A0A093KFE1_STRCA Loading...

Peptidase inhibitor 15

AlphaFold DB , UniProt , Accession A0A093KFE1, Species STRCA (Struthio camelus australis), Gene n/a, Length 258 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	35.4	Very low	33.8	Very low	236 Å²	236	135.7 Å²	135.7	100%	1.163	83%	0.829	S	S	*	*				0	117.7	0	-80.9	166.3	175.3	0	0	108.3
2	T	32.3	Very low	33.7	Very low	134 Å²	134	138.5 Å²	138.5	82%	0.822	83%	0.834	S	S	*	*			trans	51.2	102.4	151	54	0	0	0	0	121.1
3	A	30.8	Very low	33.7	Very low	99 Å²	99	141.9 Å²	141.9	82%	0.818	83%	0.831	S	S	*	*				38.4	123.7	124	0	0	0	0	0	121.2
4	I	35.9	Very low	33.6	Very low	175 Å²	175	139 Å²	139	90%	0.897	82%	0.822	S	S	*	*			trans	-138.2	132.6	141.8	-58.7	-177.8	0	0	0	109.5
5	S	34	Very low	33.8	Very low	103 Å²	103	139.8 Å²	139.8	72%	0.72	82%	0.819	S	S	*	*			trans	-91.6	148.4	-176.4	40.4	0	0	0	0	113.9
6	A	35.8	Very low	33.8	Very low	98 Å²	98	141.4 Å²	141.4	81%	0.81	82%	0.822	S	S	*	*			trans	-157.3	110	157.7	0	0	0	0	0	106.6
7	I	34.6	Very low	33.6	Very low	151 Å²	151	139.9 Å²	139.9	77%	0.774	82%	0.82	S	S	*	*				62.1	105.4	66.9	-55.7	-176.6	0	0	0	114.6
8	S	30.9	Very low	33.5	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	82%	0.821	S	S	*	*			trans	58.5	123.4	144.1	-63.4	0	0	0	0	122
9	C	31.7	Very low	33.6	Very low	109 Å²	109	141.2 Å²	141.2	74%	0.736	82%	0.818	S	S	*	*				179.7	102.2	100.6	-111.6	0	0	0	0	109.8
10	A	35.1	Very low	33.6	Very low	101 Å²	101	139.3 Å²	139.3	84%	0.835	81%	0.813	S	S	*	*			trans	-87.6	109.4	166.3	0	0	0	0	0	108.3	L12	A10-L12 PolarHBondContact O-N 3.38Å
11	F	35.5	Very low	33.6	Very low	178 Å²	178	137 Å²	137	78%	0.781	81%	0.811	S	S	*	*			trans	-74.6	111	170.8	-85.6	-85.9	0	0	0	109.4	F13	F11-F13 PolarHBondContact O-N 3.37Å
12	L	32.4	Very low	33.5	Very low	169 Å²	169	133.4 Å²	133.4	89%	0.885	79%	0.794	S	S	*	*			trans	-74.1	107.2	165.9	-80	158.3	0	0	0	108.7	A10	A10-L12 PolarHBondContact O-N 3.38Å
13	F	34.1	Very low	33.6	Very low	183 Å²	183	131.1 Å²	131.1	80%	0.803	79%	0.789	S	S	*	*			trans	-100.9	105.1	159.8	-100.6	-85.4	0	0	0	108.6	F11	F11-F13 PolarHBondContact O-N 3.37Å
14	S	31.7	Very low	33.5	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	79%	0.792	S	S	*	*			trans	-72.2	134.5	160.5	37.3	0	0	0	0	109.4
15	I	36.8	Very low	33.5	Very low	151 Å²	151	132 Å²	132	77%	0.774	79%	0.787	S	S	*	*			trans	-162.2	107.2	142.3	-87.5	138.8	0	0	0	107.6
16	L	33.4	Very low	33.3	Very low	166 Å²	166	134.5 Å²	134.5	87%	0.869	79%	0.793	S	S	*	*			trans	20.1	102.6	143.4	-60.3	160.3	0	0	0	117.3
17	C	31.1	Very low	33.5	Very low	116 Å²	116	134.2 Å²	134.2	78%	0.784	79%	0.785	S	S	*	*			trans	-94.2	109.5	154.6	-167.4	0	0	0	0	107	T19	C17-T19 PolarHBondContact O-N 3.23Å
18	E	32.3	Very low	33.5	Very low	180 Å²	180	132.9 Å²	132.9	84%	0.841	78%	0.784	S	S	*	*			trans	-62.1	102.1	171.1	-75	-176.3	159.2	0	0	109.2	S20	E18-S20 PolarHBondContact O-N 3.04Å
19	T	34.3	Very low	33.6	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	78%	0.783	S	S	*	*			trans	-86.5	97.3	163.6	54	0	0	0	0	107.5	C17 A21	C17-T19 PolarHBondContact O-N 3.23Å; T19-A21 PolarHBondContact O-N 3.26Å
20	S	33.2	Very low	33.6	Very low	103 Å²	103	136.5 Å²	136.5	72%	0.72	79%	0.787	S	S	*	*			trans	-73.5	84.1	163.9	-54.1	0	0	0	0	108.4	E18 I22	E18-S20 PolarHBondContact O-N 3.04Å; S20-I22 PolarHBondContact O-N 2.8Å
21	A	33.9	Very low	33.4	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	79%	0.786	S	S	*	*			trans	-69.5	104.7	160.1	0	0	0	0	0	107.3	T19 A23	T19-A21 PolarHBondContact O-N 3.26Å; A21-A23 PolarHBondContact O-N 3.32Å
22	I	34.1	Very low	33.6	Very low	160 Å²	160	138.8 Å²	138.8	82%	0.821	79%	0.791	S	S	*	*			trans	-86.2	109.2	169.9	-61.3	178.9	0	0	0	106.8	S20	S20-I22 PolarHBondContact O-N 2.8Å
23	A	33.2	Very low	33.9	Very low	85 Å²	85	135.5 Å²	135.5	70%	0.702	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.4	130.7	172.8	0	0	0	0	0	110.5	A21	A21-A23 PolarHBondContact O-N 3.32Å
24	L	30.1	Very low	34.4	Very low	170 Å²	170	134.2 Å²	134.2	89%	0.89	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-69.3	127.6	165	-78.7	153.9	0	0	0	109.2
25	P	35.7	Very low	35.2	Very low	123 Å²	123	133.9 Å²	133.9	80%	0.799	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.3	126.8	156.1	14.3	0.7	0	0	0	109.3
26	N	28.8	Very low	35.6	Very low	156 Å²	156	132.1 Å²	132.1	83%	0.834	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-75.5	150.2	169.1	-142.2	8.1	0	0	0	110
27	S	40.6	Very low	36.3	Very low	92 Å²	92	131.9 Å²	131.9	64%	0.643	77%	0.766	S	S	*	*			trans	-45.4	138.5	-179.9	50.4	0	0	0	0	116.9
28	T	35.4	Very low	37.4	Very low	123 Å²	123	129.9 Å²	129.9	76%	0.755	75%	0.75	S	S	*	*				-171	133.2	106.3	16.9	0	0	0	0	112.2
29	D	32.5	Very low	38.5	Very low	139 Å²	139	125.8 Å²	125.8	74%	0.743	73%	0.734	S	S	*	*			trans	64.9	110.8	151.7	-56	-29.2	0	0	0	120.1
30	L	30.7	Very low	39.6	Very low	155 Å²	155	125.9 Å²	125.9	81%	0.812	73%	0.728	S	S	*	*				-174.9	133.6	90.6	-97.5	169.3	0	0	0	112.6
31	L	31.7	Very low	40.7	Very low	155 Å²	155	126.8 Å²	126.8	81%	0.812	72%	0.721	S	S	*	*			trans	93.1	93.5	155.3	-56.2	166.8	0	0	0	118.4	S33	L31-S33 PolarHBondContact O-N 2.84Å
32	L	39.7	Very low	41.9	Very low	172 Å²	172	126.6 Å²	126.6	90%	0.901	71%	0.711	S	S	*	*			trans	-37.3	109.6	155.5	-71	150.3	0	0	0	112.2
33	S	39.6	Very low	43.1	Very low	99 Å²	99	121.5 Å²	121.5	69%	0.692	69%	0.693	S	S	*	*			trans	-118.9	108.3	151.8	175	0	0	0	0	106.6	L31 S35	L31-S33 PolarHBondContact O-N 2.84Å; S33-S35 PolarHBondContact O-N 3.37Å
34	N	44	Very low	44.3	Very low	157 Å²	157	122.8 Å²	122.8	84%	0.84	69%	0.687	S	S	*	*			trans	-59.7	96.8	174.2	-79	-14.2	0	0	0	109.2
35	S	47.6	Very low	45.6	Very low	94 Å²	94	117.4 Å²	117.4	66%	0.657	67%	0.668	S	S	*	*			trans	-111.2	125.7	163.1	40.2	0	0	0	0	107.5	S33	S33-S35 PolarHBondContact O-N 3.37Å
36	N	45.8	Very low	46.7	Very low	113 Å²	113	114.4 Å²	114.4	60%	0.604	65%	0.653	S	S	*	*			trans	-68.5	142.6	-171.4	-85.5	-26.7	0	0	0	110.2	T38 D39	N36-T38 VanDerWaalsContact CB-OG1 3.26Å; N36-T38 WeakPolarHBondContact CB-OG1 3.36Å; N36-T38 PolarHBondContact O-N 3.05Å; N36-D39 PolarHBondContact N-OD2 2.81Å; N36-D39 WeakPolarHBondContact O-CB 3.31Å; N36-D39 PolarHBondContact O-N 3.48Å
37	F	48	Very low	48.1	Very low	161 Å²	161	114.1 Å²	114.1	71%	0.706	65%	0.646	S	S	*	*	H	α-helix	trans	-53	-27.1	174.9	-175.3	-95.5	0	0	0	113.3	D39 I40 E41	F37-D39 VanDerWaalsContact C-N 3.26Å; F37-D39 PolarHBondContact O-N 3.36Å; F37-I40 PolarHBondContact O-N 2.99Å; F37-E41 HydrophobicContact CE1-CG 4.47Å
38	T	53.7	Low	48.8	Very low	75 Å²	75	115.8 Å²	115.8	46%	0.46	65%	0.648	S	S	.	*	H	α-helix	trans	-61.9	-28.4	173.3	44.7	0	0	0	0	113.7	N36 I40 T42	N36-T38 VanDerWaalsContact CB-OG1 3.26Å; N36-T38 WeakPolarHBondContact CB-OG1 3.36Å; N36-T38 PolarHBondContact O-N 3.05Å; T38-I40 VanDerWaalsContact C-N 3.35Å; T38-I40 PolarHBondContact O-N 2.86Å; T38-T42 VanDerWaalsContact O-CB 3.29Å; T38-T42 WeakPolarHBondContact O-CB 3.49Å; T38-T42 PolarHBondContact O-N 2.73Å; T38-T42 PolarHBondContact O-OG1 3.3Å
39	D	55.3	Low	49.6	Very low	94 Å²	94	116.7 Å²	116.7	50%	0.503	65%	0.647	S	S	.	*	H	α-helix	trans	-74.1	-29.2	-175.2	-63.7	-32.4	0	0	0	111.8	N36 F37 A43	N36-D39 PolarHBondContact N-OD2 2.81Å; N36-D39 WeakPolarHBondContact O-CB 3.31Å; N36-D39 PolarHBondContact O-N 3.48Å; F37-D39 VanDerWaalsContact C-N 3.26Å; F37-D39 PolarHBondContact O-N 3.36Å; D39-A43 WeakPolarHBondContact O-CB 3.07Å; D39-A43 PolarHBondContact O-N 2.97Å
40	I	57.7	Low	50.5	Low	124 Å²	124	114.8 Å²	114.8	64%	0.636	65%	0.645	S	S	*	*	H	α-helix	trans	-77.4	-42.1	176.6	-59.5	176.5	0	0	0	111	F37 T38 T42 A43 L44	F37-I40 PolarHBondContact O-N 2.99Å; T38-I40 VanDerWaalsContact C-N 3.35Å; T38-I40 PolarHBondContact O-N 2.86Å; I40-T42 VanDerWaalsContact C-N 3.3Å; I40-T42 PolarHBondContact O-N 2.93Å; I40-A43 PolarHBondContact O-N 3.46Å; I40-L44 WeakPolarHBondContact O-CB 3.43Å; I40-L44 PolarHBondContact O-N 3.25Å
41	E	56.7	Low	51.6	Low	122 Å²	122	110.1 Å²	110.1	57%	0.57	63%	0.629	S	S	*	*	H	α-helix	trans	-62.4	-38.9	172.1	-85	-169.1	155	0	0	111.6	F37 L44 A45	F37-E41 HydrophobicContact CE1-CG 4.47Å; E41-L44 PolarHBondContact O-N 2.86Å; E41-A45 VanDerWaalsContact O-CB 3.25Å; E41-A45 WeakPolarHBondContact O-CB 2.93Å; E41-A45 PolarHBondContact O-N 3.11Å
42	T	58.1	Low	52.5	Low	89 Å²	89	112 Å²	112	55%	0.546	63%	0.631	S	S	.	*	H	α-helix	trans	-68.7	-38.8	178.2	-52.2	0	0	0	0	111.2	T38 I40 A45 A46	T38-T42 VanDerWaalsContact O-CB 3.29Å; T38-T42 WeakPolarHBondContact O-CB 3.49Å; T38-T42 PolarHBondContact O-N 2.73Å; T38-T42 PolarHBondContact O-OG1 3.3Å; I40-T42 VanDerWaalsContact C-N 3.3Å; I40-T42 PolarHBondContact O-N 2.93Å; T42-A45 PolarHBondContact O-N 2.83Å; T42-A46 VanDerWaalsContact O-CB 3.26Å; T42-A46 WeakPolarHBondContact O-CB 3.41Å; T42-A46 PolarHBondContact O-N 3.38Å
43	A	60.7	Low	53.2	Low	54 Å²	54	110.3 Å²	110.3	45%	0.446	62%	0.621	S	S	.	*	H	α-helix	trans	-67.6	-38	174.5	0	0	0	0	0	112.7	D39 I40 A46 H47	D39-A43 WeakPolarHBondContact O-CB 3.07Å; D39-A43 PolarHBondContact O-N 2.97Å; I40-A43 PolarHBondContact O-N 3.46Å; A43-A46 PolarHBondContact O-N 2.04Å; A43-H47 PolarHBondContact O-N 3.39Å
44	L	58	Low	53.5	Low	111 Å²	111	110.9 Å²	110.9	58%	0.581	62%	0.622	S	S	*	*	H	α-helix	trans	-69.4	-40.6	175.1	-175.6	62	0	0	0	111.8	I40 E41 H47 L48	I40-L44 WeakPolarHBondContact O-CB 3.43Å; I40-L44 PolarHBondContact O-N 3.25Å; E41-L44 PolarHBondContact O-N 2.86Å; L44-H47 PolarHBondContact O-N 2.7Å; L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 2.91Å; L44-L48 VanDerWaalsContact O-N 3.09Å
45	A	57.8	Low	53.7	Low	58 Å²	58	112.5 Å²	112.5	48%	0.479	62%	0.622	S	S	.	*	H	α-helix	trans	-62.9	-42.7	173.4	0	0	0	0	0	111.5	E41 T42 H47 L48 D49	E41-A45 VanDerWaalsContact O-CB 3.25Å; E41-A45 WeakPolarHBondContact O-CB 2.93Å; E41-A45 PolarHBondContact O-N 3.11Å; T42-A45 PolarHBondContact O-N 2.83Å; A45-H47 VanDerWaalsContact C-N 3.33Å; A45-H47 PolarHBondContact O-N 3.12Å; A45-L48 PolarHBondContact O-N 2.89Å; A45-D49 WeakPolarHBondContact O-CB 3.32Å; A45-D49 PolarHBondContact O-N 2.8Å
46	A	59.1	Low	53.7	Low	60 Å²	60	113.5 Å²	113.5	50%	0.496	63%	0.626	S	S	.	*	H	α-helix	trans	-65	-33.9	176.2	0	0	0	0	0	112.8	T42 A43 S50	T42-A46 VanDerWaalsContact O-CB 3.26Å; T42-A46 WeakPolarHBondContact O-CB 3.41Å; T42-A46 PolarHBondContact O-N 3.38Å; A43-A46 PolarHBondContact O-N 2.04Å; A46-S50 PolarHBondContact O-N 2.81Å
47	H	56.4	Low	54.1	Low	150 Å²	150	120 Å²	120	69%	0.694	64%	0.642	S	S	*	*	H	α-helix	trans	-71.1	-34.2	174.5	-103.1	-43.5	0	0	0	113.3	A43 L44 A45	A43-H47 PolarHBondContact O-N 3.39Å; L44-H47 PolarHBondContact O-N 2.7Å; A45-H47 VanDerWaalsContact C-N 3.33Å; A45-H47 PolarHBondContact O-N 3.12Å
48	L	55.6	Low	54.7	Low	127 Å²	127	120.7 Å²	120.7	67%	0.665	64%	0.64	S	S	*	*	H	α-helix	trans	-74.6	-27.2	174.9	-68.2	171.4	0	0	0	112.8	L44 A45	L44-L48 WeakPolarHBondContact O-CG 3.25Å; L44-L48 PolarHBondContact O-N 2.91Å; L44-L48 VanDerWaalsContact O-N 3.09Å; A45-L48 PolarHBondContact O-N 2.89Å
49	D	53.7	Low	55.1	Low	141 Å²	141	126 Å²	126	75%	0.754	66%	0.657	S	S	*	*	H	α-helix	trans	-81.1	-21.5	177.8	-133.1	11	0	0	0	113.1	A45 A51	A45-D49 WeakPolarHBondContact O-CB 3.32Å; A45-D49 PolarHBondContact O-N 2.8Å; D49-A51 VanDerWaalsContact C-N 3.33Å
50	S	51.3	Low	55.5	Low	99 Å²	99	127.8 Å²	127.8	69%	0.692	66%	0.657	S	S	*	*	H	α-helix	trans	-76.2	-21.8	175.1	-167	0	0	0	0	112.7	A46 K52	A46-S50 PolarHBondContact O-N 2.81Å; S50-K52 PolarHBondContact O-N 2.78Å
51	A	52	Low	56.5	Low	58 Å²	58	126.6 Å²	126.6	48%	0.479	65%	0.645	S	S	.	*			trans	-78.3	76	169.1	0	0	0	0	0	110	D49 I53	D49-A51 VanDerWaalsContact C-N 3.33Å; A51-I53 HydrophobicContact CB-CG1 4.36Å; A51-I53 PolarHBondContact O-N 3.2Å
52	K	52	Low	58.2	Low	194 Å²	194	121.5 Å²	121.5	84%	0.843	62%	0.622	S	S	*	*			trans	-64.4	68.4	159.3	-79.2	-180	-179.8	171.1	0	109.4	S50 P54	S50-K52 PolarHBondContact O-N 2.78Å; K52-P54 WeakPolarHBondContact O-CD 3.42Å
53	I	54.1	Low	59.9	Low	136 Å²	136	119.9 Å²	119.9	70%	0.697	61%	0.613	S	S	*	*			trans	-63.7	114.2	161	-60.6	175.9	0	0	0	104.4	A51 K55	A51-I53 HydrophobicContact CB-CG1 4.36Å; A51-I53 PolarHBondContact O-N 3.2Å; I53-K55 PolarHBondContact O-N 2.04Å
54	P	45.6	Very low	61.5	Low	111 Å²	111	120.3 Å²	120.3	72%	0.721	61%	0.606	S	S	*	*			trans	-59.7	109.2	174.8	-16.7	30.4	0	0	0	106.3	K52 P56	K52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-P56 WeakPolarHBondContact O-CD 3.45Å
55	K	48.1	Very low	63.3	Low	191 Å²	191	121 Å²	121	83%	0.83	61%	0.611	S	S	*	*			trans	-59	111.3	165.9	-74.1	-178.7	-178.7	173.6	0	104.5	I53 R57	I53-K55 PolarHBondContact O-N 2.04Å; K55-R57 PolarHBondContact O-N 3.31Å
