A0A087X8J1_POEFO Loading...

Carbohydrate sulfotransferase

AlphaFold DB , UniProt , Accession A0A087X8J1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	37.6	Very low	232 Å²	232	170.5 Å²	170.5	100%	1.143	85%	0.854	S	S	*	*				0	152.1	0	-77	157.7	66.1	0	0	109.7
2	R	36.3	Very low	38.5	Very low	241 Å²	241	164.2 Å²	164.2	91%	0.909	85%	0.848	S	S	*	*			trans	62.4	111.1	170.8	-66.9	-178.8	173.7	172.5	-1.8	119
3	K	41.7	Very low	38.8	Very low	208 Å²	208	163.8 Å²	163.8	90%	0.904	85%	0.847	S	S	*	*			trans	-98.6	146.5	139.1	-73.1	-178.5	174.6	179.2	0	107.6
4	P	45.9	Very low	39.4	Very low	110 Å²	110	160.2 Å²	160.2	71%	0.714	84%	0.841	S	S	*	*				-146.5	140.8	110.8	34.3	-16.5	0	0	0	113.7
5	K	39.2	Very low	39.7	Very low	211 Å²	211	158.9 Å²	158.9	92%	0.917	83%	0.834	S	S	*	*				74.2	124.4	93	-61.7	-173.7	176.4	-177.3	0	117.6
6	G	36.6	Very low	40	Very low	72 Å²	72	151.9 Å²	151.9	74%	0.742	81%	0.812	S	S	*	*			trans	87.8	156.5	152.5	0	0	0	0	0	117.2
7	I	36.4	Very low	40.3	Very low	176 Å²	176	148.3 Å²	148.3	90%	0.903	80%	0.8	S	S	*	*			cis	-152.8	169.5	-4.4	-101.9	159.6	0	0	0	109
8	R	37.8	Very low	40.6	Very low	229 Å²	229	149.1 Å²	149.1	86%	0.864	80%	0.796	S	S	*	*			trans	-80.5	178.1	-176.1	-71.5	171.9	159.8	168.7	-7.6	115.4
9	M	34.4	Very low	41	Very low	178 Å²	178	146.2 Å²	146.2	88%	0.877	78%	0.779	S	S	*	*			trans	77.2	147.9	168.4	-67.9	172.1	62.5	0	0	114.4
10	V	37.1	Very low	41.4	Very low	117 Å²	117	143.6 Å²	143.6	71%	0.709	77%	0.768	S	S	*	*			cis	-161.3	158.8	6.4	111.5	0	0	0	0	106.6
11	S	34.1	Very low	41.6	Very low	101 Å²	101	140.9 Å²	140.9	71%	0.706	76%	0.757	S	S	*	*			cis	-170.9	173	-26.5	-96.2	0	0	0	0	109.4
12	A	47.8	Very low	42.2	Very low	95 Å²	95	134.5 Å²	134.5	79%	0.785	73%	0.727	S	S	*	*			trans	45.1	107.2	157.2	0	0	0	0	0	120.8
13	L	41.9	Very low	42.4	Very low	159 Å²	159	129.5 Å²	129.5	83%	0.832	71%	0.711	S	S	*	*			trans	-160.2	2.7	151.5	-114.3	157.7	0	0	0	117.5
14	C	47.7	Very low	42.3	Very low	114 Å²	114	127.9 Å²	127.9	77%	0.77	70%	0.701	S	S	*	*	S	Bend	trans	-103.6	-5.3	-171.7	-63.5	0	0	0	0	117.4
15	L	44.2	Very low	42	Very low	141 Å²	141	130.7 Å²	130.7	74%	0.738	70%	0.702	S	S	*	*	S	Bend	trans	-89.2	-23	176.1	-100.8	77.6	0	0	0	114.1
16	G	44.2	Very low	42	Very low	46 Å²	46	127 Å²	127	47%	0.474	69%	0.693	S	S	.	*	H	α-helix	trans	-65.3	-45.7	-176.5	0	0	0	0	0	113.3	F18 I19 V20	G16-F18 PolarHBondContact O-N 2.75Å; G16-I19 PolarHBondContact O-N 2.91Å; G16-V20 WeakPolarHBondContact O-CG2 3.49Å; G16-V20 PolarHBondContact O-N 2.72Å; G16-V20 VanDerWaalsContact O-N 3.11Å
17	C	45.8	Very low	42.2	Very low	91 Å²	91	127.3 Å²	127.3	62%	0.615	68%	0.683	S	S	*	*	H	α-helix	trans	-65.4	-35.2	-175.2	-60.7	0	0	0	0	113.3	V21	C17-V21 WeakPolarHBondContact O-CG2 3.48Å; C17-V21 PolarHBondContact O-N 2.66Å
18	F	44.4	Very low	42.4	Very low	163 Å²	163	123 Å²	123	72%	0.715	67%	0.669	S	S	*	*	H	α-helix	trans	-70.6	-37.4	178.7	-105.4	-84.8	0	0	0	112.7	G16 I22	G16-F18 PolarHBondContact O-N 2.75Å; F18-I22 WeakPolarHBondContact O-CG1 3.37Å; F18-I22 PolarHBondContact O-N 3.23Å
19	I	49.7	Very low	42.6	Very low	93 Å²	93	119.7 Å²	119.7	48%	0.477	67%	0.667	S	S	.	*	H	α-helix	trans	-72.2	-40.8	179.1	-64.2	174.7	0	0	0	110.7	G16 V21 I22 F23	G16-I19 PolarHBondContact O-N 2.91Å; I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 PolarHBondContact O-N 2.94Å; I19-I22 PolarHBondContact O-N 3.25Å; I19-F23 HydrophobicContact CG2-CD2 3.78Å; I19-F23 HydrophobicContact CG2-CE2 3.85Å; I19-F23 WeakPolarHBondContact O-CD2 3.38Å; I19-F23 PolarHBondContact O-N 2.96Å; I19-F23 VanDerWaalsContact O-N 3.08Å
20	V	47.7	Very low	42.5	Very low	94 Å²	94	120 Å²	120	57%	0.57	66%	0.664	S	S	*	*	H	α-helix	trans	-63	-39	178.3	173.8	0	0	0	0	111.8	G16 I22 F23 Y24	G16-V20 WeakPolarHBondContact O-CG2 3.49Å; G16-V20 PolarHBondContact O-N 2.72Å; G16-V20 VanDerWaalsContact O-N 3.11Å; V20-I22 PolarHBondContact O-N 2.87Å; V20-F23 PolarHBondContact O-N 2.95Å; V20-Y24 WeakPolarHBondContact O-CB 3.25Å; V20-Y24 PolarHBondContact O-N 2.79Å
21	V	47.1	Very low	42.3	Very low	87 Å²	87	120.1 Å²	120.1	53%	0.527	67%	0.667	S	S	.	*	H	α-helix	trans	-64.6	-38.9	176.3	172.2	0	0	0	0	112	C17 I19 Y24 F25	C17-V21 WeakPolarHBondContact O-CG2 3.48Å; C17-V21 PolarHBondContact O-N 2.66Å; I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 PolarHBondContact O-N 2.94Å; V21-Y24 PolarHBondContact O-N 2.85Å; V21-F25 HydrophobicContact CG1-CD2 4.29Å; V21-F25 PolarHBondContact O-N 2.88Å; V21-F25 VanDerWaalsContact O-N 3.09Å
22	I	46.7	Very low	42.1	Very low	99 Å²	99	124.2 Å²	124.2	51%	0.508	68%	0.675	S	S	.	*	H	α-helix	trans	-64.7	-43.6	176.4	-69.1	166.7	0	0	0	111	F18 I19 V20 N26	F18-I22 WeakPolarHBondContact O-CG1 3.37Å; F18-I22 PolarHBondContact O-N 3.23Å; I19-I22 PolarHBondContact O-N 3.25Å; V20-I22 PolarHBondContact O-N 2.87Å; I22-N26 PolarHBondContact O-N 3.3Å; I22-N26 VanDerWaalsContact O-N 3.11Å
23	F	39.6	Very low	41.1	Very low	135 Å²	135	128.7 Å²	128.7	59%	0.592	68%	0.679	S	S	*	*	H	α-helix	trans	-69.9	-34.2	177	-84	-76.3	0	0	0	113.4	I19 V20 N26 S27	I19-F23 HydrophobicContact CG2-CD2 3.78Å; I19-F23 HydrophobicContact CG2-CE2 3.85Å; I19-F23 WeakPolarHBondContact O-CD2 3.38Å; I19-F23 PolarHBondContact O-N 2.96Å; I19-F23 VanDerWaalsContact O-N 3.08Å; V20-F23 PolarHBondContact O-N 2.95Å; F23-N26 PolarHBondContact O-N 3.28Å; F23-S27 WeakPolarHBondContact O-CB 3.47Å; F23-S27 PolarHBondContact O-N 3.07Å; F23-S27 VanDerWaalsContact O-N 3.13Å; F23-S27 PolarHBondContact O-OG 3.32Å
24	Y	41.1	Very low	40.6	Very low	175 Å²	175	128.4 Å²	128.4	69%	0.686	68%	0.678	S	S	*	*	H	α-helix	trans	-67.8	-38.7	176.8	-137.9	-92.4	0	0	0	111.9	V20 V21 S27	V20-Y24 WeakPolarHBondContact O-CB 3.25Å; V20-Y24 PolarHBondContact O-N 2.79Å; V21-Y24 PolarHBondContact O-N 2.85Å; Y24-S27 PolarHBondContact O-N 2.92Å
25	F	39.1	Very low	39.8	Very low	169 Å²	169	128.1 Å²	128.1	74%	0.741	68%	0.677	S	S	*	*	H	α-helix	trans	-70.9	-29.6	174.3	-98.1	-84.5	0	0	0	113.8	V21	V21-F25 HydrophobicContact CG1-CD2 4.29Å; V21-F25 PolarHBondContact O-N 2.88Å; V21-F25 VanDerWaalsContact O-N 3.09Å
26	N	39.6	Very low	39.2	Very low	133 Å²	133	130.2 Å²	130.2	71%	0.711	68%	0.683	S	S	*	*	H	α-helix	trans	-79	-12.4	173.4	-95.2	-13.4	0	0	0	114.4	I22 F23	I22-N26 PolarHBondContact O-N 3.3Å; I22-N26 VanDerWaalsContact O-N 3.11Å; F23-N26 PolarHBondContact O-N 3.28Å
27	S	39.2	Very low	38.5	Very low	78 Å²	78	139.3 Å²	139.3	55%	0.545	70%	0.703	S	S	.	*	H	α-helix	trans	-99.9	-12.1	-172.9	-59.6	0	0	0	0	115	F23 Y24	F23-S27 WeakPolarHBondContact O-CB 3.47Å; F23-S27 PolarHBondContact O-N 3.07Å; F23-S27 VanDerWaalsContact O-N 3.13Å; F23-S27 PolarHBondContact O-OG 3.32Å; Y24-S27 PolarHBondContact O-N 2.92Å
28	S	41.8	Very low	38	Very low	85 Å²	85	140.7 Å²	140.7	59%	0.594	71%	0.714	S	S	*	*	S	Bend	trans	-112.4	18.2	-170.9	-64.3	0	0	0	0	115.1
29	L	41.1	Very low	37.7	Very low	160 Å²	160	137.6 Å²	137.6	84%	0.838	71%	0.712	S	S	*	*			trans	-122.8	62.7	165.9	-75.9	172.4	0	0	0	110.5
30	K	33.6	Very low	37.1	Very low	186 Å²	186	137.1 Å²	137.1	81%	0.809	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-73.4	125.3	155.8	-72.1	-175.8	178.4	179.9	0	107.6	E32	K30-E32 PolarHBondContact O-N 3.35Å
31	P	32.8	Very low	36.6	Very low	119 Å²	119	140.7 Å²	140.7	77%	0.773	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-60.8	131.6	165.7	-16.2	29.8	0	0	0	108.5	H33	P31-H33 PolarHBondContact O-N 3.13Å
32	E	28.4	Very low	36.3	Very low	186 Å²	186	146.3 Å²	146.3	87%	0.869	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-61.9	123.3	164.4	-82.9	-171.2	129.4	0	0	108.4	K30 L34	K30-E32 PolarHBondContact O-N 3.35Å; E32-L34 PolarHBondContact O-N 3.02Å
33	H	28.3	Very low	36.5	Very low	189 Å²	189	148.4 Å²	148.4	88%	0.875	78%	0.776	S	S	*	*			trans	-78.2	76.5	-176.8	-145.9	-57.7	0	0	0	108.9	P31 S35	P31-H33 PolarHBondContact O-N 3.13Å; H33-S35 PolarHBondContact O-N 2.86Å
34	L	31.5	Very low	37.9	Very low	154 Å²	154	150.1 Å²	150.1	81%	0.806	78%	0.779	S	S	*	*			trans	-57.3	124.6	166.9	-83.1	167.6	0	0	0	108	E32 E36	E32-L34 PolarHBondContact O-N 3.02Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 3.37Å
35	S	29.3	Very low	39.8	Very low	108 Å²	108	147.5 Å²	147.5	76%	0.755	77%	0.767	S	S	*	*			trans	-66.9	87.6	-177.2	161.1	0	0	0	0	110.5	H33 R37	H33-S35 PolarHBondContact O-N 2.86Å; S35-R37 PolarHBondContact O-N 3.03Å
36	E	31.6	Very low	42.3	Very low	185 Å²	185	141.2 Å²	141.2	86%	0.864	74%	0.744	S	S	*	*			trans	-63.5	106.3	162.9	-79.8	-166.2	152.5	0	0	109.4	L34 S38	L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 3.37Å; E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.02Å
37	R	30.3	Very low	44.6	Very low	236 Å²	236	135.2 Å²	135.2	89%	0.891	71%	0.713	S	S	*	*			trans	-72.5	90.6	174.4	-164.3	178	-167	-179.6	3.7	107.8	S35 S39	S35-R37 PolarHBondContact O-N 3.03Å; R37-S39 PolarHBondContact O-N 3.03Å
38	S	35.6	Very low	47	Very low	121 Å²	121	132.5 Å²	132.5	85%	0.846	69%	0.692	S	S	*	*			trans	-51	104.2	-178.5	-176.6	0	0	0	0	111.7	E36	E36-S38 VanDerWaalsContact C-N 3.32Å; E36-S38 PolarHBondContact O-N 3.02Å
39	S	37.5	Very low	49.3	Very low	97 Å²	97	132.8 Å²	132.8	68%	0.678	68%	0.684	S	S	*	*			trans	-105.5	124.7	161.2	177.3	0	0	0	0	106.1	R37 Q41	R37-S39 PolarHBondContact O-N 3.03Å; S39-Q41 PolarHBondContact O-N 3.07Å
40	G	36.4	Very low	51.3	Low	84 Å²	84	126 Å²	126	87%	0.866	65%	0.65	S	S	*	*			trans	-69.7	70.5	-172.1	0	0	0	0	0	114.1
41	Q	38.6	Very low	53.9	Low	168 Å²	168	118.3 Å²	118.3	79%	0.785	62%	0.617	S	S	*	*			trans	-89.9	129.4	160.6	-74	-177.7	-28.5	0	0	108.8	S39 T43	S39-Q41 PolarHBondContact O-N 3.07Å; Q41-T43 PolarHBondContact O-N 2.72Å
42	K	39.3	Very low	56.3	Low	205 Å²	205	119 Å²	119	89%	0.891	61%	0.605	S	S	*	*			trans	-54.9	128.8	165.7	-66.9	178.6	177.9	179.6	0	107.5	R44	K42-R44 PolarHBondContact O-N 2.91Å
43	T	52.1	Low	58.7	Low	143 Å²	143	114.8 Å²	114.8	88%	0.877	59%	0.586	S	S	*	*			trans	-59.7	101.3	177.3	33.9	0	0	0	0	109.5	Q41 R45	Q41-T43 PolarHBondContact O-N 2.72Å; T43-R45 PolarHBondContact O-N 3.06Å
44	R	69.6	Low	60.3	Low	172 Å²	172	108.6 Å²	108.6	65%	0.649	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-66.5	121.2	180	-177.9	173.9	169.1	168.5	-4.4	108.3	K42 A278 G279	K42-R44 PolarHBondContact O-N 2.91Å; R44-A278 PolarHBondContact NH2-O 3.39Å; R44-G279 PolarHBondContact NH2-O 3.44Å
45	R	80.4	Confident	61.5	Low	119 Å²	119	105.9 Å²	105.9	45%	0.449	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-53.8	144.1	176.1	-75.6	173	157.9	146.2	-5.1	110.5	T43 Q49 E53 E55	T43-R45 PolarHBondContact O-N 3.06Å; R45-Q49 HydrophobicContact CB-CB 4.36Å; R45-E53 IonicContact CZ-OE2 2.72Å; R45-E53 IonicContact NE-OE2 3.52Å; R45-E53 PolarHBondContact NE-OE2 3.12Å; R45-E53 IonicContact NH2-OE2 3.94Å; R45-E53 PolarHBondContact NH2-OE2 3.48Å; R45-E55 WeakPolarHBondContact CD-OE1 3.49Å; R45-E55 IonicContact CZ-OE1 3.69Å; R45-E55 IonicContact NE-OE1 3.45Å; R45-E55 IonicContact NH1-OE1 3.78Å; R45-E55 PolarHBondContact NH1-OE1 2.92Å
46	S	90.4	Very high	62.6	Low	37 Å²	37	110.5 Å²	110.5	26%	0.259	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-71.7	156.9	171.6	83.7	0	0	0	0	110.6	L48 Q49 S50	S46-L48 PolarHBondContact O-N 2.87Å; S46-Q49 WeakPolarHBondContact O-CB 3.45Å; S46-Q49 PolarHBondContact O-N 3.2Å; S46-Q49 WeakPolarHBondContact OG-CG 3.38Å; S46-Q49 PolarHBondContact OG-N 3.24Å; S46-Q49 VanDerWaalsContact OG-N 3.17Å; S46-S50 PolarHBondContact O-N 3.44Å; S46-S50 PolarHBondContact O-OG 2.99Å; S46-S50 VanDerWaalsContact O-OG 3.09Å
47	P	88.5	Confident	63.8	Low	8 Å²	8	102.9 Å²	102.9	5%	0.052	53%	0.532	C	S	.	.	H	α-helix	trans	-63.7	-27.9	-179.2	-22.5	35.4	0	0	0	112.9	L51 H100 L102 L165 L277	P47-L51 PolarHBondContact O-N 3.28Å; P47-L51 VanDerWaalsContact O-N 3.14Å; P47-H100 WeakPolarHBondContact CD-O 3.42Å; P47-H100 WeakPolarHBondContact CG-O 3.37Å; P47-L102 HydrophobicContact CB-CD2 4.21Å; P47-L102 HydrophobicContact CG-CD2 4.06Å; P47-L165 HydrophobicContact CB-CB 3.82Å; P47-L165 HydrophobicContact CB-CD2 3.92Å; P47-L165 HydrophobicContact CB-CG 4.38Å; P47-L277 VanDerWaalsContact CA-O 3.24Å; P47-L277 WeakPolarHBondContact CA-O 3.32Å; P47-L277 HydrophobicContact CB-CB 4.4Å; P47-L277 WeakPolarHBondContact CB-O 3.34Å
48	L	90.6	Very high	65.4	Low	21 Å²	21	96.4 Å²	96.4	11%	0.11	51%	0.512	C	S	.	.	H	α-helix	trans	-71.7	-38.8	174.7	-168.2	62.3	0	0	0	111.6	S46 L51 Y52 L165 D259	S46-L48 PolarHBondContact O-N 2.87Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-Y52 HydrophobicContact CD1-CD2 4.2Å; L48-Y52 HydrophobicContact CD1-CE2 3.63Å; L48-Y52 HydrophobicContact CG-CD2 4.19Å; L48-Y52 HydrophobicContact CG-CE2 3.95Å; L48-Y52 WeakPolarHBondContact O-CD2 3.35Å; L48-Y52 PolarHBondContact O-N 2.65Å; L48-L165 HydrophobicContact CD1-CD1 4.21Å; L48-D259 HydrophobicContact CD1-CB 4.18Å; L48-D259 VanDerWaalsContact CD1-CG 3.41Å; L48-D259 WeakPolarHBondContact CD1-OD1 3.35Å; L48-D259 WeakPolarHBondContact CD1-OD2 3.42Å
49	Q	88.6	Confident	67.3	Low	91 Å²	91	95.6 Å²	95.6	43%	0.425	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-46.5	171	-74.4	170.3	-35.9	0	0	111	R45 S46 L51 Y52 E53	R45-Q49 HydrophobicContact CB-CB 4.36Å; S46-Q49 WeakPolarHBondContact O-CB 3.45Å; S46-Q49 PolarHBondContact O-N 3.2Å; S46-Q49 WeakPolarHBondContact OG-CG 3.38Å; S46-Q49 PolarHBondContact OG-N 3.24Å; S46-Q49 VanDerWaalsContact OG-N 3.17Å; Q49-L51 PolarHBondContact O-N 3.48Å; Q49-Y52 PolarHBondContact O-N 3.07Å; Q49-Y52 VanDerWaalsContact O-N 3.1Å; Q49-E53 WeakPolarHBondContact O-CB 3.45Å; Q49-E53 WeakPolarHBondContact O-CG 3.46Å; Q49-E53 PolarHBondContact O-N 3.14Å
50	S	84.7	Confident	69.7	Low	16 Å²	16	94.3 Å²	94.3	11%	0.112	50%	0.502	C	S	.	.	H	α-helix	trans	-57.5	-34.9	178.5	-53.5	0	0	0	0	112.9	S46	S46-S50 PolarHBondContact O-N 3.44Å; S46-S50 PolarHBondContact O-OG 2.99Å; S46-S50 VanDerWaalsContact O-OG 3.09Å
51	L	87.3	Confident	72.3	Confident	25 Å²	25	90.5 Å²	90.5	13%	0.131	46%	0.462	C	S	.	.	H	α-helix	trans	-67.1	-44.9	174.4	178	66.2	0	0	0	113	P47 L48 Q49 L165 D259 Y273 L277	P47-L51 PolarHBondContact O-N 3.28Å; P47-L51 VanDerWaalsContact O-N 3.14Å; L48-L51 PolarHBondContact O-N 3.43Å; Q49-L51 PolarHBondContact O-N 3.48Å; L51-L165 HydrophobicContact CB-CD1 4.41Å; L51-L165 HydrophobicContact CD2-CD1 3.89Å; L51-D259 HydrophobicContact CD2-CB 3.65Å; L51-Y273 HydrophobicContact CD1-CE1 4.49Å; L51-Y273 VanDerWaalsContact CD1-OH 3.24Å; L51-Y273 WeakPolarHBondContact CD1-OH 3.48Å; L51-L277 HydrophobicContact CB-CD1 4.41Å; L51-L277 HydrophobicContact CB-CD2 4.02Å; L51-L277 HydrophobicContact CD1-CD1 4.1Å; L51-L277 HydrophobicContact CD1-CD2 4.37Å
52	Y	83.9	Confident	74.8	Confident	133 Å²	133	83.9 Å²	83.9	52%	0.522	44%	0.436	S	S	.	.	H	α-helix	trans	-84.3	-27.9	-175.8	-73.6	-64.2	0	0	0	114	L48 Q49 G54	L48-Y52 HydrophobicContact CD1-CD2 4.2Å; L48-Y52 HydrophobicContact CD1-CE2 3.63Å; L48-Y52 HydrophobicContact CG-CD2 4.19Å; L48-Y52 HydrophobicContact CG-CE2 3.95Å; L48-Y52 WeakPolarHBondContact O-CD2 3.35Å; L48-Y52 PolarHBondContact O-N 2.65Å; Q49-Y52 PolarHBondContact O-N 3.07Å; Q49-Y52 VanDerWaalsContact O-N 3.1Å; Y52-G54 VanDerWaalsContact C-N 3.29Å
53	E	77.6	Confident	77.4	Confident	98 Å²	98	76.9 Å²	76.9	46%	0.458	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-1.3	179.4	-67.3	178.4	-146.1	0	0	113.1	R45 Q49 E55	R45-E53 IonicContact CZ-OE2 2.72Å; R45-E53 IonicContact NE-OE2 3.52Å; R45-E53 PolarHBondContact NE-OE2 3.12Å; R45-E53 IonicContact NH2-OE2 3.94Å; R45-E53 PolarHBondContact NH2-OE2 3.48Å; Q49-E53 WeakPolarHBondContact O-CB 3.45Å; Q49-E53 WeakPolarHBondContact O-CG 3.46Å; Q49-E53 PolarHBondContact O-N 3.14Å; E53-E55 PolarHBondContact O-N 3.32Å
54	G	62.9	Low	79.5	Confident	60 Å²	60	73.3 Å²	73.3	62%	0.619	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	38.6	166.3	0	0	0	0	0	114.7	Y52	Y52-G54 VanDerWaalsContact C-N 3.29Å
55	E	56.8	Low	80.8	Confident	96 Å²	96	65.1 Å²	65.1	45%	0.449	36%	0.363	S	S	.	.			trans	-58.8	158.8	168.5	-74.6	-169	174.8	0	0	111.2	R45 E53 V57	R45-E55 WeakPolarHBondContact CD-OE1 3.49Å; R45-E55 IonicContact CZ-OE1 3.69Å; R45-E55 IonicContact NE-OE1 3.45Å; R45-E55 IonicContact NH1-OE1 3.78Å; R45-E55 PolarHBondContact NH1-OE1 2.92Å; E53-E55 PolarHBondContact O-N 3.32Å; E55-V57 PolarHBondContact O-N 3.35Å
56	Q	52	Low	81.5	Confident	205 Å²	205	63.8 Å²	63.8	96%	0.958	36%	0.362	S	S	*	.	S	Bend	trans	-69.6	39.2	-165.4	-62.1	-179.2	-26	0	0	115.8
57	V	56.3	Low	81.8	Confident	25 Å²	25	63.6 Å²	63.6	15%	0.152	37%	0.365	C	S	.	.	S	Bend	trans	-69.9	133.1	166.4	-158.7	0	0	0	0	108	E55 S59 Y273 Q276 L277	E55-V57 PolarHBondContact O-N 3.35Å; V57-S59 PolarHBondContact O-N 3.34Å; V57-Y273 HydrophobicContact CB-CD2 4.31Å; V57-Y273 HydrophobicContact CB-CE2 3.94Å; V57-Y273 HydrophobicContact CG1-CD2 3.33Å; V57-Y273 HydrophobicContact CG1-CE2 3.45Å; V57-Y273 VanDerWaalsContact CG1-CE2 3.45Å; V57-Y273 HydrophobicContact CG1-CG 4.46Å; V57-Q276 HydrophobicContact CG1-CB 4.26Å; V57-L277 HydrophobicContact CG2-CD2 4.4Å
58	E	63.4	Low	82.3	Confident	101 Å²	101	65.3 Å²	65.3	47%	0.472	37%	0.371	S	S	.	.			trans	-31.9	108.5	-171.9	-70	177.5	-175.8	0	0	112.7	A60 V61 A62 Q269	E58-A60 PolarHBondContact O-N 3.45Å; E58-V61 HydrophobicContact CB-CB 4.17Å; E58-V61 HydrophobicContact CB-CG2 3.77Å; E58-V61 WeakPolarHBondContact O-CA 3.36Å; E58-V61 WeakPolarHBondContact O-CB 3.44Å; E58-V61 PolarHBondContact O-N 3.09Å; E58-V61 VanDerWaalsContact OE2-CG2 3.25Å; E58-V61 WeakPolarHBondContact OE2-CG2 3.34Å; E58-A62 PolarHBondContact O-N 3.03Å; E58-A62 VanDerWaalsContact O-N 3.07Å; E58-Q269 PolarHBondContact OE2-NE2 3.03Å
59	S	76.4	Confident	82.6	Confident	104 Å²	104	65.7 Å²	65.7	73%	0.727	37%	0.371	S	S	*	.	H	α-helix	trans	-57.9	-31	-167	57.3	0	0	0	0	113.4	V57 A63	V57-S59 PolarHBondContact O-N 3.34Å; S59-A63 WeakPolarHBondContact O-CB 3.24Å; S59-A63 PolarHBondContact O-N 3.42Å
60	A	88.3	Confident	83	Confident	69 Å²	69	66.1 Å²	66.1	57%	0.57	37%	0.373	S	S	*	.	H	α-helix	trans	-63.6	-41.3	172	0	0	0	0	0	113.1	E58 A63 V64	E58-A60 PolarHBondContact O-N 3.45Å; A60-A63 PolarHBondContact O-N 2.83Å; A60-V64 VanDerWaalsContact O-CG2 3.28Å; A60-V64 WeakPolarHBondContact O-CG2 3.35Å; A60-V64 PolarHBondContact O-N 3.43Å
61	V	91.1	Very high	83.6	Confident	5 Å²	5	67.6 Å²	67.6	3%	0.03	38%	0.379	C	S	.	.	H	α-helix	trans	-72.2	-40.4	179.4	-174.3	0	0	0	0	110.8	E58 V64 H65 Q269 Y273	E58-V61 HydrophobicContact CB-CB 4.17Å; E58-V61 HydrophobicContact CB-CG2 3.77Å; E58-V61 WeakPolarHBondContact O-CA 3.36Å; E58-V61 WeakPolarHBondContact O-CB 3.44Å; E58-V61 PolarHBondContact O-N 3.09Å; E58-V61 VanDerWaalsContact OE2-CG2 3.25Å; E58-V61 WeakPolarHBondContact OE2-CG2 3.34Å; V61-V64 PolarHBondContact O-N 3.09Å; V61-H65 PolarHBondContact O-CD2 3.37Å; V61-H65 VanDerWaalsContact O-CD2 3.31Å; V61-H65 PolarHBondContact O-N 2.82Å; V61-Q269 HydrophobicContact CG1-CG 4.23Å; V61-Q269 HydrophobicContact CG2-CG 3.8Å; V61-Y273 HydrophobicContact CB-CD2 4.1Å; V61-Y273 HydrophobicContact CG1-CD2 3.54Å; V61-Y273 HydrophobicContact CG1-CE2 4.25Å; V61-Y273 HydrophobicContact CG1-CG 3.75Å
62	A	91.4	Very high	84.1	Confident	29 Å²	29	66.7 Å²	66.7	24%	0.24	38%	0.375	C	S	.	.	H	α-helix	trans	-58.7	-47.3	172.2	0	0	0	0	0	111.5	E58 V64 H65 Q66 Y273	E58-A62 PolarHBondContact O-N 3.03Å; E58-A62 VanDerWaalsContact O-N 3.07Å; A62-V64 PolarHBondContact O-N 3.2Å; A62-H65 PolarHBondContact O-N 3.12Å; A62-Q66 WeakPolarHBondContact O-CB 3.22Å; A62-Q66 PolarHBondContact O-N 3.38Å; A62-Y273 HydrophobicContact CB-CE2 4.09Å
63	A	93.2	Very high	84.6	Confident	57 Å²	57	64.8 Å²	64.8	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-62.1	-39.2	175.8	0	0	0	0	0	112.8	S59 A60 Q66 G67	S59-A63 WeakPolarHBondContact O-CB 3.24Å; S59-A63 PolarHBondContact O-N 3.42Å; A60-A63 PolarHBondContact O-N 2.83Å; A63-Q66 PolarHBondContact O-N 3.06Å; A63-G67 PolarHBondContact O-N 3.47Å
64	V	96	Very high	85.5	Confident	69 Å²	69	66.4 Å²	66.4	42%	0.418	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-44.3	174.6	164.7	0	0	0	0	111.5	A60 V61 A62 R68	A60-V64 VanDerWaalsContact O-CG2 3.28Å; A60-V64 WeakPolarHBondContact O-CG2 3.35Å; A60-V64 PolarHBondContact O-N 3.43Å; V61-V64 PolarHBondContact O-N 3.09Å; A62-V64 PolarHBondContact O-N 3.2Å; V64-R68 VanDerWaalsContact O-CG 3.23Å; V64-R68 WeakPolarHBondContact O-CG 3.46Å; V64-R68 PolarHBondContact O-N 2.92Å; V64-R68 VanDerWaalsContact O-N 3.1Å
65	H	96.1	Very high	87	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-72.4	-33.8	178	-73.7	-62	0	0	0	113.1	V61 A62 R68 R69 V261 D270 Y273	V61-H65 PolarHBondContact O-CD2 3.37Å; V61-H65 VanDerWaalsContact O-CD2 3.31Å; V61-H65 PolarHBondContact O-N 2.82Å; A62-H65 PolarHBondContact O-N 3.12Å; H65-R68 PolarHBondContact O-N 3.45Å; H65-R69 WeakPolarHBondContact O-CB 3.37Å; H65-R69 PolarHBondContact O-N 3.28Å; H65-V261 PolarHBondContact CE1-O 2.72Å; H65-V261 PolarHBondContact ND1-O 2.9Å; H65-V261 VanDerWaalsContact ND1-O 3.1Å; H65-D270 IonicContact CE1-OD1 3.75Å; H65-D270 IonicContact CE1-OD2 2.7Å; H65-D270 PolarHBondContact CE1-OD2 2.8Å; H65-D270 IonicContact NE2-OD1 3.46Å; H65-Y273 HydrophobicContact CB-CE1 4.15Å; H65-Y273 AromaticContact CD2-CD1 3.23Å; H65-Y273 WeakPolarHBondContact CD2-CD1 3.43Å; H65-Y273 AromaticContact CD2-CE1 3.44Å; H65-Y273 VanDerWaalsContact CD2-CE1 3.44Å; H65-Y273 WeakPolarHBondContact CD2-CE1 3.41Å; H65-Y273 AromaticContact CD2-CG 3.76Å; H65-Y273 AromaticContact CG-CE1 4Å; H65-Y273 AromaticContact NE2-CD1 3.6Å; H65-Y273 AromaticContact NE2-CG 3.99Å
66	Q	95.6	Very high	88.9	Confident	91 Å²	91	60 Å²	60	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-58.1	-55	170	174.3	173.4	-5.7	0	0	111.2	A62 A63 R68 R69 E70	A62-Q66 WeakPolarHBondContact O-CB 3.22Å; A62-Q66 PolarHBondContact O-N 3.38Å; A63-Q66 PolarHBondContact O-N 3.06Å; Q66-R68 VanDerWaalsContact C-N 3.28Å; Q66-R68 PolarHBondContact O-N 3.43Å; Q66-R69 WeakPolarHBondContact O-CB 3.37Å; Q66-R69 PolarHBondContact O-N 3.38Å; Q66-E70 HydrophobicContact CG-CG 4.39Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 2.94Å; Q66-E70 WeakPolarHBondContact O-CG 3.28Å; Q66-E70 PolarHBondContact O-N 3.06Å
67	G	97.4	Very high	90.8	Very high	32 Å²	32	57.7 Å²	57.7	33%	0.33	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-32.2	-179.4	0	0	0	0	0	113.5	A63 L71	A63-G67 PolarHBondContact O-N 3.47Å; G67-L71 VanDerWaalsContact O-CB 3.31Å; G67-L71 WeakPolarHBondContact O-CB 3.47Å; G67-L71 PolarHBondContact O-N 3.45Å
68	R	98	Very high	92.6	Very high	44 Å²	44	59.4 Å²	59.4	17%	0.166	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-35.7	172.6	-72	172	-173.4	-175.5	6.4	113	V64 H65 Q66 L72 V261 T266 D270	V64-R68 VanDerWaalsContact O-CG 3.23Å; V64-R68 WeakPolarHBondContact O-CG 3.46Å; V64-R68 PolarHBondContact O-N 2.92Å; V64-R68 VanDerWaalsContact O-N 3.1Å; H65-R68 PolarHBondContact O-N 3.45Å; Q66-R68 VanDerWaalsContact C-N 3.28Å; Q66-R68 PolarHBondContact O-N 3.43Å; R68-L72 WeakPolarHBondContact O-CB 3.31Å; R68-L72 PolarHBondContact O-N 2.81Å; R68-L72 VanDerWaalsContact O-N 3.14Å; R68-V261 HydrophobicContact CB-CB 4.2Å; R68-V261 VanDerWaalsContact CD-O 3.25Å; R68-V261 WeakPolarHBondContact CD-O 3.33Å; R68-V261 PolarHBondContact NH1-O 2.04Å; R68-T266 PolarHBondContact NH2-OG1 3.08Å; R68-D270 IonicContact CZ-OD2 3.41Å; R68-D270 IonicContact NH1-OD1 3.45Å; R68-D270 IonicContact NH1-OD2 3.45Å; R68-D270 PolarHBondContact NH1-OD2 2.7Å; R68-D270 IonicContact NH2-OD1 3.88Å; R68-D270 IonicContact NH2-OD2 2.67Å
69	R	96.9	Very high	93.8	Very high	29 Å²	29	60.2 Å²	60.2	11%	0.109	34%	0.336	C	S	.	.	H	α-helix	trans	-71.8	-46.6	177.2	-179.4	176.5	64.4	-120.9	-2.7	111.1	H65 Q66 L71 L72 E73 Y258 D259	H65-R69 WeakPolarHBondContact O-CB 3.37Å; H65-R69 PolarHBondContact O-N 3.28Å; Q66-R69 WeakPolarHBondContact O-CB 3.37Å; Q66-R69 PolarHBondContact O-N 3.38Å; R69-L71 PolarHBondContact O-N 3.38Å; R69-L72 WeakPolarHBondContact O-CB 3.46Å; R69-L72 PolarHBondContact O-N 3.28Å; R69-E73 WeakPolarHBondContact CG-OE1 3.23Å; R69-E73 WeakPolarHBondContact O-CG 3.39Å; R69-E73 PolarHBondContact O-N 3.32Å; R69-Y258 WeakPolarHBondContact CD-O 3.04Å; R69-D259 PolarHBondContact NH1-O 3.18Å
70	E	97.1	Very high	94.2	Very high	100 Å²	100	57.8 Å²	57.8	47%	0.467	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-46.8	176.1	-70.4	168.2	178.6	0	0	111.7	Q66 L72 E73 E74	Q66-E70 HydrophobicContact CG-CG 4.39Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.33Å; Q66-E70 PolarHBondContact NE2-OE1 2.94Å; Q66-E70 WeakPolarHBondContact O-CG 3.28Å; Q66-E70 PolarHBondContact O-N 3.06Å; E70-L72 PolarHBondContact O-N 3.23Å; E70-E73 PolarHBondContact O-N 2.86Å; E70-E74 PolarHBondContact O-N 2.96Å
71	L	97.2	Very high	93.4	Very high	48 Å²	48	65.8 Å²	65.8	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-62.5	-41.5	175.7	-176.3	152.4	0	0	0	112.4	G67 R69 E73 E74 A75 N327	G67-L71 VanDerWaalsContact O-CB 3.31Å; G67-L71 WeakPolarHBondContact O-CB 3.47Å; G67-L71 PolarHBondContact O-N 3.45Å; R69-L71 PolarHBondContact O-N 3.38Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-E73 PolarHBondContact O-N 3.11Å; L71-E74 PolarHBondContact O-N 3.3Å; L71-A75 VanDerWaalsContact O-CB 3.27Å; L71-A75 WeakPolarHBondContact O-CB 3.19Å; L71-A75 PolarHBondContact O-N 3Å; L71-N327 HydrophobicContact CD1-CB 3.63Å; L71-N327 WeakPolarHBondContact CD1-ND2 3.26Å; L71-N327 HydrophobicContact CD2-CB 3.76Å; L71-N327 HydrophobicContact CG-CB 4.39Å
72	L	97.4	Very high	92.1	Very high	6 Å²	6	74.6 Å²	74.6	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-41.5	178	176.4	61.6	0	0	0	111	R68 R69 E70 C76 P253 V261 L325 F326	R68-L72 WeakPolarHBondContact O-CB 3.31Å; R68-L72 PolarHBondContact O-N 2.81Å; R68-L72 VanDerWaalsContact O-N 3.14Å; R69-L72 WeakPolarHBondContact O-CB 3.46Å; R69-L72 PolarHBondContact O-N 3.28Å; E70-L72 PolarHBondContact O-N 3.23Å; L72-C76 VanDerWaalsContact O-CB 3.24Å; L72-C76 WeakPolarHBondContact O-CB 3.44Å; L72-C76 PolarHBondContact O-N 3.38Å; L72-C76 PolarHBondContact O-SG 2.97Å; L72-P253 HydrophobicContact CD1-CB 3.94Å; L72-P253 HydrophobicContact CD1-CG 4.22Å; L72-P253 HydrophobicContact CD2-CB 3.93Å; L72-P253 HydrophobicContact CG-CB 4.32Å; L72-V261 HydrophobicContact CD2-CG2 3.71Å; L72-L325 HydrophobicContact CD1-CB 3.81Å; L72-L325 HydrophobicContact CD1-CD2 4.09Å; L72-L325 HydrophobicContact CD1-CG 4.49Å; L72-L325 VanDerWaalsContact CD1-O 3.26Å; L72-L325 WeakPolarHBondContact CD1-O 3.46Å; L72-F326 HydrophobicContact CD1-CD1 4.34Å; L72-F326 HydrophobicContact CD1-CE1 3.96Å; L72-F326 HydrophobicContact CD2-CE1 4.36Å
73	E	95.4	Very high	91.2	Very high	92 Å²	92	84.3 Å²	84.3	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-64.4	-46.1	175.1	-73.3	174.5	-150	0	0	112.5	R69 E70 L71 C76 H77 H257	R69-E73 WeakPolarHBondContact CG-OE1 3.23Å; R69-E73 WeakPolarHBondContact O-CG 3.39Å; R69-E73 PolarHBondContact O-N 3.32Å; E70-E73 PolarHBondContact O-N 2.86Å; L71-E73 VanDerWaalsContact C-N 3.31Å; L71-E73 PolarHBondContact O-N 3.11Å; E73-C76 PolarHBondContact O-N 3.49Å; E73-H77 WeakPolarHBondContact O-CB 3.4Å; E73-H77 PolarHBondContact O-N 3.35Å; E73-H257 IonicContact OE1-CE1 3.1Å; E73-H257 PolarHBondContact OE1-CE1 3.2Å; E73-H257 IonicContact OE1-ND1 3.91Å; E73-H257 PolarHBondContact OE1-ND1 2.66Å
74	E	96	Very high	91.1	Very high	133 Å²	133	87.3 Å²	87.3	62%	0.621	40%	0.4	S	S	*	.	H	α-helix	trans	-60.8	-46.2	176.6	-173.8	-173.9	-179	0	0	111.6	E70 L71 H77 S78	E70-E74 PolarHBondContact O-N 2.96Å; L71-E74 PolarHBondContact O-N 3.3Å; E74-H77 PolarHBondContact O-N 2.99Å; E74-S78 WeakPolarHBondContact O-CB 3.41Å; E74-S78 PolarHBondContact O-N 3.28Å; E74-S78 PolarHBondContact O-OG 3.05Å
75	A	95.7	Very high	90.7	Very high	9 Å²	9	90.1 Å²	90.1	7%	0.074	42%	0.417	C	S	.	.	H	α-helix	trans	-65.5	-39.8	177.3	0	0	0	0	0	111.4	L71 S78 Y79 L325	L71-A75 VanDerWaalsContact O-CB 3.27Å; L71-A75 WeakPolarHBondContact O-CB 3.19Å; L71-A75 PolarHBondContact O-N 3Å; A75-S78 PolarHBondContact O-N 3.45Å; A75-Y79 HydrophobicContact CB-CD2 4.27Å; A75-Y79 HydrophobicContact CB-CE2 4.49Å; A75-Y79 WeakPolarHBondContact O-CB 3.47Å; A75-Y79 VanDerWaalsContact O-CD2 3.22Å; A75-Y79 WeakPolarHBondContact O-CD2 3.14Å; A75-Y79 PolarHBondContact O-N 2.79Å; A75-L325 HydrophobicContact CB-CD2 3.87Å
76	C	95.4	Very high	90.5	Very high	11 Å²	11	92.2 Å²	92.2	7%	0.074	43%	0.428	C	S	.	.	H	α-helix	trans	-61.9	-44.2	172.6	-80.2	0	0	0	0	112.2	L72 E73 T80 C254 L325	L72-C76 VanDerWaalsContact O-CB 3.24Å; L72-C76 WeakPolarHBondContact O-CB 3.44Å; L72-C76 PolarHBondContact O-N 3.38Å; L72-C76 PolarHBondContact O-SG 2.97Å; E73-C76 PolarHBondContact O-N 3.49Å; C76-T80 WeakPolarHBondContact O-CA 3.48Å; C76-T80 WeakPolarHBondContact O-CB 3.46Å; C76-T80 PolarHBondContact O-N 2.98Å; C76-T80 PolarHBondContact O-OG1 3.42Å; C76-C254 WeakPolarHBondContact CA-SG 3.33Å; C76-C254 HydrophobicContact CB-CB 3.61Å; C76-C254 WeakPolarHBondContact CB-SG 3.3Å; C76-C254 WeakPolarHBondContact SG-CA 3.24Å; C76-C254 WeakPolarHBondContact SG-CB 3.39Å; C76-C254 CovalentContact SG-SG 2.04Å; C76-C254 PolarHBondContact SG-SG 3.41Å; C76-L325 HydrophobicContact CB-CD2 4.43Å; C76-L325 VanDerWaalsContact SG-CD2 3.59Å
