContact CG-CG 4.16Å; M178-W187 HydrophobicContact CG-CZ3 4.14Å; M178-W187 HydrophobicContact SD-CB 4.48Å; M178-W187 HydrophobicContact SD-CD2 4.45Å; M178-W187 HydrophobicContact SD-CE3 4.11Å
179	A	97.3	Very high	97.4	Very high	68 Å²	68	57.8 Å²	57.8	56%	0.562	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.6	179.1	0	0	0	0	0	114.2	E175 E176 V177	E175-A179 WeakPolarHBondContact O-CB 3.32Å; E175-A179 PolarHBondContact O-N 3.08Å; E176-A179 PolarHBondContact O-N 3.17Å; V177-A179 VanDerWaalsContact C-N 3.26Å; V177-A179 PolarHBondContact O-N 2.86Å
180	I	96.3	Very high	97.2	Very high	71 Å²	71	61.5 Å²	61.5	36%	0.364	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-41.5	178.4	-58.5	175.6	0	0	0	111	I58 M63 V177 M178	I58-I180 HydrophobicContact CB-CD1 3.94Å; I58-I180 HydrophobicContact CD1-CD1 3.66Å; I58-I180 HydrophobicContact CG1-CD1 4.4Å; I58-I180 HydrophobicContact CG2-CD1 3.62Å; M63-I180 HydrophobicContact CB-CG2 4.29Å; M63-I180 HydrophobicContact CE-CB 4.21Å; M63-I180 HydrophobicContact CE-CD1 3.79Å; M63-I180 HydrophobicContact CE-CG1 4.49Å; M63-I180 HydrophobicContact CE-CG2 4.5Å; M63-I180 HydrophobicContact CG-CB 4.47Å; M63-I180 HydrophobicContact CG-CG2 3.91Å; V177-I180 WeakPolarHBondContact O-CB 3.22Å; V177-I180 WeakPolarHBondContact O-CG1 3.26Å; V177-I180 PolarHBondContact O-N 3.19Å; M178-I180 PolarHBondContact O-N 2.91Å
181	V	96.9	Very high	97.1	Very high	46 Å²	46	59.3 Å²	59.3	28%	0.279	32%	0.318	S	S	.	.	S	Bend	trans	-139.4	73.9	176.2	-169.7	0	0	0	0	108.9	M63 L67 M178 S183 H184 W187	M63-V181 HydrophobicContact CG-CG2 3.93Å; L67-V181 HydrophobicContact CD1-CB 3.92Å; L67-V181 HydrophobicContact CD1-CG1 4.13Å; L67-V181 HydrophobicContact CD1-CG2 3.87Å; M178-V181 CarbonylContact O-C 3.45Å; M178-V181 PolarHBondContact O-N 3.42Å; V181-S183 PolarHBondContact O-N 3.45Å; V181-H184 HydrophobicContact CG1-CB 4.19Å; V181-H184 PolarHBondContact O-N 3.25Å; V181-W187 PolarHBondContact O-NE1 3.12Å
182	P	97.1	Very high	96.8	Very high	84 Å²	84	55.3 Å²	55.3	55%	0.545	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.1	-168.9	27.1	-35.1	0	0	0	113.4	M178 H184	M178-P182 WeakPolarHBondContact O-CA 3.32Å; P182-H184 VanDerWaalsContact C-N 3.3Å; P182-H184 PolarHBondContact O-N 3.17Å
183	S	97.1	Very high	96.4	Very high	105 Å²	105	58.8 Å²	58.8	73%	0.734	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-7.8	179.1	55.1	0	0	0	0	114.3	V181 F185	V181-S183 PolarHBondContact O-N 3.45Å; S183-F185 PolarHBondContact O-N 3Å
184	H	98.1	Very high	95.9	Very high	31 Å²	31	61.2 Å²	61.2	14%	0.144	33%	0.328	C	S	.	.	S	Bend	trans	-67.8	134.5	-179.4	-164.7	-86.9	0	0	0	111.3	L67 F70 V181 P182 V186 W187	L67-H184 HydrophobicContact CD1-CB 4.37Å; L67-H184 HydrophobicContact CD2-CB 4.37Å; F70-H184 AromaticContact CD2-CE1 3.61Å; V181-H184 HydrophobicContact CG1-CB 4.19Å; V181-H184 PolarHBondContact O-N 3.25Å; P182-H184 VanDerWaalsContact C-N 3.3Å; P182-H184 PolarHBondContact O-N 3.17Å; H184-V186 WeakPolarHBondContact ND1-CG2 3.3Å; H184-V186 PolarHBondContact ND1-N 3Å; H184-V186 PolarHBondContact O-N 2.73Å; H184-V186 VanDerWaalsContact O-N 3.11Å; H184-W187 PolarHBondContact O-N 2.81Å; H184-W187 VanDerWaalsContact O-N 3.09Å
185	F	97.7	Very high	95.4	Very high	94 Å²	94	63.3 Å²	63.3	41%	0.412	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-60.8	-29	-169.8	78.5	-90.1	0	0	0	113.9	F70 L79 S183 W187 Q188	F70-F185 HydrophobicContact CB-CE1 3.89Å; F70-F185 HydrophobicContact CB-CZ 3.79Å; L79-F185 HydrophobicContact CD1-CE2 4.25Å; L79-F185 HydrophobicContact CD1-CZ 4.4Å; S183-F185 PolarHBondContact O-N 3Å; F185-W187 PolarHBondContact O-N 2.68Å; F185-Q188 VanDerWaalsContact O-CB 3.31Å; F185-Q188 WeakPolarHBondContact O-CB 3.34Å; F185-Q188 PolarHBondContact O-N 3.27Å
186	V	97.9	Very high	94.7	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-62.5	-24.8	179.7	-61.6	0	0	0	0	113.2	L67 F70 L79 L93 H184 Q188 R189	L67-V186 HydrophobicContact CD2-CG2 4.36Å; F70-V186 HydrophobicContact CB-CG1 4Å; F70-V186 HydrophobicContact CD1-CG1 3.63Å; F70-V186 HydrophobicContact CD2-CG1 3.66Å; F70-V186 HydrophobicContact CD2-CG2 4.21Å; F70-V186 HydrophobicContact CE1-CG1 3.92Å; F70-V186 HydrophobicContact CE2-CB 4.44Å; F70-V186 HydrophobicContact CE2-CG1 3.99Å; F70-V186 HydrophobicContact CE2-CG2 3.98Å; F70-V186 HydrophobicContact CG-CG1 3.47Å; F70-V186 VanDerWaalsContact CG-CG1 3.47Å; F70-V186 HydrophobicContact CZ-CG1 4.1Å; F70-V186 HydrophobicContact CZ-CG2 4.39Å; L79-V186 HydrophobicContact CD1-CG1 4.32Å; L93-V186 HydrophobicContact CD1-CB 3.95Å; L93-V186 HydrophobicContact CD1-CG1 4.39Å; H184-V186 WeakPolarHBondContact ND1-CG2 3.3Å; H184-V186 PolarHBondContact ND1-N 3Å; H184-V186 PolarHBondContact O-N 2.73Å; H184-V186 VanDerWaalsContact O-N 3.11Å; V186-Q188 PolarHBondContact O-N 3.31Å; V186-R189 VanDerWaalsContact O-CB 3.31Å; V186-R189 WeakPolarHBondContact O-CB 3.37Å; V186-R189 VanDerWaalsContact O-CG 3.31Å; V186-R189 WeakPolarHBondContact O-CG 3.49Å; V186-R189 PolarHBondContact O-N 3.09Å