56	P	47.8	Very low	65.1	Low	115 Å²	115	119.8 Å²	119.8	75%	0.747	60%	0.596	S	S	*	*			trans	-57.5	122.5	177	23.8	-31	0	0	0	105.5	P54 R58	P54-P56 WeakPolarHBondContact O-CD 3.45Å; P56-R58 PolarHBondContact O-N 3.3Å
57	R	53.8	Low	67	Low	249 Å²	249	117.4 Å²	117.4	94%	0.94	58%	0.575	S	S	*	*			trans	-59.9	90.8	168.6	-93.7	-177.6	153	126.7	-4.9	105.8	K55 K59	K55-R57 PolarHBondContact O-N 3.31Å; R57-K59 PolarHBondContact O-N 2.81Å
58	R	61.1	Low	68.9	Low	177 Å²	177	113.2 Å²	113.2	67%	0.668	56%	0.557	S	S	*	*			trans	-60.5	108	175.5	-173.5	176.9	174.3	164.1	1.1	105.3	P56 R60 E102	P56-R58 PolarHBondContact O-N 3.3Å; R58-R60 PolarHBondContact O-N 3.36Å; R58-E102 IonicContact CZ-OE1 3.19Å; R58-E102 IonicContact NE-OE1 2.98Å; R58-E102 PolarHBondContact NE-OE1 3.12Å; R58-E102 IonicContact NH2-OE1 2.65Å; R58-E102 PolarHBondContact NH2-OE1 3.03Å
59	K	61.4	Low	71	Confident	185 Å²	185	108.5 Å²	108.5	80%	0.804	54%	0.536	S	S	*	.			trans	-58.5	114.6	177.2	-173.5	175.3	-179.8	178.7	0	106.5	R57 Y61	R57-K59 PolarHBondContact O-N 2.81Å; K59-Y61 PolarHBondContact O-N 2.99Å
60	R	64.4	Low	73.1	Confident	133 Å²	133	101.8 Å²	101.8	50%	0.502	50%	0.5	S	S	.	.			trans	-55.4	133.1	174.6	-69.5	-175.9	-177	170.3	1.2	107.8	R58 I62	R58-R60 PolarHBondContact O-N 3.36Å; R60-I62 WeakPolarHBondContact CB-O 3.48Å; R60-I62 PolarHBondContact O-N 3.03Å
61	Y	78.8	Confident	75.4	Confident	99 Å²	99	98.2 Å²	98.2	39%	0.388	47%	0.474	S	S	.	.	S	Bend	trans	-73.5	-16.5	-177.3	-80.5	-106.8	0	0	0	112.3	K59 E102 I188 H189	K59-Y61 PolarHBondContact O-N 2.99Å; Y61-E102 HydrophobicContact CD1-CG 4.33Å; Y61-E102 HydrophobicContact CD2-CG 3.44Å; Y61-E102 VanDerWaalsContact CD2-CG 3.44Å; Y61-E102 WeakPolarHBondContact CD2-OE1 3.47Å; Y61-E102 VanDerWaalsContact CE2-CD 3.47Å; Y61-E102 HydrophobicContact CE2-CG 3.9Å; Y61-E102 WeakPolarHBondContact CE2-OE1 3.5Å; Y61-E102 HydrophobicContact CG-CG 3.66Å; Y61-I188 WeakPolarHBondContact O-CG2 3.5Å; Y61-H189 AromaticContact CD1-ND1 3.8Å; Y61-H189 AromaticContact CE1-ND1 3.57Å
62	I	92.3	Very high	77.6	Confident	15 Å²	15	99.7 Å²	99.7	8%	0.077	47%	0.473	C	S	.	.	S	Bend	trans	-117.1	141.7	168.2	-167.1	165.2	0	0	0	110.2	R60 D66 I70 W93 C186	R60-I62 WeakPolarHBondContact CB-O 3.48Å; R60-I62 PolarHBondContact O-N 3.03Å; I62-D66 HydrophobicContact CD1-CB 4.02Å; I62-D66 HydrophobicContact CG1-CB 3.62Å; I62-I70 HydrophobicContact CD1-CD1 3.56Å; I62-W93 HydrophobicContact CD1-CH2 4.14Å; I62-W93 HydrophobicContact CG2-CH2 4.28Å; I62-W93 HydrophobicContact CG2-CZ2 4.08Å; I62-C186 HydrophobicContact CD1-CB 4.31Å
63	S	93.8	Very high	79.8	Confident	54 Å²	54	91.5 Å²	91.5	38%	0.378	44%	0.437	S	S	.	.			trans	-76	156.7	176.4	79.9	0	0	0	0	111.2	N65 D66 M67	S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 PolarHBondContact O-N 3.48Å; S63-D66 PolarHBondContact O-N 3.42Å; S63-D66 WeakPolarHBondContact OG-CB 3.36Å; S63-D66 PolarHBondContact OG-N 3.23Å; S63-D66 VanDerWaalsContact OG-N 3.09Å; S63-D66 PolarHBondContact OG-OD2 2.99Å; S63-M67 WeakPolarHBondContact O-CB 3.42Å; S63-M67 PolarHBondContact O-N 3.38Å
64	Q	93.8	Very high	82	Confident	63 Å²	63	85 Å²	85	29%	0.294	40%	0.404	S	S	.	.	H	α-helix	trans	-58.4	-39.9	175.5	-174.4	69.2	20.5	0	0	111.8	M67 I68	Q64-M67 VanDerWaalsContact CD-CE 3.47Å; Q64-M67 WeakPolarHBondContact O-CB 3.47Å; Q64-M67 PolarHBondContact O-N 3.35Å; Q64-I68 HydrophobicContact CG-CD1 4.08Å; Q64-I68 VanDerWaalsContact O-CG1 3.31Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.1Å
65	N	95.6	Very high	84.5	Confident	127 Å²	127	80.3 Å²	80.3	68%	0.679	37%	0.373	S	S	*	.	H	α-helix	trans	-66.4	-40.4	178.8	-67.5	-9.2	0	0	0	111.5	S63 A69	S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 PolarHBondContact O-N 3.48Å; N65-A69 VanDerWaalsContact O-CB 3.3Å; N65-A69 WeakPolarHBondContact O-CB 3.35Å; N65-A69 PolarHBondContact O-N 3.28Å
66	D	96.9	Very high	86.9	Confident	31 Å²	31	76 Å²	76	17%	0.166	36%	0.355	C	S	.	.	H	α-helix	trans	-68	-40.9	177	-66.3	-42.1	0	0	0	111.3	I62 S63 I68 A69 I70 I135	I62-D66 HydrophobicContact CD1-CB 4.02Å; I62-D66 HydrophobicContact CG1-CB 3.62Å; S63-D66 PolarHBondContact O-N 3.42Å; S63-D66 WeakPolarHBondContact OG-CB 3.36Å; S63-D66 PolarHBondContact OG-N 3.23Å; S63-D66 VanDerWaalsContact OG-N 3.09Å; S63-D66 PolarHBondContact OG-OD2 2.99Å; D66-I68 PolarHBondContact O-N 2.65Å; D66-A69 PolarHBondContact O-N 3.29Å; D66-I70 VanDerWaalsContact O-CG1 3.27Å; D66-I70 WeakPolarHBondContact O-CG1 3.48Å; D66-I70 PolarHBondContact O-N 3.45Å; D66-I135 HydrophobicContact CB-CB 3.94Å; D66-I135 HydrophobicContact CB-CG1 4.12Å; D66-I135 HydrophobicContact CB-CG2 3.83Å; D66-I135 WeakPolarHBondContact OD1-CB 3.22Å; D66-I135 WeakPolarHBondContact OD1-CG2 3.3Å
67	M	97.5	Very high	89.3	Confident	10 Å²	10	70.7 Å²	70.7	5%	0.049	32%	0.321	C	S	.	.	H	α-helix	trans	-55.7	-51.4	174.4	-178.7	-172.2	83	0	0	111.6	S63 Q64 I70 L71 W93 F257	S63-M67 WeakPolarHBondContact O-CB 3.42Å; S63-M67 PolarHBondContact O-N 3.38Å; Q64-M67 VanDerWaalsContact CD-CE 3.47Å; Q64-M67 WeakPolarHBondContact O-CB 3.47Å; Q64-M67 PolarHBondContact O-N 3.35Å; M67-I70 PolarHBondContact O-N 3.17Å; M67-L71 WeakPolarHBondContact O-CB 3.02Å; M67-L71 PolarHBondContact O-N 2.97Å; M67-W93 HydrophobicContact CB-CH2 4.3Å; M67-W93 HydrophobicContact CB-CZ2 4.4Å; M67-W93 HydrophobicContact CB-CZ3 4.42Å; M67-W93 HydrophobicContact CG-CD2 3.34Å; M67-W93 VanDerWaalsContact CG-CE2 3.45Å; M67-W93 HydrophobicContact CG-CE3 3.48Å; M67-W93 VanDerWaalsContact CG-CE3 3.48Å; M67-W93 HydrophobicContact CG-CG 3.87Å; M67-W93 HydrophobicContact CG-CH2 3.78Å; M67-W93 HydrophobicContact CG-CZ2 3.68Å; M67-W93 HydrophobicContact CG-CZ3 3.71Å; M67-W93 HydrophobicContact SD-CB 4.48Å; M67-W93 VanDerWaalsContact SD-CD1 3.52Å; M67-W93 HydrophobicContact SD-CD2 3.71Å; M67-W93 VanDerWaalsContact SD-CE2 3.55Å; M67-W93 HydrophobicContact SD-CE3 4.45Å; M67-W93 HydrophobicContact SD-CG 3.69Å; M67-W93 HydrophobicContact SD-CZ2 4.15Å; M67-W93 PolarHBondContact SD-NE1 3.24Å; M67-W93 VanDerWaalsContact SD-NE1 3.42Å; M67-F257 HydrophobicContact CE-CE1 3.93Å
68	I	98	Very high	91.5	Very high	63 Å²	63	59 Å²	59	32%	0.323	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-48.2	177.1	-68.3	166.4	0	0	0	110	Q64 D66 I70 L71 D72	Q64-I68 HydrophobicContact CG-CD1 4.08Å; Q64-I68 VanDerWaalsContact O-CG1 3.31Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.1Å; D66-I68 PolarHBondContact O-N 2.65Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.06Å; I68-L71 PolarHBondContact O-N 2.88Å; I68-L71 VanDerWaalsContact O-N 3.17Å; I68-D72 VanDerWaalsContact CG2-OD2 3.25Å; I68-D72 WeakPolarHBondContact CG2-OD2 3.27Å; I68-D72 WeakPolarHBondContact O-CB 3.03Å; I68-D72 VanDerWaalsContact O-CG 3.25Å; I68-D72 PolarHBondContact O-N 3.21Å
69	A	98.5	Very high	93.2	Very high	28 Å²	28	51 Å²	51	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-41.8	-179.6	0	0	0	0	0	112.8	N65 D66 Y73 I135 L136	N65-A69 VanDerWaalsContact O-CB 3.3Å; N65-A69 WeakPolarHBondContact O-CB 3.35Å; N65-A69 PolarHBondContact O-N 3.28Å; D66-A69 PolarHBondContact O-N 3.29Å; A69-Y73 VanDerWaalsContact O-CB 3.22Å; A69-Y73 WeakPolarHBondContact O-CB 3.47Å; A69-Y73 PolarHBondContact O-N 3.1Å; A69-I135 HydrophobicContact CB-CG2 3.99Å; A69-L136 HydrophobicContact CB-CD2 4.45Å; A69-L136 HydrophobicContact CB-CG 4.44Å
70	I	98.8	Very high	95	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-49.9	175.4	-68	178.9	0	0	0	110.2	I62 D66 M67 I68 Y73 H74 I135 V139 I184 C186 L207	I62-I70 HydrophobicContact CD1-CD1 3.56Å; D66-I70 VanDerWaalsContact O-CG1 3.27Å; D66-I70 WeakPolarHBondContact O-CG1 3.48Å; D66-I70 PolarHBondContact O-N 3.45Å; M67-I70 PolarHBondContact O-N 3.17Å; I68-I70 VanDerWaalsContact C-N 3.34Å; I68-I70 PolarHBondContact O-N 3.06Å; I70-Y73 PolarHBondContact O-N 2.97Å; I70-H74 PolarHBondContact O-N 2.94Å; I70-H74 PolarHBondContact O-ND1 2.96Å; I70-I135 HydrophobicContact CD1-CG1 3.76Å; I70-I135 HydrophobicContact CG1-CG1 3.93Å; I70-I135 HydrophobicContact CG1-CG2 4.03Å; I70-V139 HydrophobicContact CD1-CG2 4.48Å; I70-V139 HydrophobicContact CG1-CG2 4.1Å; I70-I184 HydrophobicContact CG2-CD1 3.94Å; I70-C186 HydrophobicContact CD1-CB 4.04Å; I70-L207 HydrophobicContact CD1-CD1 4.28Å
71	L	98.7	Very high	96.6	Very high	24 Å²	24	43.1 Å²	43.1	13%	0.126	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-48.3	-176	-174	64.3	0	0	0	111.6	M67 I68 Y73 H74 N75 M91 W93 I184	M67-L71 WeakPolarHBondContact O-CB 3.02Å; M67-L71 PolarHBondContact O-N 2.97Å; I68-L71 PolarHBondContact O-N 2.88Å; I68-L71 VanDerWaalsContact O-N 3.17Å; L71-Y73 VanDerWaalsContact C-N 3.31Å; L71-Y73 PolarHBondContact O-N 3.08Å; L71-H74 PolarHBondContact O-N 3.22Å; L71-N75 PolarHBondContact O-N 3.22Å; L71-N75 PolarHBondContact O-ND2 3.35Å; L71-M91 HydrophobicContact CD1-CB 4.33Å; L71-M91 HydrophobicContact CD1-CG 4.08Å; L71-M91 WeakPolarHBondContact CD1-O 3.31Å; L71-W93 HydrophobicContact CD2-CB 4.3Å; L71-I184 HydrophobicContact CD1-CG2 3.71Å
72	D	98.6	Very high	97.5	Very high	88 Å²	88	46.1 Å²	46.1	47%	0.471	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-42	178.9	-70.3	-8.5	0	0	0	110.9	I68 N75 Q76	I68-D72 VanDerWaalsContact CG2-OD2 3.25Å; I68-D72 WeakPolarHBondContact CG2-OD2 3.27Å; I68-D72 WeakPolarHBondContact O-CB 3.03Å; I68-D72 VanDerWaalsContact O-CG 3.25Å; I68-D72 PolarHBondContact O-N 3.21Å; D72-N75 PolarHBondContact O-N 3.21Å; D72-Q76 VanDerWaalsContact O-CB 3.22Å; D72-Q76 WeakPolarHBondContact O-CB 3.34Å; D72-Q76 PolarHBondContact O-N 2.91Å
73	Y	98.9	Very high	97.8	Very high	23 Å²	23	45.7 Å²	45.7	9%	0.09	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-40.3	177.1	-172.9	-109	0	0	0	112	A69 I70 L71 Q76 V77 L136 V139 K140 Y143 M176	A69-Y73 VanDerWaalsContact O-CB 3.22Å; A69-Y73 WeakPolarHBondContact O-CB 3.47Å; A69-Y73 PolarHBondContact O-N 3.1Å; I70-Y73 PolarHBondContact O-N 2.97Å; L71-Y73 VanDerWaalsContact C-N 3.31Å; L71-Y73 PolarHBondContact O-N 3.08Å; Y73-Q76 PolarHBondContact O-N 2.81Å; Y73-V77 HydrophobicContact CD2-CG1 4.48Å; Y73-V77 HydrophobicContact CE1-CG1 4.09Å; Y73-V77 HydrophobicContact CE2-CG1 4.02Å; Y73-V77 WeakPolarHBondContact O-CG1 3.16Å; Y73-V77 WeakPolarHBondContact O-CG2 3.47Å; Y73-V77 PolarHBondContact O-N 2.8Å; Y73-L136 HydrophobicContact CD1-CD2 4.23Å; Y73-L136 HydrophobicContact CG-CD2 3.88Å; Y73-V139 HydrophobicContact CD1-CG1 3.67Å; Y73-V139 HydrophobicContact CE1-CG1 4.07Å; Y73-K140 HydrophobicContact CE1-CG 4.01Å; Y73-K140 HydrophobicContact CE2-CG 4.15Å; Y73-Y143 WeakPolarHBondContact OH-CB 3.31Å; Y73-Y143 VanDerWaalsContact OH-CD1 3.32Å; Y73-Y143 WeakPolarHBondContact OH-CD1 3.38Å; Y73-M176 HydrophobicContact CD1-CE 3.94Å; Y73-M176 HydrophobicContact CE1-CE 3.88Å
74	H	98.9	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-50.9	174.6	-80.3	76.5	0	0	0	111.5	I70 L71 Q76 V77 R78 M91 I184 Y211	I70-H74 PolarHBondContact O-N 2.94Å; I70-H74 PolarHBondContact O-ND1 2.96Å; L71-H74 PolarHBondContact O-N 3.22Å; H74-Q76 VanDerWaalsContact C-N 3.31Å; H74-Q76 PolarHBondContact O-N 3.48Å; H74-V77 VanDerWaalsContact O-CG2 3.24Å; H74-V77 WeakPolarHBondContact O-CG2 3.32Å; H74-V77 PolarHBondContact O-N 3.42Å; H74-R78 WeakPolarHBondContact O-CB 3.33Å; H74-R78 WeakPolarHBondContact O-CD 3.4Å; H74-R78 WeakPolarHBondContact O-CG 3.28Å; H74-R78 PolarHBondContact O-N 2.93Å; H74-M91 HydrophobicContact CB-SD 3.77Å; H74-I184 VanDerWaalsContact CE1-CD1 3.47Å; H74-I184 WeakPolarHBondContact CE1-CD1 3.35Å; H74-I184 WeakPolarHBondContact NE2-CD1 3.36Å; H74-Y211 AromaticContact CD2-CE1 3.83Å; H74-Y211 AromaticContact NE2-CE1 3.55Å; H74-Y211 AromaticContact NE2-CZ 3.67Å; H74-Y211 PolarHBondContact NE2-OH 3Å
75	N	98.8	Very high	98.2	Very high	12 Å²	12	43.1 Å²	43.1	6%	0.064	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-37.6	179.2	-75.3	-39.5	0	0	0	112	L71 D72 V77 R78 G79 Y90 M91 L244	L71-N75 PolarHBondContact O-N 3.22Å; L71-N75 PolarHBondContact O-ND2 3.35Å; D72-N75 PolarHBondContact O-N 3.21Å; N75-V77 PolarHBondContact O-N 3.43Å; N75-R78 PolarHBondContact O-N 3.04Å; N75-G79 PolarHBondContact O-N 2.95Å; N75-Y90 HydrophobicContact CB-CD2 4.44Å; N75-Y90 HydrophobicContact CB-CE2 4.06Å; N75-Y90 VanDerWaalsContact ND2-CE2 3.27Å; N75-Y90 WeakPolarHBondContact ND2-CE2 3.43Å; N75-Y90 VanDerWaalsContact ND2-CZ 3.3Å; N75-M91 PolarHBondContact ND2-O 2.82Å; N75-M91 VanDerWaalsContact OD1-CB 3.27Å; N75-M91 WeakPolarHBondContact OD1-CB 2.94Å; N75-M91 PolarHBondContact OD1-N 2.79Å; N75-L244 HydrophobicContact CB-CD1 3.97Å