77	H	93.3	Very high	90.4	Very high	157 Å²	157	91.3 Å²	91.3	73%	0.727	43%	0.428	S	S	*	.	H	α-helix	trans	-63.2	-42.9	176.3	-173.8	72.4	0	0	0	112	E73 E74	E73-H77 WeakPolarHBondContact O-CB 3.4Å; E73-H77 PolarHBondContact O-N 3.35Å; E74-H77 PolarHBondContact O-N 2.99Å
78	S	93.4	Very high	90.2	Very high	61 Å²	61	93.4 Å²	93.4	43%	0.427	44%	0.436	S	S	.	.	H	α-helix	trans	-69.7	-41.6	-177.4	-61.6	0	0	0	0	113.3	E74 A75	E74-S78 WeakPolarHBondContact O-CB 3.41Å; E74-S78 PolarHBondContact O-N 3.28Å; E74-S78 PolarHBondContact O-OG 3.05Å; A75-S78 PolarHBondContact O-N 3.45Å
79	Y	88.5	Confident	89.9	Confident	118 Å²	118	97 Å²	97	46%	0.463	46%	0.455	S	S	.	.	H	α-helix	trans	-107.4	-12.9	-170.1	-59.3	-60.5	0	0	0	114.8	A75 M321 L324	A75-Y79 HydrophobicContact CB-CD2 4.27Å; A75-Y79 HydrophobicContact CB-CE2 4.49Å; A75-Y79 WeakPolarHBondContact O-CB 3.47Å; A75-Y79 VanDerWaalsContact O-CD2 3.22Å; A75-Y79 WeakPolarHBondContact O-CD2 3.14Å; A75-Y79 PolarHBondContact O-N 2.79Å; Y79-M321 HydrophobicContact CG-CE 4.32Å; Y79-L324 HydrophobicContact CD1-CD1 4.38Å; Y79-L324 HydrophobicContact CD2-CB 4.22Å; Y79-L324 HydrophobicContact CD2-CD1 4.06Å; Y79-L324 HydrophobicContact CE1-CD1 4.22Å; Y79-L324 HydrophobicContact CE2-CB 4.04Å; Y79-L324 HydrophobicContact CE2-CD1 3.88Å; Y79-L324 HydrophobicContact CE2-CD2 4.04Å; Y79-L324 HydrophobicContact CE2-CG 4.21Å; Y79-L324 HydrophobicContact CG-CD1 4.32Å
80	T	84.3	Confident	89.9	Confident	54 Å²	54	96.3 Å²	96.3	33%	0.331	45%	0.453	S	S	.	.			trans	-119.5	113.3	179.4	77.3	0	0	0	0	112.1	C76 C254 M321	C76-T80 WeakPolarHBondContact O-CA 3.48Å; C76-T80 WeakPolarHBondContact O-CB 3.46Å; C76-T80 PolarHBondContact O-N 2.98Å; C76-T80 PolarHBondContact O-OG1 3.42Å; T80-C254 HydrophobicContact CG2-CB 4.06Å; T80-C254 WeakPolarHBondContact OG1-CB 3.47Å; T80-M321 HydrophobicContact CG2-CE 4.42Å
81	R	71.3	Confident	89.9	Confident	236 Å²	236	91.7 Å²	91.7	89%	0.891	43%	0.432	S	S	*	.			trans	-102.5	-8.5	-176.1	-65.4	-173.1	179.1	-174.9	-1.3	115
82	K	63.9	Low	89.9	Confident	191 Å²	191	93.5 Å²	93.5	83%	0.83	44%	0.438	S	S	*	.			trans	-116.7	102	-177.1	-67.9	-172.3	179.2	-176.5	0	110.1
83	R	73.9	Confident	89.9	Confident	232 Å²	232	94.4 Å²	94.4	88%	0.875	44%	0.442	S	S	*	.			trans	-74.7	129.1	161.8	-69.1	-175.5	175.6	-178.5	-2	108.2
84	R	89.4	Confident	90.1	Very high	121 Å²	121	90.1 Å²	90.1	46%	0.457	42%	0.422	S	S	.	.			trans	-120.9	160.3	169.5	65.2	175.5	-178.9	85.5	-5.6	108.9	D90 L255	R84-D90 IonicContact CZ-OD1 4Å; R84-D90 IonicContact CZ-OD2 3.09Å; R84-D90 IonicContact NH1-OD1 3.7Å; R84-D90 PolarHBondContact NH1-OD1 3.27Å; R84-D90 IonicContact NH1-OD2 3.93Å; R84-D90 PolarHBondContact NH1-OD2 2.84Å; R84-D90 VanDerWaalsContact NH2-CG 3.34Å; R84-D90 IonicContact NH2-OD1 2.93Å; R84-D90 PolarHBondContact NH2-OD1 3.16Å; R84-D90 IonicContact NH2-OD2 2.75Å; R84-D90 PolarHBondContact NH2-OD2 3.25Å; R84-L255 HydrophobicContact CG-CD1 3.85Å
85	V	88.9	Confident	90.2	Very high	128 Å²	128	84 Å²	84	78%	0.776	39%	0.393	S	S	*	.			trans	-68.1	140.3	170.6	-174	0	0	0	0	108.7
86	L	92.2	Very high	90.3	Very high	44 Å²	44	83.8 Å²	83.8	23%	0.23	39%	0.391	C	S	.	.			trans	-70.8	132	171.1	-72.4	162.8	0	0	0	109.3	D90 L91 H252 L255 I256	L86-D90 WeakPolarHBondContact CA-OD2 3.18Å; L86-D90 HydrophobicContact CD2-CB 3.82Å; L86-L91 HydrophobicContact CD1-CD2 4.38Å; L86-L91 HydrophobicContact CD2-CD2 4.38Å; L86-H252 HydrophobicContact CD2-CB 4.44Å; L86-L255 HydrophobicContact CD1-CB 4.45Å; L86-L255 HydrophobicContact CD2-CB 3.81Å; L86-L255 HydrophobicContact CD2-CD1 3.82Å; L86-L255 HydrophobicContact CD2-CG 4.48Å; L86-L255 HydrophobicContact CG-CB 4.17Å; L86-L255 HydrophobicContact CG-CD1 4.45Å; L86-I256 HydrophobicContact CD1-CD1 4.14Å; L86-I256 HydrophobicContact CD1-CG1 3.65Å; L86-I256 HydrophobicContact CD2-CD1 4.22Å; L86-I256 HydrophobicContact CD2-CG1 4.15Å
87	V	93.3	Very high	90.4	Very high	71 Å²	71	83.3 Å²	83.3	43%	0.43	39%	0.388	S	S	.	.			trans	-104.1	158.5	171.7	-64.5	0	0	0	0	109.5	E89 D90	V87-E89 HydrophobicContact CG2-CB 4.09Å; V87-E89 PolarHBondContact O-N 3.08Å; V87-D90 WeakPolarHBondContact CG2-OD2 3.21Å; V87-D90 PolarHBondContact N-OD2 3.07Å; V87-D90 VanDerWaalsContact O-CB 3.28Å; V87-D90 WeakPolarHBondContact O-CB 3.38Å; V87-D90 PolarHBondContact O-N 3.31Å
88	P	92.5	Very high	90.6	Very high	77 Å²	77	78.9 Å²	78.9	50%	0.5	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-54.1	-31.4	-178.1	-29.1	36.6	0	0	0	114.5	D90 L91 S150	P88-D90 VanDerWaalsContact C-N 3.27Å; P88-D90 PolarHBondContact O-N 3Å; P88-L91 PolarHBondContact O-N 3.32Å; P88-S150 WeakPolarHBondContact O-CB 3.05Å
89	E	92.6	Very high	90.7	Very high	119 Å²	119	82.4 Å²	82.4	56%	0.556	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-55.9	-39.9	175.2	-163	64.6	-146.2	0	0	112.7	V87 L91 K92	V87-E89 HydrophobicContact CG2-CB 4.09Å; V87-E89 PolarHBondContact O-N 3.08Å; E89-L91 PolarHBondContact O-N 3.01Å; E89-L91 VanDerWaalsContact O-N 3.14Å; E89-K92 VanDerWaalsContact CD-CE 3.47Å; E89-K92 PolarHBondContact O-N 3.18Å; E89-K92 WeakPolarHBondContact OE1-CD 3.42Å; E89-K92 WeakPolarHBondContact OE1-CE 3.48Å; E89-K92 IonicContact OE1-NZ 2.73Å; E89-K92 PolarHBondContact OE1-NZ 2.61Å; E89-K92 WeakPolarHBondContact OE2-CE 3.2Å; E89-K92 IonicContact OE2-NZ 3.49Å; E89-K92 PolarHBondContact OE2-NZ 3.03Å
90	D	95.6	Very high	91.1	Very high	14 Å²	14	78 Å²	78	8%	0.075	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-64.9	-16.6	179.1	-57.7	-37.3	0	0	0	112.9	R84 L86 V87 P88 H252	R84-D90 IonicContact CZ-OD1 4Å; R84-D90 IonicContact CZ-OD2 3.09Å; R84-D90 IonicContact NH1-OD1 3.7Å; R84-D90 PolarHBondContact NH1-OD1 3.27Å; R84-D90 IonicContact NH1-OD2 3.93Å; R84-D90 PolarHBondContact NH1-OD2 2.84Å; R84-D90 VanDerWaalsContact NH2-CG 3.34Å; R84-D90 IonicContact NH2-OD1 2.93Å; R84-D90 PolarHBondContact NH2-OD1 3.16Å; R84-D90 IonicContact NH2-OD2 2.75Å; R84-D90 PolarHBondContact NH2-OD2 3.25Å; L86-D90 WeakPolarHBondContact CA-OD2 3.18Å; L86-D90 HydrophobicContact CD2-CB 3.82Å; V87-D90 WeakPolarHBondContact CG2-OD2 3.21Å; V87-D90 PolarHBondContact N-OD2 3.07Å; V87-D90 VanDerWaalsContact O-CB 3.28Å; V87-D90 WeakPolarHBondContact O-CB 3.38Å; V87-D90 PolarHBondContact O-N 3.31Å; P88-D90 VanDerWaalsContact C-N 3.27Å; P88-D90 PolarHBondContact O-N 3Å; D90-H252 VanDerWaalsContact CB-CD2 3.48Å; D90-H252 WeakPolarHBondContact CB-CD2 3.49Å; D90-H252 PolarHBondContact O-CD2 2.9Å; D90-H252 IonicContact OD1-CE1 3.71Å; D90-H252 IonicContact OD1-NE2 3.63Å; D90-H252 PolarHBondContact OD1-NE2 3.47Å
91	L	97.7	Very high	91.7	Very high	4 Å²	4	75.8 Å²	75.8	2%	0.021	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-107.4	-0.3	-170.1	-51.6	179.6	0	0	0	112.4	L86 P88 E89 H93 I94 L149 I157 I256	L86-L91 HydrophobicContact CD1-CD2 4.38Å; L86-L91 HydrophobicContact CD2-CD2 4.38Å; P88-L91 PolarHBondContact O-N 3.32Å; E89-L91 PolarHBondContact O-N 3.01Å; E89-L91 VanDerWaalsContact O-N 3.14Å; L91-H93 PolarHBondContact O-N 2.89Å; L91-I94 HydrophobicContact CD2-CD1 3.88Å; L91-I94 PolarHBondContact O-N 3.09Å; L91-I94 VanDerWaalsContact O-N 3.11Å; L91-L149 HydrophobicContact CB-CB 4.21Å; L91-L149 HydrophobicContact CB-CG 4.45Å; L91-L149 HydrophobicContact CD1-CD2 4.35Å; L91-L149 HydrophobicContact CD1-CG 4.33Å; L91-L149 HydrophobicContact CD2-CD2 4.34Å; L91-I157 HydrophobicContact CD1-CD1 3.97Å; L91-I157 HydrophobicContact CD1-CG1 4.48Å; L91-I157 HydrophobicContact CD1-CG2 3.66Å; L91-I256 HydrophobicContact CD2-CD1 3.8Å
92	K	96.9	Very high	93	Very high	85 Å²	85	64.7 Å²	64.7	37%	0.37	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.1	178.4	-73.9	-176.3	178.9	173.9	0	113.6	E89 I94 T148	E89-K92 VanDerWaalsContact CD-CE 3.47Å; E89-K92 PolarHBondContact O-N 3.18Å; E89-K92 WeakPolarHBondContact OE1-CD 3.42Å; E89-K92 WeakPolarHBondContact OE1-CE 3.48Å; E89-K92 IonicContact OE1-NZ 2.73Å; E89-K92 PolarHBondContact OE1-NZ 2.61Å; E89-K92 WeakPolarHBondContact OE2-CE 3.2Å; E89-K92 IonicContact OE2-NZ 3.49Å; E89-K92 PolarHBondContact OE2-NZ 3.03Å; K92-I94 VanDerWaalsContact C-N 3.3Å; K92-T148 VanDerWaalsContact O-CG2 3.29Å; K92-T148 WeakPolarHBondContact O-CG2 3.34Å
93	H	97.8	Very high	94.7	Very high	26 Å²	26	55.6 Å²	55.6	12%	0.12	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.4	177	-84.2	-92.6	0	0	0	113.8	L91 C105 Y106 E242	L91-H93 PolarHBondContact O-N 2.89Å; H93-C105 CarbonylContact O-C 3.48Å; H93-C105 VanDerWaalsContact O-CA 3.3Å; H93-C105 WeakPolarHBondContact O-CA 3.37Å; H93-Y106 HydrophobicContact CB-CE1 4.45Å; H93-Y106 AromaticContact CE1-CE2 3.51Å; H93-Y106 AromaticContact CE1-CZ 3.73Å; H93-Y106 AromaticContact ND1-CD2 3.79Å; H93-Y106 AromaticContact ND1-CE2 3.41Å; H93-Y106 WeakPolarHBondContact ND1-CE2 3.33Å; H93-Y106 AromaticContact ND1-CZ 3.56Å; H93-Y106 PolarHBondContact ND1-O 2.98Å; H93-Y106 WeakPolarHBondContact O-CD1 3.24Å; H93-Y106 PolarHBondContact O-N 3Å; H93-E242 IonicContact CE1-OE2 2.73Å; H93-E242 PolarHBondContact CE1-OE2 3.43Å
94	I	98.7	Very high	95.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110	-176.1	-55.5	175.9	0	0	0	109.2	L91 K92 L103 Y104 C105 T148 L149 I256	L91-I94 HydrophobicContact CD2-CD1 3.88Å; L91-I94 PolarHBondContact O-N 3.09Å; L91-I94 VanDerWaalsContact O-N 3.11Å; K92-I94 VanDerWaalsContact C-N 3.3Å; I94-L103 HydrophobicContact CG2-CB 3.86Å; I94-L103 HydrophobicContact CG2-CD2 3.97Å; I94-L103 HydrophobicContact CG2-CG 4.38Å; I94-Y104 CarbonylContact C-O 3.54Å; I94-Y104 WeakPolarHBondContact CA-O 3.39Å; I94-C105 HydrophobicContact CG1-CB 4.23Å; I94-T148 CarbonylContact O-C 3.58Å; I94-T148 WeakPolarHBondContact O-CA 3.08Å; I94-L149 HydrophobicContact CB-CB 3.98Å; I94-L149 HydrophobicContact CB-CD2 4.42Å; I94-L149 HydrophobicContact CD1-CD2 4.21Å; I94-L149 HydrophobicContact CG2-CB 4.01Å; I94-L149 HydrophobicContact CG2-CD2 4.04Å; I94-L149 PolarHBondContact O-N 2.83Å; I94-I256 HydrophobicContact CD1-CD1 3.42Å; I94-I256 VanDerWaalsContact CD1-CD1 3.42Å
95	I	98.6	Very high	96.3	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140.7	173.5	-66.5	167	0	0	0	109.3	L103 Y104 Y106 K116 L119 L146	I95-L103 WeakPolarHBondContact O-CA 3.41Å; I95-Y104 HydrophobicContact CD1-CD1 4.38Å; I95-Y104 PolarHBondContact N-O 3.43Å; I95-Y104 PolarHBondContact O-N 3.38Å; I95-Y106 HydrophobicContact CD1-CD1 3.64Å; I95-Y106 HydrophobicContact CD1-CE1 4.29Å; I95-Y106 HydrophobicContact CD1-CG 4.34Å; I95-Y106 HydrophobicContact CG1-CD1 3.85Å; I95-Y106 HydrophobicContact CG1-CE1 4.3Å; I95-K116 HydrophobicContact CD1-CD 4.18Å; I95-K116 HydrophobicContact CD1-CG 3.8Å; I95-L119 HydrophobicContact CB-CD1 4.25Å; I95-L119 HydrophobicContact CG2-CD1 3.82Å; I95-L146 HydrophobicContact CD1-CB 4.34Å; I95-L146 HydrophobicContact CD1-CD1 4.02Å; I95-L146 HydrophobicContact CG1-CB 4.47Å; I95-L146 HydrophobicContact CG2-CB 3.87Å; I95-L146 HydrophobicContact CG2-CD1 4.29Å; I95-L146 HydrophobicContact CG2-CD2 4.43Å; I95-L146 HydrophobicContact CG2-CG 4.43Å
96	V	98.6	Very high	96.8	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.1	-179.5	-171.5	0	0	0	0	110.4	D98 L103 R147 L149 Y152 Y164	V96-D98 WeakPolarHBondContact CG1-OD1 3.48Å; V96-L103 HydrophobicContact CB-CD2 4.25Å; V96-L103 HydrophobicContact CG1-CD2 4.14Å; V96-L103 HydrophobicContact CG2-CD2 3.75Å; V96-R147 PolarHBondContact N-O 3.1Å; V96-L149 HydrophobicContact CG2-CB 3.84Å; V96-L149 HydrophobicContact CG2-CD1 3.95Å; V96-Y152 HydrophobicContact CB-CE2 3.96Å; V96-Y152 HydrophobicContact CG1-CE2 4.21Å; V96-Y152 HydrophobicContact CG2-CD2 4.23Å; V96-Y152 HydrophobicContact CG2-CE2 3.61Å; V96-Y164 HydrophobicContact CG1-CD2 4.49Å; V96-Y164 HydrophobicContact CG1-CE2 4.05Å
97	D	97.9	Very high	97.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	100.9	161.5	179.5	-13.6	0	0	0	108	Q99 H100 G101 L102 L119 L122 T123	D97-Q99 VanDerWaalsContact C-N 3.28Å; D97-Q99 PolarHBondContact O-N 3.3Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.39Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.46Å; D97-Q99 PolarHBondContact OD1-N 3.47Å; D97-H100 PolarHBondContact OD1-N 3.14Å; D97-H100 IonicContact OD1-ND1 2.65Å; D97-H100 PolarHBondContact OD1-ND1 2.93Å; D97-H100 IonicContact OD2-CE1 2.66Å; D97-H100 IonicContact OD2-CG 3.06Å; D97-H100 IonicContact OD2-ND1 3.87Å; D97-H100 PolarHBondContact OD2-ND1 3.03Å; D97-G101 WeakPolarHBondContact O-CA 3.37Å; D97-G101 PolarHBondContact O-N 3.23Å; D97-L102 HydrophobicContact CB-CB 4.16Å; D97-L102 PolarHBondContact N-O 3.01Å; D97-L102 PolarHBondContact O-N 3.18Å; D97-L119 HydrophobicContact CB-CD2 4.2Å; D97-L122 WeakPolarHBondContact OD2-CB 3.27Å; D97-T123 HydrophobicContact CB-CG2 4.02Å
98	D	97.1	Very high	97.3	Very high	64 Å²	64	28.8 Å²	28.8	34%	0.342	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-19	179.7	-74.5	-29.4	0	0	0	112.8	V96 Y152 R160 Y164	V96-D98 WeakPolarHBondContact CG1-OD1 3.48Å; D98-Y152 PolarHBondContact OD2-OH 2.86Å; D98-R160 IonicContact OD1-CZ 3.91Å; D98-R160 IonicContact OD1-NE 3.95Å; D98-R160 PolarHBondContact OD1-NE 3.06Å; D98-R160 IonicContact OD1-NH2 3.38Å; D98-R160 PolarHBondContact OD1-NH2 2.83Å; D98-R160 IonicContact OD2-CZ 2.82Å; D98-R160 IonicContact OD2-NE 3.52Å; D98-R160 IonicContact OD2-NH2 2.81Å; D98-R160 PolarHBondContact OD2-NH2 2.67Å; D98-Y164 WeakPolarHBondContact CA-OH 3.41Å; D98-Y164 PolarHBondContact O-OH 2.81Å; D98-Y164 VanDerWaalsContact OD1-CE2 3.31Å; D98-Y164 WeakPolarHBondContact OD1-CE2 3.47Å; D98-Y164 PolarHBondContact OD1-OH 3.27Å; D98-Y164 VanDerWaalsContact OD1-OH 3.09Å
99	Q	95.2	Very high	97.4	Very high	134 Å²	134	26.8 Å²	26.8	63%	0.626	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-39.7	-178.6	-58.1	-177.2	22.4	0	0	111.4	D97 L122 T123	D97-Q99 VanDerWaalsContact C-N 3.28Å; D97-Q99 PolarHBondContact O-N 3.3Å; D97-Q99 WeakPolarHBondContact OD1-CA 3.39Å; D97-Q99 WeakPolarHBondContact OD1-CB 3.46Å; D97-Q99 PolarHBondContact OD1-N 3.47Å; Q99-L122 PolarHBondContact OE1-O 3.49Å; Q99-T123 PolarHBondContact NE2-O 3.1Å
100	H	96.4	Very high	97.5	Very high	25 Å²	25	21.1 Å²	21.1	12%	0.116	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-13	178.2	-60.3	89.8	0	0	0	113.2	P47 D97 L102 L122	P47-H100 WeakPolarHBondContact CD-O 3.42Å; P47-H100 WeakPolarHBondContact CG-O 3.37Å; D97-H100 PolarHBondContact OD1-N 3.14Å; D97-H100 IonicContact OD1-ND1 2.65Å; D97-H100 PolarHBondContact OD1-ND1 2.93Å; D97-H100 IonicContact OD2-CE1 2.66Å; D97-H100 IonicContact OD2-CG 3.06Å; D97-H100 IonicContact OD2-ND1 3.87Å; D97-H100 PolarHBondContact OD2-ND1 3.03Å; H100-L102 HydrophobicContact CB-CD1 3.94Å; H100-L102 HydrophobicContact CB-CG 3.86Å; H100-L122 PolarHBondContact CE1-O 2.74Å
101	G	97.8	Very high	97.4	Very high	8 Å²	8	21.4 Å²	21.4	8%	0.082	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	48.6	-177.2	0	0	0	0	0	112.4	D97 Y164 L165	D97-G101 WeakPolarHBondContact O-CA 3.37Å; D97-G101 PolarHBondContact O-N 3.23Å; G101-Y164 VanDerWaalsContact C-CG 3.4Å; G101-Y164 CarbonylContact O-C 3.44Å; G101-Y164 VanDerWaalsContact O-CA 3.24Å; G101-Y164 WeakPolarHBondContact O-CA 3.21Å; G101-Y164 WeakPolarHBondContact O-CB 3.38Å; G101-L165 PolarHBondContact O-N 3.17Å
102	L	98.6	Very high	97.3	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	147.1	-178	-52.7	175.5	0	0	0	112.3	P47 D97 H100 L165 F167 A278	P47-L102 HydrophobicContact CB-CD2 4.21Å; P47-L102 HydrophobicContact CG-CD2 4.06Å; D97-L102 HydrophobicContact CB-CB 4.16Å; D97-L102 PolarHBondContact N-O 3.01Å; D97-L102 PolarHBondContact O-N 3.18Å; H100-L102 HydrophobicContact CB-CD1 3.94Å; H100-L102 HydrophobicContact CB-CG 3.86Å; L102-L165 WeakPolarHBondContact CA-O 3.46Å; L102-L165 HydrophobicContact CD2-CB 3.98Å; L102-L165 HydrophobicContact CD2-CD2 4.01Å; L102-F167 HydrophobicContact CB-CE1 4.23Å; L102-F167 HydrophobicContact CD1-CE1 4.42Å; L102-A278 HydrophobicContact CD1-CB 4.13Å; L102-A278 HydrophobicContact CD2-CB 4.2Å
103	L	98.8	Very high	97.2	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	108.7	169.3	-68.2	178.5	0	0	0	109.3	I94 I95 V96 L149 R160 L161 Y164 L165 K166 F167	I94-L103 HydrophobicContact CG2-CB 3.86Å; I94-L103 HydrophobicContact CG2-CD2 3.97Å; I94-L103 HydrophobicContact CG2-CG 4.38Å; I95-L103 WeakPolarHBondContact O-CA 3.41Å; V96-L103 HydrophobicContact CB-CD2 4.25Å; V96-L103 HydrophobicContact CG1-CD2 4.14Å; V96-L103 HydrophobicContact CG2-CD2 3.75Å; L103-L149 HydrophobicContact CD1-CD2 4.26Å; L103-L149 HydrophobicContact CD2-CD1 4.11Å; L103-L149 HydrophobicContact CD2-CD2 4.29Å; L103-R160 HydrophobicContact CD1-CB 4.16Å; L103-R160 HydrophobicContact CD2-CB 4.32Å; L103-L161 HydrophobicContact CD1-CD2 4.06Å; L103-Y164 HydrophobicContact CD2-CD2 4.19Å; L103-Y164 HydrophobicContact CG-CD2 4.1Å; L103-Y164 HydrophobicContact CG-CG 4.49Å; L103-L165 PolarHBondContact N-O 2.94Å; L103-K166 HydrophobicContact CB-CB 4.48Å; L103-K166 HydrophobicContact CB-CG 3.95Å; L103-K166 HydrophobicContact CD1-CD 4.41Å; L103-K166 HydrophobicContact CD1-CG 3.77Å; L103-K166 HydrophobicContact CG-CG 4.39Å; L103-K166 CarbonylContact O-C 3.55Å; L103-K166 WeakPolarHBondContact O-CA 3.14Å; L103-F167 PolarHBondContact O-N 2.88Å
104	Y	98.8	Very high	97.1	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.7	-179.3	171.7	-128.7	0	0	0	111.4	I94 I95 Y106 C112 W115 L119 F167 F169	I94-Y104 CarbonylContact C-O 3.54Å; I94-Y104 WeakPolarHBondContact CA-O 3.39Å; I95-Y104 HydrophobicContact CD1-CD1 4.38Å; I95-Y104 PolarHBondContact N-O 3.43Å; I95-Y104 PolarHBondContact O-N 3.38Å; Y104-Y106 PolarHBondContact O-N 3.3Å; Y104-C112 WeakPolarHBondContact OH-CA 3.4Å; Y104-W115 HydrophobicContact CD1-CB 4.09Å; Y104-W115 HydrophobicContact CE1-CB 3.36Å; Y104-W115 HydrophobicContact CE1-CG 4.03Å; Y104-W115 HydrophobicContact CE2-CB 4.29Å; Y104-W115 HydrophobicContact CE2-CG 4.06Å; Y104-W115 VanDerWaalsContact CZ-CB 3.48Å; Y104-W115 AromaticContact CZ-CD1 3.8Å; Y104-W115 AromaticContact CZ-CG 3.69Å; Y104-L119 HydrophobicContact CD1-CD1 3.6Å; Y104-L119 HydrophobicContact CG-CD1 4.09Å; Y104-F167 WeakPolarHBondContact CA-O 2.92Å; Y104-F167 AromaticContact CD2-CD2 3.62Å; Y104-F167 HydrophobicContact CD2-CD2 3.62Å; Y104-F167 HydrophobicContact CD2-CE1 4.47Å; Y104-F167 AromaticContact CD2-CE2 3.22Å; Y104-F167 HydrophobicContact CD2-CE2 3.22Å; Y104-F167 HydrophobicContact CD2-CG 4.41Å; Y104-F167 AromaticContact CD2-CZ 3.72Å; Y104-F167 HydrophobicContact CD2-CZ 3.72Å; Y104-F167 HydrophobicContact CE2-CD2 4.27Å; Y104-F167 AromaticContact CE2-CE2 3.89Å; Y104-F167 HydrophobicContact CE2-CE2 3.89Å; Y104-F167 HydrophobicContact CG-CE1 4.49Å; Y104-F167 AromaticContact CG-CE2 3.82Å; Y104-F167 HydrophobicContact CG-CE2 3.82Å; Y104-F167 AromaticContact CG-CZ 3.82Å; Y104-F167 HydrophobicContact CG-CZ 3.82Å; Y104-F169 HydrophobicContact CE2-CD2 4.41Å
105	C	98.8	Very high	97.1	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	110.6	167.8	-168.1	0	0	0	0	111.2	H93 I94 F167 L168 C251 Y258	H93-C105 CarbonylContact O-C 3.48Å; H93-C105 VanDerWaalsContact O-CA 3.3Å; H93-C105 WeakPolarHBondContact O-CA 3.37Å; I94-C105 HydrophobicContact CG1-CB 4.23Å; C105-F167 PolarHBondContact N-O 3.47Å; C105-L168 HydrophobicContact CB-CB 3.96Å; C105-C251 HydrophobicContact CB-CB 3.9Å; C105-C251 WeakPolarHBondContact CB-SG 3.39Å; C105-C251 WeakPolarHBondContact SG-CA 3.45Å; C105-C251 WeakPolarHBondContact SG-CB 3.44Å; C105-C251 CovalentContact SG-SG 2.04Å; C105-C251 PolarHBondContact SG-SG 3.07Å; C105-Y258 HydrophobicContact CB-CE1 3.78Å; C105-Y258 VanDerWaalsContact CB-OH 3.31Å; C105-Y258 WeakPolarHBondContact CB-OH 3.48Å
106	Y	98.3	Very high	97	Very high	31 Å²	31	19.7 Å²	19.7	12%	0.122	10%	0.102	C	C	.	.			trans	-83.9	122.6	-178.1	77	-96.3	0	0	0	112.2	H93 I95 Y104 E242	H93-Y106 HydrophobicContact CB-CE1 4.45Å; H93-Y106 AromaticContact CE1-CE2 3.51Å; H93-Y106 AromaticContact CE1-CZ 3.73Å; H93-Y106 AromaticContact ND1-CD2 3.79Å; H93-Y106 AromaticContact ND1-CE2 3.41Å; H93-Y106 WeakPolarHBondContact ND1-CE2 3.33Å; H93-Y106 AromaticContact ND1-CZ 3.56Å; H93-Y106 PolarHBondContact ND1-O 2.98Å; H93-Y106 WeakPolarHBondContact O-CD1 3.24Å; H93-Y106 PolarHBondContact O-N 3Å; I95-Y106 HydrophobicContact CD1-CD1 3.64Å; I95-Y106 HydrophobicContact CD1-CE1 4.29Å; I95-Y106 HydrophobicContact CD1-CG 4.34Å; I95-Y106 HydrophobicContact CG1-CD1 3.85Å; I95-Y106 HydrophobicContact CG1-CE1 4.3Å; Y104-Y106 PolarHBondContact O-N 3.3Å; Y106-E242 WeakPolarHBondContact CE2-OE2 3.4Å
107	V	98.3	Very high	96.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.			trans	-110.6	119.4	177.2	-175.7	0	0	0	0	109.2	V110 C112 F169 V247	V107-V110 HydrophobicContact CB-CB 4.25Å; V107-V110 HydrophobicContact CB-CG2 3.94Å; V107-V110 HydrophobicContact CG1-CB 4.46Å; V107-V110 HydrophobicContact CG1-CG2 3.62Å; V107-V110 PolarHBondContact O-N 2.92Å; V107-C112 WeakPolarHBondContact O-CB 3.41Å; V107-F169 WeakPolarHBondContact CG2-O 3.31Å; V107-V247 HydrophobicContact CG1-CG1 4.35Å; V107-V247 HydrophobicContact CG1-CG2 3.79Å; V107-V247 HydrophobicContact CG2-CG1 3.89Å
108	P	97.4	Very high	96.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	143.5	176.1	-29.3	38.2	0	0	0	113.5	V110 R176 E242 H243	P108-V110 PolarHBondContact O-N 3.32Å; P108-R176 PolarHBondContact O-NE 3.48Å; P108-E242 HydrophobicContact CG-CB 4.04Å; P108-E242 HydrophobicContact CG-CG 4.13Å; P108-E242 WeakPolarHBondContact CG-O 3.47Å; P108-E242 WeakPolarHBondContact CG-OE2 3.39Å; P108-H243 VanDerWaalsContact CB-ND1 3.33Å; P108-H243 WeakPolarHBondContact CB-ND1 3.23Å
109	K	95.6	Very high	96.9	Very high	35 Å²	35	17.9 Å²	17.9	15%	0.152	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	10.5	-177.2	-42.3	-52.9	171.9	-144.2	0	115	R171 R176 A180 N183	K109-R171 PolarHBondContact O-NH1 3.03Å; K109-R176 HydrophobicContact CB-CG 3.91Å; K109-A180 HydrophobicContact CG-CB 4.03Å; K109-N183 HydrophobicContact CD-CB 4.43Å; K109-N183 WeakPolarHBondContact CE-OD1 3.44Å; K109-N183 PolarHBondContact NZ-OD1 2.95Å
110	V	95.6	Very high	97	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	57	171.7	-159.2	0	0	0	0	110.7	V107 P108 C112 F169 V170 R171 R176 Y264	V107-V110 HydrophobicContact CB-CB 4.25Å; V107-V110 HydrophobicContact CB-CG2 3.94Å; V107-V110 HydrophobicContact CG1-CB 4.46Å; V107-V110 HydrophobicContact CG1-CG2 3.62Å; V107-V110 PolarHBondContact O-N 2.92Å; P108-V110 PolarHBondContact O-N 3.32Å; V110-C112 PolarHBondContact O-N 3.31Å; V110-F169 HydrophobicContact CG1-CB 3.74Å; V110-F169 WeakPolarHBondContact CG1-O 3.17Å; V110-V170 WeakPolarHBondContact CG1-O 3.28Å; V110-R171 HydrophobicContact CG1-CB 4.12Å; V110-R171 HydrophobicContact CG2-CB 3.82Å; V110-R176 HydrophobicContact CG2-CG 4.29Å; V110-Y264 HydrophobicContact CG1-CD2 3.98Å; V110-Y264 HydrophobicContact CG1-CG 4.4Å
111	A	93.1	Very high	97	Very high	20 Å²	20	11 Å²	11	17%	0.165	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	18	-177.9	0	0	0	0	0	116.8	T113 N114 W115 Y264 L267 F286	A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 3.42Å; A111-T113 VanDerWaalsContact O-N 3.11Å; A111-N114 WeakPolarHBondContact O-CB 3.25Å; A111-N114 PolarHBondContact O-N 2.98Å; A111-W115 PolarHBondContact O-N 2.92Å; A111-Y264 HydrophobicContact CB-CD2 4.39Å; A111-Y264 HydrophobicContact CB-CE2 4.03Å; A111-L267 HydrophobicContact CB-CD1 4.06Å; A111-L267 HydrophobicContact CB-CD2 3.61Å; A111-L267 HydrophobicContact CB-CG 4.5Å; A111-F286 HydrophobicContact CB-CZ 3.91Å
112	C	94.9	Very high	96.9	Very high	7 Å²	7	10.7 Å²	10.7	5%	0.047	5%	0.054	C	C	.	.	H	α-helix	trans	-54.9	-34.9	-174.5	62.8	0	0	0	0	114.6	Y104 V107 V110 N114 W115 K116 H141	Y104-C112 WeakPolarHBondContact OH-CA 3.4Å; V107-C112 WeakPolarHBondContact O-CB 3.41Å; V110-C112 PolarHBondContact O-N 3.31Å; C112-N114 VanDerWaalsContact C-N 3.29Å; C112-N114 PolarHBondContact O-N 2.76Å; C112-W115 PolarHBondContact O-N 3.21Å; C112-K116 WeakPolarHBondContact O-CG 3.49Å; C112-K116 PolarHBondContact O-N 3.45Å; C112-H141 PolarHBondContact SG-CE1 3.02Å
113	T	95	Very high	96.7	Very high	31 Å²	31	11.8 Å²	11.8	19%	0.19	6%	0.062	C	C	.	.	H	α-helix	trans	-57.8	-42.2	173.9	-46.7	0	0	0	0	111.7	A111 K116 R117 A137 A140 H141	A111-T113 VanDerWaalsContact C-N 3.26Å; A111-T113 PolarHBondContact O-N 3.42Å; A111-T113 VanDerWaalsContact O-N 3.11Å; T113-K116 PolarHBondContact O-N 3.18Å; T113-R117 WeakPolarHBondContact O-CD 3.5Å; T113-R117 WeakPolarHBondContact O-CG 3.23Å; T113-R117 PolarHBondContact O-N 3.2Å; T113-A137 HydrophobicContact CG2-CB 3.98Å; T113-A140 HydrophobicContact CG2-CB 4.12Å; T113-H141 WeakPolarHBondContact CA-NE2 3.47Å; T113-H141 WeakPolarHBondContact CB-NE2 3.39Å; T113-H141 WeakPolarHBondContact CG2-NE2 3.31Å; T113-H141 PolarHBondContact OG1-NE2 3.04Å
114	N	95.8	Very high	96.5	Very high	22 Å²	22	13.9 Å²	13.9	12%	0.118	8%	0.083	C	C	.	.	H	α-helix	trans	-73.3	-36.9	-179	-74.8	7.5	0	0	0	111.4	A111 C112 R117 V118 F286 P287	A111-N114 WeakPolarHBondContact O-CB 3.25Å; A111-N114 PolarHBondContact O-N 2.98Å; C112-N114 VanDerWaalsContact C-N 3.29Å; C112-N114 PolarHBondContact O-N 2.76Å; N114-R117 PolarHBondContact O-N 2.84Å; N114-R117 PolarHBondContact OD1-NH1 3.21Å; N114-V118 WeakPolarHBondContact O-CG2 3.2Å; N114-V118 PolarHBondContact O-N 2.69Å; N114-F286 HydrophobicContact CB-CE1 4.46Å; N114-F286 HydrophobicContact CB-CE2 3.93Å; N114-F286 HydrophobicContact CB-CZ 3.73Å; N114-P287 HydrophobicContact CB-CG 3.83Å; N114-P287 PolarHBondContact ND2-O 3.3Å
115	W	97.5	Very high	96.2	Very high	2 Å²	2	17 Å²	17	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-41.7	170.3	-88.3	119.2	0	0	0	112.9	Y104 A111 C112 V118 L119 F167 F169 S271 V274 F286	Y104-W115 HydrophobicContact CD1-CB 4.09Å; Y104-W115 HydrophobicContact CE1-CB 3.36Å; Y104-W115 HydrophobicContact CE1-CG 4.03Å; Y104-W115 HydrophobicContact CE2-CB 4.29Å; Y104-W115 HydrophobicContact CE2-CG 4.06Å; Y104-W115 VanDerWaalsContact CZ-CB 3.48Å; Y104-W115 AromaticContact CZ-CD1 3.8Å; Y104-W115 AromaticContact CZ-CG 3.69Å; A111-W115 PolarHBondContact O-N 2.92Å; C112-W115 PolarHBondContact O-N 3.21Å; W115-V118 HydrophobicContact CE3-CB 4.33Å; W115-V118 HydrophobicContact CE3-CG1 4.11Å; W115-V118 HydrophobicContact CZ3-CG1 4.02Å; W115-V118 PolarHBondContact O-N 3.02Å; W115-L119 WeakPolarHBondContact O-CG 3.46Å; W115-L119 PolarHBondContact O-N 2.87Å; W115-F167 AromaticContact CD2-CE2 3.94Å; W115-F167 HydrophobicContact CD2-CE2 3.94Å; W115-F167 HydrophobicContact CD2-CZ 4.41Å; W115-F167 AromaticContact CE2-CE2 3.87Å; W115-F167 AromaticContact CE3-CE2 3.92Å; W115-F167 HydrophobicContact CE3-CE2 3.92Å; W115-F167 AromaticContact CE3-CZ 3.95Å; W115-F167 HydrophobicContact CE3-CZ 3.95Å; W115-F167 AromaticContact CH2-CE2 3.83Å; W115-F167 HydrophobicContact CH2-CE2 3.83Å; W115-F167 HydrophobicContact CH2-CZ 4.11Å; W115-F167 AromaticContact CZ2-CE2 3.8Å; W115-F167 HydrophobicContact CZ2-CE2 3.8Å; W115-F167 AromaticContact CZ3-CE2 3.88Å; W115-F167 HydrophobicContact CZ3-CE2 3.88Å; W115-F167 AromaticContact CZ3-CZ 3.79Å; W115-F167 HydrophobicContact CZ3-CZ 3.79Å; W115-F169 AromaticContact CE2-CD2 3.84Å; W115-F169 AromaticContact CE2-CE2 3.5Å; W115-F169 VanDerWaalsContact CE2-CE2 3.5Å; W115-F169 AromaticContact CE2-CZ 3.96Å; W115-F169 HydrophobicContact CH2-CE2 4.43Å; W115-F169 HydrophobicContact CZ2-CD2 4.13Å; W115-F169 AromaticContact CZ2-CE2 3.3Å; W115-F169 HydrophobicContact CZ2-CE2 3.3Å; W115-F169 AromaticContact CZ2-CZ 3.55Å; W115-F169 HydrophobicContact CZ2-CZ 3.55Å; W115-F169 AromaticContact NE1-CD2 3.25Å; W115-F169 VanDerWaalsContact NE1-CD2 3.25Å; W115-F169 AromaticContact NE1-CE2 3.33Å; W115-F169 VanDerWaalsContact NE1-CE2 3.33Å; W115-F169 AromaticContact NE1-CG 3.65Å; W115-F169 AromaticContact NE1-CZ 3.76Å; W115-S271 WeakPolarHBondContact CZ2-OG 3.34Å; W115-V274 HydrophobicContact CH2-CB 3.92Å; W115-V274 HydrophobicContact CH2-CG1 3.77Å; W115-V274 HydrophobicContact CZ2-CB 4.45Å; W115-V274 HydrophobicContact CZ3-CG1 4.35Å; W115-F286 HydrophobicContact CB-CE2 4.49Å; W115-F286 AromaticContact CD1-CE2 3.66Å; W115-F286 HydrophobicContact CD2-CD2 4Å; W115-F286 AromaticContact CD2-CE2 3.72Å; W115-F286 HydrophobicContact CD2-CE2 3.72Å; W115-F286 AromaticContact CE2-CD2 3.91Å; W115-F286 AromaticContact CE2-CE2 3.67Å; W115-F286 HydrophobicContact CE3-CD2 4.3Å; W115-F286 HydrophobicContact CE3-CE2 4.42Å; W115-F286 HydrophobicContact CG-CD2 4.46Å; W115-F286 AromaticContact CG-CE2 3.73Å; W115-F286 HydrophobicContact CG-CE2 3.73Å; W115-F286 HydrophobicContact CH2-CD2 4.43Å; W115-F286 HydrophobicContact CZ2-CD2 4.15Å; W115-F286 HydrophobicContact CZ2-CE2 4.34Å; W115-F286 HydrophobicContact CZ3-CD2 4.5Å; W115-F286 AromaticContact NE1-CE2 3.62Å