187	W	98	Very high	93.8	Very high	11 Å²	11	59.8 Å²	59.8	4%	0.042	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-77.4	-10.1	176	-47.1	140.1	0	0	0	113	Y66 L67 K90 L93 A94 M178 V181 H184 F185 R189	Y66-W187 HydrophobicContact CE1-CH2 4.3Å; L67-W187 HydrophobicContact CD2-CZ2 3.84Å; K90-W187 HydrophobicContact CB-CE3 4.25Å; K90-W187 WeakPolarHBondContact CD-O 3.38Å; L93-W187 HydrophobicContact CB-CZ3 4.11Å; A94-W187 HydrophobicContact CB-CZ3 4.31Å; M178-W187 HydrophobicContact CB-CD2 4.3Å; M178-W187 HydrophobicContact CB-CG 4.33Å; M178-W187 HydrophobicContact CG-CD2 3.76Å; M178-W187 HydrophobicContact CG-CE3 3.68Å; M178-W187 HydrophobicContact CG-CG 4.16Å; M178-W187 HydrophobicContact CG-CZ3 4.14Å; M178-W187 HydrophobicContact SD-CB 4.48Å; M178-W187 HydrophobicContact SD-CD2 4.45Å; M178-W187 HydrophobicContact SD-CE3 4.11Å; V181-W187 PolarHBondContact O-NE1 3.12Å; H184-W187 PolarHBondContact O-N 2.81Å; H184-W187 VanDerWaalsContact O-N 3.09Å; F185-W187 PolarHBondContact O-N 2.68Å; W187-R189 VanDerWaalsContact C-N 3.31Å
188	Q	96.5	Very high	92.5	Very high	135 Å²	135	63.4 Å²	63.4	63%	0.631	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-87.5	-1.6	172.4	-51	-54.3	-38.9	0	0	112.6	F185 V186 Q190	F185-Q188 VanDerWaalsContact O-CB 3.31Å; F185-Q188 WeakPolarHBondContact O-CB 3.34Å; F185-Q188 PolarHBondContact O-N 3.27Å; V186-Q188 PolarHBondContact O-N 3.31Å; Q188-Q190 PolarHBondContact O-N 2.96Å
189	R	96.7	Very high	91.1	Very high	19 Å²	19	69.2 Å²	69.2	7%	0.072	41%	0.408	C	S	.	.			trans	-76.3	70.6	176.6	-59.6	179.2	69.3	79.5	-3.8	110.3	L79 D82 Y85 T88 D89 K90 V186 W187	L79-R189 PolarHBondContact O-NH2 3.21Å; D82-R189 PolarHBondContact O-NH2 3.11Å; Y85-R189 HydrophobicContact CD1-CB 4.2Å; Y85-R189 HydrophobicContact CD1-CG 4.47Å; Y85-R189 HydrophobicContact CD2-CB 4.21Å; Y85-R189 HydrophobicContact CE1-CB 4.37Å; Y85-R189 HydrophobicContact CE1-CG 4.27Å; Y85-R189 VanDerWaalsContact CE1-NH1 3.35Å; Y85-R189 HydrophobicContact CE2-CB 4.36Å; Y85-R189 HydrophobicContact CG-CB 4.11Å; T88-R189 PolarHBondContact O-NE 3.25Å; T88-R189 PolarHBondContact OG1-NH2 3.09Å; D89-R189 WeakPolarHBondContact CA-O 3.38Å; D89-R189 WeakPolarHBondContact CB-O 3.31Å; K90-R189 PolarHBondContact N-O 3.09Å; V186-R189 VanDerWaalsContact O-CB 3.31Å; V186-R189 WeakPolarHBondContact O-CB 3.37Å; V186-R189 VanDerWaalsContact O-CG 3.31Å; V186-R189 WeakPolarHBondContact O-CG 3.49Å; V186-R189 PolarHBondContact O-N 3.09Å; W187-R189 VanDerWaalsContact C-N 3.31Å
190	Q	94.4	Very high	89.6	Confident	95 Å²	95	74.8 Å²	74.8	44%	0.444	41%	0.414	S	S	.	.			trans	-89.4	114.6	179	-178.5	60.7	53.4	0	0	109.7	Y85 Q188	Y85-Q190 WeakPolarHBondContact CD2-O 2.9Å; Q188-Q190 PolarHBondContact O-N 2.96Å
191	R	93.6	Very high	88.1	Confident	27 Å²	27	76.6 Å²	76.6	10%	0.102	42%	0.421	C	S	.	.			trans	-59.7	137.6	173.1	-169.6	-177.7	-58	174.1	8.7	110	Y85 K86 D89 E127 H195	Y85-R191 PolarHBondContact O-NE 3.28Å; Y85-R191 PolarHBondContact O-NH2 2.91Å; K86-R191 PolarHBondContact O-NH2 3.07Å; D89-R191 HydrophobicContact CB-CB 4.3Å; D89-R191 IonicContact OD2-CZ 3.56Å; D89-R191 IonicContact OD2-NE 3.34Å; D89-R191 IonicContact OD2-NH2 2.73Å; D89-R191 PolarHBondContact OD2-NH2 3.12Å; E127-R191 VanDerWaalsContact CD-NH1 3.26Å; E127-R191 IonicContact OE1-CZ 2.66Å; E127-R191 VanDerWaalsContact OE1-CZ 3.28Å; E127-R191 IonicContact OE1-NH1 3.25Å; E127-R191 PolarHBondContact OE1-NH1 3.4Å; E127-R191 IonicContact OE1-NH2 2.92Å; E127-R191 PolarHBondContact OE1-NH2 3.37Å; E127-R191 IonicContact OE2-CZ 2.66Å; E127-R191 IonicContact OE2-NH1 2.75Å; E127-R191 PolarHBondContact OE2-NH1 3.44Å; E127-R191 IonicContact OE2-NH2 3.28Å; R191-H195 WeakPolarHBondContact CD-O 3.47Å; R191-H195 HydrophobicContact CG-CB 3.93Å
192	S	91.2	Very high	86.4	Confident	50 Å²	50	82.7 Å²	82.7	35%	0.35	44%	0.44	S	S	.	.			trans	-76.1	147.3	176	-65.6	0	0	0	0	111.5	H194 H195 S196	S192-H194 VanDerWaalsContact C-N 3.26Å; S192-H194 WeakPolarHBondContact CB-CE1 3.32Å; S192-H194 WeakPolarHBondContact CB-ND1 3.42Å; S192-H194 PolarHBondContact O-N 3.25Å; S192-H194 VanDerWaalsContact O-N 3.15Å; S192-H195 PolarHBondContact O-N 3.13Å; S192-S196 PolarHBondContact O-N 3.19Å; S192-S196 PolarHBondContact O-OG 2.92Å
193	D	89.4	Confident	84.4	Confident	140 Å²	140	85.8 Å²	85.8	75%	0.749	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-61.5	-28.2	-173.7	-64.4	-26.6	0	0	0	114.7	H195 S196	D193-H195 PolarHBondContact O-N 3.45Å; D193-S196 WeakPolarHBondContact O-CA 3.27Å; D193-S196 WeakPolarHBondContact O-CB 3.21Å; D193-S196 PolarHBondContact O-N 3.41Å