76	Q	98.7	Very high	98.4	Very high	99 Å²	99	37.3 Å²	37.3	46%	0.463	19%	0.191	S	C	.	.	H	α-helix	trans	-59	-47.8	174.1	177.5	178.9	75.8	0	0	112.3	D72 Y73 H74 K80	D72-Q76 VanDerWaalsContact O-CB 3.22Å; D72-Q76 WeakPolarHBondContact O-CB 3.34Å; D72-Q76 PolarHBondContact O-N 2.91Å; Y73-Q76 PolarHBondContact O-N 2.81Å; H74-Q76 VanDerWaalsContact C-N 3.31Å; H74-Q76 PolarHBondContact O-N 3.48Å; Q76-K80 HydrophobicContact CG-CD 4.2Å; Q76-K80 VanDerWaalsContact O-CG 3.32Å; Q76-K80 WeakPolarHBondContact O-CG 3.49Å
77	V	98.7	Very high	98.4	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	19%	0.189	C	C	.	.	H	α-helix	trans	-72.6	-34.1	-178.9	-60.2	0	0	0	0	111.8	Y73 H74 N75 K80 V81 Y143 M176 V177	Y73-V77 HydrophobicContact CD2-CG1 4.48Å; Y73-V77 HydrophobicContact CE1-CG1 4.09Å; Y73-V77 HydrophobicContact CE2-CG1 4.02Å; Y73-V77 WeakPolarHBondContact O-CG1 3.16Å; Y73-V77 WeakPolarHBondContact O-CG2 3.47Å; Y73-V77 PolarHBondContact O-N 2.8Å; H74-V77 VanDerWaalsContact O-CG2 3.24Å; H74-V77 WeakPolarHBondContact O-CG2 3.32Å; H74-V77 PolarHBondContact O-N 3.42Å; N75-V77 PolarHBondContact O-N 3.43Å; V77-K80 PolarHBondContact O-N 3.37Å; V77-V81 WeakPolarHBondContact O-CG1 3.36Å; V77-V81 PolarHBondContact O-N 3.44Å; V77-Y143 HydrophobicContact CB-CD2 3.64Å; V77-Y143 HydrophobicContact CB-CE2 3.68Å; V77-Y143 HydrophobicContact CG1-CD1 4.42Å; V77-Y143 HydrophobicContact CG1-CD2 3.48Å; V77-Y143 VanDerWaalsContact CG1-CD2 3.48Å; V77-Y143 HydrophobicContact CG1-CE2 3.65Å; V77-Y143 HydrophobicContact CG1-CG 3.89Å; V77-Y143 HydrophobicContact CG2-CD2 4.17Å; V77-M176 HydrophobicContact CG2-CE 4.01Å; V77-V177 HydrophobicContact CG2-CG1 4.47Å
78	R	98.8	Very high	98.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-41.4	175.4	-72.3	168.6	74.5	76.2	0.4	112.2	H74 N75 K80 M88 E89 M176 W178 A179 L244	H74-R78 WeakPolarHBondContact O-CB 3.33Å; H74-R78 WeakPolarHBondContact O-CD 3.4Å; H74-R78 WeakPolarHBondContact O-CG 3.28Å; H74-R78 PolarHBondContact O-N 2.93Å; N75-R78 PolarHBondContact O-N 3.04Å; R78-K80 PolarHBondContact O-N 3.14Å; R78-M88 HydrophobicContact CB-CG 3.83Å; R78-M88 HydrophobicContact CB-SD 3.93Å; R78-M88 HydrophobicContact CG-CG 4.48Å; R78-M88 HydrophobicContact CG-SD 3.99Å; R78-M88 PolarHBondContact NH2-SD 3.22Å; R78-M88 VanDerWaalsContact NH2-SD 3.38Å; R78-E89 PolarHBondContact NE-O 3.48Å; R78-E89 VanDerWaalsContact NE-O 3.08Å; R78-E89 PolarHBondContact NH2-O 2.96Å; R78-M176 WeakPolarHBondContact CG-O 3.3Å; R78-M176 PolarHBondContact NH1-O 2.89Å; R78-W178 PolarHBondContact NH1-O 3.02Å; R78-W178 PolarHBondContact NH2-O 3.06Å; R78-W178 VanDerWaalsContact NH2-O 3.16Å; R78-A179 PolarHBondContact NH2-O 3.36Å; R78-L244 HydrophobicContact CB-CD2 3.75Å
79	G	98.4	Very high	98.5	Very high	9 Å²	9	34.4 Å²	34.4	9%	0.093	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6.9	177.8	0	0	0	0	0	114.8	N75 D242 N243	N75-G79 PolarHBondContact O-N 2.95Å; G79-D242 WeakPolarHBondContact CA-O 3.31Å; G79-N243 PolarHBondContact O-ND2 2.94Å
80	K	98.1	Very high	98.5	Very high	137 Å²	137	36 Å²	36	60%	0.596	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.5	14.6	-175.1	-66.4	180	-177.6	-177.6	0	113.7	Q76 V77 R78	Q76-K80 HydrophobicContact CG-CD 4.2Å; Q76-K80 VanDerWaalsContact O-CG 3.32Å; Q76-K80 WeakPolarHBondContact O-CG 3.49Å; V77-K80 PolarHBondContact O-N 3.37Å; R78-K80 PolarHBondContact O-N 3.14Å
81	V	98.6	Very high	98.5	Very high	17 Å²	17	36 Å²	36	10%	0.103	18%	0.176	C	C	.	.			trans	-63.4	148.9	179.6	-63.8	0	0	0	0	111.8	V77 P83 A85 M88 V177 Y223	V77-V81 WeakPolarHBondContact O-CG1 3.36Å; V77-V81 PolarHBondContact O-N 3.44Å; V81-P83 CarbonylContact C-O 3.52Å; V81-A85 HydrophobicContact CG2-CB 3.71Å; V81-M88 HydrophobicContact CG1-CE 4.13Å; V81-M88 HydrophobicContact CG2-CE 4Å; V81-V177 HydrophobicContact CG1-CB 3.82Å; V81-V177 HydrophobicContact CG1-CG1 3.55Å; V81-Y223 HydrophobicContact CB-CE1 4Å; V81-Y223 HydrophobicContact CG1-CE1 4.13Å; V81-Y223 HydrophobicContact CG2-CE1 4.03Å; V81-Y223 HydrophobicContact CG2-CE2 4.14Å
82	F	97.4	Very high	98.4	Very high	162 Å²	162	37.6 Å²	37.6	71%	0.711	19%	0.187	S	C	*	.	S	Bend	trans	-128.4	130.8	169.2	-173.9	-95.3	0	0	0	109.3	Y223	F82-Y223 PolarHBondContact O-OH 2.84Å
83	P	98.2	Very high	98.4	Very high	6 Å²	6	35.3 Å²	35.3	4%	0.039	17%	0.172	C	C	.	.	S	Bend	cis	-61.9	159.5	-4	28.4	-36.8	0	0	0	113.5	V81 F151 Y153 Y223 V225	V81-P83 CarbonylContact C-O 3.52Å; P83-F151 HydrophobicContact CG-CB 4.13Å; P83-F151 HydrophobicContact CG-CD1 3.58Å; P83-F151 HydrophobicContact CG-CD2 4.17Å; P83-F151 HydrophobicContact CG-CE1 4.04Å; P83-F151 HydrophobicContact CG-CG 3.66Å; P83-F151 HydrophobicContact CG-CZ 4.48Å; P83-Y153 HydrophobicContact CB-CE1 4.19Å; P83-Y153 HydrophobicContact CG-CE1 4.02Å; P83-Y223 HydrophobicContact CG-CE2 4.31Å; P83-Y223 WeakPolarHBondContact O-CE2 3.33Å; P83-Y223 PolarHBondContact O-OH 2.82Å; P83-V225 HydrophobicContact CB-CG1 3.96Å; P83-V225 HydrophobicContact CB-CG2 4.17Å; P83-V225 HydrophobicContact CG-CG1 4.35Å; P83-V225 HydrophobicContact CG-CG2 3.63Å
84	P	98.4	Very high	98.4	Very high	57 Å²	57	35.3 Å²	35.3	37%	0.37	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-61.5	140.7	-178.9	-23.6	34.5	0	0	0	112.5	V225 G226 P228	P84-V225 WeakPolarHBondContact O-CA 3.23Å; P84-G226 CarbonylContact C-O 3.48Å; P84-G226 PolarHBondContact O-N 2.93Å; P84-P228 HydrophobicContact CB-CG 4.25Å
85	A	98.6	Very high	98.3	Very high	6 Å²	6	39 Å²	39	5%	0.05	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-96.5	126.3	-178.1	0	0	0	0	0	112	V81 M88 Y223 K224 P228	V81-A85 HydrophobicContact CG2-CB 3.71Å; A85-M88 HydrophobicContact CB-CB 3.86Å; A85-M88 HydrophobicContact CB-CE 3.74Å; A85-Y223 HydrophobicContact CB-CD1 4.46Å; A85-Y223 HydrophobicContact CB-CD2 3.43Å; A85-Y223 VanDerWaalsContact CB-CD2 3.43Å; A85-Y223 HydrophobicContact CB-CE2 4.01Å; A85-Y223 HydrophobicContact CB-CG 3.69Å; A85-K224 CarbonylContact C-O 3.44Å; A85-K224 VanDerWaalsContact CA-O 3.31Å; A85-K224 WeakPolarHBondContact CA-O 3.25Å; A85-P228 WeakPolarHBondContact O-CA 3.03Å
86	S	98.2	Very high	98.2	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.035	22%	0.217	C	C	.	.	S	Bend	trans	-81.9	-17.8	178.7	60.5	0	0	0	0	114.5	K224 V227 C229 S230 A231	S86-K224 PolarHBondContact N-O 3.23Å; S86-K224 WeakPolarHBondContact OG-CB 3.27Å; S86-K224 PolarHBondContact OG-O 2.92Å; S86-V227 VanDerWaalsContact CA-O 3.27Å; S86-V227 WeakPolarHBondContact CA-O 3.33Å; S86-V227 WeakPolarHBondContact CB-O 3.39Å; S86-C229 CarbonylContact O-C 3.54Å; S86-C229 VanDerWaalsContact O-C 3.29Å; S86-C229 WeakPolarHBondContact O-CA 3.35Å; S86-C229 PolarHBondContact O-N 3.16Å; S86-S230 WeakPolarHBondContact CB-OG 3.42Å; S86-S230 PolarHBondContact O-N 3.26Å; S86-A231 CarbonylContact O-C 3.52Å; S86-A231 WeakPolarHBondContact O-CA 3.26Å; S86-A231 PolarHBondContact O-N 3.22Å; S86-A231 WeakPolarHBondContact OG-CB 2.96Å
87	N	98.1	Very high	98.2	Very high	21 Å²	21	39.1 Å²	39.1	11%	0.112	20%	0.198	C	C	.	.	S	Bend	trans	-128.8	20	-170.7	73	-38.2	0	0	0	114.1	E89 K224 A231	N87-E89 PolarHBondContact O-N 2.93Å; N87-K224 PolarHBondContact OD1-N 3.34Å; N87-A231 HydrophobicContact CB-CB 4.16Å; N87-A231 VanDerWaalsContact CB-O 3.23Å; N87-A231 WeakPolarHBondContact CB-O 3.27Å
88	M	98.8	Very high	98.1	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.2	C	C	.	.			trans	-69.2	114.6	-175.9	-171.5	68	66.9	0	0	110.9	R78 V81 A85 V177 A179 Y223 L244 C245	R78-M88 HydrophobicContact CB-CG 3.83Å; R78-M88 HydrophobicContact CB-SD 3.93Å; R78-M88 HydrophobicContact CG-CG 4.48Å; R78-M88 HydrophobicContact CG-SD 3.99Å; R78-M88 PolarHBondContact NH2-SD 3.22Å; R78-M88 VanDerWaalsContact NH2-SD 3.38Å; V81-M88 HydrophobicContact CG1-CE 4.13Å; V81-M88 HydrophobicContact CG2-CE 4Å; A85-M88 HydrophobicContact CB-CB 3.86Å; A85-M88 HydrophobicContact CB-CE 3.74Å; M88-V177 HydrophobicContact CE-CB 4.32Å; M88-V177 WeakPolarHBondContact CE-O 3.47Å; M88-A179 HydrophobicContact SD-CB 4.49Å; M88-Y223 HydrophobicContact CE-CD1 3.64Å; M88-Y223 HydrophobicContact CE-CE1 4.32Å; M88-Y223 HydrophobicContact CE-CG 3.94Å; M88-L244 HydrophobicContact CB-CD2 3.99Å; M88-L244 HydrophobicContact CG-CD2 3.33Å; M88-L244 CarbonylContact O-C 3.57Å; M88-L244 WeakPolarHBondContact O-CA 3.41Å; M88-C245 PolarHBondContact O-N 2.99Å
89	E	98.4	Very high	98	Very high	20 Å²	20	45.3 Å²	45.3	9%	0.093	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-79.7	145.7	179.1	-61	-176.3	-143	0	0	112.3	R78 N87 M91 A179 N182 P233 Y236	R78-E89 PolarHBondContact NE-O 3.48Å; R78-E89 VanDerWaalsContact NE-O 3.08Å; R78-E89 PolarHBondContact NH2-O 2.96Å; N87-E89 PolarHBondContact O-N 2.93Å; E89-M91 PolarHBondContact O-N 3.19Å; E89-A179 VanDerWaalsContact CB-O 3.32Å; E89-A179 WeakPolarHBondContact CB-O 3.48Å; E89-A179 PolarHBondContact N-O 2.99Å; E89-N182 HydrophobicContact CB-CB 3.9Å; E89-N182 WeakPolarHBondContact OE2-CB 3.04Å; E89-N182 PolarHBondContact OE2-ND2 2.77Å; E89-P233 HydrophobicContact CG-CG 4.3Å; E89-Y236 HydrophobicContact CB-CE2 4.35Å; E89-Y236 HydrophobicContact CG-CE2 4.12Å; E89-Y236 PolarHBondContact OE2-OH 3.25Å
90	Y	98.1	Very high	98	Very high	61 Å²	61	46 Å²	46	24%	0.239	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-64.7	130.6	169.5	-175.8	-98.1	0	0	0	110.1	N75 V92 L244 C245 F246	N75-Y90 HydrophobicContact CB-CD2 4.44Å; N75-Y90 HydrophobicContact CB-CE2 4.06Å; N75-Y90 VanDerWaalsContact ND2-CE2 3.27Å; N75-Y90 WeakPolarHBondContact ND2-CE2 3.43Å; N75-Y90 VanDerWaalsContact ND2-CZ 3.3Å; Y90-V92 HydrophobicContact CD1-CG1 3.9Å; Y90-V92 HydrophobicContact CE1-CG1 3.98Å; Y90-L244 HydrophobicContact CD2-CB 4.47Å; Y90-L244 HydrophobicContact CD2-CD1 3.71Å; Y90-L244 HydrophobicContact CE2-CD1 4.41Å; Y90-C245 WeakPolarHBondContact CB-O 3.26Å; Y90-C245 PolarHBondContact N-O 2.6Å; Y90-F246 HydrophobicContact CD1-CD1 4.17Å; Y90-F246 AromaticContact CD1-CE1 3.74Å; Y90-F246 HydrophobicContact CD1-CE1 3.74Å; Y90-F246 HydrophobicContact CD1-CZ 4.36Å; Y90-F246 HydrophobicContact CD2-CD1 4.3Å; Y90-F246 AromaticContact CD2-CE1 3.36Å; Y90-F246 HydrophobicContact CD2-CE1 3.36Å; Y90-F246 AromaticContact CD2-CE2 3.89Å; Y90-F246 HydrophobicContact CD2-CE2 3.89Å; Y90-F246 AromaticContact CD2-CZ 3.11Å; Y90-F246 HydrophobicContact CD2-CZ 3.11Å; Y90-F246 HydrophobicContact CE1-CE1 4.06Å; Y90-F246 AromaticContact CE2-CE1 3.71Å; Y90-F246 HydrophobicContact CE2-CE1 3.71Å; Y90-F246 AromaticContact CE2-CZ 3.57Å; Y90-F246 HydrophobicContact CE2-CZ 3.57Å; Y90-F246 AromaticContact CG-CD1 3.9Å; Y90-F246 HydrophobicContact CG-CD1 3.9Å; Y90-F246 AromaticContact CG-CE1 3.37Å; Y90-F246 HydrophobicContact CG-CE1 3.37Å; Y90-F246 HydrophobicContact CG-CE2 4.22Å; Y90-F246 AromaticContact CG-CZ 3.57Å; Y90-F246 HydrophobicContact CG-CZ 3.57Å
91	M	98.3	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-88.9	136	-180	-170.6	177.7	-80	0	0	110.5	L71 H74 N75 E89 S181 N182 I184 Y211	L71-M91 HydrophobicContact CD1-CB 4.33Å; L71-M91 HydrophobicContact CD1-CG 4.08Å; L71-M91 WeakPolarHBondContact CD1-O 3.31Å; H74-M91 HydrophobicContact CB-SD 3.77Å; N75-M91 PolarHBondContact ND2-O 2.82Å; N75-M91 VanDerWaalsContact OD1-CB 3.27Å; N75-M91 WeakPolarHBondContact OD1-CB 2.94Å; N75-M91 PolarHBondContact OD1-N 2.79Å; E89-M91 PolarHBondContact O-N 3.19Å; M91-S181 WeakPolarHBondContact CE-O 3.18Å; M91-N182 CarbonylContact C-O 3.57Å; M91-N182 VanDerWaalsContact CA-O 3.31Å; M91-N182 WeakPolarHBondContact CA-O 3.34Å; M91-I184 HydrophobicContact CG-CB 4.12Å; M91-I184 HydrophobicContact CG-CG2 3.78Å; M91-I184 HydrophobicContact SD-CB 3.58Å; M91-I184 VanDerWaalsContact SD-CB 3.58Å; M91-I184 HydrophobicContact SD-CD1 4.17Å; M91-I184 HydrophobicContact SD-CG1 4.44Å; M91-I184 HydrophobicContact SD-CG2 3.52Å; M91-I184 VanDerWaalsContact SD-CG2 3.52Å; M91-Y211 HydrophobicContact CE-CD1 3.98Å; M91-Y211 HydrophobicContact CE-CE1 4.19Å
92	V	98.1	Very high	97.9	Very high	59 Å²	59	39.6 Å²	39.6	36%	0.358	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	158	174	-59.3	0	0	0	0	111.3	Y90 N182 R183 I184	Y90-V92 HydrophobicContact CD1-CG1 3.9Å; Y90-V92 HydrophobicContact CE1-CG1 3.98Å; V92-N182 WeakPolarHBondContact CG2-O 3.32Å; V92-N182 PolarHBondContact N-O 3.38Å; V92-R183 HydrophobicContact CG2-CG 3.97Å; V92-R183 WeakPolarHBondContact O-CA 3.43Å; V92-I184 PolarHBondContact O-N 3.39Å