116	K	97.6	Very high	95.8	Very high	22 Å²	22	17.4 Å²	17.4	10%	0.096	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-43.5	174.4	-71.3	-172.7	-173.9	-169.1	0	111.7	I95 C112 T113 V118 L119 M120 A140 H141 L146	I95-K116 HydrophobicContact CD1-CD 4.18Å; I95-K116 HydrophobicContact CD1-CG 3.8Å; C112-K116 WeakPolarHBondContact O-CG 3.49Å; C112-K116 PolarHBondContact O-N 3.45Å; T113-K116 PolarHBondContact O-N 3.18Å; K116-V118 PolarHBondContact O-N 2.89Å; K116-L119 PolarHBondContact O-N 3.49Å; K116-M120 WeakPolarHBondContact O-CG 3.36Å; K116-M120 PolarHBondContact O-N 3.22Å; K116-A140 HydrophobicContact CB-CB 4.28Å; K116-A140 WeakPolarHBondContact CB-O 3.49Å; K116-A140 WeakPolarHBondContact CD-O 3.29Å; K116-H141 PolarHBondContact NZ-ND1 3.18Å; K116-L146 HydrophobicContact CB-CD1 3.76Å; K116-L146 HydrophobicContact CG-CD1 3.93Å
117	R	96.9	Very high	95.3	Very high	31 Å²	31	18.6 Å²	18.6	12%	0.117	13%	0.127	C	C	.	.	H	α-helix	trans	-58.3	-46.8	173.4	-68.5	159.5	150.8	173.8	-15.5	112.4	T113 N114 L119 M120 V121 P132 I135 A140	T113-R117 WeakPolarHBondContact O-CD 3.5Å; T113-R117 WeakPolarHBondContact O-CG 3.23Å; T113-R117 PolarHBondContact O-N 3.2Å; N114-R117 PolarHBondContact O-N 2.84Å; N114-R117 PolarHBondContact OD1-NH1 3.21Å; R117-L119 VanDerWaalsContact C-N 3.34Å; R117-L119 PolarHBondContact O-N 3.48Å; R117-M120 PolarHBondContact O-N 2.96Å; R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 2.97Å; R117-V121 VanDerWaalsContact O-N 3.09Å; R117-P132 HydrophobicContact CB-CB 3.81Å; R117-P132 WeakPolarHBondContact CB-O 3.46Å; R117-P132 WeakPolarHBondContact CD-O 3.29Å; R117-P132 WeakPolarHBondContact CG-O 3.44Å; R117-P132 PolarHBondContact NE-O 3.18Å; R117-I135 HydrophobicContact CB-CD1 4.28Å; R117-I135 HydrophobicContact CG-CB 4.1Å; R117-I135 HydrophobicContact CG-CG2 4.2Å; R117-I135 VanDerWaalsContact CZ-O 3.22Å; R117-I135 PolarHBondContact NE-O 2.69Å; R117-I135 PolarHBondContact NH2-O 3.19Å; R117-A140 HydrophobicContact CG-CB 3.72Å
118	V	97.4	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.4	-46.4	174.7	165.3	0	0	0	0	110.9	N114 W115 K116 M120 V121 L122 P132 L275 V284 F286	N114-V118 WeakPolarHBondContact O-CG2 3.2Å; N114-V118 PolarHBondContact O-N 2.69Å; W115-V118 HydrophobicContact CE3-CB 4.33Å; W115-V118 HydrophobicContact CE3-CG1 4.11Å; W115-V118 HydrophobicContact CZ3-CG1 4.02Å; W115-V118 PolarHBondContact O-N 3.02Å; K116-V118 PolarHBondContact O-N 2.89Å; V118-M120 VanDerWaalsContact C-N 3.34Å; V118-M120 PolarHBondContact O-N 2.94Å; V118-V121 PolarHBondContact O-N 2.96Å; V118-L122 HydrophobicContact CG1-CD1 4.06Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CG 3.4Å; V118-L122 PolarHBondContact O-N 3.29Å; V118-P132 HydrophobicContact CG2-CB 4.19Å; V118-P132 HydrophobicContact CG2-CG 3.9Å; V118-L275 HydrophobicContact CG1-CD2 4Å; V118-V284 HydrophobicContact CG1-CG1 3.93Å; V118-V284 HydrophobicContact CG1-CG2 4.43Å; V118-V284 HydrophobicContact CG2-CG2 4.28Å; V118-F286 HydrophobicContact CG2-CD2 4.09Å
119	L	97.7	Very high	94.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-29.2	178	-67.8	169.2	0	0	0	113.5	I95 D97 Y104 W115 K116 R117 L122 T123 L146	I95-L119 HydrophobicContact CB-CD1 4.25Å; I95-L119 HydrophobicContact CG2-CD1 3.82Å; D97-L119 HydrophobicContact CB-CD2 4.2Å; Y104-L119 HydrophobicContact CD1-CD1 3.6Å; Y104-L119 HydrophobicContact CG-CD1 4.09Å; W115-L119 WeakPolarHBondContact O-CG 3.46Å; W115-L119 PolarHBondContact O-N 2.87Å; K116-L119 PolarHBondContact O-N 3.49Å; R117-L119 VanDerWaalsContact C-N 3.34Å; R117-L119 PolarHBondContact O-N 3.48Å; L119-L122 PolarHBondContact O-N 2.66Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 WeakPolarHBondContact O-CG2 3.5Å; L119-T123 PolarHBondContact O-N 3.44Å; L119-T123 PolarHBondContact O-OG1 3.4Å; L119-L146 HydrophobicContact CB-CD1 4.11Å; L119-L146 HydrophobicContact CB-CD2 4.02Å
120	M	97.1	Very high	93.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-37.5	171.8	-71.6	170.2	68.5	0	0	111.9	K116 R117 V118 G124 V125 S126 I135 E139 A140 L146	K116-M120 WeakPolarHBondContact O-CG 3.36Å; K116-M120 PolarHBondContact O-N 3.22Å; R117-M120 PolarHBondContact O-N 2.96Å; V118-M120 VanDerWaalsContact C-N 3.34Å; V118-M120 PolarHBondContact O-N 2.94Å; M120-G124 CarbonylContact O-C 3.59Å; M120-G124 PolarHBondContact O-N 3.42Å; M120-V125 HydrophobicContact CB-CB 4.38Å; M120-V125 HydrophobicContact CE-CG1 4.19Å; M120-V125 HydrophobicContact CG-CB 4.46Å; M120-V125 HydrophobicContact CG-CG1 4.25Å; M120-V125 PolarHBondContact O-N 2.76Å; M120-S126 PolarHBondContact O-N 3.46Å; M120-S126 VanDerWaalsContact O-N 3.11Å; M120-S126 PolarHBondContact O-OG 3.49Å; M120-I135 HydrophobicContact CB-CD1 4.02Å; M120-I135 HydrophobicContact CE-CG2 3.82Å; M120-I135 HydrophobicContact SD-CG2 4.08Å; M120-E139 HydrophobicContact CE-CG 4.28Å; M120-A140 HydrophobicContact SD-CB 4.21Å; M120-L146 HydrophobicContact CG-CD1 4.07Å; M120-L146 HydrophobicContact CG-CD2 3.96Å; M120-L146 HydrophobicContact CG-CG 3.97Å
121	V	96.6	Very high	93.7	Very high	12 Å²	12	41.7 Å²	41.7	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-67.4	-42.2	172.7	178.2	0	0	0	0	111.2	R117 V118 G124 S126 P132 I135 V284	R117-V121 WeakPolarHBondContact O-CG2 3.39Å; R117-V121 PolarHBondContact O-N 2.97Å; R117-V121 VanDerWaalsContact O-N 3.09Å; V118-V121 PolarHBondContact O-N 2.96Å; V121-G124 PolarHBondContact O-N 3.2Å; V121-S126 VanDerWaalsContact CA-OG 3.31Å; V121-S126 WeakPolarHBondContact CA-OG 3.36Å; V121-P132 HydrophobicContact CG2-CG 4.09Å; V121-I135 HydrophobicContact CG2-CD1 3.92Å; V121-V284 HydrophobicContact CB-CG2 4.2Å; V121-V284 HydrophobicContact CG1-CB 4.29Å; V121-V284 HydrophobicContact CG1-CG2 4.01Å
122	L	95.9	Very high	93.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-69.2	-40.5	-179.4	-69.7	-178.7	0	0	0	113.2	D97 Q99 H100 V118 L119 G124 L275 A280 Q283 V284	D97-L122 WeakPolarHBondContact OD2-CB 3.27Å; Q99-L122 PolarHBondContact OE1-O 3.49Å; H100-L122 PolarHBondContact CE1-O 2.74Å; V118-L122 HydrophobicContact CG1-CD1 4.06Å; V118-L122 HydrophobicContact CG1-CG 4.44Å; V118-L122 WeakPolarHBondContact O-CG 3.4Å; V118-L122 PolarHBondContact O-N 3.29Å; L119-L122 PolarHBondContact O-N 2.66Å; L122-G124 VanDerWaalsContact C-N 3.28Å; L122-G124 PolarHBondContact O-N 2.9Å; L122-L275 HydrophobicContact CD1-CD2 4.12Å; L122-A280 HydrophobicContact CD1-CB 4.37Å; L122-A280 HydrophobicContact CD2-CB 3.76Å; L122-Q283 HydrophobicContact CD2-CG 4.24Å; L122-V284 HydrophobicContact CD1-CG1 4.31Å; L122-V284 HydrophobicContact CD2-CB 4.33Å; L122-V284 HydrophobicContact CD2-CG1 3.63Å; L122-V284 HydrophobicContact CG-CG1 4Å
123	T	94.6	Very high	93.7	Very high	27 Å²	27	45.2 Å²	45.2	17%	0.166	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.6	178.6	56.3	0	0	0	0	113.6	D97 Q99 L119 V125	D97-T123 HydrophobicContact CB-CG2 4.02Å; Q99-T123 PolarHBondContact NE2-O 3.1Å; L119-T123 WeakPolarHBondContact O-CB 3.49Å; L119-T123 WeakPolarHBondContact O-CG2 3.5Å; L119-T123 PolarHBondContact O-N 3.44Å; L119-T123 PolarHBondContact O-OG1 3.4Å; T123-V125 PolarHBondContact O-N 3.07Å; T123-V125 WeakPolarHBondContact OG1-CG2 3.07Å
124	G	92.8	Very high	93.7	Very high	45 Å²	45	46.2 Å²	46.2	46%	0.464	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	4.4	-177.7	0	0	0	0	0	114.8	M120 V121 L122 S126 G127	M120-G124 CarbonylContact O-C 3.59Å; M120-G124 PolarHBondContact O-N 3.42Å; V121-G124 PolarHBondContact O-N 3.2Å; L122-G124 VanDerWaalsContact C-N 3.28Å; L122-G124 PolarHBondContact O-N 2.9Å; G124-S126 PolarHBondContact O-N 3.1Å; G124-G127 PolarHBondContact O-N 2.84Å
125	V	92.7	Very high	93.6	Very high	67 Å²	67	45.2 Å²	45.2	41%	0.406	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-28.2	177.8	169.9	0	0	0	0	111.9	M120 T123 G127 N145	M120-V125 HydrophobicContact CB-CB 4.38Å; M120-V125 HydrophobicContact CE-CG1 4.19Å; M120-V125 HydrophobicContact CG-CB 4.46Å; M120-V125 HydrophobicContact CG-CG1 4.25Å; M120-V125 PolarHBondContact O-N 2.76Å; T123-V125 PolarHBondContact O-N 3.07Å; T123-V125 WeakPolarHBondContact OG1-CG2 3.07Å; V125-G127 PolarHBondContact O-N 2.84Å; V125-N145 HydrophobicContact CG1-CB 4.12Å; V125-N145 WeakPolarHBondContact CG1-O 3.46Å; V125-N145 WeakPolarHBondContact CG2-O 2.86Å
126	S	90.2	Very high	93.3	Very high	7 Å²	7	47.8 Å²	47.8	5%	0.049	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	5	175.1	66.2	0	0	0	0	114.5	M120 V121 G124 D128 H129 I135	M120-S126 PolarHBondContact O-N 3.46Å; M120-S126 VanDerWaalsContact O-N 3.11Å; M120-S126 PolarHBondContact O-OG 3.49Å; V121-S126 VanDerWaalsContact CA-OG 3.31Å; V121-S126 WeakPolarHBondContact CA-OG 3.36Å; G124-S126 PolarHBondContact O-N 3.1Å; S126-D128 PolarHBondContact O-N 2.86Å; S126-H129 WeakPolarHBondContact O-CB 3.36Å; S126-H129 PolarHBondContact O-CD2 2.96Å; S126-H129 VanDerWaalsContact O-CD2 3.28Å; S126-H129 PolarHBondContact O-N 3.24Å; S126-H129 VanDerWaalsContact O-N 3.13Å; S126-H129 PolarHBondContact OG-O 2.93Å; S126-I135 VanDerWaalsContact CB-CD1 3.49Å
127	G	89.1	Confident	93	Very high	56 Å²	56	49 Å²	49	58%	0.577	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	-127.7	-177.7	0	0	0	0	0	112	G124 V125 H129	G124-G127 PolarHBondContact O-N 2.84Å; V125-G127 PolarHBondContact O-N 2.84Å; G127-H129 PolarHBondContact O-N 3.24Å
128	D	85.4	Confident	92.7	Very high	162 Å²	162	53.3 Å²	53.3	87%	0.866	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.8	-179.6	-65.6	-45.5	0	0	0	114.3	S126 K130	S126-D128 PolarHBondContact O-N 2.86Å; D128-K130 PolarHBondContact O-N 3.11Å
129	H	86.4	Confident	92.5	Very high	98 Å²	98	56.5 Å²	56.5	45%	0.454	33%	0.333	S	S	.	.			trans	-70.6	106.3	178.5	-66	-65.4	0	0	0	111	S126 G127 I135	S126-H129 WeakPolarHBondContact O-CB 3.36Å; S126-H129 PolarHBondContact O-CD2 2.96Å; S126-H129 VanDerWaalsContact O-CD2 3.28Å; S126-H129 PolarHBondContact O-N 3.24Å; S126-H129 VanDerWaalsContact O-N 3.13Å; S126-H129 PolarHBondContact OG-O 2.93Å; G127-H129 PolarHBondContact O-N 3.24Å; H129-I135 HydrophobicContact CB-CG1 4.37Å
130	K	88.4	Confident	92.2	Very high	173 Å²	173	56.6 Å²	56.6	75%	0.752	33%	0.334	S	S	*	.			trans	-90.8	-19.1	174.8	-61.4	-175.8	-178.1	-178.6	0	114.3	D128 P132	D128-K130 PolarHBondContact O-N 3.11Å; K130-P132 WeakPolarHBondContact O-CD 3.32Å
131	D	93.3	Very high	92	Very high	88 Å²	88	60.4 Å²	60.4	47%	0.471	35%	0.352	S	S	.	.			trans	-93.3	116.1	174.4	178.2	7.7	0	0	0	110.4	L133 A134	D131-L133 PolarHBondContact O-N 2.89Å; D131-L133 VanDerWaalsContact O-N 3.12Å; D131-L133 WeakPolarHBondContact OD1-CB 3.35Å; D131-L133 PolarHBondContact OD1-N 2.89Å; D131-A134 HydrophobicContact CB-CB 4.35Å; D131-A134 WeakPolarHBondContact O-CB 3Å; D131-A134 PolarHBondContact O-N 2.71Å
132	P	94.8	Very high	91.8	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.032	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-25.6	174.3	-27.8	36.9	0	0	0	114.8	R117 V118 V121 K130 V284 P287	R117-P132 HydrophobicContact CB-CB 3.81Å; R117-P132 WeakPolarHBondContact CB-O 3.46Å; R117-P132 WeakPolarHBondContact CD-O 3.29Å; R117-P132 WeakPolarHBondContact CG-O 3.44Å; R117-P132 PolarHBondContact NE-O 3.18Å; V118-P132 HydrophobicContact CG2-CB 4.19Å; V118-P132 HydrophobicContact CG2-CG 3.9Å; V121-P132 HydrophobicContact CG2-CG 4.09Å; K130-P132 WeakPolarHBondContact O-CD 3.32Å; P132-V284 HydrophobicContact CG-CG2 3.39Å; P132-P287 HydrophobicContact CB-CG 3.99Å
133	L	93.5	Very high	91.4	Very high	97 Å²	97	69.1 Å²	69.1	51%	0.508	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-21.2	178.3	-71.1	177.1	0	0	0	113.7	D131 I135 P287	D131-L133 PolarHBondContact O-N 2.89Å; D131-L133 VanDerWaalsContact O-N 3.12Å; D131-L133 WeakPolarHBondContact OD1-CB 3.35Å; D131-L133 PolarHBondContact OD1-N 2.89Å; L133-I135 PolarHBondContact O-N 2.83Å; L133-P287 HydrophobicContact CD1-CB 4Å; L133-P287 HydrophobicContact CD2-CB 3.67Å; L133-P287 HydrophobicContact CD2-CG 4.18Å; L133-P287 HydrophobicContact CG-CB 3.62Å; L133-P287 HydrophobicContact CG-CG 4.35Å
134	A	93.4	Very high	91.1	Very high	51 Å²	51	70.9 Å²	70.9	42%	0.421	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.8	173.9	0	0	0	0	0	112.2	D131 P136	D131-A134 HydrophobicContact CB-CB 4.35Å; D131-A134 WeakPolarHBondContact O-CB 3Å; D131-A134 PolarHBondContact O-N 2.71Å; A134-P136 WeakPolarHBondContact O-CD 3.48Å
135	I	93.6	Very high	91.1	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.005	42%	0.42	C	S	.	.	S	Bend	trans	-74.8	119.8	179.4	-56.5	169.1	0	0	0	109.6	R117 M120 V121 S126 H129 L133 E139	R117-I135 HydrophobicContact CB-CD1 4.28Å; R117-I135 HydrophobicContact CG-CB 4.1Å; R117-I135 HydrophobicContact CG-CG2 4.2Å; R117-I135 VanDerWaalsContact CZ-O 3.22Å; R117-I135 PolarHBondContact NE-O 2.69Å; R117-I135 PolarHBondContact NH2-O 3.19Å; M120-I135 HydrophobicContact CB-CD1 4.02Å; M120-I135 HydrophobicContact CE-CG2 3.82Å; M120-I135 HydrophobicContact SD-CG2 4.08Å; V121-I135 HydrophobicContact CG2-CD1 3.92Å; S126-I135 VanDerWaalsContact CB-CD1 3.49Å; H129-I135 HydrophobicContact CB-CG1 4.37Å; L133-I135 PolarHBondContact O-N 2.83Å; I135-E139 HydrophobicContact CG2-CB 4.32Å
136	P	92.8	Very high	91.2	Very high	56 Å²	56	68.7 Å²	68.7	36%	0.364	41%	0.406	S	S	.	.			trans	-56.2	146.1	177.1	-26.5	35.8	0	0	0	113.7	A134 N138 E139 A140	A134-P136 WeakPolarHBondContact O-CD 3.48Å; P136-N138 VanDerWaalsContact C-N 3.3Å; P136-N138 WeakPolarHBondContact CB-OD1 3.34Å; P136-N138 PolarHBondContact O-N 3.36Å; P136-E139 HydrophobicContact CB-CB 4.19Å; P136-E139 WeakPolarHBondContact CD-OE2 3.31Å; P136-E139 WeakPolarHBondContact O-CB 3.12Å; P136-E139 PolarHBondContact O-N 1.97Å; P136-A140 PolarHBondContact O-N 2.85Å
137	A	90.1	Very high	91.5	Very high	48 Å²	48	73.8 Å²	73.8	40%	0.397	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-32.8	-175.1	0	0	0	0	0	113.1	T113 H141	T113-A137 HydrophobicContact CG2-CB 3.98Å; A137-H141 PolarHBondContact O-CD2 2.85Å
138	N	91.3	Very high	91.9	Very high	122 Å²	122	72.1 Å²	72.1	65%	0.652	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-39.3	174.6	55.8	-57	0	0	0	112.1	P136 A140 H141 V142	P136-N138 VanDerWaalsContact C-N 3.3Å; P136-N138 WeakPolarHBondContact CB-OD1 3.34Å; P136-N138 PolarHBondContact O-N 3.36Å; N138-A140 VanDerWaalsContact C-N 3.33Å; N138-A140 PolarHBondContact O-N 2.93Å; N138-H141 PolarHBondContact O-N 3.06Å; N138-V142 PolarHBondContact O-N 2.93Å
139	E	92.3	Very high	92.5	Very high	67 Å²	67	64.4 Å²	64.4	31%	0.313	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-63.7	-40.1	178.7	-165.2	-174.2	125.8	0	0	111.7	M120 I135 P136 H141 V142 N145	M120-E139 HydrophobicContact CE-CG 4.28Å; I135-E139 HydrophobicContact CG2-CB 4.32Å; P136-E139 HydrophobicContact CB-CB 4.19Å; P136-E139 WeakPolarHBondContact CD-OE2 3.31Å; P136-E139 WeakPolarHBondContact O-CB 3.12Å; P136-E139 PolarHBondContact O-N 1.97Å; E139-H141 PolarHBondContact O-N 3.23Å; E139-V142 WeakPolarHBondContact O-CB 3.47Å; E139-V142 PolarHBondContact O-N 3.48Å; E139-N145 PolarHBondContact O-ND2 2.95Å; E139-N145 VanDerWaalsContact O-ND2 3.17Å
140	A	92.4	Very high	93.1	Very high	3 Å²	3	61 Å²	61	3%	0.025	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-64.3	-4.7	172.9	0	0	0	0	0	114.7	T113 K116 R117 M120 P136 N138	T113-A140 HydrophobicContact CG2-CB 4.12Å; K116-A140 HydrophobicContact CB-CB 4.28Å; K116-A140 WeakPolarHBondContact CB-O 3.49Å; K116-A140 WeakPolarHBondContact CD-O 3.29Å; R117-A140 HydrophobicContact CG-CB 3.72Å; M120-A140 HydrophobicContact SD-CB 4.21Å; P136-A140 PolarHBondContact O-N 2.85Å; N138-A140 VanDerWaalsContact C-N 3.33Å; N138-A140 PolarHBondContact O-N 2.93Å
141	H	92.1	Very high	93.5	Very high	82 Å²	82	57.2 Å²	57.2	38%	0.38	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-117	6.9	173.7	-71.2	-67.3	0	0	0	113.7	C112 T113 K116 A137 N138 E139 P143	C112-H141 PolarHBondContact SG-CE1 3.02Å; T113-H141 WeakPolarHBondContact CA-NE2 3.47Å; T113-H141 WeakPolarHBondContact CB-NE2 3.39Å; T113-H141 WeakPolarHBondContact CG2-NE2 3.31Å; T113-H141 PolarHBondContact OG1-NE2 3.04Å; K116-H141 PolarHBondContact NZ-ND1 3.18Å; A137-H141 PolarHBondContact O-CD2 2.85Å; N138-H141 PolarHBondContact O-N 3.06Å; E139-H141 PolarHBondContact O-N 3.23Å; H141-P143 WeakPolarHBondContact O-CD 3.15Å
142	V	92.4	Very high	93.7	Very high	72 Å²	72	54.1 Å²	54.1	44%	0.436	32%	0.316	S	S	.	.			trans	-68.8	124.7	175	172.7	0	0	0	0	110.1	N138 E139 N145	N138-V142 PolarHBondContact O-N 2.93Å; E139-V142 WeakPolarHBondContact O-CB 3.47Å; E139-V142 PolarHBondContact O-N 3.48Å; V142-N145 PolarHBondContact O-N 3.02Å
143	P	88.3	Confident	93.9	Very high	124 Å²	124	56.6 Å²	56.6	81%	0.805	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	141.4	173.6	-23.1	34.5	0	0	0	111.8	H141	H141-P143 WeakPolarHBondContact O-CD 3.15Å
144	G	87.8	Confident	94	Very high	65 Å²	65	56.6 Å²	56.6	67%	0.67	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-24.4	-178.4	0	0	0	0	0	114.9	L146	G144-L146 VanDerWaalsContact C-N 3.27Å; G144-L146 PolarHBondContact O-N 3.09Å
145	N	92.1	Very high	94.2	Very high	45 Å²	45	58.6 Å²	58.6	24%	0.241	35%	0.346	C	S	.	.	S	Bend	trans	-63.7	-33.3	174.3	-78.5	6.8	0	0	0	112.4	V125 E139 V142	V125-N145 HydrophobicContact CG1-CB 4.12Å; V125-N145 WeakPolarHBondContact CG1-O 3.46Å; V125-N145 WeakPolarHBondContact CG2-O 2.86Å; E139-N145 PolarHBondContact O-ND2 2.95Å; E139-N145 VanDerWaalsContact O-ND2 3.17Å; V142-N145 PolarHBondContact O-N 3.02Å
146	L	95.9	Very high	94.4	Very high	21 Å²	21	62.4 Å²	62.4	11%	0.11	36%	0.364	C	S	.	.	S	Bend	trans	-131.8	119.9	177.1	-69.3	174.7	0	0	0	108.7	I95 K116 L119 M120 G144	I95-L146 HydrophobicContact CD1-CB 4.34Å; I95-L146 HydrophobicContact CD1-CD1 4.02Å; I95-L146 HydrophobicContact CG1-CB 4.47Å; I95-L146 HydrophobicContact CG2-CB 3.87Å; I95-L146 HydrophobicContact CG2-CD1 4.29Å; I95-L146 HydrophobicContact CG2-CD2 4.43Å; I95-L146 HydrophobicContact CG2-CG 4.43Å; K116-L146 HydrophobicContact CB-CD1 3.76Å; K116-L146 HydrophobicContact CG-CD1 3.93Å; L119-L146 HydrophobicContact CB-CD1 4.11Å; L119-L146 HydrophobicContact CB-CD2 4.02Å; M120-L146 HydrophobicContact CG-CD1 4.07Å; M120-L146 HydrophobicContact CG-CD2 3.96Å; M120-L146 HydrophobicContact CG-CG 3.97Å; G144-L146 VanDerWaalsContact C-N 3.27Å; G144-L146 PolarHBondContact O-N 3.09Å
147	R	96.9	Very high	94.6	Very high	114 Å²	114	60.3 Å²	60.3	43%	0.43	35%	0.35	S	S	.	.			trans	-74.9	135.2	-178.2	-166.1	172.5	178.1	174.8	2.7	110.8	V96 E151 Y152	V96-R147 PolarHBondContact N-O 3.1Å; R147-E151 HydrophobicContact CG-CB 3.99Å; R147-E151 PolarHBondContact NH2-O 3.06Å; R147-Y152 HydrophobicContact CB-CE2 4.41Å; R147-Y152 HydrophobicContact CG-CD2 4.42Å; R147-Y152 HydrophobicContact CG-CE2 3.68Å
148	T	97.7	Very high	94.9	Very high	20 Å²	20	61.4 Å²	61.4	12%	0.123	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-92.8	155.1	175.9	71.1	0	0	0	0	111.3	K92 I94 S150 E151 Y152	K92-T148 VanDerWaalsContact O-CG2 3.29Å; K92-T148 WeakPolarHBondContact O-CG2 3.34Å; I94-T148 CarbonylContact O-C 3.58Å; I94-T148 WeakPolarHBondContact O-CA 3.08Å; T148-S150 PolarHBondContact O-N 3.43Å; T148-S150 PolarHBondContact OG1-OG 3.41Å; T148-E151 WeakPolarHBondContact CA-OE1 3.33Å; T148-E151 WeakPolarHBondContact CB-OE1 3.46Å; T148-E151 PolarHBondContact N-OE1 3.38Å; T148-E151 WeakPolarHBondContact O-CB 3.14Å; T148-E151 PolarHBondContact O-N 2.97Å; T148-E151 PolarHBondContact OG1-OE1 3.46Å; T148-Y152 WeakPolarHBondContact O-CD2 3.49Å
149	L	98.2	Very high	95.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-63	-25.6	179.4	-171.9	62.8	0	0	0	111.5	L91 I94 V96 L103 E151 Y152 I157 R160 L161	L91-L149 HydrophobicContact CB-CB 4.21Å; L91-L149 HydrophobicContact CB-CG 4.45Å; L91-L149 HydrophobicContact CD1-CD2 4.35Å; L91-L149 HydrophobicContact CD1-CG 4.33Å; L91-L149 HydrophobicContact CD2-CD2 4.34Å; I94-L149 HydrophobicContact CB-CB 3.98Å; I94-L149 HydrophobicContact CB-CD2 4.42Å; I94-L149 HydrophobicContact CD1-CD2 4.21Å; I94-L149 HydrophobicContact CG2-CB 4.01Å; I94-L149 HydrophobicContact CG2-CD2 4.04Å; I94-L149 PolarHBondContact O-N 2.83Å; V96-L149 HydrophobicContact CG2-CB 3.84Å; V96-L149 HydrophobicContact CG2-CD1 3.95Å; L103-L149 HydrophobicContact CD1-CD2 4.26Å; L103-L149 HydrophobicContact CD2-CD1 4.11Å; L103-L149 HydrophobicContact CD2-CD2 4.29Å; L149-E151 PolarHBondContact O-N 3.17Å; L149-Y152 PolarHBondContact O-N 2.75Å; L149-I157 HydrophobicContact CD1-CB 4.4Å; L149-I157 HydrophobicContact CD1-CG1 4.12Å; L149-I157 HydrophobicContact CD1-CG2 4.44Å; L149-I157 HydrophobicContact CD2-CG2 4.34Å; L149-I157 HydrophobicContact CG-CG1 4.2Å; L149-I157 HydrophobicContact CG-CG2 4.23Å; L149-I157 WeakPolarHBondContact O-CD1 3.23Å; L149-I157 WeakPolarHBondContact O-CG1 3.46Å; L149-R160 HydrophobicContact CD1-CB 4.07Å; L149-L161 HydrophobicContact CD2-CD2 3.81Å; L149-L161 HydrophobicContact CD2-CG 4.05Å
150	S	97.7	Very high	95.5	Very high	28 Å²	28	57.7 Å²	57.7	20%	0.196	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-62.3	-20.1	173.9	76.8	0	0	0	0	114.8	P88 T148 Y152	P88-S150 WeakPolarHBondContact O-CB 3.05Å; T148-S150 PolarHBondContact O-N 3.43Å; T148-S150 PolarHBondContact OG1-OG 3.41Å; S150-Y152 VanDerWaalsContact C-N 3.35Å
151	E	97.4	Very high	95.8	Very high	92 Å²	92	59.2 Å²	59.2	43%	0.43	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-91.3	6.2	-177	-65.2	161.7	-107.3	0	0	113.3	R147 T148 L149	R147-E151 HydrophobicContact CG-CB 3.99Å; R147-E151 PolarHBondContact NH2-O 3.06Å; T148-E151 WeakPolarHBondContact CA-OE1 3.33Å; T148-E151 WeakPolarHBondContact CB-OE1 3.46Å; T148-E151 PolarHBondContact N-OE1 3.38Å; T148-E151 WeakPolarHBondContact O-CB 3.14Å; T148-E151 PolarHBondContact O-N 2.97Å; T148-E151 PolarHBondContact OG1-OE1 3.46Å; L149-E151 PolarHBondContact O-N 3.17Å
152	Y	97.6	Very high	96	Very high	23 Å²	23	64.9 Å²	64.9	9%	0.09	35%	0.352	C	S	.	.	S	Bend	trans	-106.1	158.3	179	-70.2	-98.8	0	0	0	111.3	V96 D98 R147 T148 L149 S150 Q156 I157 R160	V96-Y152 HydrophobicContact CB-CE2 3.96Å; V96-Y152 HydrophobicContact CG1-CE2 4.21Å; V96-Y152 HydrophobicContact CG2-CD2 4.23Å; V96-Y152 HydrophobicContact CG2-CE2 3.61Å; D98-Y152 PolarHBondContact OD2-OH 2.86Å; R147-Y152 HydrophobicContact CB-CE2 4.41Å; R147-Y152 HydrophobicContact CG-CD2 4.42Å; R147-Y152 HydrophobicContact CG-CE2 3.68Å; T148-Y152 WeakPolarHBondContact O-CD2 3.49Å; L149-Y152 PolarHBondContact O-N 2.75Å; S150-Y152 VanDerWaalsContact C-N 3.35Å; Y152-Q156 HydrophobicContact CD1-CB 4.12Å; Y152-Q156 HydrophobicContact CG-CB 4.49Å; Y152-I157 VanDerWaalsContact O-CD1 3.25Å; Y152-I157 WeakPolarHBondContact O-CD1 3.46Å; Y152-R160 VanDerWaalsContact CE1-CZ 3.46Å; Y152-R160 VanDerWaalsContact CE1-NH2 3.31Å
153	S	97.6	Very high	96.2	Very high	58 Å²	58	63.5 Å²	63.5	41%	0.406	35%	0.345	S	S	.	.			trans	-69.4	154.3	173.6	64.8	0	0	0	0	111.9	P155 Q156 I157	S153-P155 VanDerWaalsContact C-CD 3.47Å; S153-P155 VanDerWaalsContact C-N 3.33Å; S153-Q156 WeakPolarHBondContact O-CA 3.45Å; S153-Q156 WeakPolarHBondContact O-CB 3.25Å; S153-Q156 PolarHBondContact O-N 2.87Å; S153-Q156 VanDerWaalsContact OG-CD 3.26Å; S153-Q156 WeakPolarHBondContact OG-CG 3.27Å; S153-Q156 PolarHBondContact OG-OE1 3.15Å; S153-I157 WeakPolarHBondContact O-CG1 3.42Å; S153-I157 PolarHBondContact O-N 2.72Å
154	T	96.4	Very high	96.7	Very high	96 Å²	96	58.9 Å²	58.9	59%	0.589	31%	0.312	S	S	*	.	H	α-helix	trans	-50.6	-40.8	-179.9	-48.9	0	0	0	0	114.5	I157 N158	T154-I157 PolarHBondContact O-N 3.31Å; T154-N158 WeakPolarHBondContact O-CB 3.5Å; T154-N158 PolarHBondContact O-N 3.06Å; T154-N158 PolarHBondContact O-ND2 3.34Å
155	P	97.3	Very high	97.2	Very high	93 Å²	93	55.8 Å²	55.8	60%	0.604	28%	0.28	S	S	*	.	H	α-helix	trans	-63.3	-41.7	173.2	-23.2	35.5	0	0	0	113.4	S153 N158 Q159	S153-P155 VanDerWaalsContact C-CD 3.47Å; S153-P155 VanDerWaalsContact C-N 3.33Å; P155-N158 PolarHBondContact O-N 3.33Å; P155-Q159 WeakPolarHBondContact O-CB 3.47Å; P155-Q159 PolarHBondContact O-N 2.83Å
156	Q	98	Very high	97.5	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	27%	0.272	S	S	.	.	H	α-helix	trans	-67.3	-37.2	177.8	-73.6	168.9	-42.4	0	0	112.3	Y152 S153 R160	Y152-Q156 HydrophobicContact CD1-CB 4.12Å; Y152-Q156 HydrophobicContact CG-CB 4.49Å; S153-Q156 WeakPolarHBondContact O-CA 3.45Å; S153-Q156 WeakPolarHBondContact O-CB 3.25Å; S153-Q156 PolarHBondContact O-N 2.87Å; S153-Q156 VanDerWaalsContact OG-CD 3.26Å; S153-Q156 WeakPolarHBondContact OG-CG 3.27Å; S153-Q156 PolarHBondContact OG-OE1 3.15Å; Q156-R160 WeakPolarHBondContact O-CG 3.45Å; Q156-R160 PolarHBondContact O-N 3.26Å; Q156-R160 VanDerWaalsContact O-N 3.14Å; Q156-R160 PolarHBondContact O-NH1 3.29Å; Q156-R160 VanDerWaalsContact O-NH1 3.15Å
157	I	98.1	Very high	97.7	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-61.7	-52.5	172.4	-68.9	170.6	0	0	0	110	L91 L149 Y152 S153 T154 Q159 R160 L161	L91-I157 HydrophobicContact CD1-CD1 3.97Å; L91-I157 HydrophobicContact CD1-CG1 4.48Å; L91-I157 HydrophobicContact CD1-CG2 3.66Å; L149-I157 HydrophobicContact CD1-CB 4.4Å; L149-I157 HydrophobicContact CD1-CG1 4.12Å; L149-I157 HydrophobicContact CD1-CG2 4.44Å; L149-I157 HydrophobicContact CD2-CG2 4.34Å; L149-I157 HydrophobicContact CG-CG1 4.2Å; L149-I157 HydrophobicContact CG-CG2 4.23Å; L149-I157 WeakPolarHBondContact O-CD1 3.23Å; L149-I157 WeakPolarHBondContact O-CG1 3.46Å; Y152-I157 VanDerWaalsContact O-CD1 3.25Å; Y152-I157 WeakPolarHBondContact O-CD1 3.46Å; S153-I157 WeakPolarHBondContact O-CG1 3.42Å; S153-I157 PolarHBondContact O-N 2.72Å; T154-I157 PolarHBondContact O-N 3.31Å; I157-Q159 VanDerWaalsContact C-N 3.29Å; I157-Q159 PolarHBondContact O-N 3.2Å; I157-R160 PolarHBondContact O-N 2.97Å; I157-L161 HydrophobicContact CG2-CD1 3.72Å; I157-L161 HydrophobicContact CG2-CG 4.32Å; I157-L161 WeakPolarHBondContact O-CG 3.48Å; I157-L161 PolarHBondContact O-N 2.68Å
158	N	96.5	Very high	97.7	Very high	71 Å²	71	47.9 Å²	47.9	38%	0.38	25%	0.246	S	C	.	.	H	α-helix	trans	-62.1	-35.6	-179.2	-77.7	-34.7	0	0	0	112.8	T154 P155 R162	T154-N158 WeakPolarHBondContact O-CB 3.5Å; T154-N158 PolarHBondContact O-N 3.06Å; T154-N158 PolarHBondContact O-ND2 3.34Å; P155-N158 PolarHBondContact O-N 3.33Å; N158-R162 WeakPolarHBondContact O-CD 3.41Å; N158-R162 VanDerWaalsContact O-CG 3.22Å; N158-R162 WeakPolarHBondContact O-CG 3.21Å; N158-R162 PolarHBondContact O-N 3.23Å
159	Q	97.9	Very high	97.8	Very high	88 Å²	88	47 Å²	47	41%	0.411	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-51.9	174.6	176.3	-93.4	-22.6	0	0	110.7	P155 I157 L161 R162 S163	P155-Q159 WeakPolarHBondContact O-CB 3.47Å; P155-Q159 PolarHBondContact O-N 2.83Å; I157-Q159 VanDerWaalsContact C-N 3.29Å; I157-Q159 PolarHBondContact O-N 3.2Å; Q159-L161 PolarHBondContact O-N 3.04Å; Q159-R162 PolarHBondContact O-N 3.47Å; Q159-R162 VanDerWaalsContact O-N 3.16Å; Q159-S163 PolarHBondContact NE2-OG 3.01Å; Q159-S163 PolarHBondContact O-N 3.16Å; Q159-S163 PolarHBondContact O-OG 2.79Å
160	R	98.3	Very high	97.8	Very high	22 Å²	22	47 Å²	47	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-45.9	180	-70.1	167.3	174	63.6	3.6	112.9	D98 L103 L149 Y152 Q156 I157 R162 S163 Y164	D98-R160 IonicContact OD1-CZ 3.91Å; D98-R160 IonicContact OD1-NE 3.95Å; D98-R160 PolarHBondContact OD1-NE 3.06Å; D98-R160 IonicContact OD1-NH2 3.38Å; D98-R160 PolarHBondContact OD1-NH2 2.83Å; D98-R160 IonicContact OD2-CZ 2.82Å; D98-R160 IonicContact OD2-NE 3.52Å; D98-R160 IonicContact OD2-NH2 2.81Å; D98-R160 PolarHBondContact OD2-NH2 2.67Å; L103-R160 HydrophobicContact CD1-CB 4.16Å; L103-R160 HydrophobicContact CD2-CB 4.32Å; L149-R160 HydrophobicContact CD1-CB 4.07Å; Y152-R160 VanDerWaalsContact CE1-CZ 3.46Å; Y152-R160 VanDerWaalsContact CE1-NH2 3.31Å; Q156-R160 WeakPolarHBondContact O-CG 3.45Å; Q156-R160 PolarHBondContact O-N 3.26Å; Q156-R160 VanDerWaalsContact O-N 3.14Å; Q156-R160 PolarHBondContact O-NH1 3.29Å; Q156-R160 VanDerWaalsContact O-NH1 3.15Å; I157-R160 PolarHBondContact O-N 2.97Å; R160-R162 PolarHBondContact O-N 2.81Å; R160-R162 VanDerWaalsContact O-N 3.13Å; R160-S163 PolarHBondContact O-N 3.36Å; R160-Y164 HydrophobicContact CB-CD2 4.01Å; R160-Y164 HydrophobicContact CB-CE2 4.29Å; R160-Y164 HydrophobicContact CB-CG 4.33Å; R160-Y164 HydrophobicContact CG-CD2 3.9Å; R160-Y164 HydrophobicContact CG-CE2 3.66Å; R160-Y164 HydrophobicContact CG-CG 4.47Å; R160-Y164 WeakPolarHBondContact O-CB 3.49Å; R160-Y164 PolarHBondContact O-N 3.14Å
161	L	97.3	Very high	97.8	Very high	36 Å²	36	45.8 Å²	45.8	19%	0.188	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-28.3	177.8	-73.3	172.6	0	0	0	112.9	L103 L149 I157 Q159 K166 I256	L103-L161 HydrophobicContact CD1-CD2 4.06Å; L149-L161 HydrophobicContact CD2-CD2 3.81Å; L149-L161 HydrophobicContact CD2-CG 4.05Å; I157-L161 HydrophobicContact CG2-CD1 3.72Å; I157-L161 HydrophobicContact CG2-CG 4.32Å; I157-L161 WeakPolarHBondContact O-CG 3.48Å; I157-L161 PolarHBondContact O-N 2.68Å; Q159-L161 PolarHBondContact O-N 3.04Å; L161-K166 HydrophobicContact CD2-CD 4.47Å; L161-K166 WeakPolarHBondContact O-CD 3.45Å; L161-I256 HydrophobicContact CD2-CG2 4.29Å