194	H	87.8	Confident	82.3	Confident	81 Å²	81	84.4 Å²	84.4	38%	0.375	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-72.1	-9	175.8	69.9	-88.7	0	0	0	113.7	S192 C221 L223 C224	S192-H194 VanDerWaalsContact C-N 3.26Å; S192-H194 WeakPolarHBondContact CB-CE1 3.32Å; S192-H194 WeakPolarHBondContact CB-ND1 3.42Å; S192-H194 PolarHBondContact O-N 3.25Å; S192-H194 VanDerWaalsContact O-N 3.15Å; H194-C221 PolarHBondContact NE2-SG 3.12Å; H194-L223 HydrophobicContact CB-CD1 4.01Å; H194-L223 WeakPolarHBondContact NE2-CB 3.45Å; H194-C224 PolarHBondContact CE1-SG 3.03Å; H194-C224 PolarHBondContact NE2-SG 2.74Å
195	H	88.3	Confident	80	Confident	47 Å²	47	91.9 Å²	91.9	22%	0.218	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-106.9	4.5	167.5	-69.6	-45.9	0	0	0	112.2	C84 R191 S192 D193 C221	C84-H195 PolarHBondContact SG-NE2 3.21Å; R191-H195 WeakPolarHBondContact CD-O 3.47Å; R191-H195 HydrophobicContact CG-CB 3.93Å; S192-H195 PolarHBondContact O-N 3.13Å; D193-H195 PolarHBondContact O-N 3.45Å; H195-C221 PolarHBondContact NE2-SG 3.16Å
196	S	82.8	Confident	78	Confident	55 Å²	55	89.4 Å²	89.4	39%	0.385	48%	0.478	S	S	.	.			trans	-103	159.3	176.9	-57.1	0	0	0	0	110.3	S192 D193	S192-S196 PolarHBondContact O-N 3.19Å; S192-S196 PolarHBondContact O-OG 2.92Å; D193-S196 WeakPolarHBondContact O-CA 3.27Å; D193-S196 WeakPolarHBondContact O-CB 3.21Å; D193-S196 PolarHBondContact O-N 3.41Å
197	G	78.4	Confident	76.1	Confident	74 Å²	74	95 Å²	95	76%	0.763	52%	0.515	S	S	*	.	S	Bend	trans	99	161.4	174.5	0	0	0	0	0	114	L199	G197-L199 PolarHBondContact O-N 3.47Å
198	A	69.3	Low	74.2	Confident	80 Å²	80	97 Å²	97	66%	0.661	53%	0.528	S	S	*	.			trans	-82.6	95.2	-179.6	0	0	0	0	0	109.9	R200	A198-R200 PolarHBondContact O-N 2.83Å
199	L	68.1	Low	73.1	Confident	140 Å²	140	98.9 Å²	98.9	73%	0.733	53%	0.53	S	S	*	.			trans	-84.9	110	171.8	-174.2	67	0	0	0	109.5	G197 Q201	G197-L199 PolarHBondContact O-N 3.47Å; L199-Q201 HydrophobicContact CD2-CG 3.98Å; L199-Q201 HydrophobicContact CG-CG 4.12Å; L199-Q201 PolarHBondContact O-N 3.34Å; L199-Q201 VanDerWaalsContact O-N 3.15Å
200	R	66.8	Low	72.3	Confident	186 Å²	186	101.7 Å²	101.7	70%	0.702	54%	0.543	S	S	*	.			trans	-80.3	97	172	-61.1	-171	178	-140.5	-5.2	109.3	A198 Y202	A198-R200 PolarHBondContact O-N 2.83Å; R200-Y202 HydrophobicContact CB-CD2 3.9Å; R200-Y202 HydrophobicContact CB-CE2 3.36Å; R200-Y202 WeakPolarHBondContact CD-OH 3.41Å; R200-Y202 HydrophobicContact CG-CE2 4.29Å; R200-Y202 PolarHBondContact NH1-OH 3.35Å; R200-Y202 WeakPolarHBondContact O-CD2 3.34Å; R200-Y202 PolarHBondContact O-N 3.45Å; R200-Y202 VanDerWaalsContact O-N 3.16Å
201	Q	64.2	Low	72	Confident	109 Å²	109	98 Å²	98	51%	0.509	53%	0.527	S	S	.	.			trans	-78.4	96.5	172.8	-67	-177.5	23.5	0	0	108.9	L199 S204	L199-Q201 HydrophobicContact CD2-CG 3.98Å; L199-Q201 HydrophobicContact CG-CG 4.12Å; L199-Q201 PolarHBondContact O-N 3.34Å; L199-Q201 VanDerWaalsContact O-N 3.15Å; Q201-S204 PolarHBondContact OE1-OG 3.27Å
202	Y	62.1	Low	71.8	Confident	173 Å²	173	102.3 Å²	102.3	68%	0.678	54%	0.543	S	S	*	.	S	Bend	trans	-80.4	-16.5	178.6	-73.5	-76.4	0	0	0	113.5	R200	R200-Y202 HydrophobicContact CB-CD2 3.9Å; R200-Y202 HydrophobicContact CB-CE2 3.36Å; R200-Y202 WeakPolarHBondContact CD-OH 3.41Å; R200-Y202 HydrophobicContact CG-CE2 4.29Å; R200-Y202 PolarHBondContact NH1-OH 3.35Å; R200-Y202 WeakPolarHBondContact O-CD2 3.34Å; R200-Y202 PolarHBondContact O-N 3.45Å; R200-Y202 VanDerWaalsContact O-N 3.16Å
203	N	55.2	Low	71.8	Confident	150 Å²	150	100 Å²	100	80%	0.802	53%	0.527	S	S	*	.	S	Bend	trans	-155.5	40.4	-173.6	-85.8	-24.4	0	0	0	113	Q205	N203-Q205 VanDerWaalsContact C-N 3.31Å; N203-Q205 PolarHBondContact O-N 3.02Å
204	S	52.2	Low	71.9	Confident	75 Å²	75	96.5 Å²	96.5	52%	0.524	51%	0.512	S	S	.	.			trans	-80.2	84.8	174.9	-170.5	0	0	0	0	109.8	Q201 G206	Q201-S204 PolarHBondContact OE1-OG 3.27Å; S204-G206 PolarHBondContact O-N 3.5Å; S204-G206 VanDerWaalsContact O-N 3.08Å
205	Q	49.7	Very low	72	Confident	189 Å²	189	98.4 Å²	98.4	88%	0.883	54%	0.535	S	S	*	.			trans	-77	40.6	159	-63.2	-177.9	18.2	0	0	110	N203	N203-Q205 VanDerWaalsContact C-N 3.31Å; N203-Q205 PolarHBondContact O-N 3.02Å
206	G	55.9	Low	72.1	Confident	41 Å²	41	97.5 Å²	97.5	42%	0.423	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-67.6	145.2	169.2	0	0	0	0	0	108.9	S204 T208	S204-G206 PolarHBondContact O-N 3.5Å; S204-G206 VanDerWaalsContact O-N 3.08Å; G206-T208 PolarHBondContact O-N 3.42Å
207	P	57.4	Low	72.2	Confident	118 Å²	118	99 Å²	99	77%	0.766	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-56.3	129.4	173.4	22.1	-30.7	0	0	0	109.1	R209	P207-R209 PolarHBondContact O-N 3.34Å; P207-R209 VanDerWaalsContact O-N 3.16Å
208	T	59.3	Low	72.6	Confident	53 Å²	53	98.1 Å²	98.1	33%	0.325	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-50.7	120.7	175.4	43.7	0	0	0	0	109	G206 F210	G206-T208 PolarHBondContact O-N 3.42Å; T208-F210 PolarHBondContact O-N 3.38Å; T208-F210 VanDerWaalsContact O-N 3.12Å