93	W	98.2	Very high	97.9	Very high	39 Å²	39	34.9 Å²	34.9	15%	0.148	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.8	173.2	-171.5	-99.4	0	0	0	111.4	I62 M67 L71 E95 A98 I184 C186	I62-W93 HydrophobicContact CD1-CH2 4.14Å; I62-W93 HydrophobicContact CG2-CH2 4.28Å; I62-W93 HydrophobicContact CG2-CZ2 4.08Å; M67-W93 HydrophobicContact CB-CH2 4.3Å; M67-W93 HydrophobicContact CB-CZ2 4.4Å; M67-W93 HydrophobicContact CB-CZ3 4.42Å; M67-W93 HydrophobicContact CG-CD2 3.34Å; M67-W93 VanDerWaalsContact CG-CE2 3.45Å; M67-W93 HydrophobicContact CG-CE3 3.48Å; M67-W93 VanDerWaalsContact CG-CE3 3.48Å; M67-W93 HydrophobicContact CG-CG 3.87Å; M67-W93 HydrophobicContact CG-CH2 3.78Å; M67-W93 HydrophobicContact CG-CZ2 3.68Å; M67-W93 HydrophobicContact CG-CZ3 3.71Å; M67-W93 HydrophobicContact SD-CB 4.48Å; M67-W93 VanDerWaalsContact SD-CD1 3.52Å; M67-W93 HydrophobicContact SD-CD2 3.71Å; M67-W93 VanDerWaalsContact SD-CE2 3.55Å; M67-W93 HydrophobicContact SD-CE3 4.45Å; M67-W93 HydrophobicContact SD-CG 3.69Å; M67-W93 HydrophobicContact SD-CZ2 4.15Å; M67-W93 PolarHBondContact SD-NE1 3.24Å; M67-W93 VanDerWaalsContact SD-NE1 3.42Å; L71-W93 HydrophobicContact CD2-CB 4.3Å; W93-E95 PolarHBondContact NE1-OE1 3.08Å; W93-E95 VanDerWaalsContact NE1-OE1 3.15Å; W93-A98 HydrophobicContact CZ2-CB 3.6Å; W93-I184 CarbonylContact C-O 3.55Å; W93-I184 WeakPolarHBondContact CA-O 3.47Å; W93-I184 HydrophobicContact CE3-CG2 4.11Å; W93-C186 HydrophobicContact CH2-CB 3.77Å; W93-C186 HydrophobicContact CZ3-CB 4.19Å
94	D	98.1	Very high	97.9	Very high	24 Å²	24	36.3 Å²	36.3	13%	0.128	20%	0.197	C	C	.	.			trans	-123.2	113.8	175.7	-169.4	-61	0	0	0	110.8	T96 L97 A98 R183 I184	D94-T96 PolarHBondContact O-N 3.31Å; D94-T96 WeakPolarHBondContact OD1-CA 3.49Å; D94-T96 WeakPolarHBondContact OD1-CB 3.42Å; D94-T96 PolarHBondContact OD1-N 2.88Å; D94-L97 HydrophobicContact CB-CB 4.15Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.86Å; D94-L97 PolarHBondContact O-N 3.37Å; D94-L97 PolarHBondContact OD1-N 3.3Å; D94-L97 VanDerWaalsContact OD1-N 3.12Å; D94-A98 PolarHBondContact O-N 3.22Å; D94-R183 HydrophobicContact CB-CB 4.02Å; D94-R183 HydrophobicContact CB-CG 4.38Å; D94-R183 IonicContact OD2-CZ 3.92Å; D94-R183 IonicContact OD2-NH1 2.92Å; D94-R183 PolarHBondContact OD2-NH1 3.1Å; D94-I184 PolarHBondContact N-O 3.08Å
95	E	96.6	Very high	97.9	Very high	77 Å²	77	33.7 Å²	33.7	36%	0.36	18%	0.179	S	C	.	.	H	α-helix	trans	-64.5	-25.7	-178.7	-70.8	-63.8	155.5	0	0	113.3	W93 K99	W93-E95 PolarHBondContact NE1-OE1 3.08Å; W93-E95 VanDerWaalsContact NE1-OE1 3.15Å; E95-K99 WeakPolarHBondContact O-CB 3.36Å; E95-K99 VanDerWaalsContact O-CG 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.41Å; E95-K99 PolarHBondContact O-N 3.39Å
96	T	96.8	Very high	97.8	Very high	102 Å²	102	35.7 Å²	35.7	63%	0.626	20%	0.196	S	C	*	.	H	α-helix	trans	-73.3	-42.1	177	-51	0	0	0	0	110.1	D94 A98 K99 S100	D94-T96 PolarHBondContact O-N 3.31Å; D94-T96 WeakPolarHBondContact OD1-CA 3.49Å; D94-T96 WeakPolarHBondContact OD1-CB 3.42Å; D94-T96 PolarHBondContact OD1-N 2.88Å; T96-A98 VanDerWaalsContact C-N 3.33Å; T96-K99 PolarHBondContact O-N 3.4Å; T96-S100 PolarHBondContact O-N 2.98Å
97	L	98.3	Very high	97.7	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.063	21%	0.211	C	C	.	.	H	α-helix	trans	-62.1	-42	172.9	-63.3	-175	0	0	0	111.5	D94 S100 A101 L121 R183 N210 A212	D94-L97 HydrophobicContact CB-CB 4.15Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.86Å; D94-L97 PolarHBondContact O-N 3.37Å; D94-L97 PolarHBondContact OD1-N 3.3Å; D94-L97 VanDerWaalsContact OD1-N 3.12Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.65Å; L97-L121 HydrophobicContact CD2-CD1 3.93Å; L97-L121 HydrophobicContact CD2-CD2 3.56Å; L97-L121 HydrophobicContact CD2-CG 4.4Å; L97-R183 HydrophobicContact CD1-CB 3.87Å; L97-N210 HydrophobicContact CB-CB 4.14Å; L97-N210 HydrophobicContact CD2-CB 4.35Å; L97-N210 PolarHBondContact O-ND2 3.09Å; L97-A212 HydrophobicContact CD1-CB 3.78Å; L97-A212 HydrophobicContact CD2-CB 4.14Å
98	A	98.2	Very high	97.7	Very high	8 Å²	8	38.7 Å²	38.7	7%	0.066	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-43	178.3	0	0	0	0	0	112.2	W93 D94 T96 S100 A101 E102	W93-A98 HydrophobicContact CZ2-CB 3.6Å; D94-A98 PolarHBondContact O-N 3.22Å; T96-A98 VanDerWaalsContact C-N 3.33Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.34Å; A98-A101 PolarHBondContact O-N 2.84Å; A98-E102 WeakPolarHBondContact O-CB 3.34Å; A98-E102 PolarHBondContact O-N 3.2Å
99	K	96.6	Very high	97.6	Very high	128 Å²	128	42.8 Å²	42.8	56%	0.557	24%	0.237	S	C	*	.	H	α-helix	trans	-62.3	-39.7	174.1	-74.5	168.3	-173.3	172.2	0	112.5	E95 T96 E102 A103	E95-K99 WeakPolarHBondContact O-CB 3.36Å; E95-K99 VanDerWaalsContact O-CG 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.41Å; E95-K99 PolarHBondContact O-N 3.39Å; T96-K99 PolarHBondContact O-N 3.4Å; K99-E102 PolarHBondContact O-N 3.31Å; K99-A103 PolarHBondContact O-N 3.08Å
100	S	97	Very high	97.6	Very high	24 Å²	24	44.7 Å²	44.7	17%	0.168	24%	0.243	C	C	.	.	H	α-helix	trans	-66.2	-41.7	175.2	175.7	0	0	0	0	111.6	T96 L97 A98 E102 A103 W104 L117 N210	T96-S100 PolarHBondContact O-N 2.98Å; L97-S100 PolarHBondContact O-N 3.49Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.34Å; S100-E102 VanDerWaalsContact C-N 3.32Å; S100-E102 PolarHBondContact O-N 3.33Å; S100-A103 PolarHBondContact O-N 3.03Å; S100-W104 PolarHBondContact O-N 3.06Å; S100-W104 VanDerWaalsContact O-N 3.1Å; S100-L117 VanDerWaalsContact OG-CD1 3.31Å; S100-L117 WeakPolarHBondContact OG-CD1 3.17Å; S100-N210 PolarHBondContact OG-ND2 3.05Å
101	A	98.4	Very high	97.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-39.1	175.3	0	0	0	0	0	111.5	L97 A98 W104 A105 A187 V208 N210	L97-A101 WeakPolarHBondContact O-CB 3.43Å; L97-A101 PolarHBondContact O-N 2.65Å; A98-A101 PolarHBondContact O-N 2.84Å; A101-W104 PolarHBondContact O-N 3.28Å; A101-A105 VanDerWaalsContact O-CB 3.29Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.38Å; A101-A187 HydrophobicContact CB-CB 4.06Å; A101-V208 HydrophobicContact CB-CB 4.15Å; A101-V208 HydrophobicContact CB-CG1 3.92Å; A101-N210 PolarHBondContact N-ND2 2.03Å
102	E	97.6	Very high	97.6	Very high	20 Å²	20	50.5 Å²	50.5	9%	0.093	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-47.9	175.7	-179.3	-174.9	148	0	0	111.6	R58 Y61 A98 K99 S100 W104 A105 A106 A187	R58-E102 IonicContact CZ-OE1 3.19Å; R58-E102 IonicContact NE-OE1 2.98Å; R58-E102 PolarHBondContact NE-OE1 3.12Å; R58-E102 IonicContact NH2-OE1 2.65Å; R58-E102 PolarHBondContact NH2-OE1 3.03Å; Y61-E102 HydrophobicContact CD1-CG 4.33Å; Y61-E102 HydrophobicContact CD2-CG 3.44Å; Y61-E102 VanDerWaalsContact CD2-CG 3.44Å; Y61-E102 WeakPolarHBondContact CD2-OE1 3.47Å; Y61-E102 VanDerWaalsContact CE2-CD 3.47Å; Y61-E102 HydrophobicContact CE2-CG 3.9Å; Y61-E102 WeakPolarHBondContact CE2-OE1 3.5Å; Y61-E102 HydrophobicContact CG-CG 3.66Å; A98-E102 WeakPolarHBondContact O-CB 3.34Å; A98-E102 PolarHBondContact O-N 3.2Å; K99-E102 PolarHBondContact O-N 3.31Å; S100-E102 VanDerWaalsContact C-N 3.32Å; S100-E102 PolarHBondContact O-N 3.33Å; E102-W104 VanDerWaalsContact C-N 3.27Å; E102-W104 PolarHBondContact O-N 2.91Å; E102-A105 PolarHBondContact O-N 3.36Å; E102-A106 WeakPolarHBondContact O-CB 3.36Å; E102-A106 PolarHBondContact O-N 2.89Å; E102-A106 VanDerWaalsContact O-N 3.08Å; E102-A187 HydrophobicContact CB-CB 3.72Å
103	A	96.9	Very high	97.5	Very high	63 Å²	63	47.7 Å²	47.7	52%	0.521	26%	0.259	S	S	.	.	H	α-helix	trans	-59.5	-39.6	177.3	0	0	0	0	0	111.6	K99 S100	K99-A103 PolarHBondContact O-N 3.08Å; S100-A103 PolarHBondContact O-N 3.03Å
104	W	98.1	Very high	97.4	Very high	36 Å²	36	47 Å²	47	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-72.6	-45.6	177.5	-169.4	-114.2	0	0	0	112.9	S100 A101 E102 A106 T107 D111 H112 G113 P114 Y206 V208	S100-W104 PolarHBondContact O-N 3.06Å; S100-W104 VanDerWaalsContact O-N 3.1Å; A101-W104 PolarHBondContact O-N 3.28Å; E102-W104 VanDerWaalsContact C-N 3.27Å; E102-W104 PolarHBondContact O-N 2.91Å; W104-A106 PolarHBondContact O-N 2.03Å; W104-T107 HydrophobicContact CE3-CG2 4.21Å; W104-T107 WeakPolarHBondContact O-CB 3.34Å; W104-T107 WeakPolarHBondContact O-CG2 3.04Å; W104-T107 PolarHBondContact O-N 2.83Å; W104-T107 PolarHBondContact O-OG1 2.88Å; W104-D111 WeakPolarHBondContact CZ2-O 3.47Å; W104-D111 PolarHBondContact NE1-O 3.26Å; W104-H112 VanDerWaalsContact CZ2-C 3.43Å; W104-H112 WeakPolarHBondContact CZ2-O 3.29Å; W104-G113 VanDerWaalsContact CE2-CA 3.41Å; W104-G113 VanDerWaalsContact CE2-N 3.27Å; W104-G113 VanDerWaalsContact CE3-C 3.49Å; W104-P114 HydrophobicContact CE3-CB 4.11Å; W104-P114 HydrophobicContact CZ3-CB 3.98Å; W104-Y206 PolarHBondContact NE1-OH 3.12Å; W104-V208 HydrophobicContact CB-CG1 4.48Å
105	A	97.8	Very high	97.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-34.2	-179.9	0	0	0	0	0	112.3	A101 E102 T107 C108 A187 H189 Y206 V208	A101-A105 VanDerWaalsContact O-CB 3.29Å; A101-A105 WeakPolarHBondContact O-CB 3.37Å; A101-A105 PolarHBondContact O-N 3.38Å; E102-A105 PolarHBondContact O-N 3.36Å; A105-T107 PolarHBondContact O-N 3.14Å; A105-C108 PolarHBondContact O-N 2.64Å; A105-A187 HydrophobicContact CB-CB 4.47Å; A105-H189 HydrophobicContact CB-CB 3.77Å; A105-Y206 HydrophobicContact CB-CD1 4.36Å; A105-V208 HydrophobicContact CB-CB 4.31Å; A105-V208 HydrophobicContact CB-CG2 3.68Å
106	A	96.8	Very high	97.3	Very high	48 Å²	48	53.5 Å²	53.5	40%	0.397	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-17.4	176.7	0	0	0	0	0	114.1	E102 W104 C108	E102-A106 WeakPolarHBondContact O-CB 3.36Å; E102-A106 PolarHBondContact O-N 2.89Å; E102-A106 VanDerWaalsContact O-N 3.08Å; W104-A106 PolarHBondContact O-N 2.03Å; A106-C108 VanDerWaalsContact C-N 3.26Å; A106-C108 PolarHBondContact O-N 2.86Å
107	T	97.4	Very high	97.3	Very high	59 Å²	59	50.7 Å²	50.7	36%	0.362	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.1	176.8	68.9	0	0	0	0	112.8	W104 A105 I109	W104-T107 HydrophobicContact CE3-CG2 4.21Å; W104-T107 WeakPolarHBondContact O-CB 3.34Å; W104-T107 WeakPolarHBondContact O-CG2 3.04Å; W104-T107 PolarHBondContact O-N 2.83Å; W104-T107 PolarHBondContact O-OG1 2.88Å; A105-T107 PolarHBondContact O-N 3.14Å; T107-I109 PolarHBondContact O-N 3.43Å; T107-I109 PolarHBondContact OG1-N 3.47Å
108	C	97	Very high	97.2	Very high	30 Å²	30	52.1 Å²	52.1	20%	0.203	28%	0.283	C	S	.	.			trans	54.9	32.7	-175.5	-67.6	0	0	0	0	114.4	A105 A106 H189 C191 M194	A105-C108 PolarHBondContact O-N 2.64Å; A106-C108 VanDerWaalsContact C-N 3.26Å; A106-C108 PolarHBondContact O-N 2.86Å; C108-H189 VanDerWaalsContact SG-CD2 3.54Å; C108-C191 WeakPolarHBondContact CA-SG 3.08Å; C108-C191 HydrophobicContact CB-CB 3.67Å; C108-C191 WeakPolarHBondContact CB-SG 3.38Å; C108-C191 WeakPolarHBondContact SG-CA 3.38Å; C108-C191 WeakPolarHBondContact SG-CB 3.4Å; C108-C191 CovalentContact SG-SG 2.04Å; C108-C191 PolarHBondContact SG-SG 2.85Å; C108-M194 WeakPolarHBondContact O-CG 3.25Å
109	I	97.3	Very high	97	Very high	87 Å²	87	59.1 Å²	59.1	45%	0.446	31%	0.308	S	S	.	.			trans	-99.6	123.6	173.8	-60.7	171.3	0	0	0	108.2	T107 D111 Y206	T107-I109 PolarHBondContact O-N 3.43Å; T107-I109 PolarHBondContact OG1-N 3.47Å; I109-D111 HydrophobicContact CG2-CB 3.82Å; I109-D111 PolarHBondContact O-N 3.47Å; I109-Y206 WeakPolarHBondContact O-CE1 3.41Å; I109-Y206 PolarHBondContact O-OH 3.23Å
110	W	97.9	Very high	96.9	Very high	61 Å²	61	59.1 Å²	59.1	23%	0.231	31%	0.308	C	S	.	.	S	Bend	trans	-81.5	68.2	174.5	-174.6	-118.1	0	0	0	110.1	L125 V127 M194 N195 V196 W197 Y206	W110-L125 HydrophobicContact CH2-CB 3.82Å; W110-L125 HydrophobicContact CZ3-CB 3.67Å; W110-V127 HydrophobicContact CD2-CB 4.49Å; W110-V127 HydrophobicContact CD2-CG1 3.96Å; W110-V127 HydrophobicContact CE3-CB 3.81Å; W110-V127 HydrophobicContact CE3-CG1 3.74Å; W110-V127 HydrophobicContact CH2-CB 4Å; W110-V127 HydrophobicContact CH2-CG1 3.55Å; W110-V127 HydrophobicContact CZ2-CG1 3.76Å; W110-V127 HydrophobicContact CZ3-CB 3.51Å; W110-V127 HydrophobicContact CZ3-CG1 3.51Å; W110-M194 VanDerWaalsContact CA-CE 3.48Å; W110-M194 HydrophobicContact CB-CE 3.54Å; W110-M194 HydrophobicContact CD2-CE 4.24Å; W110-M194 HydrophobicContact CE3-CE 3.7Å; W110-M194 HydrophobicContact CG-CE 4.23Å; W110-N195 VanDerWaalsContact CB-O 3.25Å; W110-N195 WeakPolarHBondContact CB-O 3.44Å; W110-V196 HydrophobicContact CB-CG2 4.28Å; W110-V196 HydrophobicContact CD2-CG1 4.28Å; W110-V196 HydrophobicContact CG-CB 4.42Å; W110-V196 HydrophobicContact CG-CG1 4.08Å; W110-V196 HydrophobicContact CG-CG2 4.26Å; W110-W197 HydrophobicContact CZ2-CH2 4.41Å; W110-W197 AromaticContact CZ2-CZ2 3.74Å; W110-W197 HydrophobicContact CZ2-CZ2 3.74Å; W110-W197 AromaticContact NE1-CD1 3.89Å; W110-W197 AromaticContact NE1-CE2 3.48Å; W110-W197 AromaticContact NE1-CZ2 3.81Å; W110-W197 AromaticContact NE1-NE1 3.32Å; W110-Y206 HydrophobicContact CE3-CD2 4.07Å; W110-Y206 AromaticContact CE3-CE2 3.65Å; W110-Y206 HydrophobicContact CE3-CE2 3.65Å; W110-Y206 AromaticContact CZ3-CD2 3.97Å; W110-Y206 HydrophobicContact CZ3-CD2 3.97Å; W110-Y206 AromaticContact CZ3-CE2 3.62Å; W110-Y206 HydrophobicContact CZ3-CE2 3.62Å