162	R	96.8	Very high	97.8	Very high	201 Å²	201	42.4 Å²	42.4	76%	0.758	22%	0.216	S	C	*	.	H	α-helix	trans	-86.5	-35.6	178.2	-69.5	171	-175.8	-175.7	1	113.7	N158 Q159 R160	N158-R162 WeakPolarHBondContact O-CD 3.41Å; N158-R162 VanDerWaalsContact O-CG 3.22Å; N158-R162 WeakPolarHBondContact O-CG 3.21Å; N158-R162 PolarHBondContact O-N 3.23Å; Q159-R162 PolarHBondContact O-N 3.47Å; Q159-R162 VanDerWaalsContact O-N 3.16Å; R160-R162 PolarHBondContact O-N 2.81Å; R160-R162 VanDerWaalsContact O-N 3.13Å
163	S	96.9	Very high	97.8	Very high	42 Å²	42	41.4 Å²	41.4	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-105.8	-21.6	-169.1	59.9	0	0	0	0	115.4	Q159 R160	Q159-S163 PolarHBondContact NE2-OG 3.01Å; Q159-S163 PolarHBondContact O-N 3.16Å; Q159-S163 PolarHBondContact O-OG 2.79Å; R160-S163 PolarHBondContact O-N 3.36Å
164	Y	98.4	Very high	97.8	Very high	28 Å²	28	38.6 Å²	38.6	11%	0.11	19%	0.193	C	C	.	.	S	Bend	trans	-96.1	150.7	-173.3	-72.1	8	0	0	0	112	V96 D98 G101 L103 R160 K166	V96-Y164 HydrophobicContact CG1-CD2 4.49Å; V96-Y164 HydrophobicContact CG1-CE2 4.05Å; D98-Y164 WeakPolarHBondContact CA-OH 3.41Å; D98-Y164 PolarHBondContact O-OH 2.81Å; D98-Y164 VanDerWaalsContact OD1-CE2 3.31Å; D98-Y164 WeakPolarHBondContact OD1-CE2 3.47Å; D98-Y164 PolarHBondContact OD1-OH 3.27Å; D98-Y164 VanDerWaalsContact OD1-OH 3.09Å; G101-Y164 VanDerWaalsContact C-CG 3.4Å; G101-Y164 CarbonylContact O-C 3.44Å; G101-Y164 VanDerWaalsContact O-CA 3.24Å; G101-Y164 WeakPolarHBondContact O-CA 3.21Å; G101-Y164 WeakPolarHBondContact O-CB 3.38Å; L103-Y164 HydrophobicContact CD2-CD2 4.19Å; L103-Y164 HydrophobicContact CG-CD2 4.1Å; L103-Y164 HydrophobicContact CG-CG 4.49Å; R160-Y164 HydrophobicContact CB-CD2 4.01Å; R160-Y164 HydrophobicContact CB-CE2 4.29Å; R160-Y164 HydrophobicContact CB-CG 4.33Å; R160-Y164 HydrophobicContact CG-CD2 3.9Å; R160-Y164 HydrophobicContact CG-CE2 3.66Å; R160-Y164 HydrophobicContact CG-CG 4.47Å; R160-Y164 WeakPolarHBondContact O-CB 3.49Å; R160-Y164 PolarHBondContact O-N 3.14Å; Y164-K166 PolarHBondContact O-N 2.97Å; Y164-K166 PolarHBondContact O-NZ 3Å
165	L	98.4	Very high	97.8	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	117.1	173.2	-176.6	82.6	0	0	0	109.6	P47 L48 L51 G101 L102 L103 D259 V260 L277	P47-L165 HydrophobicContact CB-CB 3.82Å; P47-L165 HydrophobicContact CB-CD2 3.92Å; P47-L165 HydrophobicContact CB-CG 4.38Å; L48-L165 HydrophobicContact CD1-CD1 4.21Å; L51-L165 HydrophobicContact CB-CD1 4.41Å; L51-L165 HydrophobicContact CD2-CD1 3.89Å; G101-L165 PolarHBondContact O-N 3.17Å; L102-L165 WeakPolarHBondContact CA-O 3.46Å; L102-L165 HydrophobicContact CD2-CB 3.98Å; L102-L165 HydrophobicContact CD2-CD2 4.01Å; L103-L165 PolarHBondContact N-O 2.94Å; L165-D259 WeakPolarHBondContact CA-OD2 3.47Å; L165-D259 HydrophobicContact CD1-CB 3.64Å; L165-D259 HydrophobicContact CG-CB 4.48Å; L165-V260 HydrophobicContact CD1-CG2 4.36Å; L165-L277 HydrophobicContact CD1-CD1 4.26Å; L165-L277 HydrophobicContact CD2-CB 3.9Å; L165-L277 HydrophobicContact CD2-CD1 3.92Å
166	K	98.8	Very high	97.9	Very high	14 Å²	14	30.5 Å²	30.5	6%	0.061	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.3	-176.5	-64.3	155.8	-58	-62	0	108.6	L103 L161 Y164 I256 H257 Y258 D259 V260	L103-K166 HydrophobicContact CB-CB 4.48Å; L103-K166 HydrophobicContact CB-CG 3.95Å; L103-K166 HydrophobicContact CD1-CD 4.41Å; L103-K166 HydrophobicContact CD1-CG 3.77Å; L103-K166 HydrophobicContact CG-CG 4.39Å; L103-K166 CarbonylContact O-C 3.55Å; L103-K166 WeakPolarHBondContact O-CA 3.14Å; L161-K166 HydrophobicContact CD2-CD 4.47Å; L161-K166 WeakPolarHBondContact O-CD 3.45Å; Y164-K166 PolarHBondContact O-N 2.97Å; Y164-K166 PolarHBondContact O-NZ 3Å; K166-I256 HydrophobicContact CD-CG2 4.4Å; K166-H257 VanDerWaalsContact CD-O 3.31Å; K166-H257 WeakPolarHBondContact CD-O 3.49Å; K166-H257 WeakPolarHBondContact CE-O 3.34Å; K166-Y258 HydrophobicContact CB-CD1 4.06Å; K166-D259 VanDerWaalsContact CE-OD2 3.27Å; K166-D259 WeakPolarHBondContact CE-OD2 3.42Å; K166-D259 PolarHBondContact N-OD2 3.39Å; K166-D259 VanDerWaalsContact NZ-CG 3.34Å; K166-D259 IonicContact NZ-OD1 2.66Å; K166-D259 PolarHBondContact NZ-OD1 2.89Å; K166-D259 IonicContact NZ-OD2 3.3Å; K166-D259 PolarHBondContact NZ-OD2 2.59Å; K166-D259 PolarHBondContact O-N 3.19Å; K166-V260 PolarHBondContact O-N 2.81Å
167	F	98.8	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.4	177.5	72.7	-83.9	0	0	0	112.7	L102 L103 Y104 C105 W115 F169 V260 V274	L102-F167 HydrophobicContact CB-CE1 4.23Å; L102-F167 HydrophobicContact CD1-CE1 4.42Å; L103-F167 PolarHBondContact O-N 2.88Å; Y104-F167 WeakPolarHBondContact CA-O 2.92Å; Y104-F167 AromaticContact CD2-CD2 3.62Å; Y104-F167 HydrophobicContact CD2-CD2 3.62Å; Y104-F167 HydrophobicContact CD2-CE1 4.47Å; Y104-F167 AromaticContact CD2-CE2 3.22Å; Y104-F167 HydrophobicContact CD2-CE2 3.22Å; Y104-F167 HydrophobicContact CD2-CG 4.41Å; Y104-F167 AromaticContact CD2-CZ 3.72Å; Y104-F167 HydrophobicContact CD2-CZ 3.72Å; Y104-F167 HydrophobicContact CE2-CD2 4.27Å; Y104-F167 AromaticContact CE2-CE2 3.89Å; Y104-F167 HydrophobicContact CE2-CE2 3.89Å; Y104-F167 HydrophobicContact CG-CE1 4.49Å; Y104-F167 AromaticContact CG-CE2 3.82Å; Y104-F167 HydrophobicContact CG-CE2 3.82Å; Y104-F167 AromaticContact CG-CZ 3.82Å; Y104-F167 HydrophobicContact CG-CZ 3.82Å; C105-F167 PolarHBondContact N-O 3.47Å; W115-F167 AromaticContact CD2-CE2 3.94Å; W115-F167 HydrophobicContact CD2-CE2 3.94Å; W115-F167 HydrophobicContact CD2-CZ 4.41Å; W115-F167 AromaticContact CE2-CE2 3.87Å; W115-F167 AromaticContact CE3-CE2 3.92Å; W115-F167 HydrophobicContact CE3-CE2 3.92Å; W115-F167 AromaticContact CE3-CZ 3.95Å; W115-F167 HydrophobicContact CE3-CZ 3.95Å; W115-F167 AromaticContact CH2-CE2 3.83Å; W115-F167 HydrophobicContact CH2-CE2 3.83Å; W115-F167 HydrophobicContact CH2-CZ 4.11Å; W115-F167 AromaticContact CZ2-CE2 3.8Å; W115-F167 HydrophobicContact CZ2-CE2 3.8Å; W115-F167 AromaticContact CZ3-CE2 3.88Å; W115-F167 HydrophobicContact CZ3-CE2 3.88Å; W115-F167 AromaticContact CZ3-CZ 3.79Å; W115-F167 HydrophobicContact CZ3-CZ 3.79Å; F167-F169 AromaticContact CD2-CD2 3.99Å; F167-F169 HydrophobicContact CD2-CD2 3.99Å; F167-F169 AromaticContact CD2-CE2 3.75Å; F167-F169 HydrophobicContact CD2-CE2 3.75Å; F167-F169 HydrophobicContact CE2-CD2 4.31Å; F167-F169 HydrophobicContact CE2-CE2 4.05Å; F167-V260 VanDerWaalsContact CA-O 3.29Å; F167-V260 WeakPolarHBondContact CA-O 3.2Å; F167-V260 HydrophobicContact CB-CB 3.92Å; F167-V260 WeakPolarHBondContact CB-O 3.24Å; F167-V274 HydrophobicContact CB-CG2 4.39Å; F167-V274 HydrophobicContact CD1-CG1 3.89Å; F167-V274 HydrophobicContact CD2-CG1 4.1Å; F167-V274 HydrophobicContact CD2-CG2 4.19Å; F167-V274 HydrophobicContact CE1-CG1 3.77Å; F167-V274 HydrophobicContact CE2-CG1 3.98Å; F167-V274 HydrophobicContact CG-CG1 4.05Å; F167-V274 HydrophobicContact CG-CG2 4.26Å; F167-V274 HydrophobicContact CZ-CG1 3.8Å
168	L	98.8	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.3	167.7	80.9	158.5	0	0	0	109.9	C105 V170 V247 C251 Y258 V260 V261 G262 F326	C105-L168 HydrophobicContact CB-CB 3.96Å; L168-V170 HydrophobicContact CD1-CG1 3.55Å; L168-V170 HydrophobicContact CG-CG1 3.94Å; L168-V247 HydrophobicContact CD1-CG1 3.99Å; L168-C251 HydrophobicContact CD1-CB 3.98Å; L168-Y258 HydrophobicContact CB-CD1 4.22Å; L168-Y258 HydrophobicContact CB-CE1 4.13Å; L168-Y258 HydrophobicContact CD2-CD1 3.64Å; L168-Y258 HydrophobicContact CD2-CD2 3.82Å; L168-Y258 HydrophobicContact CD2-CE1 4.18Å; L168-Y258 HydrophobicContact CD2-CE2 4.34Å; L168-Y258 HydrophobicContact CD2-CG 3.44Å; L168-Y258 VanDerWaalsContact CD2-CG 3.44Å; L168-V260 PolarHBondContact N-O 3.08Å; L168-V261 HydrophobicContact CD2-CG1 4.4Å; L168-V261 HydrophobicContact CD2-CG2 4.12Å; L168-G262 PolarHBondContact O-N 3Å; L168-F326 HydrophobicContact CD1-CE1 4.14Å; L168-F326 HydrophobicContact CD1-CZ 4.05Å
169	F	98.6	Very high	97.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.4	169.2	-82.2	-106.6	0	0	0	109.8	Y104 V107 V110 W115 F167 G262 L267 D270 V274	Y104-F169 HydrophobicContact CE2-CD2 4.41Å; V107-F169 WeakPolarHBondContact CG2-O 3.31Å; V110-F169 HydrophobicContact CG1-CB 3.74Å; V110-F169 WeakPolarHBondContact CG1-O 3.17Å; W115-F169 AromaticContact CE2-CD2 3.84Å; W115-F169 AromaticContact CE2-CE2 3.5Å; W115-F169 VanDerWaalsContact CE2-CE2 3.5Å; W115-F169 AromaticContact CE2-CZ 3.96Å; W115-F169 HydrophobicContact CH2-CE2 4.43Å; W115-F169 HydrophobicContact CZ2-CD2 4.13Å; W115-F169 AromaticContact CZ2-CE2 3.3Å; W115-F169 HydrophobicContact CZ2-CE2 3.3Å; W115-F169 AromaticContact CZ2-CZ 3.55Å; W115-F169 HydrophobicContact CZ2-CZ 3.55Å; W115-F169 AromaticContact NE1-CD2 3.25Å; W115-F169 VanDerWaalsContact NE1-CD2 3.25Å; W115-F169 AromaticContact NE1-CE2 3.33Å; W115-F169 VanDerWaalsContact NE1-CE2 3.33Å; W115-F169 AromaticContact NE1-CG 3.65Å; W115-F169 AromaticContact NE1-CZ 3.76Å; F167-F169 AromaticContact CD2-CD2 3.99Å; F167-F169 HydrophobicContact CD2-CD2 3.99Å; F167-F169 AromaticContact CD2-CE2 3.75Å; F167-F169 HydrophobicContact CD2-CE2 3.75Å; F167-F169 HydrophobicContact CE2-CD2 4.31Å; F167-F169 HydrophobicContact CE2-CE2 4.05Å; F169-G262 CarbonylContact C-O 3.55Å; F169-G262 WeakPolarHBondContact CA-O 3.48Å; F169-L267 HydrophobicContact CD1-CD1 3.53Å; F169-L267 HydrophobicContact CE1-CD1 3.62Å; F169-L267 HydrophobicContact CG-CD1 4.46Å; F169-D270 HydrophobicContact CE1-CB 3.54Å; F169-D270 HydrophobicContact CZ-CB 3.74Å; F169-V274 HydrophobicContact CE2-CG2 4.35Å
170	V	98.4	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	165.6	-180	-52.7	0	0	0	0	111.1	V110 L168 V247 V261 G262 K263 Y264 F326 Y328	V110-V170 WeakPolarHBondContact CG1-O 3.28Å; L168-V170 HydrophobicContact CD1-CG1 3.55Å; L168-V170 HydrophobicContact CG-CG1 3.94Å; V170-V247 HydrophobicContact CG1-CG1 3.78Å; V170-V261 HydrophobicContact CG2-CG1 4.2Å; V170-G262 WeakPolarHBondContact CG2-O 3.37Å; V170-G262 PolarHBondContact N-O 3.04Å; V170-K263 HydrophobicContact CG2-CG 4.1Å; V170-K263 CarbonylContact O-C 3.43Å; V170-K263 WeakPolarHBondContact O-CA 3.33Å; V170-Y264 PolarHBondContact O-N 3.05Å; V170-F326 HydrophobicContact CB-CB 4.49Å; V170-F326 HydrophobicContact CB-CD1 4.28Å; V170-F326 HydrophobicContact CB-CD2 4.31Å; V170-F326 HydrophobicContact CB-CG 4.08Å; V170-F326 HydrophobicContact CG1-CD1 3.72Å; V170-F326 HydrophobicContact CG1-CD2 4.08Å; V170-F326 HydrophobicContact CG1-CE1 3.67Å; V170-F326 HydrophobicContact CG1-CE2 4.06Å; V170-F326 HydrophobicContact CG1-CG 3.93Å; V170-F326 HydrophobicContact CG1-CZ 3.84Å; V170-F326 HydrophobicContact CG2-CB 3.88Å; V170-F326 HydrophobicContact CG2-CD1 3.96Å; V170-F326 HydrophobicContact CG2-CG 3.87Å; V170-Y328 HydrophobicContact CG2-CE2 4.07Å
171	R	97	Very high	97.8	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.015	9%	0.089	C	C	.	.			trans	-146.3	155.2	-177.6	-177.4	174.2	-175.8	158.9	11.6	108.9	K109 V110 E175 R176 Y264 T295 Y328	K109-R171 PolarHBondContact O-NH1 3.03Å; V110-R171 HydrophobicContact CG1-CB 4.12Å; V110-R171 HydrophobicContact CG2-CB 3.82Å; R171-E175 IonicContact CZ-OE2 2.7Å; R171-E175 IonicContact NE-OE2 3.31Å; R171-E175 PolarHBondContact NE-OE2 2.79Å; R171-E175 IonicContact NH2-OE2 2.67Å; R171-E175 PolarHBondContact NH2-OE2 3.4Å; R171-R176 HydrophobicContact CB-CB 4.27Å; R171-R176 HydrophobicContact CG-CB 4.25Å; R171-Y264 HydrophobicContact CB-CG 4.4Å; R171-Y264 HydrophobicContact CG-CD1 4.17Å; R171-Y264 HydrophobicContact CG-CG 4.12Å; R171-Y264 VanDerWaalsContact NH1-CE1 3.31Å; R171-T295 PolarHBondContact NH2-O 3.39Å; R171-Y328 VanDerWaalsContact C-OH 3.29Å; R171-Y328 VanDerWaalsContact CA-OH 3.23Å; R171-Y328 WeakPolarHBondContact CA-OH 3.4Å; R171-Y328 PolarHBondContact N-OH 3.37Å
172	E	97.7	Very high	97.8	Very high	21 Å²	21	20.5 Å²	20.5	10%	0.098	9%	0.09	C	C	.	.			trans	-46.5	123.3	167.9	-164	-71.2	123.5	0	0	110.3	F174 E175 R176 E265 F323 Y328	E172-F174 VanDerWaalsContact C-N 3.31Å; E172-F174 VanDerWaalsContact CD-N 3.34Å; E172-F174 PolarHBondContact O-N 2.98Å; E172-F174 PolarHBondContact OE1-N 3.12Å; E172-F174 VanDerWaalsContact OE1-N 3.09Å; E172-F174 WeakPolarHBondContact OE2-CA 3.22Å; E172-F174 PolarHBondContact OE2-N 3.17Å; E172-E175 HydrophobicContact CB-CB 4.42Å; E172-E175 HydrophobicContact CB-CG 4.35Å; E172-E175 PolarHBondContact O-N 3.01Å; E172-E175 PolarHBondContact OE2-N 2.92Å; E172-R176 WeakPolarHBondContact O-CB 3.3Å; E172-R176 PolarHBondContact O-N 2.92Å; E172-E265 PolarHBondContact N-OE1 2.88Å; E172-F323 WeakPolarHBondContact OE1-CE1 3.37Å; E172-F323 WeakPolarHBondContact OE1-CZ 3.05Å; E172-Y328 HydrophobicContact CB-CD1 4Å; E172-Y328 HydrophobicContact CB-CE1 4.03Å; E172-Y328 HydrophobicContact CG-CD1 4.19Å; E172-Y328 VanDerWaalsContact N-CZ 3.29Å; E172-Y328 PolarHBondContact N-OH 3.41Å
173	P	98.1	Very high	97.6	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	7%	0.067	C	C	.	.	H	α-helix	trans	-57.4	-34.7	-169	-31	36.8	0	0	0	115.6	L177 Y319 D322 F323	P173-L177 WeakPolarHBondContact O-CB 3.48Å; P173-L177 PolarHBondContact O-N 2.69Å; P173-Y319 HydrophobicContact CB-CG 4.42Å; P173-D322 HydrophobicContact CG-CB 3.77Å; P173-F323 HydrophobicContact CB-CD2 4.3Å; P173-F323 HydrophobicContact CB-CE1 4.47Å; P173-F323 HydrophobicContact CB-CE2 3.71Å; P173-F323 HydrophobicContact CB-CZ 3.8Å; P173-F323 HydrophobicContact CG-CD1 4.16Å; P173-F323 HydrophobicContact CG-CD2 3.86Å; P173-F323 HydrophobicContact CG-CE1 4Å; P173-F323 HydrophobicContact CG-CE2 3.72Å; P173-F323 HydrophobicContact CG-CG 4.08Å; P173-F323 HydrophobicContact CG-CZ 3.79Å
174	F	97.7	Very high	97.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-85	-36.3	-175.5	-73.4	2.5	0	0	0	113	E172 R176 L177 V178 F304 L315 Y319 F323 P331 L334	E172-F174 VanDerWaalsContact C-N 3.31Å; E172-F174 VanDerWaalsContact CD-N 3.34Å; E172-F174 PolarHBondContact O-N 2.98Å; E172-F174 PolarHBondContact OE1-N 3.12Å; E172-F174 VanDerWaalsContact OE1-N 3.09Å; E172-F174 WeakPolarHBondContact OE2-CA 3.22Å; E172-F174 PolarHBondContact OE2-N 3.17Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.13Å; F174-L177 PolarHBondContact O-N 3.36Å; F174-V178 WeakPolarHBondContact O-CB 3.34Å; F174-V178 WeakPolarHBondContact O-CG2 3.17Å; F174-V178 PolarHBondContact O-N 3.25Å; F174-F304 HydrophobicContact CB-CE2 4.05Å; F174-F304 HydrophobicContact CB-CZ 3.95Å; F174-F304 HydrophobicContact CD1-CZ 4.14Å; F174-F304 HydrophobicContact CD2-CD1 4.28Å; F174-F304 AromaticContact CD2-CE1 3.41Å; F174-F304 HydrophobicContact CD2-CE1 3.41Å; F174-F304 VanDerWaalsContact CD2-CE1 3.41Å; F174-F304 HydrophobicContact CD2-CE2 4.02Å; F174-F304 AromaticContact CD2-CZ 3.23Å; F174-F304 HydrophobicContact CD2-CZ 3.23Å; F174-F304 HydrophobicContact CE1-CZ 4.43Å; F174-F304 HydrophobicContact CE2-CD1 4.3Å; F174-F304 AromaticContact CE2-CE1 3.33Å; F174-F304 HydrophobicContact CE2-CE1 3.33Å; F174-F304 AromaticContact CE2-CZ 3.58Å; F174-F304 HydrophobicContact CE2-CZ 3.58Å; F174-F304 HydrophobicContact CG-CE1 4.18Å; F174-F304 HydrophobicContact CG-CE2 4.16Å; F174-F304 AromaticContact CG-CZ 3.53Å; F174-F304 HydrophobicContact CG-CZ 3.53Å; F174-F304 HydrophobicContact CZ-CE1 4.07Å; F174-F304 HydrophobicContact CZ-CZ 4.17Å; F174-L315 HydrophobicContact CE1-CD2 4.11Å; F174-L315 HydrophobicContact CE1-CG 3.97Å; F174-L315 HydrophobicContact CZ-CB 4.26Å; F174-L315 HydrophobicContact CZ-CD2 4.02Å; F174-L315 HydrophobicContact CZ-CG 3.98Å; F174-Y319 AromaticContact CE1-CD2 3.96Å; F174-Y319 HydrophobicContact CE1-CD2 3.96Å; F174-Y319 HydrophobicContact CE1-CG 4.45Å; F174-F323 HydrophobicContact CD1-CE2 4.26Å; F174-F323 HydrophobicContact CD1-CZ 4.11Å; F174-F323 HydrophobicContact CE1-CE2 4.05Å; F174-F323 HydrophobicContact CE1-CZ 4.27Å; F174-F323 HydrophobicContact CG-CZ 4.26Å; F174-F323 HydrophobicContact CZ-CE2 4.43Å; F174-P331 HydrophobicContact CD2-CG 4.23Å; F174-L334 HydrophobicContact CD2-CD1 4.11Å; F174-L334 HydrophobicContact CD2-CD2 4.06Å; F174-L334 HydrophobicContact CE2-CD1 3.54Å; F174-L334 HydrophobicContact CE2-CD2 3.72Å; F174-L334 HydrophobicContact CE2-CG 4.24Å; F174-L334 HydrophobicContact CZ-CD1 4.48Å
175	E	97.3	Very high	97.5	Very high	19 Å²	19	11.4 Å²	11.4	9%	0.089	5%	0.053	C	C	.	.	H	α-helix	trans	-57	-42.4	164.7	-74.2	-163.1	179.3	0	0	111.1	R171 E172 S179 T295 T296 G297 A300	R171-E175 IonicContact CZ-OE2 2.7Å; R171-E175 IonicContact NE-OE2 3.31Å; R171-E175 PolarHBondContact NE-OE2 2.79Å; R171-E175 IonicContact NH2-OE2 2.67Å; R171-E175 PolarHBondContact NH2-OE2 3.4Å; E172-E175 HydrophobicContact CB-CB 4.42Å; E172-E175 HydrophobicContact CB-CG 4.35Å; E172-E175 PolarHBondContact O-N 3.01Å; E172-E175 PolarHBondContact OE2-N 2.92Å; E175-S179 VanDerWaalsContact O-CB 3.27Å; E175-S179 WeakPolarHBondContact O-CB 3.46Å; E175-S179 PolarHBondContact O-N 3.32Å; E175-T295 HydrophobicContact CB-CG2 4.43Å; E175-T296 VanDerWaalsContact OE1-C 3.3Å; E175-G297 PolarHBondContact OE1-N 3.35Å; E175-A300 HydrophobicContact CG-CB 4.25Å
176	R	97.7	Very high	97.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.9	-44.5	177	-169.8	-169.2	146.5	-109.1	-3.1	110.8	P108 K109 V110 R171 E172 F174 S179 A180 E242 H243 E245	P108-R176 PolarHBondContact O-NE 3.48Å; K109-R176 HydrophobicContact CB-CG 3.91Å; V110-R176 HydrophobicContact CG2-CG 4.29Å; R171-R176 HydrophobicContact CB-CB 4.27Å; R171-R176 HydrophobicContact CG-CB 4.25Å; E172-R176 WeakPolarHBondContact O-CB 3.3Å; E172-R176 PolarHBondContact O-N 2.92Å; F174-R176 VanDerWaalsContact C-N 3.25Å; F174-R176 PolarHBondContact O-N 3.13Å; R176-S179 WeakPolarHBondContact O-CB 3.35Å; R176-S179 PolarHBondContact O-N 3.13Å; R176-A180 PolarHBondContact O-N 3.17Å; R176-E242 PolarHBondContact NH2-O 2.96Å; R176-H243 PolarHBondContact NH2-O 2.92Å; R176-E245 PolarHBondContact NH1-O 2.9Å; R176-E245 PolarHBondContact NH2-O 2.86Å
177	L	98.3	Very high	96.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.2	-44.5	178.4	-175.2	61.9	0	0	0	112.6	P173 F174 S179 A180 Y181 F222 F225 L229 W244 L315 Y319	P173-L177 WeakPolarHBondContact O-CB 3.48Å; P173-L177 PolarHBondContact O-N 2.69Å; F174-L177 PolarHBondContact O-N 3.36Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.16Å; L177-A180 WeakPolarHBondContact O-CA 3.43Å; L177-A180 VanDerWaalsContact O-CB 3.3Å; L177-A180 WeakPolarHBondContact O-CB 3.45Å; L177-A180 PolarHBondContact O-N 3.14Å; L177-Y181 PolarHBondContact O-N 2.98Å; L177-F222 HydrophobicContact CG-CE2 4.49Å; L177-F225 HydrophobicContact CD1-CE1 3.69Å; L177-F225 HydrophobicContact CD1-CZ 4.07Å; L177-F225 HydrophobicContact CG-CE1 4.24Å; L177-L229 HydrophobicContact CD1-CD1 3.74Å; L177-L229 HydrophobicContact CD2-CD1 4.06Å; L177-L229 HydrophobicContact CG-CD1 4.45Å; L177-W244 HydrophobicContact CD1-CB 3.78Å; L177-L315 HydrophobicContact CD2-CD1 4.03Å; L177-L315 HydrophobicContact CD2-CD2 3.82Å; L177-L315 HydrophobicContact CD2-CG 4.27Å; L177-Y319 HydrophobicContact CD2-CE2 4Å
178	V	97.8	Very high	96.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-38.9	174.7	167.8	0	0	0	0	110.8	F174 A180 Y181 R182 F222 T295 A300 F303 F304	F174-V178 WeakPolarHBondContact O-CB 3.34Å; F174-V178 WeakPolarHBondContact O-CG2 3.17Å; F174-V178 PolarHBondContact O-N 3.25Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 3.37Å; V178-Y181 PolarHBondContact O-N 2.84Å; V178-R182 HydrophobicContact CG1-CG 4.25Å; V178-R182 WeakPolarHBondContact O-CB 3.33Å; V178-R182 VanDerWaalsContact O-CG 3.25Å; V178-R182 WeakPolarHBondContact O-CG 3.45Å; V178-R182 PolarHBondContact O-N 2.83Å; V178-F222 HydrophobicContact CG2-CE1 4.48Å; V178-F222 HydrophobicContact CG2-CE2 3.87Å; V178-F222 HydrophobicContact CG2-CZ 3.75Å; V178-T295 HydrophobicContact CB-CG2 4.05Å; V178-T295 HydrophobicContact CG1-CG2 3.63Å; V178-A300 HydrophobicContact CG2-CB 4.35Å; V178-F303 HydrophobicContact CB-CD2 4.42Å; V178-F303 HydrophobicContact CG1-CD2 3.31Å; V178-F303 HydrophobicContact CG1-CE2 3.68Å; V178-F303 HydrophobicContact CG1-CG 4Å; V178-F303 HydrophobicContact CG2-CB 3.87Å; V178-F303 HydrophobicContact CG2-CD2 4.23Å; V178-F303 HydrophobicContact CG2-CG 4.16Å; V178-F304 HydrophobicContact CG2-CE2 4.11Å
179	S	96.6	Very high	95.9	Very high	23 Å²	23	31.8 Å²	31.8	16%	0.161	15%	0.154	C	C	.	.	H	α-helix	trans	-62.3	-34.4	171	-173.1	0	0	0	0	112.7	E175 R176 L177 N183	E175-S179 VanDerWaalsContact O-CB 3.27Å; E175-S179 WeakPolarHBondContact O-CB 3.46Å; E175-S179 PolarHBondContact O-N 3.32Å; R176-S179 WeakPolarHBondContact O-CB 3.35Å; R176-S179 PolarHBondContact O-N 3.13Å; L177-S179 VanDerWaalsContact C-N 3.31Å; L177-S179 PolarHBondContact O-N 3.16Å; S179-N183 WeakPolarHBondContact O-CB 3.35Å; S179-N183 PolarHBondContact O-N 3.33Å; S179-N183 VanDerWaalsContact O-N 3.13Å
180	A	97.4	Very high	95.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-50.6	173.9	0	0	0	0	0	111.6	K109 R176 L177 V178 N183 K184 H243	K109-A180 HydrophobicContact CG-CB 4.03Å; R176-A180 PolarHBondContact O-N 3.17Å; L177-A180 WeakPolarHBondContact O-CA 3.43Å; L177-A180 VanDerWaalsContact O-CB 3.3Å; L177-A180 WeakPolarHBondContact O-CB 3.45Å; L177-A180 PolarHBondContact O-N 3.14Å; V178-A180 VanDerWaalsContact C-N 3.29Å; V178-A180 PolarHBondContact O-N 3.37Å; A180-N183 PolarHBondContact O-N 2.77Å; A180-N183 VanDerWaalsContact O-N 3.17Å; A180-K184 WeakPolarHBondContact O-CB 3.38Å; A180-K184 PolarHBondContact O-N 3.41Å; A180-H243 HydrophobicContact CB-CB 4.38Å; A180-H243 WeakPolarHBondContact CB-O 3.45Å
181	Y	97.9	Very high	95.4	Very high	20 Å²	20	37 Å²	37	8%	0.078	19%	0.185	C	C	.	.	H	α-helix	trans	-57.6	-53.8	177.4	170.4	-97.2	0	0	0	112.1	L177 V178 N183 K184 F185 T186 V220 F222 F225 F303	L177-Y181 PolarHBondContact O-N 2.98Å; V178-Y181 PolarHBondContact O-N 2.84Å; Y181-N183 PolarHBondContact O-N 3.11Å; Y181-N183 VanDerWaalsContact O-N 3.12Å; Y181-K184 PolarHBondContact O-N 3.33Å; Y181-F185 HydrophobicContact CD2-CB 4Å; Y181-F185 AromaticContact CD2-CD2 3.65Å; Y181-F185 HydrophobicContact CD2-CD2 3.65Å; Y181-F185 HydrophobicContact CD2-CG 4.14Å; Y181-F185 HydrophobicContact CE2-CB 3.8Å; Y181-F185 HydrophobicContact CE2-CD2 4.21Å; Y181-F185 HydrophobicContact CE2-CG 4.25Å; Y181-F185 HydrophobicContact CG-CD2 4.46Å; Y181-F185 PolarHBondContact O-N 3.05Å; Y181-T186 HydrophobicContact CD1-CG2 4.01Å; Y181-T186 HydrophobicContact CE1-CG2 3.38Å; Y181-V220 PolarHBondContact OH-O 3.46Å; Y181-F222 HydrophobicContact CD1-CB 4.2Å; Y181-F222 AromaticContact CD1-CD2 3.84Å; Y181-F222 HydrophobicContact CD1-CD2 3.84Å; Y181-F222 HydrophobicContact CD1-CG 4.45Å; Y181-F222 HydrophobicContact CD2-CB 4.43Å; Y181-F222 HydrophobicContact CD2-CD2 4.03Å; Y181-F222 HydrophobicContact CE1-CB 3.93Å; Y181-F222 HydrophobicContact CE1-CD2 4.43Å; Y181-F222 HydrophobicContact CE2-CB 4.16Å; Y181-F222 HydrophobicContact CG-CB 4.46Å; Y181-F222 AromaticContact CG-CD2 3.63Å; Y181-F222 HydrophobicContact CG-CD2 3.63Å; Y181-F222 HydrophobicContact CG-CE2 4.45Å; Y181-F222 PolarHBondContact OH-N 2.93Å; Y181-F225 HydrophobicContact CD2-CB 4Å; Y181-F225 AromaticContact CD2-CD1 3.81Å; Y181-F225 HydrophobicContact CD2-CD1 3.81Å; Y181-F225 HydrophobicContact CD2-CG 4.04Å; Y181-F225 HydrophobicContact CE2-CB 4.32Å; Y181-F225 HydrophobicContact CG-CD1 4.25Å; Y181-F303 HydrophobicContact CD1-CD1 4.47Å; Y181-F303 AromaticContact CD1-CE1 3.93Å; Y181-F303 HydrophobicContact CD1-CE1 3.93Å; Y181-F303 HydrophobicContact CD1-CZ 4.38Å; Y181-F303 HydrophobicContact CE1-CD1 4.36Å; Y181-F303 AromaticContact CE1-CE1 3.6Å; Y181-F303 HydrophobicContact CE1-CE1 3.6Å; Y181-F303 HydrophobicContact CE1-CZ 4.23Å
182	R	95.8	Very high	95.3	Very high	58 Å²	58	40.2 Å²	40.2	22%	0.219	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-23.2	177.1	-68.6	174.8	72.1	-136.9	4.4	113.8	V178 T186 R187 T295 M299 F303	V178-R182 HydrophobicContact CG1-CG 4.25Å; V178-R182 WeakPolarHBondContact O-CB 3.33Å; V178-R182 VanDerWaalsContact O-CG 3.25Å; V178-R182 WeakPolarHBondContact O-CG 3.45Å; V178-R182 PolarHBondContact O-N 2.83Å; R182-T186 WeakPolarHBondContact CA-OG1 3.47Å; R182-T186 PolarHBondContact O-OG1 3.49Å; R182-R187 WeakPolarHBondContact O-CG 3.38Å; R182-T295 PolarHBondContact NH1-OG1 2.91Å; R182-M299 PolarHBondContact NH1-SD 2.79Å; R182-F303 HydrophobicContact CG-CE2 4.01Å; R182-F303 HydrophobicContact CG-CZ 3.9Å
183	N	93.4	Very high	95.2	Very high	50 Å²	50	41 Å²	41	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-85.4	-28.4	175.3	179.5	-114	0	0	0	113	K109 S179 A180 Y181 N190	K109-N183 HydrophobicContact CD-CB 4.43Å; K109-N183 WeakPolarHBondContact CE-OD1 3.44Å; K109-N183 PolarHBondContact NZ-OD1 2.95Å; S179-N183 WeakPolarHBondContact O-CB 3.35Å; S179-N183 PolarHBondContact O-N 3.33Å; S179-N183 VanDerWaalsContact O-N 3.13Å; A180-N183 PolarHBondContact O-N 2.77Å; A180-N183 VanDerWaalsContact O-N 3.17Å; Y181-N183 PolarHBondContact O-N 3.11Å; Y181-N183 VanDerWaalsContact O-N 3.12Å; N183-N190 PolarHBondContact O-ND2 2.89Å
184	K	96.4	Very high	95.2	Very high	23 Å²	23	41.2 Å²	41.2	10%	0.1	22%	0.217	C	C	.	.	H	α-helix	trans	-113.5	-20.5	-167.2	-67.8	-51.1	-163.5	175.5	0	116.8	A180 Y181 F193 H194 H243	A180-K184 WeakPolarHBondContact O-CB 3.38Å; A180-K184 PolarHBondContact O-N 3.41Å; Y181-K184 PolarHBondContact O-N 3.33Å; K184-F193 HydrophobicContact CB-CB 4.5Å; K184-F193 HydrophobicContact CB-CD1 3.99Å; K184-F193 HydrophobicContact CB-CG 4.34Å; K184-F193 HydrophobicContact CD-CD1 3.78Å; K184-F193 HydrophobicContact CD-CD2 3.94Å; K184-F193 HydrophobicContact CD-CE1 3.89Å; K184-F193 HydrophobicContact CD-CE2 4.05Å; K184-F193 HydrophobicContact CD-CG 3.81Å; K184-F193 HydrophobicContact CD-CZ 4.03Å; K184-F193 VanDerWaalsContact CE-CZ 3.41Å; K184-F193 HydrophobicContact CG-CD1 3.88Å; K184-F193 HydrophobicContact CG-CE1 4.03Å; K184-F193 HydrophobicContact CG-CG 4.34Å; K184-H194 PolarHBondContact O-CD2 3.38Å; K184-H194 PolarHBondContact O-NE2 2.71Å; K184-H243 WeakPolarHBondContact CE-CD2 3.35Å; K184-H243 WeakPolarHBondContact CE-NE2 3.48Å; K184-H243 PolarHBondContact NZ-NE2 3.42Å
185	F	96.3	Very high	95.1	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-29.4	-179.8	-61.9	-78.5	0	0	0	113.1	Y181 R187 H194 I201 V220 F225 W244	Y181-F185 HydrophobicContact CD2-CB 4Å; Y181-F185 AromaticContact CD2-CD2 3.65Å; Y181-F185 HydrophobicContact CD2-CD2 3.65Å; Y181-F185 HydrophobicContact CD2-CG 4.14Å; Y181-F185 HydrophobicContact CE2-CB 3.8Å; Y181-F185 HydrophobicContact CE2-CD2 4.21Å; Y181-F185 HydrophobicContact CE2-CG 4.25Å; Y181-F185 HydrophobicContact CG-CD2 4.46Å; Y181-F185 PolarHBondContact O-N 3.05Å; F185-R187 VanDerWaalsContact C-N 3.34Å; F185-R187 PolarHBondContact O-N 3.25Å; F185-H194 PolarHBondContact O-NE2 2.7Å; F185-I201 HydrophobicContact CE1-CD1 3.93Å; F185-I201 HydrophobicContact CZ-CD1 3.82Å; F185-V220 HydrophobicContact CD1-CB 4.22Å; F185-V220 HydrophobicContact CD1-CG1 4.32Å; F185-F225 HydrophobicContact CD2-CD2 4.48Å; F185-F225 AromaticContact CE2-CD2 3.68Å; F185-F225 HydrophobicContact CE2-CD2 3.68Å; F185-F225 AromaticContact CE2-CE2 3.67Å; F185-F225 HydrophobicContact CE2-CE2 3.67Å; F185-F225 HydrophobicContact CE2-CG 4.26Å; F185-F225 HydrophobicContact CE2-CZ 4.22Å; F185-F225 HydrophobicContact CZ-CD2 4.08Å; F185-F225 HydrophobicContact CZ-CE2 4.18Å; F185-W244 HydrophobicContact CE2-CZ3 4.34Å; F185-W244 HydrophobicContact CZ-CH2 4.5Å
186	T	93.1	Very high	95.1	Very high	68 Å²	68	53.4 Å²	53.4	42%	0.417	27%	0.266	S	S	.	.	S	Bend	trans	-94.1	22.4	-177.7	81	0	0	0	0	113.9	Y181 R182	Y181-T186 HydrophobicContact CD1-CG2 4.01Å; Y181-T186 HydrophobicContact CE1-CG2 3.38Å; R182-T186 WeakPolarHBondContact CA-OG1 3.47Å; R182-T186 PolarHBondContact O-OG1 3.49Å
187	R	91	Very high	95.1	Very high	120 Å²	120	53.8 Å²	53.8	45%	0.453	27%	0.267	S	S	.	.			trans	-135.2	101.7	-173	-67	-64.7	-178.9	166.9	2.8	108.8	R182 F185 Y189 N190 H194	R182-R187 WeakPolarHBondContact O-CG 3.38Å; F185-R187 VanDerWaalsContact C-N 3.34Å; F185-R187 PolarHBondContact O-N 3.25Å; R187-Y189 HydrophobicContact CB-CD1 4.36Å; R187-Y189 HydrophobicContact CB-CE1 3.92Å; R187-Y189 HydrophobicContact CG-CE1 4.37Å; R187-Y189 PolarHBondContact O-N 3.35Å; R187-N190 VanDerWaalsContact CB-ND2 3.28Å; R187-N190 WeakPolarHBondContact CB-ND2 3.41Å; R187-N190 PolarHBondContact O-N 3.14Å; R187-H194 PolarHBondContact O-CE1 2.95Å; R187-H194 PolarHBondContact O-NE2 2.65Å
188	S	88.1	Confident	95	Very high	101 Å²	101	53.8 Å²	53.8	71%	0.706	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	-34.9	-172.5	51.7	0	0	0	0	115.1	N190	S188-N190 VanDerWaalsContact C-N 3.3Å; S188-N190 PolarHBondContact O-N 2.79Å