209	R	71.6	Confident	73.3	Confident	175 Å²	175	97.8 Å²	97.8	66%	0.66	52%	0.516	S	S	*	.			trans	-82.2	100.9	-175.9	-72.5	-175.5	177.5	-175.1	1	109.4	P207	P207-R209 PolarHBondContact O-N 3.34Å; P207-R209 VanDerWaalsContact O-N 3.16Å
210	F	80.2	Confident	74	Confident	78 Å²	78	95.5 Å²	95.5	34%	0.342	51%	0.512	S	S	.	.			trans	-63.1	139.2	171.7	-74.1	-80.7	0	0	0	111.3	T208 R212 F299	T208-F210 PolarHBondContact O-N 3.38Å; T208-F210 VanDerWaalsContact O-N 3.12Å; F210-R212 PolarHBondContact O-N 3.49Å; F210-F299 HydrophobicContact CD1-CZ 4.5Å; F210-F299 HydrophobicContact CE1-CD1 4.01Å; F210-F299 AromaticContact CE1-CD2 3.93Å; F210-F299 HydrophobicContact CE1-CD2 3.93Å; F210-F299 HydrophobicContact CE1-CE1 4.12Å; F210-F299 HydrophobicContact CE1-CE2 4.03Å; F210-F299 AromaticContact CE1-CG 3.92Å; F210-F299 HydrophobicContact CE1-CG 3.92Å; F210-F299 HydrophobicContact CE1-CZ 4.13Å; F210-F299 HydrophobicContact CZ-CB 4.5Å; F210-F299 HydrophobicContact CZ-CD1 4.38Å; F210-F299 HydrophobicContact CZ-CG 4.19Å
211	P	89.6	Confident	75.1	Confident	18 Å²	18	87.5 Å²	87.5	12%	0.117	48%	0.484	C	S	.	.			trans	-53.5	120.7	172.9	-29.8	37.3	0	0	0	111.9	Y134 E135 P138 W145	Y134-P211 WeakPolarHBondContact O-CG 3.48Å; E135-P211 WeakPolarHBondContact OE1-CA 3.44Å; P138-P211 HydrophobicContact CG-CB 3.56Å; W145-P211 HydrophobicContact CH2-CB 4.34Å; W145-P211 HydrophobicContact CH2-CG 3.8Å; W145-P211 HydrophobicContact CZ2-CB 4.05Å; W145-P211 HydrophobicContact CZ2-CG 4.01Å
212	R	88.7	Confident	76.2	Confident	116 Å²	116	86.2 Å²	86.2	44%	0.438	49%	0.492	S	S	.	.			trans	-79.1	-35.6	-177.7	-59.3	-171.8	72	-162	-3.3	112.2	E135 F210 A216 S217	E135-R212 WeakPolarHBondContact OE1-CG 3.43Å; E135-R212 PolarHBondContact OE1-N 3.29Å; E135-R212 PolarHBondContact OE2-N 2.77Å; F210-R212 PolarHBondContact O-N 3.49Å; R212-A216 HydrophobicContact CB-CB 3.69Å; R212-S217 PolarHBondContact NH1-O 3.29Å; R212-S217 PolarHBondContact NH2-O 2.93Å
213	G	90.3	Very high	77.4	Confident	2 Å²	2	83.2 Å²	83.2	2%	0.021	49%	0.488	C	S	.	.			trans	68.4	-170.7	175.6	0	0	0	0	0	116	E135 S215 A216	E135-G213 PolarHBondContact OE2-N 3.15Å; E135-G213 VanDerWaalsContact OE2-N 3.16Å; G213-S215 VanDerWaalsContact C-N 3.32Å; G213-S215 PolarHBondContact O-N 3.41Å; G213-A216 PolarHBondContact O-N 2.92Å
214	P	92.4	Very high	78.8	Confident	66 Å²	66	77.4 Å²	77.4	43%	0.429	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.7	-168.2	-21.4	29.6	0	0	0	117	W139 A216	W139-P214 HydrophobicContact CD2-CB 4.31Å; W139-P214 HydrophobicContact CD2-CG 3.69Å; W139-P214 HydrophobicContact CE3-CB 4.04Å; W139-P214 HydrophobicContact CE3-CG 3.75Å; W139-P214 HydrophobicContact CG-CG 4.12Å; W139-P214 HydrophobicContact CH2-CB 3.88Å; W139-P214 HydrophobicContact CH2-CG 4.33Å; W139-P214 VanDerWaalsContact CZ2-CA 3.42Å; W139-P214 HydrophobicContact CZ2-CB 4.12Å; W139-P214 HydrophobicContact CZ2-CG 4.25Å; W139-P214 HydrophobicContact CZ3-CB 3.82Å; W139-P214 HydrophobicContact CZ3-CG 4.07Å; P214-A216 VanDerWaalsContact C-N 3.35Å
215	S	90.2	Very high	80	Confident	121 Å²	121	76.7 Å²	76.7	85%	0.846	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-2.1	-175.2	-60.4	0	0	0	0	113.6	G213	G213-S215 VanDerWaalsContact C-N 3.32Å; G213-S215 PolarHBondContact O-N 3.41Å
216	A	88.9	Confident	80.5	Confident	28 Å²	28	70.5 Å²	70.5	23%	0.231	43%	0.426	C	S	.	.	S	Bend	trans	-100.1	158.6	-179.4	0	0	0	0	0	111.6	M81 R212 G213 P214	M81-A216 HydrophobicContact CE-CB 4.38Å; M81-A216 WeakPolarHBondContact CE-O 3.36Å; R212-A216 HydrophobicContact CB-CB 3.69Å; G213-A216 PolarHBondContact O-N 2.92Å; P214-A216 VanDerWaalsContact C-N 3.35Å
217	S	85.9	Confident	80.4	Confident	86 Å²	86	70.4 Å²	70.4	60%	0.601	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-77.8	152	170.4	-50	0	0	0	0	111.5	M81 R212	M81-S217 VanDerWaalsContact SD-C 3.54Å; R212-S217 PolarHBondContact NH1-O 3.29Å; R212-S217 PolarHBondContact NH2-O 2.93Å
218	P	86.6	Confident	80.1	Confident	56 Å²	56	68.6 Å²	68.6	36%	0.364	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-56	146.2	176.9	-22.2	30.4	0	0	0	111.8	M81 S220	M81-P218 HydrophobicContact CG-CG 4.4Å; M81-P218 VanDerWaalsContact SD-CA 3.52Å; M81-P218 HydrophobicContact SD-CB 4.02Å; M81-P218 WeakPolarHBondContact SD-CD 3.27Å; M81-P218 HydrophobicContact SD-CG 3.58Å; M81-P218 VanDerWaalsContact SD-CG 3.58Å; P218-S220 PolarHBondContact O-N 3.24Å
219	V	83.4	Confident	79.4	Confident	73 Å²	73	74 Å²	74	44%	0.442	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-69.9	122.5	171.8	178.8	0	0	0	0	107.9	C83	C83-V219 PolarHBondContact SG-O 2.77Å
220	S	83.8	Confident	78.2	Confident	92 Å²	92	71 Å²	71	64%	0.643	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-72.7	132.1	177	59.7	0	0	0	0	111	P218	P218-S220 PolarHBondContact O-N 3.24Å