111	D	97.9	Very high	96.9	Very high	101 Å²	101	59 Å²	59	54%	0.54	31%	0.306	S	S	.	.	S	Bend	trans	-155.8	163.7	177	-156.6	-8.9	0	0	0	109.7	W104 I109 L125 Y206	W104-D111 WeakPolarHBondContact CZ2-O 3.47Å; W104-D111 PolarHBondContact NE1-O 3.26Å; I109-D111 HydrophobicContact CG2-CB 3.82Å; I109-D111 PolarHBondContact O-N 3.47Å; D111-L125 WeakPolarHBondContact O-CD1 3.44Å; D111-Y206 PolarHBondContact O-OH 2.65Å
112	H	98.1	Very high	96.9	Very high	81 Å²	81	59 Å²	59	38%	0.375	31%	0.306	S	S	.	.			trans	-74.3	142.1	175	-72.4	-70.1	0	0	0	111.9	W104 L118 Q123	W104-H112 VanDerWaalsContact CZ2-C 3.43Å; W104-H112 WeakPolarHBondContact CZ2-O 3.29Å; H112-L118 HydrophobicContact CB-CD1 3.66Å; H112-Q123 PolarHBondContact CE1-O 3.44Å; H112-Q123 PolarHBondContact ND1-OE1 2.98Å
113	G	97	Very high	97	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.01	31%	0.305	C	S	.	.			trans	171.3	-174.4	173	0	0	0	0	0	116.5	W104 Q123	W104-G113 VanDerWaalsContact CE2-CA 3.41Å; W104-G113 VanDerWaalsContact CE2-N 3.27Å; W104-G113 VanDerWaalsContact CE3-C 3.49Å; G113-Q123 PolarHBondContact O-NE2 2.92Å
114	P	96.8	Very high	97.1	Very high	23 Å²	23	55.9 Å²	55.9	15%	0.149	28%	0.28	C	S	.	.			cis	-72	145.6	-4.9	32	-36.4	0	0	0	111.8	W104 Y116 L117 L118	W104-P114 HydrophobicContact CE3-CB 4.11Å; W104-P114 HydrophobicContact CZ3-CB 3.98Å; P114-Y116 VanDerWaalsContact C-N 3.26Å; P114-Y116 HydrophobicContact CB-CD1 3.78Å; P114-Y116 HydrophobicContact CB-CE1 3.36Å; P114-Y116 HydrophobicContact CG-CD1 4.12Å; P114-Y116 HydrophobicContact CG-CE1 3.45Å; P114-Y116 VanDerWaalsContact CG-CE1 3.45Å; P114-Y116 HydrophobicContact CG-CE2 4.45Å; P114-Y116 PolarHBondContact O-N 3.28Å; P114-Y116 VanDerWaalsContact O-N 3.09Å; P114-L117 HydrophobicContact CG-CB 4.35Å; P114-L117 HydrophobicContact CG-CD1 3.73Å; P114-L117 HydrophobicContact CG-CG 3.98Å; P114-L117 PolarHBondContact O-N 3.19Å; P114-L118 PolarHBondContact O-N 3.4Å
115	S	96.7	Very high	97.1	Very high	99 Å²	99	54.6 Å²	54.6	69%	0.692	28%	0.276	S	S	*	.	H	α-helix	trans	-53.5	-37.2	-169.8	58.6	0	0	0	0	114.4	L117 L118	S115-L117 PolarHBondContact O-N 3.46Å; S115-L118 PolarHBondContact O-N 3.01Å
116	Y	95.9	Very high	97.1	Very high	139 Å²	139	55.2 Å²	55.2	55%	0.545	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-19.5	-179.8	69.1	-92.6	0	0	0	114.1	P114 R119	P114-Y116 VanDerWaalsContact C-N 3.26Å; P114-Y116 HydrophobicContact CB-CD1 3.78Å; P114-Y116 HydrophobicContact CB-CE1 3.36Å; P114-Y116 HydrophobicContact CG-CD1 4.12Å; P114-Y116 HydrophobicContact CG-CE1 3.45Å; P114-Y116 VanDerWaalsContact CG-CE1 3.45Å; P114-Y116 HydrophobicContact CG-CE2 4.45Å; P114-Y116 PolarHBondContact O-N 3.28Å; P114-Y116 VanDerWaalsContact O-N 3.09Å; Y116-R119 PolarHBondContact O-NE 2.8Å; Y116-R119 PolarHBondContact O-NH2 3.09Å
117	L	95.8	Very high	97.1	Very high	44 Å²	44	53.7 Å²	53.7	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-93.3	-26.8	174.9	-65.9	-178.3	0	0	0	112.9	S100 P114 S115 R119 F120 L121	S100-L117 VanDerWaalsContact OG-CD1 3.31Å; S100-L117 WeakPolarHBondContact OG-CD1 3.17Å; P114-L117 HydrophobicContact CG-CB 4.35Å; P114-L117 HydrophobicContact CG-CD1 3.73Å; P114-L117 HydrophobicContact CG-CG 3.98Å; P114-L117 PolarHBondContact O-N 3.19Å; S115-L117 PolarHBondContact O-N 3.46Å; L117-R119 PolarHBondContact O-N 2.79Å; L117-R119 VanDerWaalsContact O-N 3.07Å; L117-F120 PolarHBondContact O-N 2.86Å; L117-L121 HydrophobicContact CB-CD1 4.15Å; L117-L121 PolarHBondContact O-N 3.21Å
118	L	95.6	Very high	97	Very high	42 Å²	42	54.1 Å²	54.1	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-14	-175.2	-62.9	-178	0	0	0	114.1	H112 P114 S115 F120 Q123 K214	H112-L118 HydrophobicContact CB-CD1 3.66Å; P114-L118 PolarHBondContact O-N 3.4Å; S115-L118 PolarHBondContact O-N 3.01Å; L118-F120 VanDerWaalsContact C-N 3.28Å; L118-Q123 HydrophobicContact CD2-CB 4.09Å; L118-K214 WeakPolarHBondContact O-CE 3.43Å; L118-K214 PolarHBondContact O-NZ 3.29Å
119	R	94.1	Very high	96.7	Very high	155 Å²	155	56.1 Å²	56.1	59%	0.585	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.7	169.3	63.2	-179.8	150.1	-177.4	-4.3	113.5	Y116 L117	Y116-R119 PolarHBondContact O-NE 2.8Å; Y116-R119 PolarHBondContact O-NH2 3.09Å; L117-R119 PolarHBondContact O-N 2.79Å; L117-R119 VanDerWaalsContact O-N 3.07Å
120	F	95.1	Very high	96.1	Very high	127 Å²	127	54.1 Å²	54.1	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-22.1	-176.5	-53.8	-58.5	0	0	0	113.2	L117 L118 K214	L117-F120 PolarHBondContact O-N 2.86Å; L118-F120 VanDerWaalsContact C-N 3.28Å; F120-K214 WeakPolarHBondContact O-CB 3.44Å; F120-K214 PolarHBondContact O-N 2.78Å
121	L	97.3	Very high	95.4	Very high	22 Å²	22	62.1 Å²	62.1	12%	0.115	30%	0.304	C	S	.	.			trans	-115	147.3	-176.2	-55.9	-178.7	0	0	0	111.7	L97 L117 Y211 A212 K214	L97-L121 HydrophobicContact CD2-CD1 3.93Å; L97-L121 HydrophobicContact CD2-CD2 3.56Å; L97-L121 HydrophobicContact CD2-CG 4.4Å; L117-L121 HydrophobicContact CB-CD1 4.15Å; L117-L121 PolarHBondContact O-N 3.21Å; L121-Y211 WeakPolarHBondContact CA-O 3.41Å; L121-A212 HydrophobicContact CD2-CB 3.84Å; L121-K214 PolarHBondContact O-NZ 2.65Å
122	G	98.4	Very high	95	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	156.4	158	0	0	0	0	0	110.3	Q175 N210 Y211	G122-Q175 VanDerWaalsContact CA-OE1 3.3Å; G122-N210 CarbonylContact O-C 3.29Å; G122-N210 WeakPolarHBondContact O-CA 3.33Å; G122-Y211 PolarHBondContact N-O 3Å; G122-Y211 PolarHBondContact O-N 2.87Å
123	Q	98.8	Very high	94.6	Very high	14 Å²	14	68.4 Å²	68.4	7%	0.065	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	128.5	175.6	-175	174.2	84.3	0	0	111.4	H112 G113 L118 L125 V208 C209 N210	H112-Q123 PolarHBondContact CE1-O 3.44Å; H112-Q123 PolarHBondContact ND1-OE1 2.98Å; G113-Q123 PolarHBondContact O-NE2 2.92Å; L118-Q123 HydrophobicContact CD2-CB 4.09Å; Q123-L125 HydrophobicContact CG-CD2 3.79Å; Q123-L125 HydrophobicContact CG-CG 4.37Å; Q123-V208 HydrophobicContact CG-CG1 4.11Å; Q123-C209 CarbonylContact C-O 3.53Å; Q123-C209 VanDerWaalsContact CA-O 3.24Å; Q123-C209 WeakPolarHBondContact CA-O 3.49Å; Q123-N210 WeakPolarHBondContact CG-OD1 3.43Å; Q123-N210 PolarHBondContact NE2-OD1 3.18Å
124	N	98.9	Very high	94.5	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.011	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.4	168.1	-72.7	-2.8	0	0	0	109.6	W142 H172 C209 Y211	N124-W142 HydrophobicContact CB-CD2 3.93Å; N124-W142 HydrophobicContact CB-CE3 4.07Å; N124-W142 HydrophobicContact CB-CH2 3.82Å; N124-W142 HydrophobicContact CB-CZ2 3.64Å; N124-W142 HydrophobicContact CB-CZ3 4.02Å; N124-H172 PolarHBondContact ND2-O 2.95Å; N124-C209 PolarHBondContact N-O 3.36Å; N124-C209 PolarHBondContact O-N 3.07Å; N124-Y211 HydrophobicContact CB-CE2 3.79Å; N124-Y211 PolarHBondContact ND2-OH 3.25Å
125	L	98.8	Very high	94.5	Very high	9 Å²	9	69.5 Å²	69.5	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.9	-178.3	-58.3	-176.4	0	0	0	109.7	W110 D111 Q123 W142 Y206 L207 V208	W110-L125 HydrophobicContact CH2-CB 3.82Å; W110-L125 HydrophobicContact CZ3-CB 3.67Å; D111-L125 WeakPolarHBondContact O-CD1 3.44Å; Q123-L125 HydrophobicContact CG-CD2 3.79Å; Q123-L125 HydrophobicContact CG-CG 4.37Å; L125-W142 PolarHBondContact O-NE1 3.07Å; L125-Y206 HydrophobicContact CB-CE2 4.18Å; L125-Y206 HydrophobicContact CD1-CE2 4.49Å; L125-Y206 HydrophobicContact CD2-CE2 3.96Å; L125-Y206 WeakPolarHBondContact CD2-OH 3.44Å; L125-Y206 HydrophobicContact CG-CE2 4.44Å; L125-L207 WeakPolarHBondContact CA-O 3.36Å; L125-V208 HydrophobicContact CD2-CB 4.16Å; L125-V208 HydrophobicContact CD2-CG1 3.88Å; L125-V208 HydrophobicContact CD2-CG2 3.85Å
126	S	98.1	Very high	94.6	Very high	14 Å²	14	66.3 Å²	66.3	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.6	173.9	-176	0	0	0	0	109.5	L138 L207	S126-L138 WeakPolarHBondContact CB-O 3.43Å; S126-L138 WeakPolarHBondContact OG-CA 3.47Å; S126-L138 WeakPolarHBondContact OG-CB 3.44Å; S126-L138 PolarHBondContact OG-O 3.4Å; S126-L207 PolarHBondContact N-O 3.44Å; S126-L207 PolarHBondContact O-N 3.21Å
127	V	97.1	Very high	94.7	Very high	17 Å²	17	64 Å²	64	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.7	-179.6	68	0	0	0	0	110	W110 M194 V196 W197 W201 A204 V205	W110-V127 HydrophobicContact CD2-CB 4.49Å; W110-V127 HydrophobicContact CD2-CG1 3.96Å; W110-V127 HydrophobicContact CE3-CB 3.81Å; W110-V127 HydrophobicContact CE3-CG1 3.74Å; W110-V127 HydrophobicContact CH2-CB 4Å; W110-V127 HydrophobicContact CH2-CG1 3.55Å; W110-V127 HydrophobicContact CZ2-CG1 3.76Å; W110-V127 HydrophobicContact CZ3-CB 3.51Å; W110-V127 HydrophobicContact CZ3-CG1 3.51Å; V127-M194 HydrophobicContact CG2-CE 4.47Å; V127-M194 HydrophobicContact CG2-SD 4.22Å; V127-V196 HydrophobicContact CG1-CG1 3.73Å; V127-V196 HydrophobicContact CG1-CG2 4.32Å; V127-V196 HydrophobicContact CG2-CG2 4.09Å; V127-W197 HydrophobicContact CG1-CH2 4.36Å; V127-W201 HydrophobicContact CG1-CE3 4.47Å; V127-W201 HydrophobicContact CG1-CZ3 4Å; V127-W201 HydrophobicContact CG2-CE3 4.07Å; V127-W201 HydrophobicContact CG2-CZ3 4.24Å; V127-A204 HydrophobicContact CG2-CB 3.97Å; V127-V205 VanDerWaalsContact CA-O 3.31Å; V127-V205 WeakPolarHBondContact CA-O 3.38Å
128	R	94.7	Very high	94.8	Very high	68 Å²	68	62 Å²	62	26%	0.257	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.3	172.5	63.8	169	-67	-173.8	0.9	111.5	R131 Y132 L138 A204 V205	R128-R131 VanDerWaalsContact CZ-O 3.32Å; R128-R131 PolarHBondContact NH1-O 3.48Å; R128-R131 PolarHBondContact NH2-O 3.09Å; R128-Y132 VanDerWaalsContact NH1-CA 3.26Å; R128-L138 HydrophobicContact CG-CD2 4.06Å; R128-L138 HydrophobicContact CG-CG 4.32Å; R128-A204 WeakPolarHBondContact O-CA 3.47Å; R128-V205 HydrophobicContact CG-CB 4Å; R128-V205 PolarHBondContact N-O 2.96Å; R128-V205 PolarHBondContact O-N 3.22Å
129	T	90.6	Very high	94.9	Very high	72 Å²	72	60 Å²	60	44%	0.442	27%	0.273	S	S	.	.	S	Bend	trans	-94.1	161.7	165.6	58.1	0	0	0	0	111.2	W201	T129-W201 HydrophobicContact CG2-CB 4.03Å; T129-W201 HydrophobicContact CG2-CD2 3.7Å; T129-W201 HydrophobicContact CG2-CE3 3.46Å; T129-W201 VanDerWaalsContact CG2-CE3 3.46Å; T129-W201 HydrophobicContact CG2-CG 3.99Å; T129-W201 HydrophobicContact CG2-CZ3 4.14Å
130	G	84.2	Confident	95.1	Very high	45 Å²	45	57.2 Å²	57.2	46%	0.464	27%	0.265	S	S	.	.	S	Bend	trans	75.3	-175.5	175.3	0	0	0	0	0	114.2
131	R	84.8	Confident	95.3	Very high	229 Å²	229	54.1 Å²	54.1	86%	0.864	26%	0.258	S	S	*	.			trans	-77.8	141.8	-179.8	-63.3	-178.2	-178.4	176.9	0.7	110.4	R128	R128-R131 VanDerWaalsContact CZ-O 3.32Å; R128-R131 PolarHBondContact NH1-O 3.48Å; R128-R131 PolarHBondContact NH2-O 3.09Å
132	Y	88.3	Confident	95.4	Very high	73 Å²	73	53.4 Å²	53.4	29%	0.286	25%	0.254	S	S	.	.			trans	-105.7	150.1	168	69.5	-84.2	0	0	0	110.4	R128 I135 L138 I188 V205	R128-Y132 VanDerWaalsContact NH1-CA 3.26Å; Y132-I135 HydrophobicContact CE2-CD1 4.47Å; Y132-L138 HydrophobicContact CD2-CD1 4.35Å; Y132-L138 HydrophobicContact CG-CD1 4.17Å; Y132-I188 HydrophobicContact CD1-CD1 4.44Å; Y132-I188 HydrophobicContact CE1-CD1 3.62Å; Y132-I188 HydrophobicContact CE2-CD1 4.33Å; Y132-I188 WeakPolarHBondContact OH-CD1 3.42Å; Y132-V205 HydrophobicContact CD1-CG1 3.83Å; Y132-V205 HydrophobicContact CD1-CG2 4.21Å; Y132-V205 HydrophobicContact CE1-CG1 3.79Å; Y132-V205 HydrophobicContact CE1-CG2 4.48Å
133	R	90.6	Very high	95.4	Very high	241 Å²	241	56.5 Å²	56.5	91%	0.909	27%	0.266	S	S	*	.	S	Bend	trans	-97.5	-25.7	177	-66.5	-175.2	-179.3	174.5	0.4	112.8
134	S	95.2	Very high	95.4	Very high	46 Å²	46	58.9 Å²	58.9	32%	0.322	28%	0.279	S	S	.	.			trans	-148.3	139.3	-179.7	170.5	0	0	0	0	108.9	L136 Q137	S134-L136 PolarHBondContact O-N 2.87Å; S134-L136 PolarHBondContact OG-N 3.35Å; S134-Q137 WeakPolarHBondContact O-CB 3.47Å; S134-Q137 WeakPolarHBondContact O-CG 3.24Å; S134-Q137 PolarHBondContact O-N 3.48Å
135	I	96.6	Very high	95.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-28	175.9	-166.3	63	0	0	0	112.4	D66 A69 I70 Y132 Q137 L138 I188 L207	D66-I135 HydrophobicContact CB-CB 3.94Å; D66-I135 HydrophobicContact CB-CG1 4.12Å; D66-I135 HydrophobicContact CB-CG2 3.83Å; D66-I135 WeakPolarHBondContact OD1-CB 3.22Å; D66-I135 WeakPolarHBondContact OD1-CG2 3.3Å; A69-I135 HydrophobicContact CB-CG2 3.99Å; I70-I135 HydrophobicContact CD1-CG1 3.76Å; I70-I135 HydrophobicContact CG1-CG1 3.93Å; I70-I135 HydrophobicContact CG1-CG2 4.03Å; Y132-I135 HydrophobicContact CE2-CD1 4.47Å; I135-Q137 PolarHBondContact O-N 3.27Å; I135-Q137 VanDerWaalsContact O-N 3.1Å; I135-L138 HydrophobicContact CD1-CD1 4.2Å; I135-L138 WeakPolarHBondContact O-CB 3.27Å; I135-L138 PolarHBondContact O-N 3.44Å; I135-I188 HydrophobicContact CD1-CB 4.47Å; I135-I188 HydrophobicContact CD1-CD1 3.55Å; I135-L207 HydrophobicContact CD1-CD1 4.28Å; I135-L207 HydrophobicContact CD1-CD2 4.3Å