189	Y	89.2	Confident	95	Very high	154 Å²	154	54.6 Å²	54.6	60%	0.604	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.2	179.2	63.9	-101.9	0	0	0	115.3	R187 T191	R187-Y189 HydrophobicContact CB-CD1 4.36Å; R187-Y189 HydrophobicContact CB-CE1 3.92Å; R187-Y189 HydrophobicContact CG-CE1 4.37Å; R187-Y189 PolarHBondContact O-N 3.35Å; Y189-T191 PolarHBondContact O-N 2.75Å
190	N	92	Very high	95	Very high	21 Å²	21	55.4 Å²	55.4	11%	0.112	27%	0.273	C	S	.	.			trans	-83.1	40.1	178.6	-73.9	-74.9	0	0	0	113.3	N183 R187 S188 A192 F193 H194	N183-N190 PolarHBondContact O-ND2 2.89Å; R187-N190 VanDerWaalsContact CB-ND2 3.28Å; R187-N190 WeakPolarHBondContact CB-ND2 3.41Å; R187-N190 PolarHBondContact O-N 3.14Å; S188-N190 VanDerWaalsContact C-N 3.3Å; S188-N190 PolarHBondContact O-N 2.79Å; N190-A192 PolarHBondContact O-N 3.36Å; N190-F193 HydrophobicContact CB-CB 4.37Å; N190-F193 PolarHBondContact O-N 3.05Å; N190-H194 PolarHBondContact O-CD2 2.76Å; N190-H194 PolarHBondContact O-N 3.2Å; N190-H194 VanDerWaalsContact O-N 3.08Å
191	T	94	Very high	95	Very high	88 Å²	88	55.4 Å²	55.4	54%	0.54	27%	0.273	S	S	.	.	H	α-helix	trans	-51.4	-34.2	-175.9	58	0	0	0	0	113.7	Y189 H194 K195	Y189-T191 PolarHBondContact O-N 2.75Å; T191-H194 PolarHBondContact O-N 2.92Å; T191-K195 WeakPolarHBondContact O-CB 3.48Å; T191-K195 WeakPolarHBondContact O-CG 3.27Å; T191-K195 PolarHBondContact O-N 3.13Å
192	A	94.9	Very high	95	Very high	72 Å²	72	54.4 Å²	54.4	60%	0.595	27%	0.269	S	S	*	.	H	α-helix	trans	-64.9	-37.7	175.2	0	0	0	0	0	113.7	N190 R196	N190-A192 PolarHBondContact O-N 3.36Å; A192-R196 VanDerWaalsContact O-CB 3.31Å; A192-R196 WeakPolarHBondContact O-CB 3.21Å; A192-R196 PolarHBondContact O-N 3.36Å
193	F	96.1	Very high	95	Very high	38 Å²	38	59.5 Å²	59.5	17%	0.167	29%	0.288	C	S	.	.	H	α-helix	trans	-74.6	-40	174.9	-87.8	-100.9	0	0	0	111.4	K184 N190 R196 Y197 G198 H243 W244	K184-F193 HydrophobicContact CB-CB 4.5Å; K184-F193 HydrophobicContact CB-CD1 3.99Å; K184-F193 HydrophobicContact CB-CG 4.34Å; K184-F193 HydrophobicContact CD-CD1 3.78Å; K184-F193 HydrophobicContact CD-CD2 3.94Å; K184-F193 HydrophobicContact CD-CE1 3.89Å; K184-F193 HydrophobicContact CD-CE2 4.05Å; K184-F193 HydrophobicContact CD-CG 3.81Å; K184-F193 HydrophobicContact CD-CZ 4.03Å; K184-F193 VanDerWaalsContact CE-CZ 3.41Å; K184-F193 HydrophobicContact CG-CD1 3.88Å; K184-F193 HydrophobicContact CG-CE1 4.03Å; K184-F193 HydrophobicContact CG-CG 4.34Å; N190-F193 HydrophobicContact CB-CB 4.37Å; N190-F193 PolarHBondContact O-N 3.05Å; F193-R196 PolarHBondContact O-N 3.41Å; F193-Y197 AromaticContact CD1-CD2 3.68Å; F193-Y197 HydrophobicContact CD1-CD2 3.68Å; F193-Y197 AromaticContact CD1-CE2 3.89Å; F193-Y197 HydrophobicContact CD1-CE2 3.89Å; F193-Y197 HydrophobicContact CE1-CD2 4.14Å; F193-Y197 AromaticContact CE1-CE2 3.87Å; F193-Y197 HydrophobicContact CE1-CE2 3.87Å; F193-Y197 HydrophobicContact CG-CD2 4.4Å; F193-Y197 PolarHBondContact O-N 3.48Å; F193-G198 PolarHBondContact O-N 3.39Å; F193-H243 AromaticContact CE1-CD2 3.75Å; F193-H243 AromaticContact CZ-CD2 3.64Å; F193-H243 AromaticContact CZ-NE2 3.76Å; F193-W244 HydrophobicContact CD1-CH2 4.44Å; F193-W244 HydrophobicContact CD1-CZ3 4.34Å; F193-W244 HydrophobicContact CE1-CH2 4.37Å; F193-W244 HydrophobicContact CE1-CZ3 4.2Å
194	H	97.3	Very high	95.1	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.019	29%	0.289	C	S	.	.	I	π-helix	trans	-60.8	-45.7	175.8	-54.6	172	0	0	0	110.7	K184 F185 R187 N190 T191 G198 T199 K216 D218	K184-H194 PolarHBondContact O-CD2 3.38Å; K184-H194 PolarHBondContact O-NE2 2.71Å; F185-H194 PolarHBondContact O-NE2 2.7Å; R187-H194 PolarHBondContact O-CE1 2.95Å; R187-H194 PolarHBondContact O-NE2 2.65Å; N190-H194 PolarHBondContact O-CD2 2.76Å; N190-H194 PolarHBondContact O-N 3.2Å; N190-H194 VanDerWaalsContact O-N 3.08Å; T191-H194 PolarHBondContact O-N 2.92Å; H194-G198 CarbonylContact O-C 3.45Å; H194-G198 WeakPolarHBondContact O-CA 3.46Å; H194-G198 PolarHBondContact O-N 3.44Å; H194-T199 PolarHBondContact O-N 3.11Å; H194-K216 CarbonylContact C-O 3.53Å; H194-K216 VanDerWaalsContact C-O 3.26Å; H194-K216 VanDerWaalsContact CB-O 3.31Å; H194-K216 WeakPolarHBondContact CB-O 3.48Å; H194-D218 HydrophobicContact CB-CB 4.07Å; H194-D218 WeakPolarHBondContact ND1-CB 3.01Å
195	K	97.2	Very high	95	Very high	129 Å²	129	62 Å²	62	56%	0.561	30%	0.295	S	S	*	.	I	π-helix	trans	-66.1	-48.6	175.2	-74	-169.8	172.1	-167.7	0	113.3	T191 T199	T191-K195 WeakPolarHBondContact O-CB 3.48Å; T191-K195 WeakPolarHBondContact O-CG 3.27Å; T191-K195 PolarHBondContact O-N 3.13Å; K195-T199 PolarHBondContact O-OG1 3.42Å
196	R	96.5	Very high	94.9	Very high	147 Å²	147	64 Å²	64	56%	0.555	30%	0.302	S	S	*	.	I	π-helix	trans	-70.2	-48.1	-176.3	179.5	173.2	176.1	170.2	-2	113.5	A192 F193 E238	A192-R196 VanDerWaalsContact O-CB 3.31Å; A192-R196 WeakPolarHBondContact O-CB 3.21Å; A192-R196 PolarHBondContact O-N 3.36Å; F193-R196 PolarHBondContact O-N 3.41Å; R196-E238 IonicContact CZ-OE2 3.41Å; R196-E238 IonicContact NE-OE2 3.27Å; R196-E238 IonicContact NH2-OE2 3.58Å; R196-E238 PolarHBondContact NH2-OE2 3.08Å
197	Y	97.4	Very high	94.9	Very high	7 Å²	7	66.3 Å²	66.3	3%	0.027	32%	0.319	C	S	.	.	I	π-helix	trans	-106.3	-40.7	-172.7	-61.9	-72	0	0	0	111.8	F193 K200 I201 N241 W244	F193-Y197 AromaticContact CD1-CD2 3.68Å; F193-Y197 HydrophobicContact CD1-CD2 3.68Å; F193-Y197 AromaticContact CD1-CE2 3.89Å; F193-Y197 HydrophobicContact CD1-CE2 3.89Å; F193-Y197 HydrophobicContact CE1-CD2 4.14Å; F193-Y197 AromaticContact CE1-CE2 3.87Å; F193-Y197 HydrophobicContact CE1-CE2 3.87Å; F193-Y197 HydrophobicContact CG-CD2 4.4Å; F193-Y197 PolarHBondContact O-N 3.48Å; Y197-K200 WeakPolarHBondContact O-CB 3.38Å; Y197-K200 PolarHBondContact O-N 2.89Å; Y197-I201 WeakPolarHBondContact O-CD1 3.4Å; Y197-I201 WeakPolarHBondContact O-CG1 3.21Å; Y197-I201 PolarHBondContact O-N 2.93Å; Y197-N241 HydrophobicContact CE2-CB 4.49Å; Y197-N241 PolarHBondContact OH-ND2 3.37Å; Y197-W244 AromaticContact CD1-CH2 3.92Å; Y197-W244 HydrophobicContact CD1-CH2 3.92Å; Y197-W244 AromaticContact CD1-CZ2 3.79Å; Y197-W244 HydrophobicContact CD1-CZ2 3.79Å; Y197-W244 AromaticContact CD2-CH2 3.66Å; Y197-W244 HydrophobicContact CD2-CH2 3.66Å; Y197-W244 HydrophobicContact CD2-CZ2 4.34Å; Y197-W244 HydrophobicContact CE1-CH2 4.07Å; Y197-W244 AromaticContact CE1-CZ2 3.78Å; Y197-W244 HydrophobicContact CE1-CZ2 3.78Å; Y197-W244 AromaticContact CE2-CH2 3.79Å; Y197-W244 HydrophobicContact CE2-CH2 3.79Å; Y197-W244 HydrophobicContact CE2-CZ2 4.3Å; Y197-W244 AromaticContact CG-CH2 3.71Å; Y197-W244 HydrophobicContact CG-CH2 3.71Å; Y197-W244 HydrophobicContact CG-CZ2 4.07Å; Y197-W244 AromaticContact CZ-CH2 3.99Å
198	G	97.6	Very high	95	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-60.2	-54.4	-177.2	0	0	0	0	0	113	F193 H194 K200 I201 V202 G217 V220	F193-G198 PolarHBondContact O-N 3.39Å; H194-G198 CarbonylContact O-C 3.45Å; H194-G198 WeakPolarHBondContact O-CA 3.46Å; H194-G198 PolarHBondContact O-N 3.44Å; G198-K200 PolarHBondContact O-N 3.07Å; G198-I201 WeakPolarHBondContact O-CB 3.42Å; G198-I201 PolarHBondContact O-N 2.98Å; G198-I201 VanDerWaalsContact O-N 3.1Å; G198-V202 WeakPolarHBondContact O-CG2 3.31Å; G198-V202 PolarHBondContact O-N 2.92Å; G198-G217 WeakPolarHBondContact CA-O 3.08Å; G198-V220 WeakPolarHBondContact O-CG2 3.48Å
199	T	97.5	Very high	95.4	Very high	18 Å²	18	64.7 Å²	64.7	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-32.3	177.8	69.4	0	0	0	0	112.8	H194 K195 R203 L214	H194-T199 PolarHBondContact O-N 3.11Å; K195-T199 PolarHBondContact O-OG1 3.42Å; T199-R203 VanDerWaalsContact O-CB 3.26Å; T199-R203 WeakPolarHBondContact O-CB 3.47Å; T199-R203 PolarHBondContact O-N 3.46Å; T199-L214 VanDerWaalsContact CG2-O 3.29Å; T199-L214 WeakPolarHBondContact CG2-O 3.45Å
200	K	96.6	Very high	95.7	Very high	39 Å²	39	64.1 Å²	64.1	17%	0.17	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-42.2	176.6	-172.7	179.1	-177.9	179.2	0	111.6	Y197 G198 R204 Y228 E237 E238	Y197-K200 WeakPolarHBondContact O-CB 3.38Å; Y197-K200 PolarHBondContact O-N 2.89Å; G198-K200 PolarHBondContact O-N 3.07Å; K200-R204 WeakPolarHBondContact O-CB 3.26Å; K200-R204 PolarHBondContact O-N 3.28Å; K200-Y228 HydrophobicContact CD-CE2 4.25Å; K200-E237 WeakPolarHBondContact CE-OE2 3.43Å; K200-E237 IonicContact NZ-OE2 3.49Å; K200-E237 PolarHBondContact NZ-OE2 3.24Å; K200-E238 IonicContact NZ-OE1 2.77Å; K200-E238 PolarHBondContact NZ-OE1 3.24Å
201	I	97.5	Very high	95.9	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.9	-52.1	175	-67.4	163.1	0	0	0	110.1	F185 Y197 G198 R203 R204 H205 V220 E224 F225 Y228	F185-I201 HydrophobicContact CE1-CD1 3.93Å; F185-I201 HydrophobicContact CZ-CD1 3.82Å; Y197-I201 WeakPolarHBondContact O-CD1 3.4Å; Y197-I201 WeakPolarHBondContact O-CG1 3.21Å; Y197-I201 PolarHBondContact O-N 2.93Å; G198-I201 WeakPolarHBondContact O-CB 3.42Å; G198-I201 PolarHBondContact O-N 2.98Å; G198-I201 VanDerWaalsContact O-N 3.1Å; I201-R203 PolarHBondContact O-N 3.27Å; I201-R204 PolarHBondContact O-N 3.31Å; I201-R204 VanDerWaalsContact O-N 3.11Å; I201-H205 PolarHBondContact O-N 2.87Å; I201-V220 HydrophobicContact CB-CG1 4.38Å; I201-V220 HydrophobicContact CB-CG2 4.07Å; I201-V220 HydrophobicContact CD1-CG1 4.08Å; I201-V220 HydrophobicContact CG2-CG1 3.77Å; I201-V220 HydrophobicContact CG2-CG2 4.01Å; I201-E224 HydrophobicContact CG2-CB 3.62Å; I201-E224 WeakPolarHBondContact CG2-O 3.12Å; I201-F225 HydrophobicContact CD1-CD2 4.04Å; I201-Y228 HydrophobicContact CD1-CD1 4.12Å; I201-Y228 HydrophobicContact CD1-CG 4.14Å; I201-Y228 HydrophobicContact CG1-CD1 4.06Å; I201-Y228 HydrophobicContact CG1-CD2 3.77Å; I201-Y228 HydrophobicContact CG1-CE2 4.38Å; I201-Y228 HydrophobicContact CG1-CG 3.58Å
202	V	97.8	Very high	96	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-54.3	-52.4	178.3	173.5	0	0	0	0	110.9	G198 R204 R206 P209 A213 L214 V220	G198-V202 WeakPolarHBondContact O-CG2 3.31Å; G198-V202 PolarHBondContact O-N 2.92Å; V202-R204 PolarHBondContact O-N 3.22Å; V202-R204 VanDerWaalsContact O-N 3.14Å; V202-R206 HydrophobicContact CG1-CB 4.33Å; V202-R206 VanDerWaalsContact O-CB 3.25Å; V202-R206 WeakPolarHBondContact O-CB 3.24Å; V202-R206 PolarHBondContact O-N 3.23Å; V202-R206 VanDerWaalsContact O-N 3.11Å; V202-P209 HydrophobicContact CG1-CB 3.45Å; V202-P209 VanDerWaalsContact CG1-CB 3.45Å; V202-P209 HydrophobicContact CG1-CG 4.43Å; V202-A213 HydrophobicContact CG1-CB 3.94Å; V202-L214 HydrophobicContact CG1-CD2 4.11Å; V202-V220 HydrophobicContact CG2-CG2 3.59Å
203	R	95.9	Very high	96.1	Very high	165 Å²	165	64.8 Å²	64.8	62%	0.623	30%	0.303	S	S	*	.	H	α-helix	trans	-60.2	-25.3	-178.9	-176.7	178.9	-67.6	123.3	3.6	113.7	T199 I201 L214	T199-R203 VanDerWaalsContact O-CB 3.26Å; T199-R203 WeakPolarHBondContact O-CB 3.47Å; T199-R203 PolarHBondContact O-N 3.46Å; I201-R203 PolarHBondContact O-N 3.27Å; R203-L214 HydrophobicContact CB-CD2 4Å; R203-L214 HydrophobicContact CG-CD2 4.49Å
204	R	94.4	Very high	96.1	Very high	78 Å²	78	65.7 Å²	65.7	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-95.6	-35.5	-174.1	-171.7	172.2	-62.7	178.9	-4.1	113.9	K200 I201 V202 D231 T234 E237	K200-R204 WeakPolarHBondContact O-CB 3.26Å; K200-R204 PolarHBondContact O-N 3.28Å; I201-R204 PolarHBondContact O-N 3.31Å; I201-R204 VanDerWaalsContact O-N 3.11Å; V202-R204 PolarHBondContact O-N 3.22Å; V202-R204 VanDerWaalsContact O-N 3.14Å; R204-D231 VanDerWaalsContact CD-OD2 3.29Å; R204-D231 WeakPolarHBondContact CD-OD2 3.45Å; R204-T234 PolarHBondContact NH1-OG1 3.04Å; R204-E237 IonicContact CZ-OE1 3.04Å; R204-E237 IonicContact CZ-OE2 3.03Å; R204-E237 IonicContact NH1-OE1 3.41Å; R204-E237 PolarHBondContact NH1-OE1 2.72Å; R204-E237 IonicContact NH1-OE2 2.95Å; R204-E237 PolarHBondContact NH1-OE2 3.36Å; R204-E237 IonicContact NH2-OE1 2.92Å; R204-E237 PolarHBondContact NH2-OE1 3.48Å; R204-E237 IonicContact NH2-OE2 2.67Å; R204-E237 PolarHBondContact NH2-OE2 3.48Å
205	H	93.9	Very high	96.1	Very high	47 Å²	47	71.7 Å²	71.7	22%	0.218	34%	0.338	C	S	.	.	H	α-helix	trans	-117.7	-14	-167.5	-58.6	-59.9	0	0	0	114.4	I201 Y228 D231	I201-H205 PolarHBondContact O-N 2.87Å; H205-Y228 VanDerWaalsContact NE2-CA 3.32Å; H205-Y228 WeakPolarHBondContact NE2-CA 3.45Å; H205-Y228 PolarHBondContact NE2-N 3.08Å; H205-D231 IonicContact CE1-OD2 2.68Å
206	R	95.3	Very high	96	Very high	48 Å²	48	69.2 Å²	69.2	18%	0.181	33%	0.327	C	S	.	.			trans	-95.2	121.1	176.8	-160.5	174.5	-65	175.6	-2.6	109.2	V202 P209 A213 D219 E224	V202-R206 HydrophobicContact CG1-CB 4.33Å; V202-R206 VanDerWaalsContact O-CB 3.25Å; V202-R206 WeakPolarHBondContact O-CB 3.24Å; V202-R206 PolarHBondContact O-N 3.23Å; V202-R206 VanDerWaalsContact O-N 3.11Å; R206-P209 HydrophobicContact CB-CB 4.23Å; R206-P209 HydrophobicContact CG-CB 4.28Å; R206-A213 VanDerWaalsContact NH1-CB 3.3Å; R206-D219 IonicContact CZ-OD1 2.69Å; R206-D219 IonicContact NH1-OD1 2.87Å; R206-D219 PolarHBondContact NH1-OD1 3.4Å; R206-D219 IonicContact NH1-OD2 2.86Å; R206-D219 PolarHBondContact NH1-OD2 3Å; R206-D219 VanDerWaalsContact NH1-OD2 3.09Å; R206-D219 PolarHBondContact NH2-O 3.4Å; R206-D219 IonicContact NH2-OD1 3.75Å; R206-D219 PolarHBondContact NH2-OD1 3.09Å; R206-D219 VanDerWaalsContact NH2-OD1 3.15Å; R206-E224 IonicContact CZ-OE1 3.85Å; R206-E224 VanDerWaalsContact CZ-OE1 3.31Å; R206-E224 IonicContact CZ-OE2 3.19Å; R206-E224 IonicContact NE-OE1 3.56Å; R206-E224 PolarHBondContact NE-OE1 2.04Å; R206-E224 IonicContact NE-OE2 3.77Å; R206-E224 VanDerWaalsContact NH2-CD 3.35Å; R206-E224 IonicContact NH2-OE1 2.76Å; R206-E224 PolarHBondContact NH2-OE1 2.98Å; R206-E224 VanDerWaalsContact NH2-OE1 3.1Å; R206-E224 IonicContact NH2-OE2 3.16Å; R206-E224 PolarHBondContact NH2-OE2 3.22Å
207	P	92.4	Very high	96.1	Very high	117 Å²	117	62.2 Å²	62.2	76%	0.76	30%	0.301	S	S	*	.	S	Bend	trans	-61.9	-49.5	-177.2	-25.9	35.3	0	0	0	113.4	P209	P207-P209 WeakPolarHBondContact O-CD 3.27Å
208	D	93.7	Very high	96	Very high	152 Å²	152	65.4 Å²	65.4	81%	0.813	32%	0.318	S	S	*	.	S	Bend	trans	-123.8	74.4	-176.9	-61.1	-69	0	0	0	110.7	R210	D208-R210 PolarHBondContact O-N 3.03Å
209	P	95.3	Very high	95.9	Very high	34 Å²	34	67.9 Å²	67.9	22%	0.221	33%	0.331	C	S	.	.			trans	-75.4	128.1	-176.5	30.2	-33.3	0	0	0	111.6	V202 R206 P207 L214	V202-P209 HydrophobicContact CG1-CB 3.45Å; V202-P209 VanDerWaalsContact CG1-CB 3.45Å; V202-P209 HydrophobicContact CG1-CG 4.43Å; R206-P209 HydrophobicContact CB-CB 4.23Å; R206-P209 HydrophobicContact CG-CB 4.28Å; P207-P209 WeakPolarHBondContact O-CD 3.27Å; P209-L214 HydrophobicContact CB-CD2 4.02Å; P209-L214 HydrophobicContact CB-CG 3.99Å; P209-L214 HydrophobicContact CG-CD1 4.05Å; P209-L214 HydrophobicContact CG-CD2 3.77Å; P209-L214 HydrophobicContact CG-CG 3.94Å
210	R	95.9	Very high	95.9	Very high	142 Å²	142	67.2 Å²	67.2	54%	0.536	33%	0.327	S	S	.	.			trans	-54	142.7	170.6	-62.3	-178.1	-65.1	149.4	4.9	110.3	D208 E212 A213 L214 D219	D208-R210 PolarHBondContact O-N 3.03Å; R210-E212 IonicContact NH1-OE2 2.79Å; R210-E212 PolarHBondContact O-N 3.3Å; R210-E212 VanDerWaalsContact O-N 3.16Å; R210-A213 WeakPolarHBondContact O-CB 3.3Å; R210-A213 PolarHBondContact O-N 3.46Å; R210-L214 PolarHBondContact O-N 3.28Å; R210-D219 IonicContact CZ-OD2 2.72Å; R210-D219 IonicContact NH2-OD2 3.32Å; R210-D219 PolarHBondContact NH2-OD2 3.35Å
211	P	96.9	Very high	95.9	Very high	110 Å²	110	67.3 Å²	67.3	71%	0.714	33%	0.333	S	S	*	.	H	α-helix	trans	-52.4	-40.6	179.8	-29.2	35.6	0	0	0	113.9	A213 L214 E215	P211-A213 VanDerWaalsContact C-N 3.3Å; P211-A213 PolarHBondContact O-N 2.88Å; P211-L214 WeakPolarHBondContact O-CB 3.35Å; P211-L214 PolarHBondContact O-N 2.88Å; P211-L214 VanDerWaalsContact O-N 3.15Å; P211-E215 PolarHBondContact O-N 3.23Å; P211-E215 VanDerWaalsContact O-N 3.08Å
212	E	96.4	Very high	95.9	Very high	85 Å²	85	67.8 Å²	67.8	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-57.7	-38.9	175.6	-179	176.2	-148.9	0	0	113	R210 E215 K216	R210-E212 IonicContact NH1-OE2 2.79Å; R210-E212 PolarHBondContact O-N 3.3Å; R210-E212 VanDerWaalsContact O-N 3.16Å; E212-E215 PolarHBondContact O-N 3.37Å; E212-K216 HydrophobicContact CG-CD 3.78Å; E212-K216 HydrophobicContact CG-CG 4.38Å; E212-K216 WeakPolarHBondContact O-CB 3.42Å; E212-K216 PolarHBondContact O-N 3.47Å; E212-K216 IonicContact OE1-NZ 2.66Å; E212-K216 PolarHBondContact OE1-NZ 2.95Å
213	A	96.4	Very high	95.9	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-71.7	-32	178.8	0	0	0	0	0	112.3	V202 R206 R210 P211 E215 G217 D219	V202-A213 HydrophobicContact CG1-CB 3.94Å; R206-A213 VanDerWaalsContact NH1-CB 3.3Å; R210-A213 WeakPolarHBondContact O-CB 3.3Å; R210-A213 PolarHBondContact O-N 3.46Å; P211-A213 VanDerWaalsContact C-N 3.3Å; P211-A213 PolarHBondContact O-N 2.88Å; A213-E215 VanDerWaalsContact C-N 3.32Å; A213-G217 WeakPolarHBondContact O-CA 3.16Å; A213-G217 PolarHBondContact O-N 3.28Å; A213-D219 WeakPolarHBondContact CB-OD1 3.31Å
214	L	96.6	Very high	96	Very high	56 Å²	56	64.3 Å²	64.3	29%	0.293	33%	0.326	S	S	.	.	H	α-helix	trans	-70.7	-27	172.2	-69.2	174.2	0	0	0	112.8	T199 V202 R203 P209 R210 P211	T199-L214 VanDerWaalsContact CG2-O 3.29Å; T199-L214 WeakPolarHBondContact CG2-O 3.45Å; V202-L214 HydrophobicContact CG1-CD2 4.11Å; R203-L214 HydrophobicContact CB-CD2 4Å; R203-L214 HydrophobicContact CG-CD2 4.49Å; P209-L214 HydrophobicContact CB-CD2 4.02Å; P209-L214 HydrophobicContact CB-CG 3.99Å; P209-L214 HydrophobicContact CG-CD1 4.05Å; P209-L214 HydrophobicContact CG-CD2 3.77Å; P209-L214 HydrophobicContact CG-CG 3.94Å; R210-L214 PolarHBondContact O-N 3.28Å; P211-L214 WeakPolarHBondContact O-CB 3.35Å; P211-L214 PolarHBondContact O-N 2.88Å; P211-L214 VanDerWaalsContact O-N 3.15Å
215	E	96.5	Very high	96.2	Very high	130 Å²	130	60.6 Å²	60.6	61%	0.607	31%	0.312	S	S	*	.	H	α-helix	trans	-84.8	-47.2	178.5	-169.1	-165.3	158.2	0	0	112.7	P211 E212 A213	P211-E215 PolarHBondContact O-N 3.23Å; P211-E215 VanDerWaalsContact O-N 3.08Å; E212-E215 PolarHBondContact O-N 3.37Å; A213-E215 VanDerWaalsContact C-N 3.32Å
216	K	96.3	Very high	96.4	Very high	78 Å²	78	58.3 Å²	58.3	34%	0.339	30%	0.301	S	S	.	.	H	α-helix	trans	-94	-45.9	-172.1	-61.8	-178.3	-177.9	174.3	0	113.1	H194 E212 D218	H194-K216 CarbonylContact C-O 3.53Å; H194-K216 VanDerWaalsContact C-O 3.26Å; H194-K216 VanDerWaalsContact CB-O 3.31Å; H194-K216 WeakPolarHBondContact CB-O 3.48Å; E212-K216 HydrophobicContact CG-CD 3.78Å; E212-K216 HydrophobicContact CG-CG 4.38Å; E212-K216 WeakPolarHBondContact O-CB 3.42Å; E212-K216 PolarHBondContact O-N 3.47Å; E212-K216 IonicContact OE1-NZ 2.66Å; E212-K216 PolarHBondContact OE1-NZ 2.95Å; K216-D218 HydrophobicContact CB-CB 4.49Å; K216-D218 WeakPolarHBondContact CB-OD1 3.37Å; K216-D218 PolarHBondContact O-N 2.92Å
217	G	96.7	Very high	96.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.			trans	64.3	21.6	-175.7	0	0	0	0	0	114.6	G198 A213	G198-G217 WeakPolarHBondContact CA-O 3.08Å; A213-G217 WeakPolarHBondContact O-CA 3.16Å; A213-G217 PolarHBondContact O-N 3.28Å
218	D	96.2	Very high	96.7	Very high	73 Å²	73	52.5 Å²	52.5	39%	0.39	26%	0.264	S	S	.	.			trans	-93.6	-1.3	-176.5	59.3	-13.3	0	0	0	113.9	H194 K216	H194-D218 HydrophobicContact CB-CB 4.07Å; H194-D218 WeakPolarHBondContact ND1-CB 3.01Å; K216-D218 HydrophobicContact CB-CB 4.49Å; K216-D218 WeakPolarHBondContact CB-OD1 3.37Å; K216-D218 PolarHBondContact O-N 2.92Å
219	D	96.4	Very high	96.9	Very high	52 Å²	52	45.3 Å²	45.3	28%	0.278	23%	0.226	S	C	.	.			trans	-108.2	21.6	177.1	77.7	-8	0	0	0	113.9	R206 R210 A213 S221	R206-D219 IonicContact CZ-OD1 2.69Å; R206-D219 IonicContact NH1-OD1 2.87Å; R206-D219 PolarHBondContact NH1-OD1 3.4Å; R206-D219 IonicContact NH1-OD2 2.86Å; R206-D219 PolarHBondContact NH1-OD2 3Å; R206-D219 VanDerWaalsContact NH1-OD2 3.09Å; R206-D219 PolarHBondContact NH2-O 3.4Å; R206-D219 IonicContact NH2-OD1 3.75Å; R206-D219 PolarHBondContact NH2-OD1 3.09Å; R206-D219 VanDerWaalsContact NH2-OD1 3.15Å; R210-D219 IonicContact CZ-OD2 2.72Å; R210-D219 IonicContact NH2-OD2 3.32Å; R210-D219 PolarHBondContact NH2-OD2 3.35Å; A213-D219 WeakPolarHBondContact CB-OD1 3.31Å; D219-S221 PolarHBondContact O-N 3.43Å
220	V	97	Very high	97	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.03	22%	0.22	C	C	.	.			trans	-66.7	126.7	176.9	164.6	0	0	0	0	111.4	Y181 F185 G198 I201 V202 E224 F225	Y181-V220 PolarHBondContact OH-O 3.46Å; F185-V220 HydrophobicContact CD1-CB 4.22Å; F185-V220 HydrophobicContact CD1-CG1 4.32Å; G198-V220 WeakPolarHBondContact O-CG2 3.48Å; I201-V220 HydrophobicContact CB-CG1 4.38Å; I201-V220 HydrophobicContact CB-CG2 4.07Å; I201-V220 HydrophobicContact CD1-CG1 4.08Å; I201-V220 HydrophobicContact CG2-CG1 3.77Å; I201-V220 HydrophobicContact CG2-CG2 4.01Å; V202-V220 HydrophobicContact CG2-CG2 3.59Å; V220-E224 WeakPolarHBondContact CA-OE2 3.27Å; V220-E224 HydrophobicContact CG1-CB 4.3Å; V220-F225 HydrophobicContact CG1-CB 4.32Å
221	S	96.8	Very high	97	Very high	41 Å²	41	39.6 Å²	39.6	29%	0.287	21%	0.205	S	C	.	.			trans	-78.4	162	175.1	89.6	0	0	0	0	112.4	D219 E223 E224 F225	D219-S221 PolarHBondContact O-N 3.43Å; S221-E223 PolarHBondContact O-N 2.91Å; S221-E223 PolarHBondContact OG-N 3.01Å; S221-E224 PolarHBondContact N-OE2 3.33Å; S221-E224 PolarHBondContact O-N 2.72Å; S221-E224 WeakPolarHBondContact OG-CG 3.49Å; S221-E224 PolarHBondContact OG-N 3.21Å; S221-E224 VanDerWaalsContact OG-N 3.09Å; S221-F225 PolarHBondContact O-N 3.06Å
222	F	97.8	Very high	96.8	Very high	10 Å²	10	38 Å²	38	4%	0.044	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-31.4	173.9	-178.4	-106.8	0	0	0	111.9	L177 V178 Y181 F225 V226 F303 F304 I307	L177-F222 HydrophobicContact CG-CE2 4.49Å; V178-F222 HydrophobicContact CG2-CE1 4.48Å; V178-F222 HydrophobicContact CG2-CE2 3.87Å; V178-F222 HydrophobicContact CG2-CZ 3.75Å; Y181-F222 HydrophobicContact CD1-CB 4.2Å; Y181-F222 AromaticContact CD1-CD2 3.84Å; Y181-F222 HydrophobicContact CD1-CD2 3.84Å; Y181-F222 HydrophobicContact CD1-CG 4.45Å; Y181-F222 HydrophobicContact CD2-CB 4.43Å; Y181-F222 HydrophobicContact CD2-CD2 4.03Å; Y181-F222 HydrophobicContact CE1-CB 3.93Å; Y181-F222 HydrophobicContact CE1-CD2 4.43Å; Y181-F222 HydrophobicContact CE2-CB 4.16Å; Y181-F222 HydrophobicContact CG-CB 4.46Å; Y181-F222 AromaticContact CG-CD2 3.63Å; Y181-F222 HydrophobicContact CG-CD2 3.63Å; Y181-F222 HydrophobicContact CG-CE2 4.45Å; Y181-F222 PolarHBondContact OH-N 2.93Å; F222-F225 HydrophobicContact CD2-CD1 4.16Å; F222-F225 HydrophobicContact CE2-CD1 4.23Å; F222-F225 PolarHBondContact O-N 2.98Å; F222-V226 HydrophobicContact CD1-CG2 4.14Å; F222-V226 HydrophobicContact CE1-CG2 3.7Å; F222-V226 HydrophobicContact CE2-CG2 4.31Å; F222-V226 HydrophobicContact CZ-CG2 3.79Å; F222-V226 WeakPolarHBondContact O-CG2 3.01Å; F222-V226 PolarHBondContact O-N 2.92Å; F222-F303 HydrophobicContact CB-CD1 3.6Å; F222-F303 HydrophobicContact CB-CE1 4.13Å; F222-F303 HydrophobicContact CD1-CB 3.78Å; F222-F303 HydrophobicContact CD1-CD1 4.04Å; F222-F303 HydrophobicContact CD1-CG 4.35Å; F222-F303 VanDerWaalsContact CD1-O 3.23Å; F222-F303 WeakPolarHBondContact CD1-O 3.48Å; F222-F303 HydrophobicContact CD2-CD1 4.21Å; F222-F303 HydrophobicContact CE1-CB 3.89Å; F222-F303 HydrophobicContact CG-CB 4.21Å; F222-F303 AromaticContact CG-CD1 3.68Å; F222-F303 HydrophobicContact CG-CD1 3.68Å; F222-F303 HydrophobicContact CG-CG 4.3Å; F222-F303 HydrophobicContact CZ-CB 4.43Å; F222-F304 AromaticContact CE1-CD2 3.78Å; F222-F304 HydrophobicContact CE1-CD2 3.78Å; F222-F304 AromaticContact CE1-CE2 3.66Å; F222-F304 HydrophobicContact CE1-CE2 3.66Å; F222-F304 HydrophobicContact CE1-CG 4.5Å; F222-F304 HydrophobicContact CE1-CZ 4.25Å; F222-F304 HydrophobicContact CZ-CD2 4.13Å; F222-F304 AromaticContact CZ-CE2 3.56Å; F222-F304 HydrophobicContact CZ-CE2 3.56Å; F222-F304 HydrophobicContact CZ-CZ 4.1Å; F222-I307 HydrophobicContact CD1-CD1 4.08Å; F222-I307 HydrophobicContact CD1-CG1 4.33Å; F222-I307 HydrophobicContact CE1-CD1 4.42Å; F222-I307 HydrophobicContact CE1-CG1 4.29Å
223	E	97.4	Very high	96.7	Very high	71 Å²	71	35 Å²	35	33%	0.332	18%	0.184	S	C	.	.	H	α-helix	trans	-64.7	-49.5	175.8	-178.5	-175.4	-170.4	0	0	111.4	S221 F225 V226 Y227 I307	S221-E223 PolarHBondContact O-N 2.91Å; S221-E223 PolarHBondContact OG-N 3.01Å; E223-F225 VanDerWaalsContact C-N 3.26Å; E223-F225 PolarHBondContact O-N 3.04Å; E223-V226 PolarHBondContact O-N 2.76Å; E223-V226 VanDerWaalsContact O-N 3.11Å; E223-Y227 HydrophobicContact CG-CD1 4.47Å; E223-Y227 HydrophobicContact CG-CD2 4.34Å; E223-Y227 HydrophobicContact CG-CE1 3.76Å; E223-Y227 HydrophobicContact CG-CE2 3.63Å; E223-Y227 WeakPolarHBondContact CG-OH 3.45Å; E223-Y227 VanDerWaalsContact O-CD1 3.28Å; E223-Y227 WeakPolarHBondContact O-CD1 3.02Å; E223-Y227 VanDerWaalsContact O-CG 3.24Å; E223-Y227 PolarHBondContact O-N 3.39Å; E223-Y227 VanDerWaalsContact OE1-CZ 3.29Å; E223-Y227 PolarHBondContact OE1-OH 3.44Å; E223-I307 VanDerWaalsContact CA-CD1 3.48Å; E223-I307 HydrophobicContact CB-CD1 3.69Å; E223-I307 HydrophobicContact CG-CD1 3.97Å
224	E	97.4	Very high	96.6	Very high	20 Å²	20	34.9 Å²	34.9	9%	0.093	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-36.7	175.5	-65.2	173.9	127.3	0	0	111.6	I201 R206 V220 S221 Y227 Y228	I201-E224 HydrophobicContact CG2-CB 3.62Å; I201-E224 WeakPolarHBondContact CG2-O 3.12Å; R206-E224 IonicContact CZ-OE1 3.85Å; R206-E224 VanDerWaalsContact CZ-OE1 3.31Å; R206-E224 IonicContact CZ-OE2 3.19Å; R206-E224 IonicContact NE-OE1 3.56Å; R206-E224 PolarHBondContact NE-OE1 2.04Å; R206-E224 IonicContact NE-OE2 3.77Å; R206-E224 VanDerWaalsContact NH2-CD 3.35Å; R206-E224 IonicContact NH2-OE1 2.76Å; R206-E224 PolarHBondContact NH2-OE1 2.98Å; R206-E224 VanDerWaalsContact NH2-OE1 3.1Å; R206-E224 IonicContact NH2-OE2 3.16Å; R206-E224 PolarHBondContact NH2-OE2 3.22Å; V220-E224 WeakPolarHBondContact CA-OE2 3.27Å; V220-E224 HydrophobicContact CG1-CB 4.3Å; S221-E224 PolarHBondContact N-OE2 3.33Å; S221-E224 PolarHBondContact O-N 2.72Å; S221-E224 WeakPolarHBondContact OG-CG 3.49Å; S221-E224 PolarHBondContact OG-N 3.21Å; S221-E224 VanDerWaalsContact OG-N 3.09Å; E224-Y227 PolarHBondContact O-N 3.15Å; E224-Y228 PolarHBondContact O-N 2.77Å
225	F	98.1	Very high	96.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.2	-42.2	173.4	178.6	-122.6	0	0	0	112.5	L177 Y181 F185 I201 V220 S221 F222 E223 Y227 Y228 L229 W244	L177-F225 HydrophobicContact CD1-CE1 3.69Å; L177-F225 HydrophobicContact CD1-CZ 4.07Å; L177-F225 HydrophobicContact CG-CE1 4.24Å; Y181-F225 HydrophobicContact CD2-CB 4Å; Y181-F225 AromaticContact CD2-CD1 3.81Å; Y181-F225 HydrophobicContact CD2-CD1 3.81Å; Y181-F225 HydrophobicContact CD2-CG 4.04Å; Y181-F225 HydrophobicContact CE2-CB 4.32Å; Y181-F225 HydrophobicContact CG-CD1 4.25Å; F185-F225 HydrophobicContact CD2-CD2 4.48Å; F185-F225 AromaticContact CE2-CD2 3.68Å; F185-F225 HydrophobicContact CE2-CD2 3.68Å; F185-F225 AromaticContact CE2-CE2 3.67Å; F185-F225 HydrophobicContact CE2-CE2 3.67Å; F185-F225 HydrophobicContact CE2-CG 4.26Å; F185-F225 HydrophobicContact CE2-CZ 4.22Å; F185-F225 HydrophobicContact CZ-CD2 4.08Å; F185-F225 HydrophobicContact CZ-CE2 4.18Å; I201-F225 HydrophobicContact CD1-CD2 4.04Å; V220-F225 HydrophobicContact CG1-CB 4.32Å; S221-F225 PolarHBondContact O-N 3.06Å; F222-F225 HydrophobicContact CD2-CD1 4.16Å; F222-F225 HydrophobicContact CE2-CD1 4.23Å; F222-F225 PolarHBondContact O-N 2.98Å; E223-F225 VanDerWaalsContact C-N 3.26Å; E223-F225 PolarHBondContact O-N 3.04Å; F225-Y227 VanDerWaalsContact C-N 3.32Å; F225-Y227 PolarHBondContact O-N 3.39Å; F225-Y228 HydrophobicContact CD2-CD1 4.33Å; F225-Y228 HydrophobicContact CE2-CD1 4.48Å; F225-Y228 PolarHBondContact O-N 3.15Å; F225-L229 HydrophobicContact CD1-CD1 4.22Å; F225-L229 HydrophobicContact CD2-CG 4.49Å; F225-L229 HydrophobicContact CE1-CD1 3.82Å; F225-L229 HydrophobicContact CE2-CD1 4.14Å; F225-L229 HydrophobicContact CE2-CD2 4.16Å; F225-L229 HydrophobicContact CE2-CG 4.18Å; F225-L229 HydrophobicContact CZ-CD1 3.77Å; F225-L229 HydrophobicContact CZ-CD2 4.3Å; F225-L229 HydrophobicContact CZ-CG 4.29Å; F225-L229 WeakPolarHBondContact O-CG 3.38Å; F225-L229 PolarHBondContact O-N 3.24Å; F225-L229 VanDerWaalsContact O-N 3.13Å; F225-W244 HydrophobicContact CE2-CD2 4.01Å; F225-W244 HydrophobicContact CE2-CE3 4.03Å; F225-W244 HydrophobicContact CE2-CG 4.42Å; F225-W244 HydrophobicContact CE2-CZ3 4.37Å; F225-W244 HydrophobicContact CZ-CB 4.06Å; F225-W244 AromaticContact CZ-CD2 3.92Å; F225-W244 HydrophobicContact CZ-CD2 3.92Å; F225-W244 AromaticContact CZ-CE3 3.87Å; F225-W244 HydrophobicContact CZ-CE3 3.87Å; F225-W244 HydrophobicContact CZ-CG 4.05Å