221	C	88.9	Confident	76.5	Confident	18 Å²	18	75.2 Å²	75.2	12%	0.122	45%	0.446	C	S	.	.			trans	-105.5	121.1	166.3	173.2	0	0	0	0	109.5	C84 H194 H195 L223 C224 N225	C84-C221 WeakPolarHBondContact SG-CB 3.43Å; H194-C221 PolarHBondContact NE2-SG 3.12Å; H195-C221 PolarHBondContact NE2-SG 3.16Å; C221-L223 VanDerWaalsContact C-N 3.29Å; C221-L223 PolarHBondContact O-N 2.75Å; C221-C224 HydrophobicContact CB-CB 3.87Å; C221-C224 PolarHBondContact O-N 3.25Å; C221-C224 PolarHBondContact SG-N 3.43Å; C221-C224 VanDerWaalsContact SG-N 3.42Å; C221-C224 VanDerWaalsContact SG-SG 3.64Å; C221-N225 WeakPolarHBondContact O-CB 3.46Å; C221-N225 PolarHBondContact O-N 2.78Å
222	A	87.2	Confident	74.1	Confident	82 Å²	82	84.9 Å²	84.9	68%	0.678	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-38.2	-178.7	0	0	0	0	0	112.4	C226	A222-C226 WeakPolarHBondContact O-CB 3.41Å; A222-C226 PolarHBondContact O-N 3.48Å
223	L	87.1	Confident	72	Confident	111 Å²	111	85.5 Å²	85.5	58%	0.581	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-44.9	-179.2	-62.3	177.7	0	0	0	111.7	H194 C221 N225 C226 G227	H194-L223 HydrophobicContact CB-CD1 4.01Å; H194-L223 WeakPolarHBondContact NE2-CB 3.45Å; C221-L223 VanDerWaalsContact C-N 3.29Å; C221-L223 PolarHBondContact O-N 2.75Å; L223-N225 PolarHBondContact O-N 2.77Å; L223-C226 PolarHBondContact O-N 3.41Å; L223-G227 PolarHBondContact O-N 3.48Å
224	C	86.3	Confident	69.6	Low	27 Å²	27	90.7 Å²	90.7	18%	0.182	53%	0.526	C	S	.	.	H	α-helix	trans	-65.1	-37	173.3	-64	0	0	0	0	112.6	C84 H194 C221 C226	C84-C224 VanDerWaalsContact SG-SG 3.67Å; H194-C224 PolarHBondContact CE1-SG 3.03Å; H194-C224 PolarHBondContact NE2-SG 2.74Å; C221-C224 HydrophobicContact CB-CB 3.87Å; C221-C224 PolarHBondContact O-N 3.25Å; C221-C224 PolarHBondContact SG-N 3.43Å; C221-C224 VanDerWaalsContact SG-N 3.42Å; C221-C224 VanDerWaalsContact SG-SG 3.64Å; C224-C226 VanDerWaalsContact C-N 3.28Å; C224-C226 PolarHBondContact O-N 3.34Å
225	N	76.8	Confident	67.3	Low	60 Å²	60	92.2 Å²	92.2	32%	0.321	54%	0.539	S	S	.	.	H	α-helix	trans	-77.5	-11.6	177.8	-71.8	-2.2	0	0	0	113.4	C221 L223 S228 R229	C221-N225 WeakPolarHBondContact O-CB 3.46Å; C221-N225 PolarHBondContact O-N 2.78Å; L223-N225 PolarHBondContact O-N 2.77Å; N225-S228 PolarHBondContact O-OG 3.39Å; N225-R229 PolarHBondContact O-NE 3.36Å
226	C	60	Low	64.7	Low	60 Å²	60	91.3 Å²	91.3	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-87.6	-37.5	176.1	-167.1	0	0	0	0	111.5	A222 L223 C224 S228 R229 L230	A222-C226 WeakPolarHBondContact O-CB 3.41Å; A222-C226 PolarHBondContact O-N 3.48Å; L223-C226 PolarHBondContact O-N 3.41Å; C224-C226 VanDerWaalsContact C-N 3.28Å; C224-C226 PolarHBondContact O-N 3.34Å; C226-S228 PolarHBondContact O-N 3.28Å; C226-R229 PolarHBondContact O-N 3.44Å; C226-L230 PolarHBondContact O-N 3.33Å; C226-L230 VanDerWaalsContact O-N 3.14Å
227	G	53.5	Low	62.4	Low	38 Å²	38	98 Å²	98	39%	0.392	56%	0.558	S	S	.	*	H	α-helix	trans	-60	-31.6	178.5	0	0	0	0	0	114.1	L223 R229 H231	L223-G227 PolarHBondContact O-N 3.48Å; G227-R229 VanDerWaalsContact C-N 3.34Å; G227-H231 PolarHBondContact O-N 3.05Å
228	S	50.6	Low	60.1	Low	80 Å²	80	99.7 Å²	99.7	56%	0.559	57%	0.568	S	S	*	*	H	α-helix	trans	-74.7	-19.6	174.6	41.4	0	0	0	0	114	N225 C226	N225-S228 PolarHBondContact O-OG 3.39Å; C226-S228 PolarHBondContact O-N 3.28Å
229	R	46.3	Very low	57.6	Low	168 Å²	168	102.8 Å²	102.8	63%	0.634	59%	0.59	S	S	*	*	H	α-helix	trans	-85.6	-36.4	173.5	-82.4	-177.4	-97.3	-131.9	1.5	112.8	N225 C226 G227 H231 R232	N225-R229 PolarHBondContact O-NE 3.36Å; C226-R229 PolarHBondContact O-N 3.44Å; G227-R229 VanDerWaalsContact C-N 3.34Å; R229-H231 VanDerWaalsContact C-N 3.34Å; R229-H231 PolarHBondContact O-N 3.21Å; R229-R232 WeakPolarHBondContact O-CB 3.18Å; R229-R232 PolarHBondContact O-N 3.23Å; R229-R232 VanDerWaalsContact O-N 3.13Å
230	L	45.6	Very low	55.3	Low	111 Å²	111	103.6 Å²	103.6	58%	0.581	61%	0.605	S	S	*	*	H	α-helix	trans	-66.6	-33.3	176.6	-90.2	148.9	0	0	0	112.8	C226 R232 I233	C226-L230 PolarHBondContact O-N 3.33Å; C226-L230 VanDerWaalsContact O-N 3.14Å; L230-R232 PolarHBondContact O-N 3.4Å; L230-I233 PolarHBondContact O-N 3.29Å
231	H	43.7	Very low	53.1	Low	167 Å²	167	107.9 Å²	107.9	77%	0.773	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-14.7	172.5	-96.5	-75.5	0	0	0	114.5	G227 R229	G227-H231 PolarHBondContact O-N 3.05Å; R229-H231 VanDerWaalsContact C-N 3.34Å; R229-H231 PolarHBondContact O-N 3.21Å
232	R	39.6	Very low	50.2	Low	221 Å²	221	113.6 Å²	113.6	83%	0.834	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-16.3	175.5	-165.8	-179.8	-72.7	-142.8	-0.7	112.9	R229 L230	R229-R232 WeakPolarHBondContact O-CB 3.18Å; R229-R232 PolarHBondContact O-N 3.23Å; R229-R232 VanDerWaalsContact O-N 3.13Å; L230-R232 PolarHBondContact O-N 3.4Å
233	I	44.4	Very low	47.7	Very low	129 Å²	129	115.6 Å²	115.6	66%	0.662	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	-13.7	-173.7	-57	176.1	0	0	0	112.3	L230 S235	L230-I233 PolarHBondContact O-N 3.29Å; I233-S235 VanDerWaalsContact C-N 3.26Å; I233-S235 PolarHBondContact O-N 3.17Å; I233-S235 VanDerWaalsContact O-N 3.16Å