136	L	97.9	Very high	95.3	Very high	33 Å²	33	61.4 Å²	61.4	17%	0.173	29%	0.293	C	S	.	.	H	α-helix	trans	-63.5	-18.4	178.3	-64.1	-175.8	0	0	0	113.1	A69 Y73 S134 L138 V139 K140	A69-L136 HydrophobicContact CB-CD2 4.45Å; A69-L136 HydrophobicContact CB-CG 4.44Å; Y73-L136 HydrophobicContact CD1-CD2 4.23Å; Y73-L136 HydrophobicContact CG-CD2 3.88Å; S134-L136 PolarHBondContact O-N 2.87Å; S134-L136 PolarHBondContact OG-N 3.35Å; L136-L138 PolarHBondContact O-N 3.23Å; L136-V139 HydrophobicContact CD2-CB 4.49Å; L136-V139 PolarHBondContact O-N 3.33Å; L136-K140 HydrophobicContact CB-CD 4.42Å; L136-K140 HydrophobicContact CB-CG 4.32Å; L136-K140 WeakPolarHBondContact O-CB 3.44Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.1Å; L136-K140 PolarHBondContact O-N 3.03Å
137	Q	97.6	Very high	95.3	Very high	90 Å²	90	68 Å²	68	42%	0.421	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-22.8	171.2	-66	-178.3	-18.7	0	0	112.6	S134 I135 P141	S134-Q137 WeakPolarHBondContact O-CB 3.47Å; S134-Q137 WeakPolarHBondContact O-CG 3.24Å; S134-Q137 PolarHBondContact O-N 3.48Å; I135-Q137 PolarHBondContact O-N 3.27Å; I135-Q137 VanDerWaalsContact O-N 3.1Å; Q137-P141 WeakPolarHBondContact O-CD 3.19Å
138	L	97.9	Very high	95.4	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.005	33%	0.331	C	S	.	.	H	α-helix	trans	-92.2	-20.6	175.3	-68.8	105.4	0	0	0	113	S126 R128 Y132 I135 L136 I188 V205 L207	S126-L138 WeakPolarHBondContact CB-O 3.43Å; S126-L138 WeakPolarHBondContact OG-CA 3.47Å; S126-L138 WeakPolarHBondContact OG-CB 3.44Å; S126-L138 PolarHBondContact OG-O 3.4Å; R128-L138 HydrophobicContact CG-CD2 4.06Å; R128-L138 HydrophobicContact CG-CG 4.32Å; Y132-L138 HydrophobicContact CD2-CD1 4.35Å; Y132-L138 HydrophobicContact CG-CD1 4.17Å; I135-L138 HydrophobicContact CD1-CD1 4.2Å; I135-L138 WeakPolarHBondContact O-CB 3.27Å; I135-L138 PolarHBondContact O-N 3.44Å; L136-L138 PolarHBondContact O-N 3.23Å; L138-I188 HydrophobicContact CD1-CD1 4.36Å; L138-V205 HydrophobicContact CD1-CG1 4.49Å; L138-V205 HydrophobicContact CD2-CG1 4.14Å; L138-L207 HydrophobicContact CB-CB 4.29Å; L138-L207 HydrophobicContact CB-CD2 3.67Å; L138-L207 HydrophobicContact CD2-CB 3.83Å
139	V	98.6	Very high	95.6	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-99.7	-38.5	-174.5	-179	0	0	0	0	112.7	I70 Y73 L136 P141 W142 M176 L207	I70-V139 HydrophobicContact CD1-CG2 4.48Å; I70-V139 HydrophobicContact CG1-CG2 4.1Å; Y73-V139 HydrophobicContact CD1-CG1 3.67Å; Y73-V139 HydrophobicContact CE1-CG1 4.07Å; L136-V139 HydrophobicContact CD2-CB 4.49Å; L136-V139 PolarHBondContact O-N 3.33Å; V139-P141 VanDerWaalsContact C-CD 3.42Å; V139-P141 VanDerWaalsContact C-N 3.33Å; V139-W142 HydrophobicContact CB-CE3 4.19Å; V139-W142 HydrophobicContact CB-CZ3 4.28Å; V139-W142 HydrophobicContact CG1-CE3 3.76Å; V139-W142 HydrophobicContact CG1-CZ3 4Å; V139-W142 HydrophobicContact CG2-CE3 4.34Å; V139-W142 HydrophobicContact CG2-CH2 4.46Å; V139-W142 HydrophobicContact CG2-CZ3 3.92Å; V139-W142 VanDerWaalsContact O-CB 3.31Å; V139-W142 WeakPolarHBondContact O-CB 3.34Å; V139-W142 PolarHBondContact O-N 3.06Å; V139-M176 HydrophobicContact CG1-CE 3.8Å; V139-L207 HydrophobicContact CG2-CD2 3.68Å
140	K	98.4	Very high	95.9	Very high	98 Å²	98	66 Å²	66	43%	0.426	31%	0.313	S	S	.	.	H	α-helix	trans	-55.7	-38.6	179.8	-74.6	-177.7	172.3	-169.4	0	114	Y73 L136 W142 Y143 D144	Y73-K140 HydrophobicContact CE1-CG 4.01Å; Y73-K140 HydrophobicContact CE2-CG 4.15Å; L136-K140 HydrophobicContact CB-CD 4.42Å; L136-K140 HydrophobicContact CB-CG 4.32Å; L136-K140 WeakPolarHBondContact O-CB 3.44Å; L136-K140 VanDerWaalsContact O-CG 3.28Å; L136-K140 WeakPolarHBondContact O-CG 3.1Å; L136-K140 PolarHBondContact O-N 3.03Å; K140-W142 PolarHBondContact O-N 3.42Å; K140-Y143 WeakPolarHBondContact O-CA 3.44Å; K140-Y143 WeakPolarHBondContact O-CB 3.49Å; K140-Y143 PolarHBondContact O-N 3.43Å; K140-D144 PolarHBondContact O-N 3.29Å
141	P	98.4	Very high	96.6	Very high	62 Å²	62	64.5 Å²	64.5	40%	0.403	29%	0.294	S	S	.	.	H	α-helix	trans	-57.9	-31.5	175.5	-27.6	37.1	0	0	0	114.1	Q137 V139 Y143 D144	Q137-P141 WeakPolarHBondContact O-CD 3.19Å; V139-P141 VanDerWaalsContact C-CD 3.42Å; V139-P141 VanDerWaalsContact C-N 3.33Å; P141-Y143 VanDerWaalsContact C-N 3.35Å; P141-D144 PolarHBondContact O-N 2.83Å
142	W	98.8	Very high	97.2	Very high	6 Å²	6	53.8 Å²	53.8	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-39.2	173.5	-60.2	-29.9	0	0	0	111.8	N124 L125 V139 K140 E145 H172 Y173 M176 L207 C209	N124-W142 HydrophobicContact CB-CD2 3.93Å; N124-W142 HydrophobicContact CB-CE3 4.07Å; N124-W142 HydrophobicContact CB-CH2 3.82Å; N124-W142 HydrophobicContact CB-CZ2 3.64Å; N124-W142 HydrophobicContact CB-CZ3 4.02Å; L125-W142 PolarHBondContact O-NE1 3.07Å; V139-W142 HydrophobicContact CB-CE3 4.19Å; V139-W142 HydrophobicContact CB-CZ3 4.28Å; V139-W142 HydrophobicContact CG1-CE3 3.76Å; V139-W142 HydrophobicContact CG1-CZ3 4Å; V139-W142 HydrophobicContact CG2-CE3 4.34Å; V139-W142 HydrophobicContact CG2-CH2 4.46Å; V139-W142 HydrophobicContact CG2-CZ3 3.92Å; V139-W142 VanDerWaalsContact O-CB 3.31Å; V139-W142 WeakPolarHBondContact O-CB 3.34Å; V139-W142 PolarHBondContact O-N 3.06Å; K140-W142 PolarHBondContact O-N 3.42Å; W142-E145 WeakPolarHBondContact O-CG 3.48Å; W142-H172 HydrophobicContact CB-CB 3.6Å; W142-H172 VanDerWaalsContact CD1-CB 3.47Å; W142-H172 AromaticContact CD1-CD2 3.92Å; W142-H172 AromaticContact CD1-CG 3.49Å; W142-H172 VanDerWaalsContact CD1-CG 3.49Å; W142-H172 AromaticContact CD1-ND1 3.84Å; W142-H172 HydrophobicContact CG-CB 3.63Å; W142-H172 AromaticContact NE1-CD2 3.96Å; W142-Y173 VanDerWaalsContact O-CA 3.26Å; W142-Y173 WeakPolarHBondContact O-CA 3.37Å; W142-Y173 VanDerWaalsContact O-CB 3.25Å; W142-Y173 WeakPolarHBondContact O-CB 3.35Å; W142-Y173 PolarHBondContact O-N 3.4Å; W142-M176 HydrophobicContact CB-CG 4.36Å; W142-M176 HydrophobicContact CB-SD 3.47Å; W142-M176 WeakPolarHBondContact CB-SD 3.48Å; W142-M176 HydrophobicContact CE3-SD 4.32Å; W142-L207 HydrophobicContact CH2-CD2 3.73Å; W142-L207 HydrophobicContact CH2-CG 4.1Å; W142-L207 HydrophobicContact CZ2-CD2 4.31Å; W142-L207 HydrophobicContact CZ3-CD2 4.4Å; W142-C209 HydrophobicContact CH2-CB 3.88Å; W142-C209 HydrophobicContact CZ3-CB 4.14Å
143	Y	98.6	Very high	97.5	Very high	67 Å²	67	54.1 Å²	54.1	26%	0.263	26%	0.255	S	S	.	.	H	α-helix	trans	-71.5	-36	175.9	173.7	-102.7	0	0	0	112	Y73 V77 K140 P141 E145 V146 Y173	Y73-Y143 WeakPolarHBondContact OH-CB 3.31Å; Y73-Y143 VanDerWaalsContact OH-CD1 3.32Å; Y73-Y143 WeakPolarHBondContact OH-CD1 3.38Å; V77-Y143 HydrophobicContact CB-CD2 3.64Å; V77-Y143 HydrophobicContact CB-CE2 3.68Å; V77-Y143 HydrophobicContact CG1-CD1 4.42Å; V77-Y143 HydrophobicContact CG1-CD2 3.48Å; V77-Y143 VanDerWaalsContact CG1-CD2 3.48Å; V77-Y143 HydrophobicContact CG1-CE2 3.65Å; V77-Y143 HydrophobicContact CG1-CG 3.89Å; V77-Y143 HydrophobicContact CG2-CD2 4.17Å; K140-Y143 WeakPolarHBondContact O-CA 3.44Å; K140-Y143 WeakPolarHBondContact O-CB 3.49Å; K140-Y143 PolarHBondContact O-N 3.43Å; P141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-E145 PolarHBondContact O-N 2.84Å; Y143-E145 VanDerWaalsContact O-N 3.08Å; Y143-V146 HydrophobicContact CE1-CG1 4.27Å; Y143-V146 HydrophobicContact CE2-CG1 4.43Å; Y143-V146 VanDerWaalsContact O-CB 3.3Å; Y143-V146 WeakPolarHBondContact O-CB 3.31Å; Y143-V146 WeakPolarHBondContact O-CG1 3.11Å; Y143-V146 PolarHBondContact O-N 3.14Å; Y143-Y173 HydrophobicContact CD2-CD2 4.02Å; Y143-Y173 AromaticContact CD2-CE2 3.96Å; Y143-Y173 HydrophobicContact CD2-CE2 3.96Å; Y143-Y173 HydrophobicContact CE2-CE2 4.02Å
144	D	98.5	Very high	97.7	Very high	64 Å²	64	46.9 Å²	46.9	34%	0.342	24%	0.24	S	C	.	.	H	α-helix	trans	-58.9	-22.4	-178.3	-78.6	-45.9	0	0	0	113.3	K140 P141 V146 K147	K140-D144 PolarHBondContact O-N 3.29Å; P141-D144 PolarHBondContact O-N 2.83Å; D144-V146 PolarHBondContact O-N 2.92Å; D144-V146 VanDerWaalsContact O-N 3.11Å; D144-K147 VanDerWaalsContact CG-NZ 3.34Å; D144-K147 WeakPolarHBondContact O-CB 3.37Å; D144-K147 WeakPolarHBondContact O-CD 3.48Å; D144-K147 WeakPolarHBondContact O-CG 3.32Å; D144-K147 PolarHBondContact O-N 3.34Å; D144-K147 VanDerWaalsContact O-N 3.12Å; D144-K147 IonicContact OD1-NZ 2.73Å; D144-K147 PolarHBondContact OD1-NZ 2.97Å
145	E	98.8	Very high	97.7	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.093	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.2	-16.4	173.1	-51.1	179	162.9	0	0	113.2	W142 Y143 K147 D148 Y149 M169 C170 T171 H172 Y173	W142-E145 WeakPolarHBondContact O-CG 3.48Å; Y143-E145 PolarHBondContact O-N 2.84Å; Y143-E145 VanDerWaalsContact O-N 3.08Å; E145-K147 PolarHBondContact O-N 2.95Å; E145-K147 VanDerWaalsContact O-N 3.1Å; E145-D148 PolarHBondContact O-N 3.2Å; E145-Y149 PolarHBondContact O-N 3.5Å; E145-M169 WeakPolarHBondContact CB-O 3.36Å; E145-M169 VanDerWaalsContact CD-O 3.31Å; E145-M169 WeakPolarHBondContact CG-O 3.02Å; E145-M169 WeakPolarHBondContact OE1-CB 3.46Å; E145-M169 VanDerWaalsContact OE1-CG 3.27Å; E145-M169 WeakPolarHBondContact OE1-CG 3.35Å; E145-C170 WeakPolarHBondContact OE2-CA 3.37Å; E145-T171 PolarHBondContact OE2-N 2.04Å; E145-H172 IonicContact OE1-CE1 2.8Å; E145-H172 IonicContact OE1-CG 3.65Å; E145-H172 IonicContact OE1-ND1 3.56Å; E145-H172 PolarHBondContact OE1-ND1 3.17Å; E145-H172 WeakPolarHBondContact OE2-CA 3.35Å; E145-H172 WeakPolarHBondContact OE2-CB 3.02Å; E145-H172 IonicContact OE2-CG 3.94Å; E145-H172 PolarHBondContact OE2-N 3.27Å; E145-H172 IonicContact OE2-ND1 3.49Å; E145-Y173 PolarHBondContact OE2-N 2.87Å
146	V	98.3	Very high	97.6	Very high	43 Å²	43	54.1 Å²	54.1	26%	0.261	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-53.5	-28.8	171.3	70.7	0	0	0	0	112.6	Y143 D144 D148 Y149 Y173	Y143-V146 HydrophobicContact CE1-CG1 4.27Å; Y143-V146 HydrophobicContact CE2-CG1 4.43Å; Y143-V146 VanDerWaalsContact O-CB 3.3Å; Y143-V146 WeakPolarHBondContact O-CB 3.31Å; Y143-V146 WeakPolarHBondContact O-CG1 3.11Å; Y143-V146 PolarHBondContact O-N 3.14Å; D144-V146 PolarHBondContact O-N 2.92Å; D144-V146 VanDerWaalsContact O-N 3.11Å; V146-D148 PolarHBondContact O-N 3Å; V146-Y149 PolarHBondContact O-N 3.03Å; V146-Y173 HydrophobicContact CB-CD1 4.38Å; V146-Y173 HydrophobicContact CB-CD2 3.78Å; V146-Y173 HydrophobicContact CB-CE1 4.25Å; V146-Y173 HydrophobicContact CB-CE2 3.62Å; V146-Y173 HydrophobicContact CB-CG 4.16Å; V146-Y173 HydrophobicContact CG2-CD2 4.32Å; V146-Y173 HydrophobicContact CG2-CE1 3.98Å; V146-Y173 HydrophobicContact CG2-CE2 3.66Å; V146-Y173 VanDerWaalsContact CG2-CZ 3.47Å
147	K	98.2	Very high	97.5	Very high	152 Å²	152	54.2 Å²	54.2	66%	0.661	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-64.1	-26.8	178.4	-64.8	166.5	-168.7	153.1	0	112.5	D144 E145	D144-K147 VanDerWaalsContact CG-NZ 3.34Å; D144-K147 WeakPolarHBondContact O-CB 3.37Å; D144-K147 WeakPolarHBondContact O-CD 3.48Å; D144-K147 WeakPolarHBondContact O-CG 3.32Å; D144-K147 PolarHBondContact O-N 3.34Å; D144-K147 VanDerWaalsContact O-N 3.12Å; D144-K147 IonicContact OD1-NZ 2.73Å; D144-K147 PolarHBondContact OD1-NZ 2.97Å; E145-K147 PolarHBondContact O-N 2.95Å; E145-K147 VanDerWaalsContact O-N 3.1Å
148	D	98.3	Very high	97.3	Very high	62 Å²	62	56.9 Å²	56.9	33%	0.332	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-107.3	-3.8	-176	-64.5	-41.2	0	0	0	112.4	E145 V146 C165 Y166	E145-D148 PolarHBondContact O-N 3.2Å; V146-D148 PolarHBondContact O-N 3Å; D148-C165 WeakPolarHBondContact O-CA 3.47Å; D148-Y166 WeakPolarHBondContact O-CD2 3.22Å; D148-Y166 PolarHBondContact O-N 2.8Å
149	Y	98.4	Very high	97.1	Very high	25 Å²	25	62.8 Å²	62.8	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.4	-176.7	176.3	-102	0	0	0	111.7	E145 V146 F151 P152 L163 C170 Y173 T174 P222	E145-Y149 PolarHBondContact O-N 3.5Å; V146-Y149 PolarHBondContact O-N 3.03Å; Y149-F151 HydrophobicContact CE1-CB 4.05Å; Y149-F151 HydrophobicContact CE1-CD2 4.23Å; Y149-P152 WeakPolarHBondContact OH-CD 3.34Å; Y149-L163 HydrophobicContact CD2-CD1 4.35Å; Y149-L163 HydrophobicContact CE2-CD1 3.92Å; Y149-C170 HydrophobicContact CD2-CB 4.06Å; Y149-Y173 AromaticContact CD1-CD1 3.86Å; Y149-Y173 HydrophobicContact CD1-CD1 3.86Å; Y149-Y173 AromaticContact CD1-CE1 3.45Å; Y149-Y173 HydrophobicContact CD1-CE1 3.45Å; Y149-Y173 VanDerWaalsContact CD1-CE1 3.45Å; Y149-Y173 HydrophobicContact CE1-CD1 4.43Å; Y149-Y173 AromaticContact CE1-CE1 3.89Å; Y149-Y173 HydrophobicContact CE1-CE1 3.89Å; Y149-Y173 AromaticContact CG-CD1 3.97Å; Y149-Y173 HydrophobicContact CG-CD1 3.97Å; Y149-Y173 HydrophobicContact CG-CE1 4.06Å; Y149-T174 HydrophobicContact CD2-CG2 3.81Å; Y149-T174 HydrophobicContact CE1-CG2 4.34Å; Y149-T174 HydrophobicContact CE2-CG2 3.38Å; Y149-T174 HydrophobicContact CG-CG2 4.44Å; Y149-P222 WeakPolarHBondContact OH-CD 3.4Å; Y149-P222 WeakPolarHBondContact OH-CG 3.04Å