226	V	98.1	Very high	96.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-41.5	173	167.3	0	0	0	0	110.9	F222 E223 Y228 L229 V230 I307 L315	F222-V226 HydrophobicContact CD1-CG2 4.14Å; F222-V226 HydrophobicContact CE1-CG2 3.7Å; F222-V226 HydrophobicContact CE2-CG2 4.31Å; F222-V226 HydrophobicContact CZ-CG2 3.79Å; F222-V226 WeakPolarHBondContact O-CG2 3.01Å; F222-V226 PolarHBondContact O-N 2.92Å; E223-V226 PolarHBondContact O-N 2.76Å; E223-V226 VanDerWaalsContact O-N 3.11Å; V226-Y228 VanDerWaalsContact C-N 3.34Å; V226-Y228 PolarHBondContact O-N 2.94Å; V226-L229 PolarHBondContact O-N 3.33Å; V226-V230 WeakPolarHBondContact O-CG2 3.33Å; V226-V230 PolarHBondContact O-N 3.18Å; V226-V230 VanDerWaalsContact O-N 3.16Å; V226-I307 HydrophobicContact CB-CD1 4.47Å; V226-I307 HydrophobicContact CG1-CG2 4.16Å; V226-I307 HydrophobicContact CG2-CD1 4.35Å; V226-L315 HydrophobicContact CG1-CB 4.45Å; V226-L315 HydrophobicContact CG1-CD1 4.37Å; V226-L315 HydrophobicContact CG1-CD2 4.05Å; V226-L315 HydrophobicContact CG2-CD2 3.83Å
227	Y	97.4	Very high	95.9	Very high	40 Å²	40	40.5 Å²	40.5	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-43	178.7	-64.6	-6.7	0	0	0	111.5	E223 E224 F225 L229 V230 D231 Y311	E223-Y227 HydrophobicContact CG-CD1 4.47Å; E223-Y227 HydrophobicContact CG-CD2 4.34Å; E223-Y227 HydrophobicContact CG-CE1 3.76Å; E223-Y227 HydrophobicContact CG-CE2 3.63Å; E223-Y227 WeakPolarHBondContact CG-OH 3.45Å; E223-Y227 VanDerWaalsContact O-CD1 3.28Å; E223-Y227 WeakPolarHBondContact O-CD1 3.02Å; E223-Y227 VanDerWaalsContact O-CG 3.24Å; E223-Y227 PolarHBondContact O-N 3.39Å; E223-Y227 VanDerWaalsContact OE1-CZ 3.29Å; E223-Y227 PolarHBondContact OE1-OH 3.44Å; E224-Y227 PolarHBondContact O-N 3.15Å; F225-Y227 VanDerWaalsContact C-N 3.32Å; F225-Y227 PolarHBondContact O-N 3.39Å; Y227-L229 PolarHBondContact O-N 2.89Å; Y227-V230 PolarHBondContact O-N 3.11Å; Y227-D231 WeakPolarHBondContact O-CB 3.08Å; Y227-D231 PolarHBondContact O-N 3.36Å; Y227-D231 VanDerWaalsContact O-N 3.08Å; Y227-Y311 AromaticContact CD1-CD1 3.5Å; Y227-Y311 HydrophobicContact CD1-CD1 3.5Å; Y227-Y311 AromaticContact CD1-CD2 3.87Å; Y227-Y311 HydrophobicContact CD1-CD2 3.87Å; Y227-Y311 AromaticContact CD1-CE1 3.49Å; Y227-Y311 HydrophobicContact CD1-CE1 3.49Å; Y227-Y311 VanDerWaalsContact CD1-CE1 3.49Å; Y227-Y311 AromaticContact CD1-CE2 3.89Å; Y227-Y311 HydrophobicContact CD1-CE2 3.89Å; Y227-Y311 AromaticContact CD1-CG 3.68Å; Y227-Y311 HydrophobicContact CD1-CG 3.68Å; Y227-Y311 AromaticContact CD1-CZ 3.68Å; Y227-Y311 AromaticContact CE1-CD1 3.68Å; Y227-Y311 HydrophobicContact CE1-CD1 3.68Å; Y227-Y311 AromaticContact CE1-CD2 3.13Å; Y227-Y311 HydrophobicContact CE1-CD2 3.13Å; Y227-Y311 AromaticContact CE1-CE1 3.79Å; Y227-Y311 HydrophobicContact CE1-CE1 3.79Å; Y227-Y311 AromaticContact CE1-CE2 3.3Å; Y227-Y311 HydrophobicContact CE1-CE2 3.3Å; Y227-Y311 AromaticContact CE1-CG 3.33Å; Y227-Y311 HydrophobicContact CE1-CG 3.33Å; Y227-Y311 AromaticContact CE1-CZ 3.6Å; Y227-Y311 HydrophobicContact CE2-CE2 4.4Å; Y227-Y311 HydrophobicContact CG-CE1 4.13Å; Y227-Y311 AromaticContact CZ-CD2 3.73Å; Y227-Y311 AromaticContact CZ-CE2 3.55Å
228	Y	97.4	Very high	95.7	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-40.6	173.9	167.1	-100.5	0	0	0	113.8	K200 I201 H205 E224 F225 V226 T234 W244	K200-Y228 HydrophobicContact CD-CE2 4.25Å; I201-Y228 HydrophobicContact CD1-CD1 4.12Å; I201-Y228 HydrophobicContact CD1-CG 4.14Å; I201-Y228 HydrophobicContact CG1-CD1 4.06Å; I201-Y228 HydrophobicContact CG1-CD2 3.77Å; I201-Y228 HydrophobicContact CG1-CE2 4.38Å; I201-Y228 HydrophobicContact CG1-CG 3.58Å; H205-Y228 VanDerWaalsContact NE2-CA 3.32Å; H205-Y228 WeakPolarHBondContact NE2-CA 3.45Å; H205-Y228 PolarHBondContact NE2-N 3.08Å; E224-Y228 PolarHBondContact O-N 2.77Å; F225-Y228 HydrophobicContact CD2-CD1 4.33Å; F225-Y228 HydrophobicContact CE2-CD1 4.48Å; F225-Y228 PolarHBondContact O-N 3.15Å; V226-Y228 VanDerWaalsContact C-N 3.34Å; V226-Y228 PolarHBondContact O-N 2.94Å; Y228-T234 HydrophobicContact CD1-CG2 4.31Å; Y228-T234 HydrophobicContact CD2-CG2 3.92Å; Y228-T234 WeakPolarHBondContact CD2-OG1 3.46Å; Y228-T234 HydrophobicContact CE1-CG2 3.84Å; Y228-T234 HydrophobicContact CE2-CG2 3.4Å; Y228-T234 HydrophobicContact CG-CG2 4.34Å; Y228-T234 WeakPolarHBondContact O-CB 3.41Å; Y228-T234 PolarHBondContact O-OG1 3.14Å; Y228-W244 HydrophobicContact CE1-CZ2 4.22Å
229	L	97.8	Very high	95.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-33.1	-179.5	-66.8	172.5	0	0	0	113.3	L177 F225 V226 Y227 F240 W244 L315 L318	L177-L229 HydrophobicContact CD1-CD1 3.74Å; L177-L229 HydrophobicContact CD2-CD1 4.06Å; L177-L229 HydrophobicContact CG-CD1 4.45Å; F225-L229 HydrophobicContact CD1-CD1 4.22Å; F225-L229 HydrophobicContact CD2-CG 4.49Å; F225-L229 HydrophobicContact CE1-CD1 3.82Å; F225-L229 HydrophobicContact CE2-CD1 4.14Å; F225-L229 HydrophobicContact CE2-CD2 4.16Å; F225-L229 HydrophobicContact CE2-CG 4.18Å; F225-L229 HydrophobicContact CZ-CD1 3.77Å; F225-L229 HydrophobicContact CZ-CD2 4.3Å; F225-L229 HydrophobicContact CZ-CG 4.29Å; F225-L229 WeakPolarHBondContact O-CG 3.38Å; F225-L229 PolarHBondContact O-N 3.24Å; F225-L229 VanDerWaalsContact O-N 3.13Å; V226-L229 PolarHBondContact O-N 3.33Å; Y227-L229 PolarHBondContact O-N 2.89Å; L229-F240 HydrophobicContact CD2-CD1 4.45Å; L229-F240 HydrophobicContact CD2-CE1 4.14Å; L229-F240 HydrophobicContact CD2-CZ 4.28Å; L229-F240 WeakPolarHBondContact O-CZ 3.45Å; L229-W244 HydrophobicContact CD2-CB 4.29Å; L229-W244 HydrophobicContact CD2-CG 3.79Å; L229-L315 HydrophobicContact CB-CD1 4.25Å; L229-L315 HydrophobicContact CD1-CD1 4.21Å; L229-L318 HydrophobicContact CB-CD2 4.22Å
230	V	97.3	Very high	95.6	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.103	22%	0.217	C	C	.	.	H	α-helix	trans	-99.6	5.3	-176.6	-56.4	0	0	0	0	113.7	V226 Y227 P232 Y311 K314 L315	V226-V230 WeakPolarHBondContact O-CG2 3.33Å; V226-V230 PolarHBondContact O-N 3.18Å; V226-V230 VanDerWaalsContact O-N 3.16Å; Y227-V230 PolarHBondContact O-N 3.11Å; V230-P232 WeakPolarHBondContact O-CD 3.4Å; V230-Y311 HydrophobicContact CG2-CD1 3.59Å; V230-Y311 HydrophobicContact CG2-CE1 3.98Å; V230-K314 HydrophobicContact CB-CB 3.94Å; V230-K314 HydrophobicContact CB-CD 4.24Å; V230-K314 HydrophobicContact CG1-CB 3.95Å; V230-K314 HydrophobicContact CG2-CB 4.35Å; V230-K314 HydrophobicContact CG2-CD 4.2Å; V230-L315 HydrophobicContact CG1-CB 3.97Å; V230-L315 HydrophobicContact CG1-CD1 3.79Å
231	D	96.1	Very high	95.6	Very high	39 Å²	39	43.8 Å²	43.8	21%	0.209	22%	0.222	C	C	.	.			trans	-79.2	119.4	168.8	-173.9	-15.2	0	0	0	110.4	R204 H205 Y227 A233 T234	R204-D231 VanDerWaalsContact CD-OD2 3.29Å; R204-D231 WeakPolarHBondContact CD-OD2 3.45Å; H205-D231 IonicContact CE1-OD2 2.68Å; Y227-D231 WeakPolarHBondContact O-CB 3.08Å; Y227-D231 PolarHBondContact O-N 3.36Å; Y227-D231 VanDerWaalsContact O-N 3.08Å; D231-A233 PolarHBondContact O-N 3.45Å; D231-A233 VanDerWaalsContact O-N 3.12Å; D231-A233 VanDerWaalsContact OD1-CB 3.28Å; D231-A233 WeakPolarHBondContact OD1-CB 3.41Å; D231-A233 PolarHBondContact OD1-N 3.03Å; D231-T234 WeakPolarHBondContact O-CB 3.29Å; D231-T234 PolarHBondContact O-N 3.36Å; D231-T234 VanDerWaalsContact O-N 3.08Å
232	P	93.4	Very high	95.6	Very high	77 Å²	77	44.5 Å²	44.5	50%	0.5	22%	0.221	S	C	.	.	H	α-helix	trans	-59.8	-18.9	175.2	-22.9	34.3	0	0	0	114.6	V230 R236	V230-P232 WeakPolarHBondContact O-CD 3.4Å; P232-R236 WeakPolarHBondContact O-CG 3.34Å; P232-R236 PolarHBondContact O-NE 3.08Å
233	A	93.6	Very high	95.6	Very high	21 Å²	21	44.9 Å²	44.9	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-41.2	172.3	0	0	0	0	0	111.9	D231 Q235 R236 E237	D231-A233 PolarHBondContact O-N 3.45Å; D231-A233 VanDerWaalsContact O-N 3.12Å; D231-A233 VanDerWaalsContact OD1-CB 3.28Å; D231-A233 WeakPolarHBondContact OD1-CB 3.41Å; D231-A233 PolarHBondContact OD1-N 3.03Å; A233-Q235 PolarHBondContact O-N 3.17Å; A233-R236 PolarHBondContact O-N 2.86Å; A233-E237 WeakPolarHBondContact O-CG 3.25Å; A233-E237 PolarHBondContact O-N 2.99Å
234	T	94.4	Very high	95.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.3	-46.8	-177.1	-58.8	0	0	0	0	112.2	R204 Y228 D231 R236 E237 E238 F240	R204-T234 PolarHBondContact NH1-OG1 3.04Å; Y228-T234 HydrophobicContact CD1-CG2 4.31Å; Y228-T234 HydrophobicContact CD2-CG2 3.92Å; Y228-T234 WeakPolarHBondContact CD2-OG1 3.46Å; Y228-T234 HydrophobicContact CE1-CG2 3.84Å; Y228-T234 HydrophobicContact CE2-CG2 3.4Å; Y228-T234 HydrophobicContact CG-CG2 4.34Å; Y228-T234 WeakPolarHBondContact O-CB 3.41Å; Y228-T234 PolarHBondContact O-OG1 3.14Å; D231-T234 WeakPolarHBondContact O-CB 3.29Å; D231-T234 PolarHBondContact O-N 3.36Å; D231-T234 VanDerWaalsContact O-N 3.08Å; T234-R236 VanDerWaalsContact C-N 3.27Å; T234-R236 PolarHBondContact O-N 3.31Å; T234-E237 PolarHBondContact O-N 3.41Å; T234-E238 PolarHBondContact O-N 3.4Å; T234-F240 HydrophobicContact CG2-CD1 4.3Å; T234-F240 HydrophobicContact CG2-CE1 3.86Å
235	Q	89.4	Confident	95.6	Very high	90 Å²	90	41.5 Å²	41.5	42%	0.421	21%	0.207	S	C	.	.	H	α-helix	trans	-72.2	-16.8	178.9	-68.2	-174.8	-26.4	0	0	114.2	A233 F240 L318	A233-Q235 PolarHBondContact O-N 3.17Å; Q235-F240 HydrophobicContact CG-CE1 3.72Å; Q235-F240 HydrophobicContact CG-CE2 4.29Å; Q235-F240 HydrophobicContact CG-CZ 3.59Å; Q235-F240 VanDerWaalsContact NE2-CE2 3.28Å; Q235-L318 VanDerWaalsContact NE2-CD1 3.29Å
236	R	93.1	Very high	95.6	Very high	194 Å²	194	43.6 Å²	43.6	73%	0.732	22%	0.215	S	C	*	.	H	α-helix	trans	-84.7	-22	175.1	-77.1	178.8	-73.3	153.2	-1.8	112.8	P232 A233 T234	P232-R236 WeakPolarHBondContact O-CG 3.34Å; P232-R236 PolarHBondContact O-NE 3.08Å; A233-R236 PolarHBondContact O-N 2.86Å; T234-R236 VanDerWaalsContact C-N 3.27Å; T234-R236 PolarHBondContact O-N 3.31Å
237	E	92.7	Very high	95.7	Very high	98 Å²	98	43.7 Å²	43.7	46%	0.458	22%	0.216	S	C	.	.	H	α-helix	trans	-86.4	-48.6	-178.2	-72.2	166.7	-176.7	0	0	112.8	K200 R204 A233 T234	K200-E237 WeakPolarHBondContact CE-OE2 3.43Å; K200-E237 IonicContact NZ-OE2 3.49Å; K200-E237 PolarHBondContact NZ-OE2 3.24Å; R204-E237 IonicContact CZ-OE1 3.04Å; R204-E237 IonicContact CZ-OE2 3.03Å; R204-E237 IonicContact NH1-OE1 3.41Å; R204-E237 PolarHBondContact NH1-OE1 2.72Å; R204-E237 IonicContact NH1-OE2 2.95Å; R204-E237 PolarHBondContact NH1-OE2 3.36Å; R204-E237 IonicContact NH2-OE1 2.92Å; R204-E237 PolarHBondContact NH2-OE1 3.48Å; R204-E237 IonicContact NH2-OE2 2.67Å; R204-E237 PolarHBondContact NH2-OE2 3.48Å; A233-E237 WeakPolarHBondContact O-CG 3.25Å; A233-E237 PolarHBondContact O-N 2.99Å; T234-E237 PolarHBondContact O-N 3.41Å
238	E	92.1	Very high	95.7	Very high	43 Å²	43	43.7 Å²	43.7	20%	0.201	22%	0.217	C	C	.	.	S	Bend	trans	-152.7	152.6	-179.9	63.2	-169.7	133.8	0	0	110.6	R196 K200 T234	R196-E238 IonicContact CZ-OE2 3.41Å; R196-E238 IonicContact NE-OE2 3.27Å; R196-E238 IonicContact NH2-OE2 3.58Å; R196-E238 PolarHBondContact NH2-OE2 3.08Å; K200-E238 IonicContact NZ-OE1 2.77Å; K200-E238 PolarHBondContact NZ-OE1 3.24Å; T234-E238 PolarHBondContact O-N 3.4Å
239	P	93.1	Very high	95.6	Very high	113 Å²	113	45.3 Å²	45.3	73%	0.734	23%	0.229	S	C	*	.	P	Polyproline II helix	trans	-54.9	152.4	165.1	-23.1	34.2	0	0	0	111.2
240	F	96.6	Very high	95.6	Very high	15 Å²	15	46 Å²	46	7%	0.066	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-64.5	151.1	176.8	-70.5	-32.6	0	0	0	111.7	L229 T234 Q235 W244 E245 L318	L229-F240 HydrophobicContact CD2-CD1 4.45Å; L229-F240 HydrophobicContact CD2-CE1 4.14Å; L229-F240 HydrophobicContact CD2-CZ 4.28Å; L229-F240 WeakPolarHBondContact O-CZ 3.45Å; T234-F240 HydrophobicContact CG2-CD1 4.3Å; T234-F240 HydrophobicContact CG2-CE1 3.86Å; Q235-F240 HydrophobicContact CG-CE1 3.72Å; Q235-F240 HydrophobicContact CG-CE2 4.29Å; Q235-F240 HydrophobicContact CG-CZ 3.59Å; Q235-F240 VanDerWaalsContact NE2-CE2 3.28Å; F240-W244 AromaticContact CD1-NE1 3.85Å; F240-W244 AromaticContact CG-CD1 3.79Å; F240-W244 AromaticContact CG-NE1 3.96Å; F240-E245 HydrophobicContact CB-CB 4.13Å; F240-L318 HydrophobicContact CE2-CD1 4.03Å; F240-L318 HydrophobicContact CE2-CD2 3.9Å; F240-L318 HydrophobicContact CE2-CG 4.38Å; F240-L318 HydrophobicContact CZ-CD1 4.44Å; F240-L318 HydrophobicContact CZ-CD2 3.99Å
241	N	97.5	Very high	95.6	Very high	28 Å²	28	45.2 Å²	45.2	15%	0.15	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-63.4	137.7	168.1	-171.5	-84.9	0	0	0	109.7	Y197 H243 W244 E245	Y197-N241 HydrophobicContact CE2-CB 4.49Å; Y197-N241 PolarHBondContact OH-ND2 3.37Å; N241-H243 PolarHBondContact O-N 3.09Å; N241-H243 WeakPolarHBondContact OD1-CB 3.37Å; N241-H243 PolarHBondContact OD1-CD2 3.11Å; N241-H243 VanDerWaalsContact OD1-CG 3.28Å; N241-H243 PolarHBondContact OD1-N 3.43Å; N241-H243 VanDerWaalsContact OD1-N 3.11Å; N241-W244 HydrophobicContact CB-CD2 3.92Å; N241-W244 HydrophobicContact CB-CE3 4.11Å; N241-W244 HydrophobicContact CB-CH2 3.58Å; N241-W244 HydrophobicContact CB-CZ2 3.34Å; N241-W244 HydrophobicContact CB-CZ3 3.95Å; N241-W244 PolarHBondContact O-N 3.01Å; N241-E245 PolarHBondContact O-N 3.22Å
242	E	97.3	Very high	95.7	Very high	55 Å²	55	44.8 Å²	44.8	26%	0.257	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-27.3	179.3	53.1	148.9	-179	0	0	114.7	H93 Y106 P108 R176 W244 L250	H93-E242 IonicContact CE1-OE2 2.73Å; H93-E242 PolarHBondContact CE1-OE2 3.43Å; Y106-E242 WeakPolarHBondContact CE2-OE2 3.4Å; P108-E242 HydrophobicContact CG-CB 4.04Å; P108-E242 HydrophobicContact CG-CG 4.13Å; P108-E242 WeakPolarHBondContact CG-O 3.47Å; P108-E242 WeakPolarHBondContact CG-OE2 3.39Å; R176-E242 PolarHBondContact NH2-O 2.96Å; E242-W244 VanDerWaalsContact C-N 3.31Å; E242-W244 PolarHBondContact O-N 3.14Å; E242-L250 HydrophobicContact CB-CD2 4.37Å
243	H	97.6	Very high	95.9	Very high	19 Å²	19	41.6 Å²	41.6	9%	0.088	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.2	179.5	-61.5	-28.7	0	0	0	114.6	P108 R176 A180 K184 F193 N241	P108-H243 VanDerWaalsContact CB-ND1 3.33Å; P108-H243 WeakPolarHBondContact CB-ND1 3.23Å; R176-H243 PolarHBondContact NH2-O 2.92Å; A180-H243 HydrophobicContact CB-CB 4.38Å; A180-H243 WeakPolarHBondContact CB-O 3.45Å; K184-H243 WeakPolarHBondContact CE-CD2 3.35Å; K184-H243 WeakPolarHBondContact CE-NE2 3.48Å; K184-H243 PolarHBondContact NZ-NE2 3.42Å; F193-H243 AromaticContact CE1-CD2 3.75Å; F193-H243 AromaticContact CZ-CD2 3.64Å; F193-H243 AromaticContact CZ-NE2 3.76Å; N241-H243 PolarHBondContact O-N 3.09Å; N241-H243 WeakPolarHBondContact OD1-CB 3.37Å; N241-H243 PolarHBondContact OD1-CD2 3.11Å; N241-H243 VanDerWaalsContact OD1-CG 3.28Å; N241-H243 PolarHBondContact OD1-N 3.43Å; N241-H243 VanDerWaalsContact OD1-N 3.11Å
244	W	97.9	Very high	96	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	0.1	175.2	55.6	81.8	0	0	0	113.5	L177 F185 F193 Y197 F225 Y228 L229 F240 N241 E242 Y319	L177-W244 HydrophobicContact CD1-CB 3.78Å; F185-W244 HydrophobicContact CE2-CZ3 4.34Å; F185-W244 HydrophobicContact CZ-CH2 4.5Å; F193-W244 HydrophobicContact CD1-CH2 4.44Å; F193-W244 HydrophobicContact CD1-CZ3 4.34Å; F193-W244 HydrophobicContact CE1-CH2 4.37Å; F193-W244 HydrophobicContact CE1-CZ3 4.2Å; Y197-W244 AromaticContact CD1-CH2 3.92Å; Y197-W244 HydrophobicContact CD1-CH2 3.92Å; Y197-W244 AromaticContact CD1-CZ2 3.79Å; Y197-W244 HydrophobicContact CD1-CZ2 3.79Å; Y197-W244 AromaticContact CD2-CH2 3.66Å; Y197-W244 HydrophobicContact CD2-CH2 3.66Å; Y197-W244 HydrophobicContact CD2-CZ2 4.34Å; Y197-W244 HydrophobicContact CE1-CH2 4.07Å; Y197-W244 AromaticContact CE1-CZ2 3.78Å; Y197-W244 HydrophobicContact CE1-CZ2 3.78Å; Y197-W244 AromaticContact CE2-CH2 3.79Å; Y197-W244 HydrophobicContact CE2-CH2 3.79Å; Y197-W244 HydrophobicContact CE2-CZ2 4.3Å; Y197-W244 AromaticContact CG-CH2 3.71Å; Y197-W244 HydrophobicContact CG-CH2 3.71Å; Y197-W244 HydrophobicContact CG-CZ2 4.07Å; Y197-W244 AromaticContact CZ-CH2 3.99Å; F225-W244 HydrophobicContact CE2-CD2 4.01Å; F225-W244 HydrophobicContact CE2-CE3 4.03Å; F225-W244 HydrophobicContact CE2-CG 4.42Å; F225-W244 HydrophobicContact CE2-CZ3 4.37Å; F225-W244 HydrophobicContact CZ-CB 4.06Å; F225-W244 AromaticContact CZ-CD2 3.92Å; F225-W244 HydrophobicContact CZ-CD2 3.92Å; F225-W244 AromaticContact CZ-CE3 3.87Å; F225-W244 HydrophobicContact CZ-CE3 3.87Å; F225-W244 HydrophobicContact CZ-CG 4.05Å; Y228-W244 HydrophobicContact CE1-CZ2 4.22Å; L229-W244 HydrophobicContact CD2-CB 4.29Å; L229-W244 HydrophobicContact CD2-CG 3.79Å; F240-W244 AromaticContact CD1-NE1 3.85Å; F240-W244 AromaticContact CG-CD1 3.79Å; F240-W244 AromaticContact CG-NE1 3.96Å; N241-W244 HydrophobicContact CB-CD2 3.92Å; N241-W244 HydrophobicContact CB-CE3 4.11Å; N241-W244 HydrophobicContact CB-CH2 3.58Å; N241-W244 HydrophobicContact CB-CZ2 3.34Å; N241-W244 HydrophobicContact CB-CZ3 3.95Å; N241-W244 PolarHBondContact O-N 3.01Å; E242-W244 VanDerWaalsContact C-N 3.31Å; E242-W244 PolarHBondContact O-N 3.14Å; W244-Y319 WeakPolarHBondContact O-CE1 3.33Å; W244-Y319 PolarHBondContact O-OH 3.12Å
245	E	97.9	Very high	96	Very high	19 Å²	19	44.7 Å²	44.7	9%	0.089	22%	0.219	C	C	.	.	S	Bend	trans	-58.2	153.5	166.1	-170.6	46.8	-81.6	0	0	110.8	R176 F240 N241 S249 L250	R176-E245 PolarHBondContact NH1-O 2.9Å; R176-E245 PolarHBondContact NH2-O 2.86Å; F240-E245 HydrophobicContact CB-CB 4.13Å; N241-E245 PolarHBondContact O-N 3.22Å; E245-S249 WeakPolarHBondContact OE1-CB 3.46Å; E245-L250 HydrophobicContact CB-CD1 4.4Å; E245-L250 HydrophobicContact CB-CD2 3.83Å; E245-L250 HydrophobicContact CB-CG 4.1Å; E245-L250 HydrophobicContact CG-CD2 3.53Å; E245-L250 HydrophobicContact CG-CG 3.89Å
246	R	98.1	Very high	96.3	Very high	44 Å²	44	40.7 Å²	40.7	17%	0.166	20%	0.201	C	C	.	.			trans	-77.1	142.1	-177.7	-61.9	139.2	-66.4	-163.7	-5.2	109.8	H248 S249 L250 L318 Y319 D322	R246-H248 VanDerWaalsContact C-N 3.34Å; R246-H248 WeakPolarHBondContact CB-CE1 3.22Å; R246-H248 PolarHBondContact O-N 3.31Å; R246-S249 WeakPolarHBondContact O-CA 3.16Å; R246-S249 WeakPolarHBondContact O-CB 3.22Å; R246-S249 PolarHBondContact O-N 3.15Å; R246-L250 PolarHBondContact O-N 3.14Å; R246-L250 VanDerWaalsContact O-N 3.08Å; R246-L318 WeakPolarHBondContact CD-O 3.47Å; R246-Y319 HydrophobicContact CB-CD1 4.36Å; R246-Y319 HydrophobicContact CG-CD1 3.56Å; R246-Y319 HydrophobicContact CG-CE1 3.7Å; R246-Y319 HydrophobicContact CG-CG 4.38Å; R246-D322 VanDerWaalsContact CA-OD2 3.3Å; R246-D322 WeakPolarHBondContact CA-OD2 3.47Å; R246-D322 WeakPolarHBondContact CB-OD2 3.25Å
247	V	98.4	Very high	96.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-43.6	-175	-178.5	0	0	0	0	111.6	V107 L168 V170 S249 L250 C251 D322 F326	V107-V247 HydrophobicContact CG1-CG1 4.35Å; V107-V247 HydrophobicContact CG1-CG2 3.79Å; V107-V247 HydrophobicContact CG2-CG1 3.89Å; L168-V247 HydrophobicContact CD1-CG1 3.99Å; V170-V247 HydrophobicContact CG1-CG1 3.78Å; V247-S249 PolarHBondContact O-N 2.83Å; V247-L250 PolarHBondContact O-N 3.32Å; V247-L250 VanDerWaalsContact O-N 3.15Å; V247-C251 PolarHBondContact O-N 2.83Å; V247-D322 VanDerWaalsContact N-CG 3.29Å; V247-D322 PolarHBondContact N-OD1 3.14Å; V247-D322 VanDerWaalsContact N-OD1 3.08Å; V247-D322 PolarHBondContact N-OD2 3.42Å; V247-F326 HydrophobicContact CB-CE2 3.77Å; V247-F326 HydrophobicContact CB-CZ 4.44Å; V247-F326 HydrophobicContact CG1-CD2 4.46Å; V247-F326 HydrophobicContact CG1-CE2 3.57Å; V247-F326 HydrophobicContact CG1-CZ 3.78Å
248	H	97.1	Very high	96.7	Very high	40 Å²	40	30.7 Å²	30.7	19%	0.185	16%	0.162	C	C	.	.	H	α-helix	trans	-65.1	-21.3	175.6	73.3	-84	0	0	0	113.9	R246 H252 P253 M321 D322 L325	R246-H248 VanDerWaalsContact C-N 3.34Å; R246-H248 WeakPolarHBondContact CB-CE1 3.22Å; R246-H248 PolarHBondContact O-N 3.31Å; H248-H252 WeakPolarHBondContact O-CA 3.43Å; H248-H252 PolarHBondContact O-N 3.38Å; H248-P253 HydrophobicContact CB-CG 4.21Å; H248-M321 VanDerWaalsContact CE1-CB 3.49Å; H248-M321 WeakPolarHBondContact CE1-CB 3.43Å; H248-D322 IonicContact CE1-OD1 3.41Å; H248-D322 IonicContact CG-OD1 3.15Å; H248-D322 PolarHBondContact N-OD1 3.11Å; H248-D322 IonicContact ND1-OD1 3.76Å; H248-D322 PolarHBondContact ND1-OD1 3.35Å; H248-L325 HydrophobicContact CB-CD1 3.47Å; H248-L325 VanDerWaalsContact CB-CD1 3.47Å
249	S	96.3	Very high	97	Very high	37 Å²	37	28.7 Å²	28.7	26%	0.259	15%	0.152	S	C	.	.	H	α-helix	trans	-85.7	-22.9	175.6	-64.4	0	0	0	0	112.8	E245 R246 V247 H252	E245-S249 WeakPolarHBondContact OE1-CB 3.46Å; R246-S249 WeakPolarHBondContact O-CA 3.16Å; R246-S249 WeakPolarHBondContact O-CB 3.22Å; R246-S249 PolarHBondContact O-N 3.15Å; V247-S249 PolarHBondContact O-N 2.83Å; S249-H252 PolarHBondContact O-CE1 2.91Å; S249-H252 PolarHBondContact O-NE2 3.31Å
250	L	98	Very high	97.2	Very high	14 Å²	14	23.3 Å²	23.3	7%	0.073	12%	0.117	C	C	.	.	H	α-helix	trans	-87.5	-38.1	174.6	-64.7	180	0	0	0	113.4	E242 E245 R246 V247	E242-L250 HydrophobicContact CB-CD2 4.37Å; E245-L250 HydrophobicContact CB-CD1 4.4Å; E245-L250 HydrophobicContact CB-CD2 3.83Å; E245-L250 HydrophobicContact CB-CG 4.1Å; E245-L250 HydrophobicContact CG-CD2 3.53Å; E245-L250 HydrophobicContact CG-CG 3.89Å; R246-L250 PolarHBondContact O-N 3.14Å; R246-L250 VanDerWaalsContact O-N 3.08Å; V247-L250 PolarHBondContact O-N 3.32Å; V247-L250 VanDerWaalsContact O-N 3.15Å
251	C	98.2	Very high	97.3	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-110.5	-7.8	-170.4	-67	0	0	0	0	114.6	C105 L168 V247 Y258	C105-C251 HydrophobicContact CB-CB 3.9Å; C105-C251 WeakPolarHBondContact CB-SG 3.39Å; C105-C251 WeakPolarHBondContact SG-CA 3.45Å; C105-C251 WeakPolarHBondContact SG-CB 3.44Å; C105-C251 CovalentContact SG-SG 2.04Å; C105-C251 PolarHBondContact SG-SG 3.07Å; L168-C251 HydrophobicContact CD1-CB 3.98Å; V247-C251 PolarHBondContact O-N 2.83Å; C251-Y258 HydrophobicContact CB-CE2 4.31Å; C251-Y258 VanDerWaalsContact O-CE2 3.27Å; C251-Y258 WeakPolarHBondContact O-CE2 3.47Å; C251-Y258 PolarHBondContact O-OH 2.87Å
252	H	97.1	Very high	97.4	Very high	31 Å²	31	21.4 Å²	21.4	14%	0.144	11%	0.108	C	C	.	.			trans	44.4	52.3	178.2	-50.4	-66.9	0	0	0	115.3	L86 D90 H248 S249 C254 L255 I256	L86-H252 HydrophobicContact CD2-CB 4.44Å; D90-H252 VanDerWaalsContact CB-CD2 3.48Å; D90-H252 WeakPolarHBondContact CB-CD2 3.49Å; D90-H252 PolarHBondContact O-CD2 2.9Å; D90-H252 IonicContact OD1-CE1 3.71Å; D90-H252 IonicContact OD1-NE2 3.63Å; D90-H252 PolarHBondContact OD1-NE2 3.47Å; H248-H252 WeakPolarHBondContact O-CA 3.43Å; H248-H252 PolarHBondContact O-N 3.38Å; S249-H252 PolarHBondContact O-CE1 2.91Å; S249-H252 PolarHBondContact O-NE2 3.31Å; H252-C254 PolarHBondContact O-N 2.94Å; H252-L255 HydrophobicContact CB-CB 4.23Å; H252-L255 HydrophobicContact CB-CD1 4.27Å; H252-L255 HydrophobicContact CB-CG 4.45Å; H252-L255 PolarHBondContact O-N 3.01Å; H252-I256 PolarHBondContact O-N 3.29Å
253	P	97	Very high	97.4	Very high	10 Å²	10	20.3 Å²	20.3	7%	0.065	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.1	-172	30.2	-38.9	0	0	0	115	L72 H248 I256 Y258 L325 F326	L72-P253 HydrophobicContact CD1-CB 3.94Å; L72-P253 HydrophobicContact CD1-CG 4.22Å; L72-P253 HydrophobicContact CD2-CB 3.93Å; L72-P253 HydrophobicContact CG-CB 4.32Å; H248-P253 HydrophobicContact CB-CG 4.21Å; P253-I256 CarbonylContact C-O 3.52Å; P253-I256 WeakPolarHBondContact CA-O 3.37Å; P253-Y258 HydrophobicContact CB-CD2 4.06Å; P253-Y258 HydrophobicContact CB-CE2 4.17Å; P253-L325 HydrophobicContact CG-CD1 4.32Å; P253-F326 HydrophobicContact CG-CZ 4.02Å
254	C	95.8	Very high	97.3	Very high	32 Å²	32	20.6 Å²	20.6	22%	0.216	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2	173.3	-51.2	0	0	0	0	113.8	C76 T80 H252	C76-C254 WeakPolarHBondContact CA-SG 3.33Å; C76-C254 HydrophobicContact CB-CB 3.61Å; C76-C254 WeakPolarHBondContact CB-SG 3.3Å; C76-C254 WeakPolarHBondContact SG-CA 3.24Å; C76-C254 WeakPolarHBondContact SG-CB 3.39Å; C76-C254 CovalentContact SG-SG 2.04Å; C76-C254 PolarHBondContact SG-SG 3.41Å; T80-C254 HydrophobicContact CG2-CB 4.06Å; T80-C254 WeakPolarHBondContact OG1-CB 3.47Å; H252-C254 PolarHBondContact O-N 2.94Å
255	L	95.1	Very high	97	Very high	53 Å²	53	24.2 Å²	24.2	28%	0.277	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-26.7	171.7	-57.6	-179.4	0	0	0	111.6	R84 L86 H252	R84-L255 HydrophobicContact CG-CD1 3.85Å; L86-L255 HydrophobicContact CD1-CB 4.45Å; L86-L255 HydrophobicContact CD2-CB 3.81Å; L86-L255 HydrophobicContact CD2-CD1 3.82Å; L86-L255 HydrophobicContact CD2-CG 4.48Å; L86-L255 HydrophobicContact CG-CB 4.17Å; L86-L255 HydrophobicContact CG-CD1 4.45Å; H252-L255 HydrophobicContact CB-CB 4.23Å; H252-L255 HydrophobicContact CB-CD1 4.27Å; H252-L255 HydrophobicContact CB-CG 4.45Å; H252-L255 PolarHBondContact O-N 3.01Å
256	I	96.3	Very high	96.9	Very high	7 Å²	7	25.6 Å²	25.6	4%	0.036	13%	0.13	C	C	.	.	S	Bend	trans	-117.3	114.2	178.7	-58	177.8	0	0	0	108	L86 L91 I94 L161 K166 H252 P253 Y258	L86-I256 HydrophobicContact CD1-CD1 4.14Å; L86-I256 HydrophobicContact CD1-CG1 3.65Å; L86-I256 HydrophobicContact CD2-CD1 4.22Å; L86-I256 HydrophobicContact CD2-CG1 4.15Å; L91-I256 HydrophobicContact CD2-CD1 3.8Å; I94-I256 HydrophobicContact CD1-CD1 3.42Å; I94-I256 VanDerWaalsContact CD1-CD1 3.42Å; L161-I256 HydrophobicContact CD2-CG2 4.29Å; K166-I256 HydrophobicContact CD-CG2 4.4Å; H252-I256 PolarHBondContact O-N 3.29Å; P253-I256 CarbonylContact C-O 3.52Å; P253-I256 WeakPolarHBondContact CA-O 3.37Å; I256-Y258 HydrophobicContact CB-CD2 4.45Å; I256-Y258 HydrophobicContact CB-CE2 3.84Å; I256-Y258 HydrophobicContact CG2-CD2 4.25Å; I256-Y258 HydrophobicContact CG2-CE1 4.36Å; I256-Y258 HydrophobicContact CG2-CE2 3.79Å; I256-Y258 WeakPolarHBondContact O-CD2 3.03Å; I256-Y258 WeakPolarHBondContact O-CE2 3.25Å; I256-Y258 PolarHBondContact O-N 2.93Å
257	H	95.6	Very high	96.7	Very high	77 Å²	77	24.2 Å²	24.2	36%	0.356	13%	0.126	S	C	.	.			trans	-69.5	117.9	172.5	175.5	93.9	0	0	0	108.8	E73 K166 D259	E73-H257 IonicContact OE1-CE1 3.1Å; E73-H257 PolarHBondContact OE1-CE1 3.2Å; E73-H257 IonicContact OE1-ND1 3.91Å; E73-H257 PolarHBondContact OE1-ND1 2.66Å; K166-H257 VanDerWaalsContact CD-O 3.31Å; K166-H257 WeakPolarHBondContact CD-O 3.49Å; K166-H257 WeakPolarHBondContact CE-O 3.34Å; H257-D259 IonicContact CD2-OD1 4Å; H257-D259 PolarHBondContact CD2-OD1 2.85Å; H257-D259 IonicContact NE2-OD1 3.95Å
258	Y	98.3	Very high	96.5	Very high	4 Å²	4	29 Å²	29	2%	0.016	15%	0.148	C	C	.	.			trans	-97.4	125.2	176.3	-74.2	-87	0	0	0	109.7	R69 C105 K166 L168 C251 P253 I256	R69-Y258 WeakPolarHBondContact CD-O 3.04Å; C105-Y258 HydrophobicContact CB-CE1 3.78Å; C105-Y258 VanDerWaalsContact CB-OH 3.31Å; C105-Y258 WeakPolarHBondContact CB-OH 3.48Å; K166-Y258 HydrophobicContact CB-CD1 4.06Å; L168-Y258 HydrophobicContact CB-CD1 4.22Å; L168-Y258 HydrophobicContact CB-CE1 4.13Å; L168-Y258 HydrophobicContact CD2-CD1 3.64Å; L168-Y258 HydrophobicContact CD2-CD2 3.82Å; L168-Y258 HydrophobicContact CD2-CE1 4.18Å; L168-Y258 HydrophobicContact CD2-CE2 4.34Å; L168-Y258 HydrophobicContact CD2-CG 3.44Å; L168-Y258 VanDerWaalsContact CD2-CG 3.44Å; C251-Y258 HydrophobicContact CB-CE2 4.31Å; C251-Y258 VanDerWaalsContact O-CE2 3.27Å; C251-Y258 WeakPolarHBondContact O-CE2 3.47Å; C251-Y258 PolarHBondContact O-OH 2.87Å; P253-Y258 HydrophobicContact CB-CD2 4.06Å; P253-Y258 HydrophobicContact CB-CE2 4.17Å; I256-Y258 HydrophobicContact CB-CD2 4.45Å; I256-Y258 HydrophobicContact CB-CE2 3.84Å; I256-Y258 HydrophobicContact CG2-CD2 4.25Å; I256-Y258 HydrophobicContact CG2-CE1 4.36Å; I256-Y258 HydrophobicContact CG2-CE2 3.79Å; I256-Y258 WeakPolarHBondContact O-CD2 3.03Å; I256-Y258 WeakPolarHBondContact O-CE2 3.25Å; I256-Y258 PolarHBondContact O-N 2.93Å
259	D	98	Very high	96.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.158	C	C	.	.	S	Bend	trans	-75	-32.4	-176	-47.7	-56.6	0	0	0	110.8	L48 L51 R69 L165 K166 H257	L48-D259 HydrophobicContact CD1-CB 4.18Å; L48-D259 VanDerWaalsContact CD1-CG 3.41Å; L48-D259 WeakPolarHBondContact CD1-OD1 3.35Å; L48-D259 WeakPolarHBondContact CD1-OD2 3.42Å; L51-D259 HydrophobicContact CD2-CB 3.65Å; R69-D259 PolarHBondContact NH1-O 3.18Å; L165-D259 WeakPolarHBondContact CA-OD2 3.47Å; L165-D259 HydrophobicContact CD1-CB 3.64Å; L165-D259 HydrophobicContact CG-CB 4.48Å; K166-D259 VanDerWaalsContact CE-OD2 3.27Å; K166-D259 WeakPolarHBondContact CE-OD2 3.42Å; K166-D259 PolarHBondContact N-OD2 3.39Å; K166-D259 VanDerWaalsContact NZ-CG 3.34Å; K166-D259 IonicContact NZ-OD1 2.66Å; K166-D259 PolarHBondContact NZ-OD1 2.89Å; K166-D259 IonicContact NZ-OD2 3.3Å; K166-D259 PolarHBondContact NZ-OD2 2.59Å; K166-D259 PolarHBondContact O-N 3.19Å; H257-D259 IonicContact CD2-OD1 4Å; H257-D259 PolarHBondContact CD2-OD1 2.85Å; H257-D259 IonicContact NE2-OD1 3.95Å