234	S	41.1	Very low	45.2	Very low	110 Å²	110	114.9 Å²	114.9	77%	0.769	66%	0.657	S	S	*	*	S	Bend	trans	-89.2	39.8	177.7	-62.3	0	0	0	0	114.3
235	S	44.3	Very low	42.9	Very low	99 Å²	99	124.6 Å²	124.6	69%	0.692	69%	0.692	S	S	*	*			trans	-140.1	60.7	165	-151.7	0	0	0	0	110.3	I233	I233-S235 VanDerWaalsContact C-N 3.26Å; I233-S235 PolarHBondContact O-N 3.17Å; I233-S235 VanDerWaalsContact O-N 3.16Å
236	S	35.4	Very low	40.8	Very low	102 Å²	102	129.4 Å²	129.4	71%	0.713	72%	0.717	S	S	*	*			trans	-106.7	98.1	158.7	55.4	0	0	0	0	107.4
237	H	41.2	Very low	39.6	Very low	168 Å²	168	133.8 Å²	133.8	78%	0.778	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-56.3	139	167.9	-76.7	-81.6	0	0	0	110.1	S239	H237-S239 PolarHBondContact O-N 3.47Å
238	P	36.9	Very low	38.8	Very low	122 Å²	122	136.1 Å²	136.1	79%	0.792	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-67.3	127.4	170.6	26.8	-30.7	0	0	0	109.6	A240	P238-A240 PolarHBondContact O-N 3.15Å
239	S	33.3	Very low	38	Very low	120 Å²	120	142.1 Å²	142.1	84%	0.839	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-62.5	116.8	177.8	-160.4	0	0	0	0	110	H237	H237-S239 PolarHBondContact O-N 3.47Å
240	A	36	Very low	37.5	Very low	90 Å²	90	138.6 Å²	138.6	74%	0.744	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-76.1	122.3	176.4	0	0	0	0	0	109.8	P238 T242	P238-A240 PolarHBondContact O-N 3.15Å; A240-T242 PolarHBondContact O-N 3.08Å
241	Q	36.3	Very low	37.3	Very low	182 Å²	182	139.7 Å²	139.7	85%	0.85	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.3	125.6	172.3	-64	174.5	18.1	0	0	109.4	T243	Q241-T243 PolarHBondContact O-N 2.97Å
242	T	29.8	Very low	36.8	Very low	138 Å²	138	135.4 Å²	135.4	85%	0.847	78%	0.775	S	S	*	*			trans	-77.3	111.1	173.2	-52.8	0	0	0	0	109.6	A240	A240-T242 PolarHBondContact O-N 3.08Å
243	T	33.4	Very low	36.5	Very low	125 Å²	125	135 Å²	135	77%	0.767	78%	0.78	S	S	*	*			trans	-102.8	120	160.6	43	0	0	0	0	108.8	Q241	Q241-T243 PolarHBondContact O-N 2.97Å
244	S	35.8	Very low	35.9	Very low	95 Å²	95	134.2 Å²	134.2	66%	0.664	78%	0.781	S	S	*	*			trans	-86.3	112.5	178.8	54.2	0	0	0	0	110.9
245	Y	36.8	Very low	35.5	Very low	231 Å²	231	139 Å²	139	91%	0.906	79%	0.788	S	S	*	*			trans	-147.9	147.7	156.8	-74.3	-72.1	0	0	0	111
246	L	32.9	Very low	34.7	Very low	162 Å²	162	141.3 Å²	141.3	85%	0.848	79%	0.788	S	S	*	*			trans	-87.2	149.7	-155.6	-70	154.2	0	0	0	115.5
247	N	35	Very low	34.7	Very low	151 Å²	151	144.8 Å²	144.8	81%	0.807	80%	0.798	S	S	*	*			trans	69.3	168.4	142.7	-112.3	4.3	0	0	0	120.3
248	P	35.8	Very low	34.4	Very low	88 Å²	88	142.2 Å²	142.2	57%	0.571	79%	0.794	S	S	*	*			cis	-126.9	-177.2	-35.7	23.2	-0.9	0	0	0	111
249	F	34.1	Very low	34.6	Very low	206 Å²	206	141.6 Å²	141.6	90%	0.904	79%	0.79	S	S	*	*			trans	100.6	83.9	173.6	-61.8	-78.3	0	0	0	116.7
250	A	36.8	Very low	35.3	Very low	94 Å²	94	141.5 Å²	141.5	78%	0.777	79%	0.786	S	S	*	*			trans	-140.2	133.2	145.6	0	0	0	0	0	108.5
251	P	40.8	Very low	35.1	Very low	133 Å²	133	147.3 Å²	147.3	86%	0.864	80%	0.795	S	S	*	*			trans	-81.2	147.8	173.5	33	-30.3	0	0	0	111
252	A	33.8	Very low	34.9	Very low	77 Å²	77	143.3 Å²	143.3	64%	0.636	79%	0.792	S	S	*	*			trans	-64.4	146.8	-172.1	0	0	0	0	0	114.6
253	F	32.2	Very low	35.1	Very low	214 Å²	214	142 Å²	142	94%	0.939	79%	0.789	S	S	*	*			trans	-142.3	105.9	132.1	-92.3	-75	0	0	0	109.6
254	T	31.6	Very low	35.1	Very low	112 Å²	112	140.5 Å²	140.5	69%	0.687	78%	0.784	S	S	*	*			trans	-62.3	137.5	161.3	25.7	0	0	0	0	111.2
255	F	32.6	Very low	34.9	Very low	210 Å²	210	147.3 Å²	147.3	92%	0.921	80%	0.795	S	S	*	*				-149.6	108.3	124	-109.7	-79.4	0	0	0	108.9
256	E	28.5	Very low	34.5	Very low	148 Å²	148	143.5 Å²	143.5	69%	0.692	80%	0.796	S	S	*	*			trans	-67.5	143.9	158	-81.8	-173.4	119.3	0	0	109.7
257	L	35.9	Very low	34.3	Very low	175 Å²	175	140.4 Å²	140.4	92%	0.916	79%	0.794	S	S	*	*				-140.5	135	127.3	-77.7	-179.6	0	0	0	109.1
258	T	34.2	Very low	34.1	Very low	113 Å²	113	142.1 Å²	142.1	69%	0.693	80%	0.797	S	S	*	*			trans	-86.5	171.4	-165.2	-4.8	0	0	0	0	112.9
259	P	41.6	Very low	33.8	Very low	110 Å²	110	147 Å²	147	71%	0.714	81%	0.812	S	S	*	*			trans	-110.5	-143.4	-158.1	47.3	-38.2	0	0	0	111.5
260	P	47.9	Very low	33.5	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	80%	0.803	S	S	*	*			cis	-129.4	179.8	-30.4	35.1	-17.2	0	0	0	113.1
261	K	32.3	Very low	33.1	Very low	213 Å²	213	149 Å²	149	93%	0.926	81%	0.809	S	S	*	*			trans	-147.3	126.6	143	-142.9	171.3	-174.2	173.4	0	112.1
262	A	30.5	Very low	32.4	Very low	97 Å²	97	150.2 Å²	150.2	80%	0.802	81%	0.808	S	S	*	*			trans	-87.1	154.1	-177.9	0	0	0	0	0	112.4
263	S	34	Very low	32.2	Very low	110 Å²	110	155.2 Å²	155.2	77%	0.769	82%	0.819	S	S	*	*			trans	-150.5	119.6	142.2	-161.5	0	0	0	0	110.3