150	A	98	Very high	97	Very high	28 Å²	28	70.9 Å²	70.9	23%	0.231	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123	168.2	0	0	0	0	0	110.7	R164 Y166	A150-R164 HydrophobicContact CB-CB 3.87Å; A150-R164 PolarHBondContact N-O 3.4Å; A150-Y166 HydrophobicContact CB-CE2 3.87Å
151	F	98.1	Very high	96.9	Very high	15 Å²	15	67.3 Å²	67.3	7%	0.066	35%	0.346	C	S	.	.			trans	-64.2	130.5	180	-173.4	-84.5	0	0	0	111.6	P83 Y149 Y153 A221 P222 Y223 V225	P83-F151 HydrophobicContact CG-CB 4.13Å; P83-F151 HydrophobicContact CG-CD1 3.58Å; P83-F151 HydrophobicContact CG-CD2 4.17Å; P83-F151 HydrophobicContact CG-CE1 4.04Å; P83-F151 HydrophobicContact CG-CG 3.66Å; P83-F151 HydrophobicContact CG-CZ 4.48Å; Y149-F151 HydrophobicContact CE1-CB 4.05Å; Y149-F151 HydrophobicContact CE1-CD2 4.23Å; F151-Y153 HydrophobicContact CD1-CG 4.45Å; F151-Y153 PolarHBondContact O-N 3.02Å; F151-A221 HydrophobicContact CE2-CB 4.5Å; F151-A221 HydrophobicContact CZ-CB 4.07Å; F151-P222 HydrophobicContact CD2-CG 4.18Å; F151-P222 HydrophobicContact CE2-CG 3.89Å; F151-Y223 HydrophobicContact CD2-CE1 4.02Å; F151-Y223 AromaticContact CD2-CE2 3.75Å; F151-Y223 HydrophobicContact CD2-CE2 3.75Å; F151-Y223 AromaticContact CD2-CZ 3.46Å; F151-Y223 VanDerWaalsContact CD2-CZ 3.46Å; F151-Y223 WeakPolarHBondContact CD2-OH 3.35Å; F151-Y223 HydrophobicContact CE2-CD1 4.07Å; F151-Y223 AromaticContact CE2-CD2 3.54Å; F151-Y223 HydrophobicContact CE2-CD2 3.54Å; F151-Y223 AromaticContact CE2-CE1 3.75Å; F151-Y223 HydrophobicContact CE2-CE1 3.75Å; F151-Y223 AromaticContact CE2-CE2 3.18Å; F151-Y223 HydrophobicContact CE2-CE2 3.18Å; F151-Y223 AromaticContact CE2-CG 3.98Å; F151-Y223 HydrophobicContact CE2-CG 3.98Å; F151-Y223 AromaticContact CE2-CZ 3.29Å; F151-Y223 AromaticContact CZ-CD2 3.91Å; F151-Y223 HydrophobicContact CZ-CD2 3.91Å; F151-Y223 AromaticContact CZ-CE2 3.76Å; F151-Y223 HydrophobicContact CZ-CE2 3.76Å; F151-Y223 WeakPolarHBondContact CZ-O 3.43Å; F151-V225 HydrophobicContact CD1-CG2 3.91Å; F151-V225 HydrophobicContact CE1-CG2 3.11Å; F151-V225 HydrophobicContact CZ-CG2 3.49Å; F151-V225 VanDerWaalsContact CZ-CG2 3.49Å
152	P	96.9	Very high	96.8	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.026	34%	0.341	C	S	.	.			trans	-80.4	110.9	175	30.9	-31.4	0	0	0	110.4	Y149 C161 P162 A221	Y149-P152 WeakPolarHBondContact OH-CD 3.34Å; P152-C161 HydrophobicContact CB-CB 4.04Å; P152-C161 HydrophobicContact CG-CB 4.05Å; P152-P162 HydrophobicContact CB-CG 4.27Å; P152-P162 WeakPolarHBondContact CB-O 3.24Å; P152-A221 HydrophobicContact CG-CB 3.9Å
153	Y	96.1	Very high	96.7	Very high	79 Å²	79	71.4 Å²	71.4	31%	0.31	37%	0.367	S	S	.	.			trans	-74.1	158.8	177.5	-72.3	-89.9	0	0	0	111.4	P83 F151 Q155 D156 C157 V225	P83-Y153 HydrophobicContact CB-CE1 4.19Å; P83-Y153 HydrophobicContact CG-CE1 4.02Å; F151-Y153 HydrophobicContact CD1-CG 4.45Å; F151-Y153 PolarHBondContact O-N 3.02Å; Y153-Q155 VanDerWaalsContact CB-OE1 3.24Å; Y153-Q155 PolarHBondContact O-N 2.93Å; Y153-Q155 VanDerWaalsContact O-N 3.08Å; Y153-D156 PolarHBondContact N-OD2 3.49Å; Y153-D156 WeakPolarHBondContact O-CA 3.46Å; Y153-D156 WeakPolarHBondContact O-CB 3.43Å; Y153-D156 PolarHBondContact O-N 3.35Å; Y153-C157 PolarHBondContact O-SG 3.41Å; Y153-V225 HydrophobicContact CD1-CG2 4.34Å
154	P	94.8	Very high	96.6	Very high	90 Å²	90	72.1 Å²	72.1	58%	0.584	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-51.8	-36.1	-177.7	-29.8	36.7	0	0	0	114.7	D156 C157	P154-D156 PolarHBondContact O-N 3.08Å; P154-C157 PolarHBondContact O-N 3.23Å; P154-C157 VanDerWaalsContact O-N 3.14Å
155	Q	95.3	Very high	96.6	Very high	144 Å²	144	71.1 Å²	71.1	67%	0.673	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.7	176.8	66.3	-85.1	14.1	0	0	114.2	Y153 C157	Y153-Q155 VanDerWaalsContact CB-OE1 3.24Å; Y153-Q155 PolarHBondContact O-N 2.93Å; Y153-Q155 VanDerWaalsContact O-N 3.08Å; Q155-C157 VanDerWaalsContact C-N 3.34Å
156	D	94.6	Very high	96.6	Very high	53 Å²	53	78.6 Å²	78.6	28%	0.283	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-84.2	-11.9	176.1	-64	-56.2	0	0	0	112.1	Y153 P154 P162 R164	Y153-D156 PolarHBondContact N-OD2 3.49Å; Y153-D156 WeakPolarHBondContact O-CA 3.46Å; Y153-D156 WeakPolarHBondContact O-CB 3.43Å; Y153-D156 PolarHBondContact O-N 3.35Å; P154-D156 PolarHBondContact O-N 3.08Å; D156-P162 HydrophobicContact CB-CG 4.26Å; D156-P162 VanDerWaalsContact O-CD 3.32Å; D156-P162 WeakPolarHBondContact O-CD 2.85Å; D156-R164 VanDerWaalsContact CG-NH1 3.33Å; D156-R164 IonicContact OD1-CZ 2.81Å; D156-R164 IonicContact OD1-NH1 3.54Å; D156-R164 IonicContact OD1-NH2 3.79Å; D156-R164 PolarHBondContact OD1-NH2 3.16Å; D156-R164 IonicContact OD2-CZ 3.83Å; D156-R164 IonicContact OD2-NH1 3.48Å; D156-R164 PolarHBondContact OD2-NH1 3.06Å; D156-R164 IonicContact OD2-NH2 2.7Å; D156-R164 PolarHBondContact OD2-NH2 3.32Å
157	C	96.1	Very high	96.4	Very high	36 Å²	36	77.7 Å²	77.7	24%	0.243	40%	0.395	C	S	.	.			trans	-96.2	93.8	-174.1	-60.5	0	0	0	0	111.4	Y153 P154 Q155 C161	Y153-C157 PolarHBondContact O-SG 3.41Å; P154-C157 PolarHBondContact O-N 3.23Å; P154-C157 VanDerWaalsContact O-N 3.14Å; Q155-C157 VanDerWaalsContact C-N 3.34Å; C157-C161 HydrophobicContact CB-CB 4.04Å; C157-C161 WeakPolarHBondContact CB-SG 3.32Å; C157-C161 WeakPolarHBondContact SG-CA 2.93Å; C157-C161 WeakPolarHBondContact SG-CB 3.45Å; C157-C161 CovalentContact SG-SG 2.04Å; C157-C161 PolarHBondContact SG-SG 2.76Å
158	N	92.1	Very high	96.3	Very high	146 Å²	146	76.7 Å²	76.7	78%	0.781	40%	0.404	S	S	*	.	S	Bend	trans	-152.7	113.3	175.6	-176.4	13.8	0	0	0	112.5	R160	N158-R160 PolarHBondContact N-O 2.77Å
159	P	93.2	Very high	96.2	Very high	124 Å²	124	77.6 Å²	77.6	81%	0.805	41%	0.407	S	S	*	.	S	Bend	cis	-76.3	-2.4	-16.8	33.8	-35.6	0	0	0	112.5
160	R	96.8	Very high	96.2	Very high	170 Å²	170	76.5 Å²	76.5	64%	0.642	40%	0.404	S	S	*	.	S	Bend	trans	-126.4	147	-176.6	-69.9	-179.2	-173.5	170.1	2.1	109.5	N158	N158-R160 PolarHBondContact N-O 2.77Å
161	C	97.2	Very high	96.2	Very high	23 Å²	23	77.4 Å²	77.4	16%	0.155	41%	0.406	C	S	.	.			trans	-75.8	133.9	171.4	-61.5	0	0	0	0	111.2	P152 C157 G219	P152-C161 HydrophobicContact CB-CB 4.04Å; P152-C161 HydrophobicContact CG-CB 4.05Å; C157-C161 HydrophobicContact CB-CB 4.04Å; C157-C161 WeakPolarHBondContact CB-SG 3.32Å; C157-C161 WeakPolarHBondContact SG-CA 2.93Å; C157-C161 WeakPolarHBondContact SG-CB 3.45Å; C157-C161 CovalentContact SG-SG 2.04Å; C157-C161 PolarHBondContact SG-SG 2.76Å; C161-G219 PolarHBondContact N-O 3.25Å; C161-G219 WeakPolarHBondContact O-CA 3.31Å
162	P	96.9	Very high	96.2	Very high	45 Å²	45	77.9 Å²	77.9	29%	0.292	41%	0.408	S	S	.	.			trans	-74.4	139.3	174.5	29.9	-34.1	0	0	0	111.2	P152 D156 R164	P152-P162 HydrophobicContact CB-CG 4.27Å; P152-P162 WeakPolarHBondContact CB-O 3.24Å; D156-P162 HydrophobicContact CB-CG 4.26Å; D156-P162 VanDerWaalsContact O-CD 3.32Å; D156-P162 WeakPolarHBondContact O-CD 2.85Å; P162-R164 HydrophobicContact CB-CG 4.41Å; P162-R164 HydrophobicContact CG-CG 4.47Å; P162-R164 PolarHBondContact O-N 3.16Å
163	L	95.9	Very high	96.3	Very high	109 Å²	109	77.8 Å²	77.8	57%	0.571	41%	0.408	S	S	*	.			trans	-83.7	104.6	164.7	178.1	63.6	0	0	0	108.6	Y149 T171	Y149-L163 HydrophobicContact CD2-CD1 4.35Å; Y149-L163 HydrophobicContact CE2-CD1 3.92Å; L163-T171 HydrophobicContact CD2-CG2 4.2Å
164	R	97.2	Very high	96.4	Very high	82 Å²	82	74.3 Å²	74.3	31%	0.309	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	100.4	176.6	-64.6	178	178.5	149.3	0	109.8	A150 D156 P162	A150-R164 HydrophobicContact CB-CB 3.87Å; A150-R164 PolarHBondContact N-O 3.4Å; D156-R164 VanDerWaalsContact CG-NH1 3.33Å; D156-R164 IonicContact OD1-CZ 2.81Å; D156-R164 IonicContact OD1-NH1 3.54Å; D156-R164 IonicContact OD1-NH2 3.79Å; D156-R164 PolarHBondContact OD1-NH2 3.16Å; D156-R164 IonicContact OD2-CZ 3.83Å; D156-R164 IonicContact OD2-NH1 3.48Å; D156-R164 PolarHBondContact OD2-NH1 3.06Å; D156-R164 IonicContact OD2-NH2 2.7Å; D156-R164 PolarHBondContact OD2-NH2 3.32Å; P162-R164 HydrophobicContact CB-CG 4.41Å; P162-R164 HydrophobicContact CG-CG 4.47Å; P162-R164 PolarHBondContact O-N 3.16Å
165	C	97.7	Very high	96.6	Very high	43 Å²	43	70.1 Å²	70.1	29%	0.291	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.9	177.7	-173.8	0	0	0	0	109.4	D148 M169 C170	D148-C165 WeakPolarHBondContact O-CA 3.47Å; C165-M169 VanDerWaalsContact SG-C 3.59Å; C165-C170 VanDerWaalsContact CA-SG 3.52Å; C165-C170 HydrophobicContact CB-CB 3.71Å; C165-C170 WeakPolarHBondContact CB-SG 3.33Å; C165-C170 WeakPolarHBondContact SG-CB 3.36Å; C165-C170 PolarHBondContact SG-N 3.35Å; C165-C170 VanDerWaalsContact SG-N 3.39Å; C165-C170 CovalentContact SG-SG 2.04Å; C165-C170 PolarHBondContact SG-SG 3.06Å
166	Y	97.6	Very high	96.8	Very high	177 Å²	177	63.3 Å²	63.3	69%	0.694	34%	0.335	S	S	*	.			trans	-104.6	-4.1	-178.4	-57.5	-73.4	0	0	0	113.1	D148 A150	D148-Y166 WeakPolarHBondContact O-CD2 3.22Å; D148-Y166 PolarHBondContact O-N 2.8Å; A150-Y166 HydrophobicContact CB-CE2 3.87Å
167	G	96	Very high	97	Very high	24 Å²	24	60.8 Å²	60.8	25%	0.247	32%	0.322	C	S	.	.	S	Bend	trans	-107.4	-176.6	177.9	0	0	0	0	0	111.9	M169	G167-M169 VanDerWaalsContact C-N 3.25Å; G167-M169 PolarHBondContact O-N 3.04Å
168	P	95.1	Very high	97.1	Very high	131 Å²	131	59.5 Å²	59.5	85%	0.851	31%	0.312	S	S	*	.	S	Bend	trans	-68.9	-24.3	-179.2	28.6	-35	0	0	0	113.1
169	M	96.5	Very high	97.5	Very high	81 Å²	81	52.7 Å²	52.7	40%	0.399	28%	0.276	S	S	.	.			trans	-157.5	138.5	-178	-167.7	68.6	86.6	0	0	110.1	E145 C165 G167 T171 H172	E145-M169 WeakPolarHBondContact CB-O 3.36Å; E145-M169 VanDerWaalsContact CD-O 3.31Å; E145-M169 WeakPolarHBondContact CG-O 3.02Å; E145-M169 WeakPolarHBondContact OE1-CB 3.46Å; E145-M169 VanDerWaalsContact OE1-CG 3.27Å; E145-M169 WeakPolarHBondContact OE1-CG 3.35Å; C165-M169 VanDerWaalsContact SG-C 3.59Å; G167-M169 VanDerWaalsContact C-N 3.25Å; G167-M169 PolarHBondContact O-N 3.04Å; M169-T171 PolarHBondContact SD-OG1 2.81Å; M169-H172 WeakPolarHBondContact CG-ND1 3.17Å
170	C	98.1	Very high	97.7	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.02	25%	0.252	C	S	.	.			trans	-132.4	-4.3	170.9	-59	0	0	0	0	113.4	E145 Y149 C165 H172 Y173 T174	E145-C170 WeakPolarHBondContact OE2-CA 3.37Å; Y149-C170 HydrophobicContact CD2-CB 4.06Å; C165-C170 VanDerWaalsContact CA-SG 3.52Å; C165-C170 HydrophobicContact CB-CB 3.71Å; C165-C170 WeakPolarHBondContact CB-SG 3.33Å; C165-C170 WeakPolarHBondContact SG-CB 3.36Å; C165-C170 PolarHBondContact SG-N 3.35Å; C165-C170 VanDerWaalsContact SG-N 3.39Å; C165-C170 CovalentContact SG-SG 2.04Å; C165-C170 PolarHBondContact SG-SG 3.06Å; C170-H172 VanDerWaalsContact C-N 3.33Å; C170-H172 PolarHBondContact O-N 3.49Å; C170-Y173 PolarHBondContact O-N 2.97Å; C170-T174 PolarHBondContact O-N 3.15Å; C170-T174 VanDerWaalsContact O-N 3.14Å; C170-T174 PolarHBondContact O-OG1 3.42Å
171	T	98	Very high	97.8	Very high	47 Å²	47	41.1 Å²	41.1	29%	0.288	22%	0.222	S	C	.	.	H	α-helix	trans	-77.3	-20.5	-170.5	56.1	0	0	0	0	112.6	E145 L163 M169 T174 Q175 N216	E145-T171 PolarHBondContact OE2-N 2.04Å; L163-T171 HydrophobicContact CD2-CG2 4.2Å; M169-T171 PolarHBondContact SD-OG1 2.81Å; T171-T174 WeakPolarHBondContact CA-OG1 3.35Å; T171-T174 PolarHBondContact O-OG1 2.68Å; T171-Q175 WeakPolarHBondContact O-CB 3.1Å; T171-Q175 PolarHBondContact O-N 3.33Å; T171-Q175 VanDerWaalsContact O-N 3.12Å; T171-N216 PolarHBondContact O-ND2 3.03Å
172	H	98.8	Very high	97.8	Very high	24 Å²	24	41.4 Å²	41.4	11%	0.111	22%	0.222	C	C	.	.	H	α-helix	trans	-71.5	-44.4	173.1	-54.2	116	0	0	0	109.9	N124 W142 E145 M169 C170 Q175 M176	N124-H172 PolarHBondContact ND2-O 2.95Å; W142-H172 HydrophobicContact CB-CB 3.6Å; W142-H172 VanDerWaalsContact CD1-CB 3.47Å; W142-H172 AromaticContact CD1-CD2 3.92Å; W142-H172 AromaticContact CD1-CG 3.49Å; W142-H172 VanDerWaalsContact CD1-CG 3.49Å; W142-H172 AromaticContact CD1-ND1 3.84Å; W142-H172 HydrophobicContact CG-CB 3.63Å; W142-H172 AromaticContact NE1-CD2 3.96Å; E145-H172 IonicContact OE1-CE1 2.8Å; E145-H172 IonicContact OE1-CG 3.65Å; E145-H172 IonicContact OE1-ND1 3.56Å; E145-H172 PolarHBondContact OE1-ND1 3.17Å; E145-H172 WeakPolarHBondContact OE2-CA 3.35Å; E145-H172 WeakPolarHBondContact OE2-CB 3.02Å; E145-H172 IonicContact OE2-CG 3.94Å; E145-H172 PolarHBondContact OE2-N 3.27Å; E145-H172 IonicContact OE2-ND1 3.49Å; M169-H172 WeakPolarHBondContact CG-ND1 3.17Å; C170-H172 VanDerWaalsContact C-N 3.33Å; C170-H172 PolarHBondContact O-N 3.49Å; H172-Q175 PolarHBondContact O-N 2.87Å; H172-M176 WeakPolarHBondContact O-CG 3.38Å; H172-M176 PolarHBondContact O-N 2.7Å