260	V	98.1	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.5	175.9	-176.2	0	0	0	0	111.6	L165 K166 F167 L168 Y273 V274 L277	L165-V260 HydrophobicContact CD1-CG2 4.36Å; K166-V260 PolarHBondContact O-N 2.81Å; F167-V260 VanDerWaalsContact CA-O 3.29Å; F167-V260 WeakPolarHBondContact CA-O 3.2Å; F167-V260 HydrophobicContact CB-CB 3.92Å; F167-V260 WeakPolarHBondContact CB-O 3.24Å; L168-V260 PolarHBondContact N-O 3.08Å; V260-Y273 HydrophobicContact CG1-CD1 4.23Å; V260-Y273 HydrophobicContact CG1-CE1 4.47Å; V260-Y273 HydrophobicContact CG2-CD1 4.37Å; V260-Y273 HydrophobicContact CG2-CE1 4.02Å; V260-V274 HydrophobicContact CB-CG2 4.27Å; V260-V274 HydrophobicContact CG1-CG2 3.76Å; V260-L277 HydrophobicContact CG2-CD1 3.9Å
261	V	98.6	Very high	96.3	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	102.4	170.2	-174.7	0	0	0	0	109.1	H65 R68 L72 L168 V170 F326	H65-V261 PolarHBondContact CE1-O 2.72Å; H65-V261 PolarHBondContact ND1-O 2.9Å; H65-V261 VanDerWaalsContact ND1-O 3.1Å; R68-V261 HydrophobicContact CB-CB 4.2Å; R68-V261 VanDerWaalsContact CD-O 3.25Å; R68-V261 WeakPolarHBondContact CD-O 3.33Å; R68-V261 PolarHBondContact NH1-O 2.04Å; L72-V261 HydrophobicContact CD2-CG2 3.71Å; L168-V261 HydrophobicContact CD2-CG1 4.4Å; L168-V261 HydrophobicContact CD2-CG2 4.12Å; V170-V261 HydrophobicContact CG2-CG1 4.2Å; V261-F326 HydrophobicContact CG1-CD1 4.03Å; V261-F326 HydrophobicContact CG1-CE1 4.36Å
262	G	98.1	Very high	96.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	147.8	176.2	0	0	0	0	0	112.6	L168 F169 V170 D270	L168-G262 PolarHBondContact O-N 3Å; F169-G262 CarbonylContact C-O 3.55Å; F169-G262 WeakPolarHBondContact CA-O 3.48Å; V170-G262 WeakPolarHBondContact CG2-O 3.37Å; V170-G262 PolarHBondContact N-O 3.04Å; G262-D270 WeakPolarHBondContact CA-OD2 3.07Å
263	K	97.4	Very high	96.1	Very high	32 Å²	32	32.3 Å²	32.3	14%	0.139	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	141.6	175.5	-80.6	-155	175.2	-160.2	0	110.8	V170 E265 T266 L267 D270 F326 N327 Y328	V170-K263 HydrophobicContact CG2-CG 4.1Å; V170-K263 CarbonylContact O-C 3.43Å; V170-K263 WeakPolarHBondContact O-CA 3.33Å; K263-E265 WeakPolarHBondContact CB-OE2 3.28Å; K263-E265 PolarHBondContact O-N 2.88Å; K263-T266 CarbonylContact O-C 3.56Å; K263-T266 PolarHBondContact O-N 2.89Å; K263-L267 WeakPolarHBondContact O-CA 3.37Å; K263-L267 PolarHBondContact O-N 3.36Å; K263-D270 PolarHBondContact N-OD2 3.3Å; K263-F326 WeakPolarHBondContact CE-O 3.43Å; K263-F326 PolarHBondContact NZ-O 3.44Å; K263-N327 PolarHBondContact NZ-O 3.19Å; K263-Y328 HydrophobicContact CD-CE1 4.13Å; K263-Y328 WeakPolarHBondContact CD-OH 2.92Å
264	Y	95.1	Very high	96.1	Very high	25 Å²	25	31.8 Å²	31.8	10%	0.098	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.3	-26	179.3	-168.9	-101.3	0	0	0	112.4	V110 A111 V170 R171 L267 R294	V110-Y264 HydrophobicContact CG1-CD2 3.98Å; V110-Y264 HydrophobicContact CG1-CG 4.4Å; A111-Y264 HydrophobicContact CB-CD2 4.39Å; A111-Y264 HydrophobicContact CB-CE2 4.03Å; V170-Y264 PolarHBondContact O-N 3.05Å; R171-Y264 HydrophobicContact CB-CG 4.4Å; R171-Y264 HydrophobicContact CG-CD1 4.17Å; R171-Y264 HydrophobicContact CG-CG 4.12Å; R171-Y264 VanDerWaalsContact NH1-CE1 3.31Å; Y264-L267 HydrophobicContact CD2-CD2 4.07Å; Y264-L267 HydrophobicContact CE2-CD2 3.97Å; Y264-L267 WeakPolarHBondContact O-CB 3.31Å; Y264-R294 HydrophobicContact CE1-CG 4.05Å
265	E	93.6	Very high	96.2	Very high	75 Å²	75	30.5 Å²	30.5	35%	0.35	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-73.2	-28.4	178.6	-57.7	73.8	-161	0	0	111.8	E172 K263 Y328	E172-E265 PolarHBondContact N-OE1 2.88Å; K263-E265 WeakPolarHBondContact CB-OE2 3.28Å; K263-E265 PolarHBondContact O-N 2.88Å; E265-Y328 PolarHBondContact OE2-OH 3.41Å
266	T	94.8	Very high	96.2	Very high	49 Å²	49	31 Å²	31	30%	0.301	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-114	20.6	175	58.1	0	0	0	0	112.8	R68 K263 E268 Q269 D270	R68-T266 PolarHBondContact NH2-OG1 3.08Å; K263-T266 CarbonylContact O-C 3.56Å; K263-T266 PolarHBondContact O-N 2.89Å; T266-E268 VanDerWaalsContact C-N 3.31Å; T266-E268 PolarHBondContact O-N 2.94Å; T266-Q269 PolarHBondContact O-N 3.37Å; T266-D270 WeakPolarHBondContact CB-OD1 3.41Å; T266-D270 PolarHBondContact O-N 3.42Å; T266-D270 VanDerWaalsContact O-N 3.08Å; T266-D270 VanDerWaalsContact O-OD1 3.12Å; T266-D270 PolarHBondContact OG1-OD1 2.67Å; T266-D270 PolarHBondContact OG1-OD2 2.94Å
267	L	94.1	Very high	96.1	Very high	14 Å²	14	30.8 Å²	30.8	7%	0.073	14%	0.142	C	C	.	.	H	α-helix	trans	-46.5	-44.7	-167	178.5	63.9	0	0	0	114.9	A111 F169 K263 Y264 S271 F286	A111-L267 HydrophobicContact CB-CD1 4.06Å; A111-L267 HydrophobicContact CB-CD2 3.61Å; A111-L267 HydrophobicContact CB-CG 4.5Å; F169-L267 HydrophobicContact CD1-CD1 3.53Å; F169-L267 HydrophobicContact CE1-CD1 3.62Å; F169-L267 HydrophobicContact CG-CD1 4.46Å; K263-L267 WeakPolarHBondContact O-CA 3.37Å; K263-L267 PolarHBondContact O-N 3.36Å; Y264-L267 HydrophobicContact CD2-CD2 4.07Å; Y264-L267 HydrophobicContact CE2-CD2 3.97Å; Y264-L267 WeakPolarHBondContact O-CB 3.31Å; L267-S271 WeakPolarHBondContact O-CB 3.12Å; L267-S271 PolarHBondContact O-N 3.24Å; L267-S271 PolarHBondContact O-OG 2.86Å; L267-F286 HydrophobicContact CD1-CE1 3.97Å; L267-F286 HydrophobicContact CD1-CZ 3.87Å; L267-F286 HydrophobicContact CD2-CE1 3.79Å; L267-F286 HydrophobicContact CD2-CZ 4.12Å; L267-F286 HydrophobicContact CG-CE1 3.71Å; L267-F286 HydrophobicContact CG-CZ 4.11Å
268	E	93.4	Very high	96.1	Very high	103 Å²	103	27.4 Å²	27.4	48%	0.481	13%	0.127	S	C	.	.	H	α-helix	trans	-66.5	-43.3	-177.2	-168.2	-166.4	130.6	0	0	112.6	T266 R272 A288	T266-E268 VanDerWaalsContact C-N 3.31Å; T266-E268 PolarHBondContact O-N 2.94Å; E268-R272 WeakPolarHBondContact O-CB 3.31Å; E268-R272 PolarHBondContact O-N 3.36Å; E268-R272 IonicContact OE1-CZ 3.73Å; E268-R272 IonicContact OE1-NH1 3.64Å; E268-R272 IonicContact OE1-NH2 2.72Å; E268-R272 PolarHBondContact OE1-NH2 3.47Å; E268-A288 HydrophobicContact CG-CB 4.3Å
269	Q	94.8	Very high	95.9	Very high	83 Å²	83	28.8 Å²	28.8	39%	0.388	14%	0.143	S	C	.	.	H	α-helix	trans	-70	-47.6	-179.8	-174	170.8	35.3	0	0	110.5	E58 V61 T266 S271 R272 Y273	E58-Q269 PolarHBondContact OE2-NE2 3.03Å; V61-Q269 HydrophobicContact CG1-CG 4.23Å; V61-Q269 HydrophobicContact CG2-CG 3.8Å; T266-Q269 PolarHBondContact O-N 3.37Å; Q269-S271 PolarHBondContact O-N 3.45Å; Q269-R272 WeakPolarHBondContact O-CB 3.19Å; Q269-R272 PolarHBondContact O-N 3.04Å; Q269-Y273 PolarHBondContact O-N 3.02Å
270	D	96.6	Very high	95.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62	-40.1	177.6	-66.6	28.4	0	0	0	112.3	H65 R68 F169 G262 K263 T266 Y273 V274	H65-D270 IonicContact CE1-OD1 3.75Å; H65-D270 IonicContact CE1-OD2 2.7Å; H65-D270 PolarHBondContact CE1-OD2 2.8Å; H65-D270 IonicContact NE2-OD1 3.46Å; R68-D270 IonicContact CZ-OD2 3.41Å; R68-D270 IonicContact NH1-OD1 3.45Å; R68-D270 IonicContact NH1-OD2 3.45Å; R68-D270 PolarHBondContact NH1-OD2 2.7Å; R68-D270 IonicContact NH2-OD1 3.88Å; R68-D270 IonicContact NH2-OD2 2.67Å; F169-D270 HydrophobicContact CE1-CB 3.54Å; F169-D270 HydrophobicContact CZ-CB 3.74Å; G262-D270 WeakPolarHBondContact CA-OD2 3.07Å; K263-D270 PolarHBondContact N-OD2 3.3Å; T266-D270 WeakPolarHBondContact CB-OD1 3.41Å; T266-D270 PolarHBondContact O-N 3.42Å; T266-D270 VanDerWaalsContact O-N 3.08Å; T266-D270 VanDerWaalsContact O-OD1 3.12Å; T266-D270 PolarHBondContact OG1-OD1 2.67Å; T266-D270 PolarHBondContact OG1-OD2 2.94Å; D270-Y273 WeakPolarHBondContact O-CB 3.34Å; D270-Y273 PolarHBondContact O-N 2.88Å; D270-V274 WeakPolarHBondContact O-CG2 3.39Å; D270-V274 PolarHBondContact O-N 3.41Å; D270-V274 VanDerWaalsContact O-N 3.09Å
271	S	96.9	Very high	95.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-69.4	-36.3	176.3	-73.7	0	0	0	0	112.3	W115 L267 Q269 L275 F286	W115-S271 WeakPolarHBondContact CZ2-OG 3.34Å; L267-S271 WeakPolarHBondContact O-CB 3.12Å; L267-S271 PolarHBondContact O-N 3.24Å; L267-S271 PolarHBondContact O-OG 2.86Å; Q269-S271 PolarHBondContact O-N 3.45Å; S271-L275 WeakPolarHBondContact O-CG 3.39Å; S271-L275 PolarHBondContact O-N 2.66Å; S271-L275 VanDerWaalsContact O-N 3.14Å; S271-F286 WeakPolarHBondContact OG-CD2 3.33Å; S271-F286 WeakPolarHBondContact OG-CG 3.38Å
272	R	95.7	Very high	95.1	Very high	100 Å²	100	38.5 Å²	38.5	38%	0.377	19%	0.189	S	C	.	.	H	α-helix	trans	-62.2	-44.5	171.6	-177.2	-177.3	-62.7	114.8	6.4	110.9	E268 Q269 V274 L275 Q276	E268-R272 WeakPolarHBondContact O-CB 3.31Å; E268-R272 PolarHBondContact O-N 3.36Å; E268-R272 IonicContact OE1-CZ 3.73Å; E268-R272 IonicContact OE1-NH1 3.64Å; E268-R272 IonicContact OE1-NH2 2.72Å; E268-R272 PolarHBondContact OE1-NH2 3.47Å; Q269-R272 WeakPolarHBondContact O-CB 3.19Å; Q269-R272 PolarHBondContact O-N 3.04Å; R272-V274 PolarHBondContact O-N 2.87Å; R272-L275 PolarHBondContact O-N 2.98Å; R272-Q276 HydrophobicContact CG-CG 4.43Å; R272-Q276 WeakPolarHBondContact O-CG 3.18Å; R272-Q276 PolarHBondContact O-N 3.45Å
273	Y	95.7	Very high	94.8	Very high	8 Å²	8	43.1 Å²	43.1	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-57.5	-48.4	177.6	-176.3	-102.3	0	0	0	112.4	L51 V57 V61 A62 H65 V260 Q269 D270 L275 Q276 L277	L51-Y273 HydrophobicContact CD1-CE1 4.49Å; L51-Y273 VanDerWaalsContact CD1-OH 3.24Å; L51-Y273 WeakPolarHBondContact CD1-OH 3.48Å; V57-Y273 HydrophobicContact CB-CD2 4.31Å; V57-Y273 HydrophobicContact CB-CE2 3.94Å; V57-Y273 HydrophobicContact CG1-CD2 3.33Å; V57-Y273 HydrophobicContact CG1-CE2 3.45Å; V57-Y273 VanDerWaalsContact CG1-CE2 3.45Å; V57-Y273 HydrophobicContact CG1-CG 4.46Å; V61-Y273 HydrophobicContact CB-CD2 4.1Å; V61-Y273 HydrophobicContact CG1-CD2 3.54Å; V61-Y273 HydrophobicContact CG1-CE2 4.25Å; V61-Y273 HydrophobicContact CG1-CG 3.75Å; A62-Y273 HydrophobicContact CB-CE2 4.09Å; H65-Y273 HydrophobicContact CB-CE1 4.15Å; H65-Y273 AromaticContact CD2-CD1 3.23Å; H65-Y273 WeakPolarHBondContact CD2-CD1 3.43Å; H65-Y273 AromaticContact CD2-CE1 3.44Å; H65-Y273 VanDerWaalsContact CD2-CE1 3.44Å; H65-Y273 WeakPolarHBondContact CD2-CE1 3.41Å; H65-Y273 AromaticContact CD2-CG 3.76Å; H65-Y273 AromaticContact CG-CE1 4Å; H65-Y273 AromaticContact NE2-CD1 3.6Å; H65-Y273 AromaticContact NE2-CG 3.99Å; V260-Y273 HydrophobicContact CG1-CD1 4.23Å; V260-Y273 HydrophobicContact CG1-CE1 4.47Å; V260-Y273 HydrophobicContact CG2-CD1 4.37Å; V260-Y273 HydrophobicContact CG2-CE1 4.02Å; Q269-Y273 PolarHBondContact O-N 3.02Å; D270-Y273 WeakPolarHBondContact O-CB 3.34Å; D270-Y273 PolarHBondContact O-N 2.88Å; Y273-L275 VanDerWaalsContact C-N 3.35Å; Y273-L275 PolarHBondContact O-N 3.2Å; Y273-Q276 PolarHBondContact O-N 2.7Å; Y273-L277 HydrophobicContact CD1-CD1 3.96Å; Y273-L277 HydrophobicContact CE1-CD1 3.5Å; Y273-L277 HydrophobicContact CE1-CG 4.28Å; Y273-L277 WeakPolarHBondContact O-CG 3.49Å; Y273-L277 PolarHBondContact O-N 3.33Å
274	V	96.9	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-41.7	175.8	171.7	0	0	0	0	112	W115 F167 F169 V260 D270 R272 L277 A278	W115-V274 HydrophobicContact CH2-CB 3.92Å; W115-V274 HydrophobicContact CH2-CG1 3.77Å; W115-V274 HydrophobicContact CZ2-CB 4.45Å; W115-V274 HydrophobicContact CZ3-CG1 4.35Å; F167-V274 HydrophobicContact CB-CG2 4.39Å; F167-V274 HydrophobicContact CD1-CG1 3.89Å; F167-V274 HydrophobicContact CD2-CG1 4.1Å; F167-V274 HydrophobicContact CD2-CG2 4.19Å; F167-V274 HydrophobicContact CE1-CG1 3.77Å; F167-V274 HydrophobicContact CE2-CG1 3.98Å; F167-V274 HydrophobicContact CG-CG1 4.05Å; F167-V274 HydrophobicContact CG-CG2 4.26Å; F167-V274 HydrophobicContact CZ-CG1 3.8Å; F169-V274 HydrophobicContact CE2-CG2 4.35Å; V260-V274 HydrophobicContact CB-CG2 4.27Å; V260-V274 HydrophobicContact CG1-CG2 3.76Å; D270-V274 WeakPolarHBondContact O-CG2 3.39Å; D270-V274 PolarHBondContact O-N 3.41Å; D270-V274 VanDerWaalsContact O-N 3.09Å; R272-V274 PolarHBondContact O-N 2.87Å; V274-L277 PolarHBondContact O-N 3.06Å; V274-A278 PolarHBondContact O-N 2.67Å
275	L	96.7	Very high	94.6	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-69.5	-33.4	178.5	-70.3	171.8	0	0	0	112.7	V118 L122 S271 R272 Y273 A278 G279 A280 D281 V284 F286	V118-L275 HydrophobicContact CG1-CD2 4Å; L122-L275 HydrophobicContact CD1-CD2 4.12Å; S271-L275 WeakPolarHBondContact O-CG 3.39Å; S271-L275 PolarHBondContact O-N 2.66Å; S271-L275 VanDerWaalsContact O-N 3.14Å; R272-L275 PolarHBondContact O-N 2.98Å; Y273-L275 VanDerWaalsContact C-N 3.35Å; Y273-L275 PolarHBondContact O-N 3.2Å; L275-A278 PolarHBondContact O-N 3.35Å; L275-G279 PolarHBondContact O-N 3.26Å; L275-G279 VanDerWaalsContact O-N 3.12Å; L275-A280 HydrophobicContact CD2-CB 4.21Å; L275-A280 PolarHBondContact O-N 2.96Å; L275-D281 HydrophobicContact CB-CB 4.28Å; L275-D281 PolarHBondContact O-N 3.37Å; L275-V284 HydrophobicContact CD1-CG1 4.21Å; L275-V284 HydrophobicContact CD2-CG1 3.7Å; L275-F286 HydrophobicContact CD1-CB 4.14Å
276	Q	94.9	Very high	94.7	Very high	64 Å²	64	47.9 Å²	47.9	30%	0.299	23%	0.226	S	C	.	.	H	α-helix	trans	-67.4	-44.1	173.2	-75.3	171.9	-41.9	0	0	111.5	V57 R272 Y273 A278 G279 D281	V57-Q276 HydrophobicContact CG1-CB 4.26Å; R272-Q276 HydrophobicContact CG-CG 4.43Å; R272-Q276 WeakPolarHBondContact O-CG 3.18Å; R272-Q276 PolarHBondContact O-N 3.45Å; Y273-Q276 PolarHBondContact O-N 2.7Å; Q276-A278 PolarHBondContact O-N 3.38Å; Q276-G279 PolarHBondContact O-N 2.8Å; Q276-D281 HydrophobicContact CG-CB 3.83Å
277	L	94.5	Very high	94.5	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-58.4	-39	172.1	-69.6	174.9	0	0	0	111.5	P47 L51 V57 L165 V260 Y273 V274 G279	P47-L277 VanDerWaalsContact CA-O 3.24Å; P47-L277 WeakPolarHBondContact CA-O 3.32Å; P47-L277 HydrophobicContact CB-CB 4.4Å; P47-L277 WeakPolarHBondContact CB-O 3.34Å; L51-L277 HydrophobicContact CB-CD1 4.41Å; L51-L277 HydrophobicContact CB-CD2 4.02Å; L51-L277 HydrophobicContact CD1-CD1 4.1Å; L51-L277 HydrophobicContact CD1-CD2 4.37Å; V57-L277 HydrophobicContact CG2-CD2 4.4Å; L165-L277 HydrophobicContact CD1-CD1 4.26Å; L165-L277 HydrophobicContact CD2-CB 3.9Å; L165-L277 HydrophobicContact CD2-CD1 3.92Å; V260-L277 HydrophobicContact CG2-CD1 3.9Å; Y273-L277 HydrophobicContact CD1-CD1 3.96Å; Y273-L277 HydrophobicContact CE1-CD1 3.5Å; Y273-L277 HydrophobicContact CE1-CG 4.28Å; Y273-L277 WeakPolarHBondContact O-CG 3.49Å; Y273-L277 PolarHBondContact O-N 3.33Å; V274-L277 PolarHBondContact O-N 3.06Å; L277-G279 PolarHBondContact O-N 2.95Å
278	A	95.1	Very high	93.5	Very high	5 Å²	5	48 Å²	48	4%	0.041	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.9	173.9	0	0	0	0	0	114.2	R44 L102 V274 L275 Q276 A280	R44-A278 PolarHBondContact NH2-O 3.39Å; L102-A278 HydrophobicContact CD1-CB 4.13Å; L102-A278 HydrophobicContact CD2-CB 4.2Å; V274-A278 PolarHBondContact O-N 2.67Å; L275-A278 PolarHBondContact O-N 3.35Å; Q276-A278 PolarHBondContact O-N 3.38Å; A278-A280 HydrophobicContact CB-CB 3.81Å; A278-A280 PolarHBondContact O-N 2.55Å
279	G	94.3	Very high	92.3	Very high	34 Å²	34	45.4 Å²	45.4	35%	0.351	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.7	-165.8	0	0	0	0	0	112.7	R44 L275 Q276 L277	R44-G279 PolarHBondContact NH2-O 3.44Å; L275-G279 PolarHBondContact O-N 3.26Å; L275-G279 VanDerWaalsContact O-N 3.12Å; Q276-G279 PolarHBondContact O-N 2.8Å; L277-G279 PolarHBondContact O-N 2.95Å
280	A	94.8	Very high	90.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.			trans	-111.3	-1.1	-173.8	0	0	0	0	0	112.7	L122 L275 A278 Q282 Q283 V284	L122-A280 HydrophobicContact CD1-CB 4.37Å; L122-A280 HydrophobicContact CD2-CB 3.76Å; L275-A280 HydrophobicContact CD2-CB 4.21Å; L275-A280 PolarHBondContact O-N 2.96Å; A278-A280 HydrophobicContact CB-CB 3.81Å; A278-A280 PolarHBondContact O-N 2.55Å; A280-Q282 PolarHBondContact O-N 2.89Å; A280-Q283 PolarHBondContact O-N 2.86Å; A280-V284 PolarHBondContact O-N 3.32Å
281	D	92.3	Very high	89	Confident	44 Å²	44	53.8 Å²	53.8	24%	0.235	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.9	178	66.6	-56	0	0	0	114.1	L275 Q276	L275-D281 HydrophobicContact CB-CB 4.28Å; L275-D281 PolarHBondContact O-N 3.37Å; Q276-D281 HydrophobicContact CG-CB 3.83Å
282	Q	91.9	Very high	87.1	Confident	165 Å²	165	58.6 Å²	58.6	77%	0.771	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-19.9	172.5	-55.7	-56.3	-49.8	0	0	113.3	A280	A280-Q282 PolarHBondContact O-N 2.89Å
283	Q	91.6	Very high	85.7	Confident	96 Å²	96	58.1 Å²	58.1	45%	0.449	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-40.2	180	178.5	177.1	-6.2	0	0	111.9	L122 A280	L122-Q283 HydrophobicContact CD2-CG 4.24Å; A280-Q283 PolarHBondContact O-N 2.86Å
284	V	94.7	Very high	85	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.03	33%	0.328	C	S	.	.			trans	-143.6	146.6	-175.7	73.7	0	0	0	0	110.5	V118 V121 L122 P132 L275 A280	V118-V284 HydrophobicContact CG1-CG1 3.93Å; V118-V284 HydrophobicContact CG1-CG2 4.43Å; V118-V284 HydrophobicContact CG2-CG2 4.28Å; V121-V284 HydrophobicContact CB-CG2 4.2Å; V121-V284 HydrophobicContact CG1-CB 4.29Å; V121-V284 HydrophobicContact CG1-CG2 4.01Å; L122-V284 HydrophobicContact CD1-CG1 4.31Å; L122-V284 HydrophobicContact CD2-CB 4.33Å; L122-V284 HydrophobicContact CD2-CG1 3.63Å; L122-V284 HydrophobicContact CG-CG1 4Å; P132-V284 HydrophobicContact CG-CG2 3.39Å; L275-V284 HydrophobicContact CD1-CG1 4.21Å; L275-V284 HydrophobicContact CD2-CG1 3.7Å; A280-V284 PolarHBondContact O-N 3.32Å
285	R	93.9	Very high	84.4	Confident	208 Å²	208	62.5 Å²	62.5	79%	0.785	33%	0.328	S	S	*	.			trans	-112	138.6	169.2	-68.9	-176.9	177.9	172.6	0.6	109.6	P287	R285-P287 WeakPolarHBondContact O-CD 3.38Å
286	F	95	Very high	84	Confident	20 Å²	20	64 Å²	64	9%	0.088	34%	0.337	C	S	.	.			trans	-67.2	125.6	174.3	-176.2	-89.7	0	0	0	110.2	A111 N114 W115 V118 L267 S271 L275 A288	A111-F286 HydrophobicContact CB-CZ 3.91Å; N114-F286 HydrophobicContact CB-CE1 4.46Å; N114-F286 HydrophobicContact CB-CE2 3.93Å; N114-F286 HydrophobicContact CB-CZ 3.73Å; W115-F286 HydrophobicContact CB-CE2 4.49Å; W115-F286 AromaticContact CD1-CE2 3.66Å; W115-F286 HydrophobicContact CD2-CD2 4Å; W115-F286 AromaticContact CD2-CE2 3.72Å; W115-F286 HydrophobicContact CD2-CE2 3.72Å; W115-F286 AromaticContact CE2-CD2 3.91Å; W115-F286 AromaticContact CE2-CE2 3.67Å; W115-F286 HydrophobicContact CE3-CD2 4.3Å; W115-F286 HydrophobicContact CE3-CE2 4.42Å; W115-F286 HydrophobicContact CG-CD2 4.46Å; W115-F286 AromaticContact CG-CE2 3.73Å; W115-F286 HydrophobicContact CG-CE2 3.73Å; W115-F286 HydrophobicContact CH2-CD2 4.43Å; W115-F286 HydrophobicContact CZ2-CD2 4.15Å; W115-F286 HydrophobicContact CZ2-CE2 4.34Å; W115-F286 HydrophobicContact CZ3-CD2 4.5Å; W115-F286 AromaticContact NE1-CE2 3.62Å; V118-F286 HydrophobicContact CG2-CD2 4.09Å; L267-F286 HydrophobicContact CD1-CE1 3.97Å; L267-F286 HydrophobicContact CD1-CZ 3.87Å; L267-F286 HydrophobicContact CD2-CE1 3.79Å; L267-F286 HydrophobicContact CD2-CZ 4.12Å; L267-F286 HydrophobicContact CG-CE1 3.71Å; L267-F286 HydrophobicContact CG-CZ 4.11Å; S271-F286 WeakPolarHBondContact OG-CD2 3.33Å; S271-F286 WeakPolarHBondContact OG-CG 3.38Å; L275-F286 HydrophobicContact CD1-CB 4.14Å; F286-A288 PolarHBondContact O-N 3.17Å
287	P	90.8	Very high	83.7	Confident	12 Å²	12	62.2 Å²	62.2	8%	0.078	34%	0.336	C	S	.	.			trans	-76.4	102.6	178.5	30.2	-33.8	0	0	0	110.2	N114 P132 L133 R285	N114-P287 HydrophobicContact CB-CG 3.83Å; N114-P287 PolarHBondContact ND2-O 3.3Å; P132-P287 HydrophobicContact CB-CG 3.99Å; L133-P287 HydrophobicContact CD1-CB 4Å; L133-P287 HydrophobicContact CD2-CB 3.67Å; L133-P287 HydrophobicContact CD2-CG 4.18Å; L133-P287 HydrophobicContact CG-CB 3.62Å; L133-P287 HydrophobicContact CG-CG 4.35Å; R285-P287 WeakPolarHBondContact O-CD 3.38Å
288	A	72.9	Confident	83.6	Confident	53 Å²	53	67.9 Å²	67.9	44%	0.438	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-58.6	140.9	172.4	0	0	0	0	0	110.7	E268 F286	E268-A288 HydrophobicContact CG-CB 4.3Å; F286-A288 PolarHBondContact O-N 3.17Å
289	S	67.3	Low	83.6	Confident	48 Å²	48	70.2 Å²	70.2	34%	0.336	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-73.9	141.9	-177	-175.3	0	0	0	0	111.6	K291 T293	S289-K291 PolarHBondContact O-N 3.3Å; S289-T293 PolarHBondContact OG-OG1 3.02Å
290	S	61.2	Low	83.6	Confident	66 Å²	66	68.6 Å²	68.6	46%	0.462	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-53.8	130.3	163.5	173.9	0	0	0	0	110.6	S292 T293	S290-S292 PolarHBondContact O-N 2.79Å; S290-S292 VanDerWaalsContact O-N 3.07Å; S290-S292 PolarHBondContact OG-N 3.17Å; S290-S292 PolarHBondContact OG-OG 3.09Å; S290-T293 PolarHBondContact O-N 3.41Å; S290-T293 VanDerWaalsContact O-N 3.16Å; S290-T293 PolarHBondContact O-OG1 3.48Å
291	K	61.6	Low	83.6	Confident	194 Å²	194	69.7 Å²	69.7	84%	0.843	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-53.4	-30	175.1	-67	-177	179.4	179	0	112.3	S289 T293 R294	S289-K291 PolarHBondContact O-N 3.3Å; K291-T293 VanDerWaalsContact C-N 3.32Å; K291-T293 PolarHBondContact O-N 3.01Å; K291-R294 PolarHBondContact O-N 3.22Å
292	S	57.3	Low	83.8	Confident	101 Å²	101	72.1 Å²	72.1	71%	0.706	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.1	-177.1	65.2	0	0	0	0	115.2	S290	S290-S292 PolarHBondContact O-N 2.79Å; S290-S292 VanDerWaalsContact O-N 3.07Å; S290-S292 PolarHBondContact OG-N 3.17Å; S290-S292 PolarHBondContact OG-OG 3.09Å
293	T	66.9	Low	84	Confident	90 Å²	90	67.1 Å²	67.1	55%	0.552	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-94.1	-8.9	179.9	53.1	0	0	0	0	114	S289 S290 K291 T295	S289-T293 PolarHBondContact OG-OG1 3.02Å; S290-T293 PolarHBondContact O-N 3.41Å; S290-T293 VanDerWaalsContact O-N 3.16Å; S290-T293 PolarHBondContact O-OG1 3.48Å; K291-T293 VanDerWaalsContact C-N 3.32Å; K291-T293 PolarHBondContact O-N 3.01Å; T293-T295 PolarHBondContact O-N 3.26Å
294	R	80.9	Confident	84.2	Confident	100 Å²	100	62.6 Å²	62.6	38%	0.377	34%	0.337	S	S	.	.			trans	-77.2	120	-174.3	-175.7	169.8	93.6	120.6	8.3	111	Y264 K291	Y264-R294 HydrophobicContact CE1-CG 4.05Å; K291-R294 PolarHBondContact O-N 3.22Å
295	T	83.2	Confident	84.1	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.364	C	S	.	.			trans	-59	136.5	157.2	-58.7	0	0	0	0	108.2	R171 E175 V178 R182 T293 M299	R171-T295 PolarHBondContact NH2-O 3.39Å; E175-T295 HydrophobicContact CB-CG2 4.43Å; V178-T295 HydrophobicContact CB-CG2 4.05Å; V178-T295 HydrophobicContact CG1-CG2 3.63Å; R182-T295 PolarHBondContact NH1-OG1 2.91Å; T293-T295 PolarHBondContact O-N 3.26Å; T295-M299 HydrophobicContact CG2-CB 4.4Å; T295-M299 HydrophobicContact CG2-CG 4.34Å; T295-M299 HydrophobicContact CG2-SD 4.1Å
296	T	88.6	Confident	83.9	Confident	34 Å²	34	64.8 Å²	64.8	21%	0.209	36%	0.36	C	S	.	.			trans	-113.5	168.7	174.5	60.5	0	0	0	0	110.9	E175 D298 M299 A300	E175-T296 VanDerWaalsContact OE1-C 3.3Å; T296-D298 PolarHBondContact O-N 3.16Å; T296-M299 PolarHBondContact O-N 2.73Å; T296-M299 PolarHBondContact OG1-N 3.15Å; T296-A300 PolarHBondContact O-N 3.48Å
297	G	89.8	Confident	84	Confident	28 Å²	28	64.1 Å²	64.1	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-53.7	-39.3	171.2	0	0	0	0	0	113.1	E175 A300 A301	E175-G297 PolarHBondContact OE1-N 3.35Å; G297-A300 PolarHBondContact O-N 3.11Å; G297-A301 PolarHBondContact O-N 3.34Å
298	D	91.9	Very high	84.2	Confident	122 Å²	122	65.6 Å²	65.6	65%	0.652	37%	0.368	S	S	*	.	H	α-helix	trans	-64.6	-47.8	176.6	-38.9	-62.3	0	0	0	111.1	T296 A300 A301 D302	T296-D298 PolarHBondContact O-N 3.16Å; D298-A300 VanDerWaalsContact C-N 3.26Å; D298-A300 PolarHBondContact O-N 3.22Å; D298-A301 WeakPolarHBondContact O-CA 3.4Å; D298-A301 VanDerWaalsContact O-CB 3.29Å; D298-A301 WeakPolarHBondContact O-CB 3.45Å; D298-A301 PolarHBondContact O-N 3.46Å; D298-D302 PolarHBondContact O-N 3.1Å
299	M	93.8	Very high	85.3	Confident	53 Å²	53	65.4 Å²	65.4	26%	0.261	36%	0.362	S	S	.	.	H	α-helix	trans	-61.8	-36.3	175	-177.1	-178.4	-66	0	0	111.6	R182 T295 T296 D302 F303	R182-M299 PolarHBondContact NH1-SD 2.79Å; T295-M299 HydrophobicContact CG2-CB 4.4Å; T295-M299 HydrophobicContact CG2-CG 4.34Å; T295-M299 HydrophobicContact CG2-SD 4.1Å; T296-M299 PolarHBondContact O-N 2.73Å; T296-M299 PolarHBondContact OG1-N 3.15Å; M299-D302 PolarHBondContact O-N 3.01Å; M299-F303 HydrophobicContact CG-CD2 4.31Å; M299-F303 HydrophobicContact CG-CE2 4.16Å; M299-F303 VanDerWaalsContact O-CD2 3.27Å; M299-F303 WeakPolarHBondContact O-CD2 3.33Å; M299-F303 PolarHBondContact O-N 3.34Å
300	A	94.8	Very high	86.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-66.2	-41.1	173.7	0	0	0	0	0	111.1	E175 V178 T296 G297 D298 D302 F303 F304	E175-A300 HydrophobicContact CG-CB 4.25Å; V178-A300 HydrophobicContact CG2-CB 4.35Å; T296-A300 PolarHBondContact O-N 3.48Å; G297-A300 PolarHBondContact O-N 3.11Å; D298-A300 VanDerWaalsContact C-N 3.26Å; D298-A300 PolarHBondContact O-N 3.22Å; A300-D302 VanDerWaalsContact C-N 3.31Å; A300-D302 PolarHBondContact O-N 3.47Å; A300-F303 PolarHBondContact O-N 2.93Å; A300-F304 WeakPolarHBondContact O-CD2 3.28Å; A300-F304 PolarHBondContact O-N 3.09Å
301	A	95.2	Very high	88.3	Confident	23 Å²	23	68.6 Å²	68.6	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-57.1	-44.1	174	0	0	0	0	0	111.7	G297 D298 F303 F304 Q305 Y333	G297-A301 PolarHBondContact O-N 3.34Å; D298-A301 WeakPolarHBondContact O-CA 3.4Å; D298-A301 VanDerWaalsContact O-CB 3.29Å; D298-A301 WeakPolarHBondContact O-CB 3.45Å; D298-A301 PolarHBondContact O-N 3.46Å; A301-F303 PolarHBondContact O-N 2.75Å; A301-F304 CarbonylContact O-C 3.59Å; A301-F304 WeakPolarHBondContact O-CA 3.2Å; A301-F304 PolarHBondContact O-N 3.38Å; A301-Q305 WeakPolarHBondContact O-CG 3.17Å; A301-Q305 PolarHBondContact O-N 3.13Å; A301-Q305 VanDerWaalsContact O-N 3.07Å; A301-Y333 HydrophobicContact CB-CD1 3.47Å; A301-Y333 VanDerWaalsContact CB-CD1 3.47Å; A301-Y333 HydrophobicContact CB-CD2 4.25Å; A301-Y333 HydrophobicContact CB-CE1 3.98Å; A301-Y333 HydrophobicContact CB-CG 3.62Å
302	D	95.9	Very high	90	Very high	96 Å²	96	59.5 Å²	59.5	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-56.3	-46.7	177.2	-67.2	-25.2	0	0	0	112.7	D298 M299 A300 F304 Q305	D298-D302 PolarHBondContact O-N 3.1Å; M299-D302 PolarHBondContact O-N 3.01Å; A300-D302 VanDerWaalsContact C-N 3.31Å; A300-D302 PolarHBondContact O-N 3.47Å; D302-F304 PolarHBondContact O-N 2.92Å; D302-Q305 PolarHBondContact O-N 3.1Å; D302-Q305 PolarHBondContact OD1-NE2 2.93Å
303	F	96.6	Very high	91.9	Very high	59 Å²	59	59.9 Å²	59.9	26%	0.259	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-26.2	175.6	-85	-74.6	0	0	0	113.3	V178 Y181 R182 F222 M299 A300 A301	V178-F303 HydrophobicContact CB-CD2 4.42Å; V178-F303 HydrophobicContact CG1-CD2 3.31Å; V178-F303 HydrophobicContact CG1-CE2 3.68Å; V178-F303 HydrophobicContact CG1-CG 4Å; V178-F303 HydrophobicContact CG2-CB 3.87Å; V178-F303 HydrophobicContact CG2-CD2 4.23Å; V178-F303 HydrophobicContact CG2-CG 4.16Å; Y181-F303 HydrophobicContact CD1-CD1 4.47Å; Y181-F303 AromaticContact CD1-CE1 3.93Å; Y181-F303 HydrophobicContact CD1-CE1 3.93Å; Y181-F303 HydrophobicContact CD1-CZ 4.38Å; Y181-F303 HydrophobicContact CE1-CD1 4.36Å; Y181-F303 AromaticContact CE1-CE1 3.6Å; Y181-F303 HydrophobicContact CE1-CE1 3.6Å; Y181-F303 HydrophobicContact CE1-CZ 4.23Å; R182-F303 HydrophobicContact CG-CE2 4.01Å; R182-F303 HydrophobicContact CG-CZ 3.9Å; F222-F303 HydrophobicContact CB-CD1 3.6Å; F222-F303 HydrophobicContact CB-CE1 4.13Å; F222-F303 HydrophobicContact CD1-CB 3.78Å; F222-F303 HydrophobicContact CD1-CD1 4.04Å; F222-F303 HydrophobicContact CD1-CG 4.35Å; F222-F303 VanDerWaalsContact CD1-O 3.23Å; F222-F303 WeakPolarHBondContact CD1-O 3.48Å; F222-F303 HydrophobicContact CD2-CD1 4.21Å; F222-F303 HydrophobicContact CE1-CB 3.89Å; F222-F303 HydrophobicContact CG-CB 4.21Å; F222-F303 AromaticContact CG-CD1 3.68Å; F222-F303 HydrophobicContact CG-CD1 3.68Å; F222-F303 HydrophobicContact CG-CG 4.3Å; F222-F303 HydrophobicContact CZ-CB 4.43Å; M299-F303 HydrophobicContact CG-CD2 4.31Å; M299-F303 HydrophobicContact CG-CE2 4.16Å; M299-F303 VanDerWaalsContact O-CD2 3.27Å; M299-F303 WeakPolarHBondContact O-CD2 3.33Å; M299-F303 PolarHBondContact O-N 3.34Å; A300-F303 PolarHBondContact O-N 2.93Å; A301-F303 PolarHBondContact O-N 2.75Å