264	S	33.2	Very low	32.4	Very low	94 Å²	94	149.4 Å²	149.4	66%	0.657	81%	0.81	S	S	*	*			trans	17.2	115.5	147.8	55.1	0	0	0	0	118.6
265	R	31.5	Very low	32.5	Very low	239 Å²	239	150 Å²	150	90%	0.902	82%	0.816	S	S	*	*				55.4	111.4	88.4	-69.7	-172.4	-173.4	-178.1	2.2	114.2
266	T	29.8	Very low	32.4	Very low	151 Å²	151	149.2 Å²	149.2	93%	0.926	81%	0.812	S	S	*	*				-160.6	134.3	109.4	26.1	0	0	0	0	109.5
267	A	28.5	Very low	32.7	Very low	97 Å²	97	150 Å²	150	80%	0.802	82%	0.82	S	S	*	*			trans	-100.1	144.2	171.5	0	0	0	0	0	108.4
268	E	30.3	Very low	32.4	Very low	187 Å²	187	146.5 Å²	146.5	87%	0.874	81%	0.809	S	S	*	*			trans	-157.7	97	156.8	-99.8	174.2	-170	0	0	103.7
269	E	29.1	Very low	32.2	Very low	190 Å²	190	146.7 Å²	146.7	89%	0.888	81%	0.814	S	S	*	*				91.9	124.6	85.6	-163.1	173.9	-179.3	0	0	111.5
270	D	27.6	Very low	31.5	Very low	136 Å²	136	150.3 Å²	150.3	73%	0.727	82%	0.819	S	S	*	*			trans	-52.8	147.9	-174.4	-87	-42.9	0	0	0	114.8
271	K	28.4	Very low	30.7	Very low	207 Å²	207	150.5 Å²	150.5	90%	0.9	82%	0.821	S	S	*	*			trans	-152.4	91.3	134.8	-109.7	172	-173.2	-180	0	109.2	E273	K271-E273 PolarHBondContact O-N 3.33Å
272	D	27.6	Very low	30.8	Very low	157 Å²	157	146.4 Å²	146.4	84%	0.84	82%	0.817	S	S	*	*			trans	-62.8	117.3	160.4	-90.8	-34.3	0	0	0	109.4
273	E	28.6	Very low	30.8	Very low	183 Å²	183	151.3 Å²	151.3	86%	0.855	82%	0.823	S	S	*	*			trans	-127.4	103.5	163.3	-161.9	175.4	176.8	0	0	108.7	K271	K271-E273 PolarHBondContact O-N 3.33Å
274	A	35.8	Very low	30.4	Very low	92 Å²	92	154.4 Å²	154.4	76%	0.76	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-71	129.4	173.4	0	0	0	0	0	110.6	K276	A274-K276 PolarHBondContact O-N 3.27Å
275	P	34.4	Very low	30.3	Very low	125 Å²	125	156.9 Å²	156.9	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-82.5	118.2	170.7	29	-28.4	0	0	0	110.6	L277	P275-L277 PolarHBondContact O-N 3.38Å
276	K	31	Very low	30.5	Very low	193 Å²	193	151.2 Å²	151.2	84%	0.839	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-51.1	128.4	168	-72.8	168.2	177	170.2	0	110.9	A274 C278	A274-K276 PolarHBondContact O-N 3.27Å; K276-C278 PolarHBondContact O-N 3.27Å
277	L	33.6	Very low	30.6	Very low	165 Å²	165	155 Å²	155	86%	0.864	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-60.6	116.9	157.1	-94.4	92.5	0	0	0	108.7	P275	P275-L277 PolarHBondContact O-N 3.38Å
278	C	30.6	Very low	30.6	Very low	101 Å²	101	159.6 Å²	159.6	68%	0.682	83%	0.827	S	S	*	*			trans	-130.6	96.2	158.2	-79.9	0	0	0	0	108.7	K276 F280	K276-C278 PolarHBondContact O-N 3.27Å; C278-F280 HydrophobicContact CB-CD2 4.44Å; C278-F280 PolarHBondContact O-N 3.35Å
279	C	29.3	Very low	30.6	Very low	117 Å²	117	157.4 Å²	157.4	79%	0.791	83%	0.826	S	S	*	*			trans	-67.6	113.6	156.4	-65.6	0	0	0	0	107.5
280	F	26.6	Very low	30.6	Very low	186 Å²	186	154 Å²	154	82%	0.816	82%	0.824	S	S	*	*			trans	-127.1	109.3	165.4	-104.6	-89	0	0	0	108.3	C278	C278-F280 HydrophobicContact CB-CD2 4.44Å; C278-F280 PolarHBondContact O-N 3.35Å
281	C	32.5	Very low	30.7	Very low	120 Å²	120	153.3 Å²	153.3	81%	0.811	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-86	138.6	161.2	-59.4	0	0	0	0	108
282	P	34.9	Very low	30.7	Very low	128 Å²	128	149 Å²	149	83%	0.831	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-95.8	137.7	157.3	-7.1	25.8	0	0	0	111.6
283	E	29.1	Very low	30.7	Very low	199 Å²	199	149 Å²	149	93%	0.93	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.7	166.6	175.6	-144.8	163.7	163.6	0	0	112.4
284	E	27.1	Very low	31.2	Very low	175 Å²	175	145.2 Å²	145.2	82%	0.818	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.1	164.8	-166.2	-103	-177.4	169.2	0	0	117.1
285	L	30.8	Very low	31	Very low	146 Å²	146	146.6 Å²	146.6	76%	0.764	82%	0.821	S	S	*	*			trans	92.2	154.6	153.7	-70.8	158	0	0	0	120.1
286	P	35.8	Very low	31.2	Very low	120 Å²	120	146.1 Å²	146.1	78%	0.779	82%	0.82	S	S	*	*			cis	-128.9	173.1	8.4	33.5	-12.6	0	0	0	117.2
287	R	31.9	Very low	31.5	Very low	230 Å²	230	143.2 Å²	143.2	87%	0.868	81%	0.814	S	S	*	*			trans	-59	140.3	172.5	-67.7	177	-179.2	-159	-1.7	112.9
288	E	26.9	Very low	32	Very low	195 Å²	195	140 Å²	140	91%	0.911	80%	0.802	S	S	*	*			trans	-128.4	139	146.6	-72.3	-147.9	161.2	0	0	111
289	T	31.8	Very low	32.8	Very low	140 Å²	140	137.4 Å²	137.4	86%	0.859	78%	0.78	S	S	*	*			trans	-86.8	128.3	-180	47.1	0	0	0	0	110.4
290	S	29	Very low	33.5	Very low	120 Å²	120	136 Å²	136	84%	0.839	76%	0.764	S	S	*	*			trans	-141.3	115.2	154.8	71	0	0	0	0	110.7
291	S	29	Very low	34.4	Very low	120 Å²	120	133.1 Å²	133.1	84%	0.839	76%	0.756	S	S	*	*			trans	-78.2	127.5	172.3	128.9	0	0	0	0	109.8
292	C	28.2	Very low	35.3	Very low	116 Å²	116	131.9 Å²	131.9	78%	0.784	74%	0.735	S	S	*	*			trans	-168.4	119.5	132.7	54.1	0	0	0	0	112
293	D	27.6	Very low	36.1	Very low	157 Å²	157	128.8 Å²	128.8	84%	0.84	71%	0.711	S	S	*	*			trans	37.6	98.3	149.8	-69.3	-25.1	0	0	0	121.9