304	F	96.3	Very high	93.3	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-90.8	-10.5	-179.2	-83.9	-108.6	0	0	0	114.3	F174 V178 F222 A300 A301 D302 N306 I307 Q312 L315 Y333 L334	F174-F304 HydrophobicContact CB-CE2 4.05Å; F174-F304 HydrophobicContact CB-CZ 3.95Å; F174-F304 HydrophobicContact CD1-CZ 4.14Å; F174-F304 HydrophobicContact CD2-CD1 4.28Å; F174-F304 AromaticContact CD2-CE1 3.41Å; F174-F304 HydrophobicContact CD2-CE1 3.41Å; F174-F304 VanDerWaalsContact CD2-CE1 3.41Å; F174-F304 HydrophobicContact CD2-CE2 4.02Å; F174-F304 AromaticContact CD2-CZ 3.23Å; F174-F304 HydrophobicContact CD2-CZ 3.23Å; F174-F304 HydrophobicContact CE1-CZ 4.43Å; F174-F304 HydrophobicContact CE2-CD1 4.3Å; F174-F304 AromaticContact CE2-CE1 3.33Å; F174-F304 HydrophobicContact CE2-CE1 3.33Å; F174-F304 AromaticContact CE2-CZ 3.58Å; F174-F304 HydrophobicContact CE2-CZ 3.58Å; F174-F304 HydrophobicContact CG-CE1 4.18Å; F174-F304 HydrophobicContact CG-CE2 4.16Å; F174-F304 AromaticContact CG-CZ 3.53Å; F174-F304 HydrophobicContact CG-CZ 3.53Å; F174-F304 HydrophobicContact CZ-CE1 4.07Å; F174-F304 HydrophobicContact CZ-CZ 4.17Å; V178-F304 HydrophobicContact CG2-CE2 4.11Å; F222-F304 AromaticContact CE1-CD2 3.78Å; F222-F304 HydrophobicContact CE1-CD2 3.78Å; F222-F304 AromaticContact CE1-CE2 3.66Å; F222-F304 HydrophobicContact CE1-CE2 3.66Å; F222-F304 HydrophobicContact CE1-CG 4.5Å; F222-F304 HydrophobicContact CE1-CZ 4.25Å; F222-F304 HydrophobicContact CZ-CD2 4.13Å; F222-F304 AromaticContact CZ-CE2 3.56Å; F222-F304 HydrophobicContact CZ-CE2 3.56Å; F222-F304 HydrophobicContact CZ-CZ 4.1Å; A300-F304 WeakPolarHBondContact O-CD2 3.28Å; A300-F304 PolarHBondContact O-N 3.09Å; A301-F304 CarbonylContact O-C 3.59Å; A301-F304 WeakPolarHBondContact O-CA 3.2Å; A301-F304 PolarHBondContact O-N 3.38Å; D302-F304 PolarHBondContact O-N 2.92Å; F304-N306 VanDerWaalsContact C-N 3.28Å; F304-N306 PolarHBondContact O-N 3.24Å; F304-I307 PolarHBondContact O-N 2.92Å; F304-I307 VanDerWaalsContact O-N 3.14Å; F304-Q312 HydrophobicContact CD1-CG 4.23Å; F304-Q312 PolarHBondContact O-NE2 3.21Å; F304-Q312 VanDerWaalsContact O-NE2 3.15Å; F304-L315 HydrophobicContact CE1-CD2 3.73Å; F304-L315 HydrophobicContact CZ-CD2 3.61Å; F304-Y333 HydrophobicContact CB-CD2 3.94Å; F304-Y333 HydrophobicContact CB-CE2 3.84Å; F304-Y333 HydrophobicContact CD1-CE2 4.19Å; F304-Y333 HydrophobicContact CD2-CE2 4.15Å; F304-Y333 HydrophobicContact CG-CD2 4.37Å; F304-Y333 AromaticContact CG-CE2 3.81Å; F304-Y333 HydrophobicContact CG-CE2 3.81Å; F304-L334 HydrophobicContact CD1-CD2 3.53Å; F304-L334 HydrophobicContact CE1-CD2 3.88Å; F304-L334 HydrophobicContact CG-CD2 4.37Å
305	Q	92.9	Very high	94.2	Very high	125 Å²	125	54.6 Å²	54.6	58%	0.584	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-41.4	-176.6	-66.9	-174.7	21.9	0	0	113.2	A301 D302	A301-Q305 WeakPolarHBondContact O-CG 3.17Å; A301-Q305 PolarHBondContact O-N 3.13Å; A301-Q305 VanDerWaalsContact O-N 3.07Å; D302-Q305 PolarHBondContact O-N 3.1Å; D302-Q305 PolarHBondContact OD1-NE2 2.93Å
306	N	90.1	Very high	94.9	Very high	133 Å²	133	56.4 Å²	56.4	71%	0.711	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.6	-176.6	-65.5	-17.4	0	0	0	113.9	F304	F304-N306 VanDerWaalsContact C-N 3.28Å; F304-N306 PolarHBondContact O-N 3.24Å
307	I	96.1	Very high	95.3	Very high	6 Å²	6	59.3 Å²	59.3	3%	0.031	30%	0.304	C	S	.	.	S	Bend	trans	-79.8	124.6	-179.7	-51.8	-59.2	0	0	0	109	F222 E223 V226 F304 Q312	F222-I307 HydrophobicContact CD1-CD1 4.08Å; F222-I307 HydrophobicContact CD1-CG1 4.33Å; F222-I307 HydrophobicContact CE1-CD1 4.42Å; F222-I307 HydrophobicContact CE1-CG1 4.29Å; E223-I307 VanDerWaalsContact CA-CD1 3.48Å; E223-I307 HydrophobicContact CB-CD1 3.69Å; E223-I307 HydrophobicContact CG-CD1 3.97Å; V226-I307 HydrophobicContact CB-CD1 4.47Å; V226-I307 HydrophobicContact CG1-CG2 4.16Å; V226-I307 HydrophobicContact CG2-CD1 4.35Å; F304-I307 PolarHBondContact O-N 2.92Å; F304-I307 VanDerWaalsContact O-N 3.14Å; I307-Q312 HydrophobicContact CB-CG 3.91Å; I307-Q312 HydrophobicContact CG2-CG 3.68Å; I307-Q312 WeakPolarHBondContact O-CG 3.43Å; I307-Q312 PolarHBondContact O-NE2 3.27Å
308	S	95.3	Very high	95.6	Very high	44 Å²	44	59.4 Å²	59.4	31%	0.308	30%	0.297	S	S	.	.			trans	-65.1	150.3	-177.9	88.6	0	0	0	0	112.7	F310 Y311 Q312	S308-F310 PolarHBondContact O-N 2.9Å; S308-Y311 PolarHBondContact O-N 3.25Å; S308-Y311 WeakPolarHBondContact OG-CD2 3.39Å; S308-Q312 WeakPolarHBondContact O-CG 3.41Å; S308-Q312 PolarHBondContact O-N 3.08Å
309	P	95.6	Very high	95.9	Very high	48 Å²	48	53.6 Å²	53.6	31%	0.312	27%	0.266	S	S	.	.	H	α-helix	trans	-49.4	-35.9	179.3	-33.4	38.2	0	0	0	115	K313 K335	P309-K313 VanDerWaalsContact O-CB 3.27Å; P309-K313 WeakPolarHBondContact O-CB 3.43Å; P309-K313 PolarHBondContact O-N 2.73Å; P309-K335 WeakPolarHBondContact CA-O 3.42Å; P309-K335 WeakPolarHBondContact CB-O 3.42Å; P309-K335 HydrophobicContact CG-CB 4.11Å
310	F	95.5	Very high	96.1	Very high	117 Å²	117	56.7 Å²	56.7	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-48.3	175.8	174.4	-103	0	0	0	112.3	S308 K314	S308-F310 PolarHBondContact O-N 2.9Å; F310-K314 HydrophobicContact CD1-CD 4.4Å; F310-K314 HydrophobicContact CE1-CD 3.93Å; F310-K314 HydrophobicContact CZ-CD 4.09Å; F310-K314 PolarHBondContact O-N 2.76Å
311	Y	96.8	Very high	96.2	Very high	65 Å²	65	58.9 Å²	58.9	26%	0.255	29%	0.286	S	S	.	.	H	α-helix	trans	-74.2	-37.3	179.8	-73	-70.6	0	0	0	112.1	Y227 V230 S308 K313 K314 L315	Y227-Y311 AromaticContact CD1-CD1 3.5Å; Y227-Y311 HydrophobicContact CD1-CD1 3.5Å; Y227-Y311 AromaticContact CD1-CD2 3.87Å; Y227-Y311 HydrophobicContact CD1-CD2 3.87Å; Y227-Y311 AromaticContact CD1-CE1 3.49Å; Y227-Y311 HydrophobicContact CD1-CE1 3.49Å; Y227-Y311 VanDerWaalsContact CD1-CE1 3.49Å; Y227-Y311 AromaticContact CD1-CE2 3.89Å; Y227-Y311 HydrophobicContact CD1-CE2 3.89Å; Y227-Y311 AromaticContact CD1-CG 3.68Å; Y227-Y311 HydrophobicContact CD1-CG 3.68Å; Y227-Y311 AromaticContact CD1-CZ 3.68Å; Y227-Y311 AromaticContact CE1-CD1 3.68Å; Y227-Y311 HydrophobicContact CE1-CD1 3.68Å; Y227-Y311 AromaticContact CE1-CD2 3.13Å; Y227-Y311 HydrophobicContact CE1-CD2 3.13Å; Y227-Y311 AromaticContact CE1-CE1 3.79Å; Y227-Y311 HydrophobicContact CE1-CE1 3.79Å; Y227-Y311 AromaticContact CE1-CE2 3.3Å; Y227-Y311 HydrophobicContact CE1-CE2 3.3Å; Y227-Y311 AromaticContact CE1-CG 3.33Å; Y227-Y311 HydrophobicContact CE1-CG 3.33Å; Y227-Y311 AromaticContact CE1-CZ 3.6Å; Y227-Y311 HydrophobicContact CE2-CE2 4.4Å; Y227-Y311 HydrophobicContact CG-CE1 4.13Å; Y227-Y311 AromaticContact CZ-CD2 3.73Å; Y227-Y311 AromaticContact CZ-CE2 3.55Å; V230-Y311 HydrophobicContact CG2-CD1 3.59Å; V230-Y311 HydrophobicContact CG2-CE1 3.98Å; S308-Y311 PolarHBondContact O-N 3.25Å; S308-Y311 WeakPolarHBondContact OG-CD2 3.39Å; Y311-K313 VanDerWaalsContact C-N 3.34Å; Y311-K313 PolarHBondContact O-N 2.73Å; Y311-K314 PolarHBondContact O-N 3.15Å; Y311-L315 WeakPolarHBondContact O-CB 3.38Å; Y311-L315 PolarHBondContact O-N 2.94Å
312	Q	97.1	Very high	96.4	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-57.6	-46.3	171.5	-64.2	-168.8	16.3	0	0	111.7	F304 I307 S308 L315 Y316 L334	F304-Q312 HydrophobicContact CD1-CG 4.23Å; F304-Q312 PolarHBondContact O-NE2 3.21Å; F304-Q312 VanDerWaalsContact O-NE2 3.15Å; I307-Q312 HydrophobicContact CB-CG 3.91Å; I307-Q312 HydrophobicContact CG2-CG 3.68Å; I307-Q312 WeakPolarHBondContact O-CG 3.43Å; I307-Q312 PolarHBondContact O-NE2 3.27Å; S308-Q312 WeakPolarHBondContact O-CG 3.41Å; S308-Q312 PolarHBondContact O-N 3.08Å; Q312-L315 PolarHBondContact O-N 2.95Å; Q312-Y316 WeakPolarHBondContact O-CB 3.03Å; Q312-Y316 PolarHBondContact O-N 2.87Å; Q312-L334 HydrophobicContact CB-CD2 4.38Å; Q312-L334 HydrophobicContact CG-CD2 4.45Å
313	K	96.7	Very high	96.5	Very high	109 Å²	109	53.3 Å²	53.3	47%	0.474	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-41.1	178	-172.3	175.9	-176.6	173.6	0	112.5	P309 Y311 N317 F336	P309-K313 VanDerWaalsContact O-CB 3.27Å; P309-K313 WeakPolarHBondContact O-CB 3.43Å; P309-K313 PolarHBondContact O-N 2.73Å; Y311-K313 VanDerWaalsContact C-N 3.34Å; Y311-K313 PolarHBondContact O-N 2.73Å; K313-N317 WeakPolarHBondContact O-CB 3.41Å; K313-N317 VanDerWaalsContact O-CG 3.29Å; K313-N317 PolarHBondContact O-N 3.42Å; K313-N317 PolarHBondContact O-ND2 3.02Å; K313-F336 HydrophobicContact CB-CD1 4.06Å; K313-F336 HydrophobicContact CG-CD1 4.43Å
314	K	97.3	Very high	96.5	Very high	78 Å²	78	52.5 Å²	52.5	34%	0.339	25%	0.251	S	S	.	.	H	α-helix	trans	-61.1	-46.6	173.6	-81.6	-175.2	166	-173	0	111.9	V230 F310 Y311 N317 L318	V230-K314 HydrophobicContact CB-CB 3.94Å; V230-K314 HydrophobicContact CB-CD 4.24Å; V230-K314 HydrophobicContact CG1-CB 3.95Å; V230-K314 HydrophobicContact CG2-CB 4.35Å; V230-K314 HydrophobicContact CG2-CD 4.2Å; F310-K314 HydrophobicContact CD1-CD 4.4Å; F310-K314 HydrophobicContact CE1-CD 3.93Å; F310-K314 HydrophobicContact CZ-CD 4.09Å; F310-K314 PolarHBondContact O-N 2.76Å; Y311-K314 PolarHBondContact O-N 3.15Å; K314-N317 PolarHBondContact O-N 3.49Å; K314-L318 PolarHBondContact O-N 3.41Å
315	L	97.9	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-40.1	-179.7	-167.5	71.2	0	0	0	111.5	F174 L177 V226 L229 V230 F304 Y311 Q312 N317 L318 Y319	F174-L315 HydrophobicContact CE1-CD2 4.11Å; F174-L315 HydrophobicContact CE1-CG 3.97Å; F174-L315 HydrophobicContact CZ-CB 4.26Å; F174-L315 HydrophobicContact CZ-CD2 4.02Å; F174-L315 HydrophobicContact CZ-CG 3.98Å; L177-L315 HydrophobicContact CD2-CD1 4.03Å; L177-L315 HydrophobicContact CD2-CD2 3.82Å; L177-L315 HydrophobicContact CD2-CG 4.27Å; V226-L315 HydrophobicContact CG1-CB 4.45Å; V226-L315 HydrophobicContact CG1-CD1 4.37Å; V226-L315 HydrophobicContact CG1-CD2 4.05Å; V226-L315 HydrophobicContact CG2-CD2 3.83Å; L229-L315 HydrophobicContact CB-CD1 4.25Å; L229-L315 HydrophobicContact CD1-CD1 4.21Å; V230-L315 HydrophobicContact CG1-CB 3.97Å; V230-L315 HydrophobicContact CG1-CD1 3.79Å; F304-L315 HydrophobicContact CE1-CD2 3.73Å; F304-L315 HydrophobicContact CZ-CD2 3.61Å; Y311-L315 WeakPolarHBondContact O-CB 3.38Å; Y311-L315 PolarHBondContact O-N 2.94Å; Q312-L315 PolarHBondContact O-N 2.95Å; L315-N317 PolarHBondContact O-N 3.11Å; L315-L318 HydrophobicContact CD1-CD2 4.39Å; L315-L318 WeakPolarHBondContact O-CB 3.4Å; L315-L318 PolarHBondContact O-N 3.08Å; L315-L318 VanDerWaalsContact O-N 3.17Å; L315-Y319 HydrophobicContact CD1-CD2 4.25Å; L315-Y319 HydrophobicContact CD1-CE2 3.8Å; L315-Y319 HydrophobicContact CG-CD2 4.3Å; L315-Y319 HydrophobicContact CG-CE2 4.28Å; L315-Y319 WeakPolarHBondContact O-CD2 3.46Å; L315-Y319 PolarHBondContact O-N 3.05Å; L315-Y319 VanDerWaalsContact O-N 3.17Å
316	Y	97.9	Very high	96.8	Very high	40 Å²	40	47 Å²	47	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-45.8	173.5	178.3	-99.7	0	0	0	111.1	Q312 L318 Y319 R320 F323 A330 L334 F336	Q312-Y316 WeakPolarHBondContact O-CB 3.03Å; Q312-Y316 PolarHBondContact O-N 2.87Å; Y316-L318 VanDerWaalsContact C-N 3.25Å; Y316-L318 PolarHBondContact O-N 2.7Å; Y316-Y319 CarbonylContact O-C 3.26Å; Y316-Y319 PolarHBondContact O-N 3.05Å; Y316-R320 HydrophobicContact CE1-CG 4.28Å; Y316-R320 WeakPolarHBondContact O-CA 3.42Å; Y316-R320 WeakPolarHBondContact O-CB 3.18Å; Y316-R320 PolarHBondContact O-N 3.32Å; Y316-F323 AromaticContact CD2-CD2 3.95Å; Y316-F323 HydrophobicContact CD2-CD2 3.95Å; Y316-F323 AromaticContact CD2-CE2 3.73Å; Y316-F323 HydrophobicContact CD2-CE2 3.73Å; Y316-F323 HydrophobicContact CD2-CZ 4.21Å; Y316-F323 HydrophobicContact CE2-CB 4.49Å; Y316-F323 HydrophobicContact CE2-CD1 4.25Å; Y316-F323 AromaticContact CE2-CD2 3.64Å; Y316-F323 HydrophobicContact CE2-CD2 3.64Å; Y316-F323 HydrophobicContact CE2-CE1 4.43Å; Y316-F323 AromaticContact CE2-CE2 3.83Å; Y316-F323 HydrophobicContact CE2-CE2 3.83Å; Y316-F323 AromaticContact CE2-CG 3.87Å; Y316-F323 HydrophobicContact CE2-CG 3.87Å; Y316-F323 HydrophobicContact CE2-CZ 4.24Å; Y316-A330 HydrophobicContact CE2-CB 3.73Å; Y316-L334 HydrophobicContact CD2-CD1 4.25Å; Y316-F336 HydrophobicContact CD1-CE1 4.48Å; Y316-F336 AromaticContact CD1-CZ 3.93Å; Y316-F336 HydrophobicContact CD1-CZ 3.93Å; Y316-F336 HydrophobicContact CD2-CZ 4.02Å; Y316-F336 HydrophobicContact CE1-CZ 4.49Å; Y316-F336 HydrophobicContact CG-CE1 4.13Å; Y316-F336 AromaticContact CG-CZ 3.66Å; Y316-F336 HydrophobicContact CG-CZ 3.66Å
317	N	97.3	Very high	97.2	Very high	95 Å²	95	45.6 Å²	45.6	51%	0.508	22%	0.218	S	C	.	.	H	α-helix	trans	-60.3	-34.3	175.6	-74.4	-24.1	0	0	0	112.9	K313 K314 L315	K313-N317 WeakPolarHBondContact O-CB 3.41Å; K313-N317 VanDerWaalsContact O-CG 3.29Å; K313-N317 PolarHBondContact O-N 3.42Å; K313-N317 PolarHBondContact O-ND2 3.02Å; K314-N317 PolarHBondContact O-N 3.49Å; L315-N317 PolarHBondContact O-N 3.11Å
318	L	97.8	Very high	97.3	Very high	30 Å²	30	46.6 Å²	46.6	16%	0.157	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-41.2	176.6	179.9	61.7	0	0	0	112.7	L229 Q235 F240 R246 K314 L315 Y316	L229-L318 HydrophobicContact CB-CD2 4.22Å; Q235-L318 VanDerWaalsContact NE2-CD1 3.29Å; F240-L318 HydrophobicContact CE2-CD1 4.03Å; F240-L318 HydrophobicContact CE2-CD2 3.9Å; F240-L318 HydrophobicContact CE2-CG 4.38Å; F240-L318 HydrophobicContact CZ-CD1 4.44Å; F240-L318 HydrophobicContact CZ-CD2 3.99Å; R246-L318 WeakPolarHBondContact CD-O 3.47Å; K314-L318 PolarHBondContact O-N 3.41Å; L315-L318 HydrophobicContact CD1-CD2 4.39Å; L315-L318 WeakPolarHBondContact O-CB 3.4Å; L315-L318 PolarHBondContact O-N 3.08Å; L315-L318 VanDerWaalsContact O-N 3.17Å; Y316-L318 VanDerWaalsContact C-N 3.25Å; Y316-L318 PolarHBondContact O-N 2.7Å
319	Y	98.3	Very high	97.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-96.8	1.4	179	-67	-82.4	0	0	0	114.2	P173 F174 L177 W244 R246 L315 Y316 M321 D322 F323	P173-Y319 HydrophobicContact CB-CG 4.42Å; F174-Y319 AromaticContact CE1-CD2 3.96Å; F174-Y319 HydrophobicContact CE1-CD2 3.96Å; F174-Y319 HydrophobicContact CE1-CG 4.45Å; L177-Y319 HydrophobicContact CD2-CE2 4Å; W244-Y319 WeakPolarHBondContact O-CE1 3.33Å; W244-Y319 PolarHBondContact O-OH 3.12Å; R246-Y319 HydrophobicContact CB-CD1 4.36Å; R246-Y319 HydrophobicContact CG-CD1 3.56Å; R246-Y319 HydrophobicContact CG-CE1 3.7Å; R246-Y319 HydrophobicContact CG-CG 4.38Å; L315-Y319 HydrophobicContact CD1-CD2 4.25Å; L315-Y319 HydrophobicContact CD1-CE2 3.8Å; L315-Y319 HydrophobicContact CG-CD2 4.3Å; L315-Y319 HydrophobicContact CG-CE2 4.28Å; L315-Y319 WeakPolarHBondContact O-CD2 3.46Å; L315-Y319 PolarHBondContact O-N 3.05Å; L315-Y319 VanDerWaalsContact O-N 3.17Å; Y316-Y319 CarbonylContact O-C 3.26Å; Y316-Y319 PolarHBondContact O-N 3.05Å; Y319-M321 PolarHBondContact O-N 3.24Å; Y319-D322 WeakPolarHBondContact O-CB 3.29Å; Y319-D322 PolarHBondContact O-N 3.16Å; Y319-F323 PolarHBondContact O-N 2.98Å
320	R	97.5	Very high	97.2	Very high	117 Å²	117	48.9 Å²	48.9	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-50.2	-37.2	-171.7	-177.4	178.5	176.4	-134	-2.6	114	Y316 F323 L324	Y316-R320 HydrophobicContact CE1-CG 4.28Å; Y316-R320 WeakPolarHBondContact O-CA 3.42Å; Y316-R320 WeakPolarHBondContact O-CB 3.18Å; Y316-R320 PolarHBondContact O-N 3.32Å; R320-F323 WeakPolarHBondContact O-CB 3.32Å; R320-F323 PolarHBondContact O-N 3.27Å; R320-L324 HydrophobicContact CG-CD1 3.98Å; R320-L324 HydrophobicContact CG-CG 4.43Å; R320-L324 WeakPolarHBondContact O-CG 3.42Å; R320-L324 PolarHBondContact O-N 3.08Å
321	M	97.3	Very high	97.1	Very high	46 Å²	46	44.3 Å²	44.3	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-33.3	178	-70.8	-53.4	-54.9	0	0	113.1	Y79 T80 H248 Y319 L324 L325	Y79-M321 HydrophobicContact CG-CE 4.32Å; T80-M321 HydrophobicContact CG2-CE 4.42Å; H248-M321 VanDerWaalsContact CE1-CB 3.49Å; H248-M321 WeakPolarHBondContact CE1-CB 3.43Å; Y319-M321 PolarHBondContact O-N 3.24Å; M321-L324 PolarHBondContact O-N 2.77Å; M321-L324 HydrophobicContact SD-CD1 4.25Å; M321-L325 HydrophobicContact CB-CD1 4.36Å; M321-L325 HydrophobicContact CE-CD1 3.96Å; M321-L325 HydrophobicContact CE-CD2 4.28Å; M321-L325 HydrophobicContact CE-CG 3.98Å; M321-L325 WeakPolarHBondContact O-CB 3.45Å; M321-L325 WeakPolarHBondContact O-CD1 3.27Å; M321-L325 WeakPolarHBondContact O-CG 3.2Å; M321-L325 PolarHBondContact O-N 2.95Å
322	D	98.3	Very high	96.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-68.7	-36.5	173.8	-68.2	-16.4	0	0	0	111.2	P173 R246 V247 H248 Y319 F326	P173-D322 HydrophobicContact CG-CB 3.77Å; R246-D322 VanDerWaalsContact CA-OD2 3.3Å; R246-D322 WeakPolarHBondContact CA-OD2 3.47Å; R246-D322 WeakPolarHBondContact CB-OD2 3.25Å; V247-D322 VanDerWaalsContact N-CG 3.29Å; V247-D322 PolarHBondContact N-OD1 3.14Å; V247-D322 VanDerWaalsContact N-OD1 3.08Å; V247-D322 PolarHBondContact N-OD2 3.42Å; H248-D322 IonicContact CE1-OD1 3.41Å; H248-D322 IonicContact CG-OD1 3.15Å; H248-D322 PolarHBondContact N-OD1 3.11Å; H248-D322 IonicContact ND1-OD1 3.76Å; H248-D322 PolarHBondContact ND1-OD1 3.35Å; Y319-D322 WeakPolarHBondContact O-CB 3.29Å; Y319-D322 PolarHBondContact O-N 3.16Å; D322-F326 HydrophobicContact CB-CD2 4.34Å; D322-F326 WeakPolarHBondContact O-CB 3.42Å; D322-F326 VanDerWaalsContact O-CD2 3.31Å; D322-F326 WeakPolarHBondContact O-CD2 3.46Å; D322-F326 PolarHBondContact O-N 3.29Å
323	F	98	Very high	96.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-49.1	173.1	-75.4	-80.7	0	0	0	111.7	E172 P173 F174 Y316 Y319 R320 N327 Y328 P331	E172-F323 WeakPolarHBondContact OE1-CE1 3.37Å; E172-F323 WeakPolarHBondContact OE1-CZ 3.05Å; P173-F323 HydrophobicContact CB-CD2 4.3Å; P173-F323 HydrophobicContact CB-CE1 4.47Å; P173-F323 HydrophobicContact CB-CE2 3.71Å; P173-F323 HydrophobicContact CB-CZ 3.8Å; P173-F323 HydrophobicContact CG-CD1 4.16Å; P173-F323 HydrophobicContact CG-CD2 3.86Å; P173-F323 HydrophobicContact CG-CE1 4Å; P173-F323 HydrophobicContact CG-CE2 3.72Å; P173-F323 HydrophobicContact CG-CG 4.08Å; P173-F323 HydrophobicContact CG-CZ 3.79Å; F174-F323 HydrophobicContact CD1-CE2 4.26Å; F174-F323 HydrophobicContact CD1-CZ 4.11Å; F174-F323 HydrophobicContact CE1-CE2 4.05Å; F174-F323 HydrophobicContact CE1-CZ 4.27Å; F174-F323 HydrophobicContact CG-CZ 4.26Å; F174-F323 HydrophobicContact CZ-CE2 4.43Å; Y316-F323 AromaticContact CD2-CD2 3.95Å; Y316-F323 HydrophobicContact CD2-CD2 3.95Å; Y316-F323 AromaticContact CD2-CE2 3.73Å; Y316-F323 HydrophobicContact CD2-CE2 3.73Å; Y316-F323 HydrophobicContact CD2-CZ 4.21Å; Y316-F323 HydrophobicContact CE2-CB 4.49Å; Y316-F323 HydrophobicContact CE2-CD1 4.25Å; Y316-F323 AromaticContact CE2-CD2 3.64Å; Y316-F323 HydrophobicContact CE2-CD2 3.64Å; Y316-F323 HydrophobicContact CE2-CE1 4.43Å; Y316-F323 AromaticContact CE2-CE2 3.83Å; Y316-F323 HydrophobicContact CE2-CE2 3.83Å; Y316-F323 AromaticContact CE2-CG 3.87Å; Y316-F323 HydrophobicContact CE2-CG 3.87Å; Y316-F323 HydrophobicContact CE2-CZ 4.24Å; Y319-F323 PolarHBondContact O-N 2.98Å; R320-F323 WeakPolarHBondContact O-CB 3.32Å; R320-F323 PolarHBondContact O-N 3.27Å; F323-N327 PolarHBondContact O-N 3.32Å; F323-Y328 PolarHBondContact O-N 3.36Å; F323-P331 HydrophobicContact CE1-CG 4.19Å; F323-P331 HydrophobicContact CZ-CG 4.33Å
324	L	97.1	Very high	96.3	Very high	42 Å²	42	44.8 Å²	44.8	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-50.5	-178	-67.6	170.2	0	0	0	112.6	Y79 R320 M321 F326	Y79-L324 HydrophobicContact CD1-CD1 4.38Å; Y79-L324 HydrophobicContact CD2-CB 4.22Å; Y79-L324 HydrophobicContact CD2-CD1 4.06Å; Y79-L324 HydrophobicContact CE1-CD1 4.22Å; Y79-L324 HydrophobicContact CE2-CB 4.04Å; Y79-L324 HydrophobicContact CE2-CD1 3.88Å; Y79-L324 HydrophobicContact CE2-CD2 4.04Å; Y79-L324 HydrophobicContact CE2-CG 4.21Å; Y79-L324 HydrophobicContact CG-CD1 4.32Å; R320-L324 HydrophobicContact CG-CD1 3.98Å; R320-L324 HydrophobicContact CG-CG 4.43Å; R320-L324 WeakPolarHBondContact O-CG 3.42Å; R320-L324 PolarHBondContact O-N 3.08Å; M321-L324 PolarHBondContact O-N 2.77Å; M321-L324 HydrophobicContact SD-CD1 4.25Å; L324-F326 VanDerWaalsContact C-N 3.3Å; L324-F326 PolarHBondContact O-N 3.49Å
325	L	97.7	Very high	95.7	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-68.2	-27.9	-173.5	-69.4	169.7	0	0	0	113.2	L72 A75 C76 H248 P253 M321	L72-L325 HydrophobicContact CD1-CB 3.81Å; L72-L325 HydrophobicContact CD1-CD2 4.09Å; L72-L325 HydrophobicContact CD1-CG 4.49Å; L72-L325 VanDerWaalsContact CD1-O 3.26Å; L72-L325 WeakPolarHBondContact CD1-O 3.46Å; A75-L325 HydrophobicContact CB-CD2 3.87Å; C76-L325 HydrophobicContact CB-CD2 4.43Å; C76-L325 VanDerWaalsContact SG-CD2 3.59Å; H248-L325 HydrophobicContact CB-CD1 3.47Å; H248-L325 VanDerWaalsContact CB-CD1 3.47Å; P253-L325 HydrophobicContact CG-CD1 4.32Å; M321-L325 HydrophobicContact CB-CD1 4.36Å; M321-L325 HydrophobicContact CE-CD1 3.96Å; M321-L325 HydrophobicContact CE-CD2 4.28Å; M321-L325 HydrophobicContact CE-CG 3.98Å; M321-L325 WeakPolarHBondContact O-CB 3.45Å; M321-L325 WeakPolarHBondContact O-CD1 3.27Å; M321-L325 WeakPolarHBondContact O-CG 3.2Å; M321-L325 PolarHBondContact O-N 2.95Å
326	F	98	Very high	95	Very high	9 Å²	9	50.8 Å²	50.8	4%	0.039	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	14.9	-175.7	-57.4	-59.5	0	0	0	113.9	L72 L168 V170 V247 P253 V261 K263 D322 L324 Y328	L72-F326 HydrophobicContact CD1-CD1 4.34Å; L72-F326 HydrophobicContact CD1-CE1 3.96Å; L72-F326 HydrophobicContact CD2-CE1 4.36Å; L168-F326 HydrophobicContact CD1-CE1 4.14Å; L168-F326 HydrophobicContact CD1-CZ 4.05Å; V170-F326 HydrophobicContact CB-CB 4.49Å; V170-F326 HydrophobicContact CB-CD1 4.28Å; V170-F326 HydrophobicContact CB-CD2 4.31Å; V170-F326 HydrophobicContact CB-CG 4.08Å; V170-F326 HydrophobicContact CG1-CD1 3.72Å; V170-F326 HydrophobicContact CG1-CD2 4.08Å; V170-F326 HydrophobicContact CG1-CE1 3.67Å; V170-F326 HydrophobicContact CG1-CE2 4.06Å; V170-F326 HydrophobicContact CG1-CG 3.93Å; V170-F326 HydrophobicContact CG1-CZ 3.84Å; V170-F326 HydrophobicContact CG2-CB 3.88Å; V170-F326 HydrophobicContact CG2-CD1 3.96Å; V170-F326 HydrophobicContact CG2-CG 3.87Å; V247-F326 HydrophobicContact CB-CE2 3.77Å; V247-F326 HydrophobicContact CB-CZ 4.44Å; V247-F326 HydrophobicContact CG1-CD2 4.46Å; V247-F326 HydrophobicContact CG1-CE2 3.57Å; V247-F326 HydrophobicContact CG1-CZ 3.78Å; P253-F326 HydrophobicContact CG-CZ 4.02Å; V261-F326 HydrophobicContact CG1-CD1 4.03Å; V261-F326 HydrophobicContact CG1-CE1 4.36Å; K263-F326 WeakPolarHBondContact CE-O 3.43Å; K263-F326 PolarHBondContact NZ-O 3.44Å; D322-F326 HydrophobicContact CB-CD2 4.34Å; D322-F326 WeakPolarHBondContact O-CB 3.42Å; D322-F326 VanDerWaalsContact O-CD2 3.31Å; D322-F326 WeakPolarHBondContact O-CD2 3.46Å; D322-F326 PolarHBondContact O-N 3.29Å; L324-F326 VanDerWaalsContact C-N 3.3Å; L324-F326 PolarHBondContact O-N 3.49Å; F326-Y328 HydrophobicContact CB-CD2 3.81Å; F326-Y328 HydrophobicContact CB-CE2 3.64Å
327	N	97.4	Very high	93.4	Very high	103 Å²	103	62.6 Å²	62.6	55%	0.551	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	64.7	-178.9	-163.6	14.1	0	0	0	112.5	L71 K263 F323	L71-N327 HydrophobicContact CD1-CB 3.63Å; L71-N327 WeakPolarHBondContact CD1-ND2 3.26Å; L71-N327 HydrophobicContact CD2-CB 3.76Å; L71-N327 HydrophobicContact CG-CB 4.39Å; K263-N327 PolarHBondContact NZ-O 3.19Å; F323-N327 PolarHBondContact O-N 3.32Å
328	Y	97.8	Very high	93.2	Very high	27 Å²	27	61 Å²	61	11%	0.106	31%	0.307	C	S	.	.			trans	-112.5	130.3	166.2	-67.6	-75.7	0	0	0	109.2	V170 R171 E172 K263 E265 F323 F326	V170-Y328 HydrophobicContact CG2-CE2 4.07Å; R171-Y328 VanDerWaalsContact C-OH 3.29Å; R171-Y328 VanDerWaalsContact CA-OH 3.23Å; R171-Y328 WeakPolarHBondContact CA-OH 3.4Å; R171-Y328 PolarHBondContact N-OH 3.37Å; E172-Y328 HydrophobicContact CB-CD1 4Å; E172-Y328 HydrophobicContact CB-CE1 4.03Å; E172-Y328 HydrophobicContact CG-CD1 4.19Å; E172-Y328 VanDerWaalsContact N-CZ 3.29Å; E172-Y328 PolarHBondContact N-OH 3.41Å; K263-Y328 HydrophobicContact CD-CE1 4.13Å; K263-Y328 WeakPolarHBondContact CD-OH 2.92Å; E265-Y328 PolarHBondContact OE2-OH 3.41Å; F323-Y328 PolarHBondContact O-N 3.36Å; F326-Y328 HydrophobicContact CB-CD2 3.81Å; F326-Y328 HydrophobicContact CB-CE2 3.64Å
329	S	95.4	Very high	93	Very high	101 Å²	101	62.6 Å²	62.6	71%	0.706	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-65.6	150.3	170	-54.1	0	0	0	0	110.7	P331	S329-P331 WeakPolarHBondContact O-CD 3.35Å
330	A	93.8	Very high	92.7	Very high	40 Å²	40	66.1 Å²	66.1	33%	0.331	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-59.6	129	166.7	0	0	0	0	0	109.4	Y316 A332 F336	Y316-A330 HydrophobicContact CE2-CB 3.73Å; A330-A332 PolarHBondContact O-N 2.8Å; A330-F336 HydrophobicContact CB-CE2 4.38Å
331	P	93.3	Very high	92.4	Very high	20 Å²	20	63.1 Å²	63.1	13%	0.13	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-60.9	132.6	-177.1	-23.7	30.1	0	0	0	112.6	F174 F323 S329 Y333 L334	F174-P331 HydrophobicContact CD2-CG 4.23Å; F323-P331 HydrophobicContact CE1-CG 4.19Å; F323-P331 HydrophobicContact CZ-CG 4.33Å; S329-P331 WeakPolarHBondContact O-CD 3.35Å; P331-Y333 HydrophobicContact CB-CD1 3.85Å; P331-Y333 HydrophobicContact CB-CD2 4.31Å; P331-Y333 HydrophobicContact CB-CE1 3.39Å; P331-Y333 HydrophobicContact CB-CE2 3.89Å; P331-Y333 HydrophobicContact CB-CG 4.29Å; P331-Y333 HydrophobicContact CG-CE1 4.34Å; P331-Y333 PolarHBondContact O-N 2.82Å; P331-Y333 VanDerWaalsContact O-N 3.14Å; P331-L334 HydrophobicContact CB-CD1 4.36Å; P331-L334 HydrophobicContact CB-CG 4.18Å; P331-L334 HydrophobicContact CG-CD1 4.21Å; P331-L334 WeakPolarHBondContact O-CB 3.29Å; P331-L334 WeakPolarHBondContact O-CG 3.28Å; P331-L334 PolarHBondContact O-N 2.67Å
332	A	92.1	Very high	92.1	Very high	110 Å²	110	64.2 Å²	64.2	91%	0.909	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.3	-173.2	0	0	0	0	0	114.3	A330 L334	A330-A332 PolarHBondContact O-N 2.8Å; A332-L334 PolarHBondContact O-N 3.06Å
333	Y	91	Very high	91.7	Very high	59 Å²	59	68.4 Å²	68.4	23%	0.231	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-8.2	174.3	57.1	-105.4	0	0	0	113.5	A301 F304 P331	A301-Y333 HydrophobicContact CB-CD1 3.47Å; A301-Y333 VanDerWaalsContact CB-CD1 3.47Å; A301-Y333 HydrophobicContact CB-CD2 4.25Å; A301-Y333 HydrophobicContact CB-CE1 3.98Å; A301-Y333 HydrophobicContact CB-CG 3.62Å; F304-Y333 HydrophobicContact CB-CD2 3.94Å; F304-Y333 HydrophobicContact CB-CE2 3.84Å; F304-Y333 HydrophobicContact CD1-CE2 4.19Å; F304-Y333 HydrophobicContact CD2-CE2 4.15Å; F304-Y333 HydrophobicContact CG-CD2 4.37Å; F304-Y333 AromaticContact CG-CE2 3.81Å; F304-Y333 HydrophobicContact CG-CE2 3.81Å; P331-Y333 HydrophobicContact CB-CD1 3.85Å; P331-Y333 HydrophobicContact CB-CD2 4.31Å; P331-Y333 HydrophobicContact CB-CE1 3.39Å; P331-Y333 HydrophobicContact CB-CE2 3.89Å; P331-Y333 HydrophobicContact CB-CG 4.29Å; P331-Y333 HydrophobicContact CG-CE1 4.34Å; P331-Y333 PolarHBondContact O-N 2.82Å; P331-Y333 VanDerWaalsContact O-N 3.14Å
334	L	90.3	Very high	91.3	Very high	19 Å²	19	73.1 Å²	73.1	10%	0.099	38%	0.379	C	S	.	.			trans	-77.2	129.2	179.7	-61.2	179.9	0	0	0	112.3	F174 F304 Q312 Y316 P331 A332 F336	F174-L334 HydrophobicContact CD2-CD1 4.11Å; F174-L334 HydrophobicContact CD2-CD2 4.06Å; F174-L334 HydrophobicContact CE2-CD1 3.54Å; F174-L334 HydrophobicContact CE2-CD2 3.72Å; F174-L334 HydrophobicContact CE2-CG 4.24Å; F174-L334 HydrophobicContact CZ-CD1 4.48Å; F304-L334 HydrophobicContact CD1-CD2 3.53Å; F304-L334 HydrophobicContact CE1-CD2 3.88Å; F304-L334 HydrophobicContact CG-CD2 4.37Å; Q312-L334 HydrophobicContact CB-CD2 4.38Å; Q312-L334 HydrophobicContact CG-CD2 4.45Å; Y316-L334 HydrophobicContact CD2-CD1 4.25Å; P331-L334 HydrophobicContact CB-CD1 4.36Å; P331-L334 HydrophobicContact CB-CG 4.18Å; P331-L334 HydrophobicContact CG-CD1 4.21Å; P331-L334 WeakPolarHBondContact O-CB 3.29Å; P331-L334 WeakPolarHBondContact O-CG 3.28Å; P331-L334 PolarHBondContact O-N 2.67Å; A332-L334 PolarHBondContact O-N 3.06Å; L334-F336 HydrophobicContact CB-CD1 4.4Å; L334-F336 HydrophobicContact CB-CE1 3.86Å; L334-F336 HydrophobicContact CB-CE2 4.4Å; L334-F336 HydrophobicContact CB-CZ 3.87Å; L334-F336 HydrophobicContact CD1-CE1 3.87Å; L334-F336 HydrophobicContact CD1-CZ 3.56Å; L334-F336 HydrophobicContact CG-CE1 4.46Å; L334-F336 HydrophobicContact CG-CZ 4.38Å
335	K	86.3	Confident	90.8	Very high	126 Å²	126	75.5 Å²	75.5	55%	0.548	39%	0.391	S	S	.	.			trans	-101.5	104.8	176.9	-61	174.5	-172.6	171.5	0	107.6	P309	P309-K335 WeakPolarHBondContact CA-O 3.42Å; P309-K335 WeakPolarHBondContact CB-O 3.42Å; P309-K335 HydrophobicContact CG-CB 4.11Å
336	F	81.8	Confident	90.3	Very high	77 Å²	77	81.7 Å²	81.7	34%	0.338	42%	0.423	S	S	.	.			trans	-98.6	8.1	177.4	-61.3	-39.3	0	0	0	113.9	K313 Y316 A330 L334	K313-F336 HydrophobicContact CB-CD1 4.06Å; K313-F336 HydrophobicContact CG-CD1 4.43Å; Y316-F336 HydrophobicContact CD1-CE1 4.48Å; Y316-F336 AromaticContact CD1-CZ 3.93Å; Y316-F336 HydrophobicContact CD1-CZ 3.93Å; Y316-F336 HydrophobicContact CD2-CZ 4.02Å; Y316-F336 HydrophobicContact CE1-CZ 4.49Å; Y316-F336 HydrophobicContact CG-CE1 4.13Å; Y316-F336 AromaticContact CG-CZ 3.66Å; Y316-F336 HydrophobicContact CG-CZ 3.66Å; A330-F336 HydrophobicContact CB-CE2 4.38Å; L334-F336 HydrophobicContact CB-CD1 4.4Å; L334-F336 HydrophobicContact CB-CE1 3.86Å; L334-F336 HydrophobicContact CB-CE2 4.4Å; L334-F336 HydrophobicContact CB-CZ 3.87Å; L334-F336 HydrophobicContact CD1-CE1 3.87Å; L334-F336 HydrophobicContact CD1-CZ 3.56Å; L334-F336 HydrophobicContact CG-CE1 4.46Å; L334-F336 HydrophobicContact CG-CZ 4.38Å
337	R	66.1	Low	89.6	Confident	289 Å²	289	88.3 Å²	88.3	100%	1.091	46%	0.458	S	S	*	.			trans	-124.2	0	179	-65.6	-175.9	179.7	-176.8	0.1	108.8

Retrieved 337 of 337 residues in 2369 ms (Link to these results)

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