294	S	38.9	Very low	36.7	Very low	104 Å²	104	124 Å²	124	73%	0.727	70%	0.699	S	S	*	*				17.8	110.8	115	174.6	0	0	0	0	117.7
295	S	32.3	Very low	37	Very low	121 Å²	121	123.9 Å²	123.9	85%	0.846	70%	0.699	S	S	*	*			trans	-136.7	125.5	132.7	61.3	0	0	0	0	109.6
296	C	39.3	Very low	37.4	Very low	115 Å²	115	126.7 Å²	126.7	78%	0.777	71%	0.71	S	S	*	*			trans	-66.2	134.6	-173.9	-55.6	0	0	0	0	111.6
297	D	36.9	Very low	37.5	Very low	133 Å²	133	127 Å²	127	71%	0.711	71%	0.707	S	S	*	*			trans	-80.3	119.8	175.8	-129	-24.3	0	0	0	109.9	F299	D297-F299 VanDerWaalsContact C-N 3.25Å; D297-F299 PolarHBondContact O-N 3.19Å
298	P	43.1	Very low	37.7	Very low	96 Å²	96	121.6 Å²	121.6	62%	0.623	70%	0.698	S	S	*	*			trans	-83.9	24.6	-164.1	33.8	-36.8	0	0	0	114.7
299	F	47.1	Very low	38.4	Very low	47 Å²	47	117.5 Å²	117.5	21%	0.206	69%	0.686	C	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	-9.9	-166.7	-173.6	-102.3	0	0	0	115.4	F210 D297 W302	F210-F299 HydrophobicContact CD1-CZ 4.5Å; F210-F299 HydrophobicContact CE1-CD1 4.01Å; F210-F299 AromaticContact CE1-CD2 3.93Å; F210-F299 HydrophobicContact CE1-CD2 3.93Å; F210-F299 HydrophobicContact CE1-CE1 4.12Å; F210-F299 HydrophobicContact CE1-CE2 4.03Å; F210-F299 AromaticContact CE1-CG 3.92Å; F210-F299 HydrophobicContact CE1-CG 3.92Å; F210-F299 HydrophobicContact CE1-CZ 4.13Å; F210-F299 HydrophobicContact CZ-CB 4.5Å; F210-F299 HydrophobicContact CZ-CD1 4.38Å; F210-F299 HydrophobicContact CZ-CG 4.19Å; D297-F299 VanDerWaalsContact C-N 3.25Å; D297-F299 PolarHBondContact O-N 3.19Å; F299-W302 AromaticContact CD2-NE1 3.72Å; F299-W302 AromaticContact CE2-CE2 3.97Å; F299-W302 AromaticContact CE2-CZ2 3.76Å; F299-W302 HydrophobicContact CE2-CZ2 3.76Å; F299-W302 AromaticContact CE2-NE1 3.64Å; F299-W302 HydrophobicContact CZ-CZ2 4.02Å; F299-W302 PolarHBondContact O-NE1 3.12Å
300	I	45.4	Very low	38.7	Very low	89 Å²	89	116.2 Å²	116.2	46%	0.456	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.8	-22	179.5	-66.7	-61.7	0	0	0	113.1	W302 I303	I300-W302 VanDerWaalsContact C-N 3.29Å; I300-W302 PolarHBondContact O-N 3.49Å; I300-I303 PolarHBondContact O-N 3.39Å
301	D	44.6	Very low	39.3	Very low	124 Å²	124	115.9 Å²	115.9	66%	0.663	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.2	-31.9	-178	-74.2	-21.2	0	0	0	112.8	I303 S304	D301-I303 PolarHBondContact O-N 3.21Å; D301-S304 PolarHBondContact O-N 3.16Å
302	W	51.4	Low	40	Very low	94 Å²	94	115.7 Å²	115.7	36%	0.356	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	-16.4	-177.2	78.7	-64.7	0	0	0	115.8	F149 F299 I300	F149-W302 AromaticContact CD1-CH2 3.88Å; F149-W302 HydrophobicContact CD1-CH2 3.88Å; F149-W302 HydrophobicContact CD1-CZ3 4.38Å; F149-W302 HydrophobicContact CE1-CE3 4.4Å; F149-W302 AromaticContact CE1-CH2 2.94Å; F149-W302 HydrophobicContact CE1-CH2 2.94Å; F149-W302 HydrophobicContact CE1-CZ2 4.11Å; F149-W302 AromaticContact CE1-CZ3 3.13Å; F149-W302 HydrophobicContact CE1-CZ3 3.13Å; F149-W302 AromaticContact CE2-CH2 3.96Å; F149-W302 HydrophobicContact CE2-CH2 3.96Å; F149-W302 HydrophobicContact CE2-CZ3 4.23Å; F149-W302 AromaticContact CZ-CE3 3.98Å; F149-W302 HydrophobicContact CZ-CE3 3.98Å; F149-W302 AromaticContact CZ-CH2 2.99Å; F149-W302 HydrophobicContact CZ-CH2 2.99Å; F149-W302 AromaticContact CZ-CZ2 3.91Å; F149-W302 HydrophobicContact CZ-CZ2 3.91Å; F149-W302 AromaticContact CZ-CZ3 3.02Å; F149-W302 HydrophobicContact CZ-CZ3 3.02Å; F299-W302 AromaticContact CD2-NE1 3.72Å; F299-W302 AromaticContact CE2-CE2 3.97Å; F299-W302 AromaticContact CE2-CZ2 3.76Å; F299-W302 HydrophobicContact CE2-CZ2 3.76Å; F299-W302 AromaticContact CE2-NE1 3.64Å; F299-W302 HydrophobicContact CZ-CZ2 4.02Å; F299-W302 PolarHBondContact O-NE1 3.12Å; I300-W302 VanDerWaalsContact C-N 3.29Å; I300-W302 PolarHBondContact O-N 3.49Å
303	I	52.5	Low	40.9	Very low	63 Å²	63	115.6 Å²	115.6	32%	0.323	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.4	-25.6	173.9	-65.8	177.4	0	0	0	110.3	I300 D301 E305	I300-I303 PolarHBondContact O-N 3.39Å; D301-I303 PolarHBondContact O-N 3.21Å; I303-E305 VanDerWaalsContact C-N 3.29Å; I303-E305 PolarHBondContact O-N 3.3Å
304	S	41.5	Very low	41.9	Very low	99 Å²	99	112.5 Å²	112.5	69%	0.692	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-3.5	-179.1	-56.3	0	0	0	0	113.5	D301	D301-S304 PolarHBondContact O-N 3.16Å
305	E	33.7	Very low	42.2	Very low	173 Å²	173	113.2 Å²	113.2	81%	0.808	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	17	-172.8	-123.7	-178.8	-178	0	0	114.5	I303	I303-E305 VanDerWaalsContact C-N 3.29Å; I303-E305 PolarHBondContact O-N 3.3Å
306	M	38.1	Very low	43	Very low	204 Å²	204	112.5 Å²	112.5	100%	1.005	60%	0.602	S	S	*	*			trans	-118.1	0	176.5	-73.6	-113.4	-73.2	0	0	113.5	P150	P150-M306 HydrophobicContact CB-CE 3.93Å

Retrieved 306 of 306 residues in 220.4 ms (Link to these results)

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