173	Y	98.8	Very high	97.9	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-57	-53.5	173.8	168.2	-106.9	0	0	0	111.2	W142 Y143 E145 V146 Y149 C170 Q175 M176 V177	W142-Y173 VanDerWaalsContact O-CA 3.26Å; W142-Y173 WeakPolarHBondContact O-CA 3.37Å; W142-Y173 VanDerWaalsContact O-CB 3.25Å; W142-Y173 WeakPolarHBondContact O-CB 3.35Å; W142-Y173 PolarHBondContact O-N 3.4Å; Y143-Y173 HydrophobicContact CD2-CD2 4.02Å; Y143-Y173 AromaticContact CD2-CE2 3.96Å; Y143-Y173 HydrophobicContact CD2-CE2 3.96Å; Y143-Y173 HydrophobicContact CE2-CE2 4.02Å; E145-Y173 PolarHBondContact OE2-N 2.87Å; V146-Y173 HydrophobicContact CB-CD1 4.38Å; V146-Y173 HydrophobicContact CB-CD2 3.78Å; V146-Y173 HydrophobicContact CB-CE1 4.25Å; V146-Y173 HydrophobicContact CB-CE2 3.62Å; V146-Y173 HydrophobicContact CB-CG 4.16Å; V146-Y173 HydrophobicContact CG2-CD2 4.32Å; V146-Y173 HydrophobicContact CG2-CE1 3.98Å; V146-Y173 HydrophobicContact CG2-CE2 3.66Å; V146-Y173 VanDerWaalsContact CG2-CZ 3.47Å; Y149-Y173 AromaticContact CD1-CD1 3.86Å; Y149-Y173 HydrophobicContact CD1-CD1 3.86Å; Y149-Y173 AromaticContact CD1-CE1 3.45Å; Y149-Y173 HydrophobicContact CD1-CE1 3.45Å; Y149-Y173 VanDerWaalsContact CD1-CE1 3.45Å; Y149-Y173 HydrophobicContact CE1-CD1 4.43Å; Y149-Y173 AromaticContact CE1-CE1 3.89Å; Y149-Y173 HydrophobicContact CE1-CE1 3.89Å; Y149-Y173 AromaticContact CG-CD1 3.97Å; Y149-Y173 HydrophobicContact CG-CD1 3.97Å; Y149-Y173 HydrophobicContact CG-CE1 4.06Å; C170-Y173 PolarHBondContact O-N 2.97Å; Y173-Q175 PolarHBondContact O-N 3.03Å; Y173-M176 WeakPolarHBondContact O-CB 3.46Å; Y173-M176 PolarHBondContact O-N 2.99Å; Y173-V177 HydrophobicContact CD1-CG2 4.32Å; Y173-V177 HydrophobicContact CD2-CG1 4.29Å; Y173-V177 HydrophobicContact CE1-CG2 3.84Å; Y173-V177 HydrophobicContact CE2-CG1 3.71Å; Y173-V177 HydrophobicContact CE2-CG2 4.08Å; Y173-V177 WeakPolarHBondContact O-CG2 3.36Å; Y173-V177 PolarHBondContact O-N 3.02Å; Y173-V177 VanDerWaalsContact O-N 3.08Å
174	T	98.8	Very high	98	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-30.9	-177.5	56.7	0	0	0	0	112.3	Y149 C170 T171 V177 W178 N216 P222	Y149-T174 HydrophobicContact CD2-CG2 3.81Å; Y149-T174 HydrophobicContact CE1-CG2 4.34Å; Y149-T174 HydrophobicContact CE2-CG2 3.38Å; Y149-T174 HydrophobicContact CG-CG2 4.44Å; C170-T174 PolarHBondContact O-N 3.15Å; C170-T174 VanDerWaalsContact O-N 3.14Å; C170-T174 PolarHBondContact O-OG1 3.42Å; T171-T174 WeakPolarHBondContact CA-OG1 3.35Å; T171-T174 PolarHBondContact O-OG1 2.68Å; T174-V177 CarbonylContact O-C 3.5Å; T174-W178 WeakPolarHBondContact O-CB 3.47Å; T174-W178 PolarHBondContact O-N 3.26Å; T174-N216 WeakPolarHBondContact CB-OD1 3.45Å; T174-N216 PolarHBondContact OG1-OD1 2.78Å; T174-P222 HydrophobicContact CG2-CG 4.49Å
175	Q	98.9	Very high	98.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-68.7	-41.6	172.3	-178.2	56.7	84.8	0	0	112.3	G122 T171 H172 Y173 V177 W178 S181 Y211 N216	G122-Q175 VanDerWaalsContact CA-OE1 3.3Å; T171-Q175 WeakPolarHBondContact O-CB 3.1Å; T171-Q175 PolarHBondContact O-N 3.33Å; T171-Q175 VanDerWaalsContact O-N 3.12Å; H172-Q175 PolarHBondContact O-N 2.87Å; Y173-Q175 PolarHBondContact O-N 3.03Å; Q175-V177 PolarHBondContact O-N 3.42Å; Q175-W178 PolarHBondContact O-N 2.88Å; Q175-S181 PolarHBondContact NE2-OG 3.01Å; Q175-Y211 HydrophobicContact CG-CD1 4.11Å; Q175-Y211 HydrophobicContact CG-CD2 3.44Å; Q175-Y211 VanDerWaalsContact CG-CD2 3.44Å; Q175-Y211 HydrophobicContact CG-CE1 4.27Å; Q175-Y211 HydrophobicContact CG-CE2 3.65Å; Q175-Y211 HydrophobicContact CG-CG 3.7Å; Q175-N216 PolarHBondContact N-OD1 3.42Å
176	M	98.9	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.1	-39.2	176.6	-68	-176.8	76.1	0	0	111.5	Y73 V77 R78 V139 W142 H172 Y173	Y73-M176 HydrophobicContact CD1-CE 3.94Å; Y73-M176 HydrophobicContact CE1-CE 3.88Å; V77-M176 HydrophobicContact CG2-CE 4.01Å; R78-M176 WeakPolarHBondContact CG-O 3.3Å; R78-M176 PolarHBondContact NH1-O 2.89Å; V139-M176 HydrophobicContact CG1-CE 3.8Å; W142-M176 HydrophobicContact CB-CG 4.36Å; W142-M176 HydrophobicContact CB-SD 3.47Å; W142-M176 WeakPolarHBondContact CB-SD 3.48Å; W142-M176 HydrophobicContact CE3-SD 4.32Å; H172-M176 WeakPolarHBondContact O-CG 3.38Å; H172-M176 PolarHBondContact O-N 2.7Å; Y173-M176 WeakPolarHBondContact O-CB 3.46Å; Y173-M176 PolarHBondContact O-N 2.99Å
177	V	98.8	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	19.6	-177.5	-55.3	0	0	0	0	113.7	V77 V81 M88 Y173 T174 Q175 A179 P222 Y223	V77-V177 HydrophobicContact CG2-CG1 4.47Å; V81-V177 HydrophobicContact CG1-CB 3.82Å; V81-V177 HydrophobicContact CG1-CG1 3.55Å; M88-V177 HydrophobicContact CE-CB 4.32Å; M88-V177 WeakPolarHBondContact CE-O 3.47Å; Y173-V177 HydrophobicContact CD1-CG2 4.32Å; Y173-V177 HydrophobicContact CD2-CG1 4.29Å; Y173-V177 HydrophobicContact CE1-CG2 3.84Å; Y173-V177 HydrophobicContact CE2-CG1 3.71Å; Y173-V177 HydrophobicContact CE2-CG2 4.08Å; Y173-V177 WeakPolarHBondContact O-CG2 3.36Å; Y173-V177 PolarHBondContact O-N 3.02Å; Y173-V177 VanDerWaalsContact O-N 3.08Å; T174-V177 CarbonylContact O-C 3.5Å; Q175-V177 PolarHBondContact O-N 3.42Å; V177-A179 PolarHBondContact O-N 3Å; V177-P222 HydrophobicContact CG2-CB 4.24Å; V177-Y223 HydrophobicContact CB-CE1 4.44Å; V177-Y223 HydrophobicContact CG2-CD1 4.34Å; V177-Y223 HydrophobicContact CG2-CE1 4.06Å; V177-Y223 WeakPolarHBondContact O-CD1 2.99Å
178	W	98.9	Very high	98.2	Very high	10 Å²	10	24.8 Å²	24.8	4%	0.038	13%	0.132	C	C	.	.			trans	-73	115.6	177.5	-160.2	-91.2	0	0	0	110.5	R78 T174 Q175 T180 S181 G215 N216 W217 E220 P222	R78-W178 PolarHBondContact NH1-O 3.02Å; R78-W178 PolarHBondContact NH2-O 3.06Å; R78-W178 VanDerWaalsContact NH2-O 3.16Å; T174-W178 WeakPolarHBondContact O-CB 3.47Å; T174-W178 PolarHBondContact O-N 3.26Å; Q175-W178 PolarHBondContact O-N 2.88Å; W178-T180 VanDerWaalsContact C-N 3.29Å; W178-T180 VanDerWaalsContact CD1-OG1 3.24Å; W178-T180 PolarHBondContact NE1-OG1 3.46Å; W178-T180 PolarHBondContact O-N 2.89Å; W178-T180 VanDerWaalsContact O-N 3.16Å; W178-S181 PolarHBondContact O-N 2.98Å; W178-G215 VanDerWaalsContact CD1-CA 3.45Å; W178-G215 VanDerWaalsContact CD2-CA 3.4Å; W178-N216 VanDerWaalsContact CD2-N 3.35Å; W178-W217 HydrophobicContact CH2-CB 4.27Å; W178-W217 VanDerWaalsContact CH2-N 3.35Å; W178-W217 HydrophobicContact CZ2-CB 4.05Å; W178-W217 AromaticContact CZ2-CD1 3.76Å; W178-W217 HydrophobicContact CZ2-CG 4.33Å; W178-E220 HydrophobicContact CH2-CB 3.83Å; W178-E220 HydrophobicContact CZ2-CB 4.06Å; W178-P222 CarbonylContact C-O 3.49Å; W178-P222 WeakPolarHBondContact CA-O 3.46Å; W178-P222 HydrophobicContact CD2-CB 4.49Å; W178-P222 VanDerWaalsContact CE3-CA 3.43Å; W178-P222 HydrophobicContact CE3-CB 3.72Å; W178-P222 HydrophobicContact CZ3-CB 4.02Å
179	A	98.6	Very high	98.2	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-46.7	-169.4	0	0	0	0	0	113	R78 M88 E89 V177 P222	R78-A179 PolarHBondContact NH2-O 3.36Å; M88-A179 HydrophobicContact SD-CB 4.49Å; E89-A179 VanDerWaalsContact CB-O 3.32Å; E89-A179 WeakPolarHBondContact CB-O 3.48Å; E89-A179 PolarHBondContact N-O 2.99Å; V177-A179 PolarHBondContact O-N 3Å; A179-P222 PolarHBondContact N-O 3.33Å
180	T	98.1	Very high	98.1	Very high	52 Å²	52	20.6 Å²	20.6	32%	0.319	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.3	-175.1	56.9	0	0	0	0	113.8	W178 N182 P213	W178-T180 VanDerWaalsContact C-N 3.29Å; W178-T180 VanDerWaalsContact CD1-OG1 3.24Å; W178-T180 PolarHBondContact NE1-OG1 3.46Å; W178-T180 PolarHBondContact O-N 2.89Å; W178-T180 VanDerWaalsContact O-N 3.16Å; T180-N182 VanDerWaalsContact C-N 3.27Å; T180-N182 PolarHBondContact O-N 3.39Å; T180-P213 VanDerWaalsContact O-CD 3.28Å; T180-P213 WeakPolarHBondContact O-CD 3.43Å
181	S	98.6	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.104	C	C	.	.			trans	-72.4	85.1	175.8	-64.3	0	0	0	0	109.4	M91 Q175 W178 P213	M91-S181 WeakPolarHBondContact CE-O 3.18Å; Q175-S181 PolarHBondContact NE2-OG 3.01Å; W178-S181 PolarHBondContact O-N 2.98Å; S181-P213 WeakPolarHBondContact CB-O 3.18Å; S181-P213 PolarHBondContact OG-O 2.84Å
182	N	97.9	Very high	97.8	Very high	28 Å²	28	25.1 Å²	25.1	15%	0.15	12%	0.123	C	C	.	.			trans	-98.2	2.5	-174.6	67.7	5.7	0	0	0	113.4	E89 M91 V92 T180 A212 Y236	E89-N182 HydrophobicContact CB-CB 3.9Å; E89-N182 WeakPolarHBondContact OE2-CB 3.04Å; E89-N182 PolarHBondContact OE2-ND2 2.77Å; M91-N182 CarbonylContact C-O 3.57Å; M91-N182 VanDerWaalsContact CA-O 3.31Å; M91-N182 WeakPolarHBondContact CA-O 3.34Å; V92-N182 WeakPolarHBondContact CG2-O 3.32Å; V92-N182 PolarHBondContact N-O 3.38Å; T180-N182 VanDerWaalsContact C-N 3.27Å; T180-N182 PolarHBondContact O-N 3.39Å; N182-A212 PolarHBondContact N-O 3.48Å; N182-A212 PolarHBondContact OD1-O 3.39Å; N182-Y236 PolarHBondContact ND2-OH 3.12Å
183	R	98.7	Very high	97.6	Very high	116 Å²	116	27.8 Å²	27.8	44%	0.438	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.2	175.3	-66.9	168.2	-173.1	-115.5	0.1	110.8	V92 D94 L97 Y211 A212	V92-R183 HydrophobicContact CG2-CG 3.97Å; V92-R183 WeakPolarHBondContact O-CA 3.43Å; D94-R183 HydrophobicContact CB-CB 4.02Å; D94-R183 HydrophobicContact CB-CG 4.38Å; D94-R183 IonicContact OD2-CZ 3.92Å; D94-R183 IonicContact OD2-NH1 2.92Å; D94-R183 PolarHBondContact OD2-NH1 3.1Å; L97-R183 HydrophobicContact CD1-CB 3.87Å; R183-Y211 WeakPolarHBondContact O-CA 3.28Å; R183-A212 HydrophobicContact CB-CB 4.32Å; R183-A212 WeakPolarHBondContact CB-O 3.37Å; R183-A212 PolarHBondContact N-O 2.03Å; R183-A212 PolarHBondContact O-N 3.34Å
184	I	98.8	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	144.1	173.2	-170.3	175.5	0	0	0	110.5	I70 L71 H74 M91 V92 W93 D94 C209 N210 Y211	I70-I184 HydrophobicContact CG2-CD1 3.94Å; L71-I184 HydrophobicContact CD1-CG2 3.71Å; H74-I184 VanDerWaalsContact CE1-CD1 3.47Å; H74-I184 WeakPolarHBondContact CE1-CD1 3.35Å; H74-I184 WeakPolarHBondContact NE2-CD1 3.36Å; M91-I184 HydrophobicContact CG-CB 4.12Å; M91-I184 HydrophobicContact CG-CG2 3.78Å; M91-I184 HydrophobicContact SD-CB 3.58Å; M91-I184 VanDerWaalsContact SD-CB 3.58Å; M91-I184 HydrophobicContact SD-CD1 4.17Å; M91-I184 HydrophobicContact SD-CG1 4.44Å; M91-I184 HydrophobicContact SD-CG2 3.52Å; M91-I184 VanDerWaalsContact SD-CG2 3.52Å; V92-I184 PolarHBondContact O-N 3.39Å; W93-I184 CarbonylContact C-O 3.55Å; W93-I184 WeakPolarHBondContact CA-O 3.47Å; W93-I184 HydrophobicContact CE3-CG2 4.11Å; D94-I184 PolarHBondContact N-O 3.08Å; I184-C209 HydrophobicContact CD1-CB 4.31Å; I184-C209 HydrophobicContact CG1-CB 4.48Å; I184-N210 VanDerWaalsContact CA-O 3.32Å; I184-N210 WeakPolarHBondContact CA-O 3.03Å; I184-Y211 HydrophobicContact CB-CD1 4.41Å; I184-Y211 HydrophobicContact CD1-CD1 4.24Å; I184-Y211 HydrophobicContact CD1-CE1 3.55Å; I184-Y211 HydrophobicContact CG1-CD1 4.17Å; I184-Y211 HydrophobicContact CG1-CE1 3.95Å
185	G	98.6	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	133.6	165.4	0	0	0	0	0	110.3	N210	G185-N210 PolarHBondContact N-O 2.83Å; G185-N210 PolarHBondContact O-N 3.09Å
186	C	98.7	Very high	97.3	Very high	1 Å²	1	32 Å²	32	1%	0.007	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	159.2	-173.8	-48.9	0	0	0	0	112.6	I62 I70 W93 L207 V208 C209	I62-C186 HydrophobicContact CD1-CB 4.31Å; I70-C186 HydrophobicContact CD1-CB 4.04Å; W93-C186 HydrophobicContact CH2-CB 3.77Å; W93-C186 HydrophobicContact CZ3-CB 4.19Å; C186-L207 HydrophobicContact CB-CD1 4Å; C186-V208 CarbonylContact C-O 3.56Å; C186-V208 WeakPolarHBondContact CA-O 3.37Å; C186-V208 VanDerWaalsContact CB-O 3.31Å; C186-V208 WeakPolarHBondContact CB-O 3.24Å; C186-C209 HydrophobicContact CB-CB 4.04Å; C186-C209 WeakPolarHBondContact CB-SG 3.48Å; C186-C209 VanDerWaalsContact SG-CA 3.52Å; C186-C209 WeakPolarHBondContact SG-CB 3.5Å; C186-C209 CovalentContact SG-SG 2.03Å; C186-C209 PolarHBondContact SG-SG 2.92Å
187	A	97.9	Very high	97.1	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	146.2	169.4	0	0	0	0	0	110.9	A101 E102 A105 L207 V208	A101-A187 HydrophobicContact CB-CB 4.06Å; E102-A187 HydrophobicContact CB-CB 3.72Å; A105-A187 HydrophobicContact CB-CB 4.47Å; A187-L207 WeakPolarHBondContact O-CA 3.32Å; A187-L207 WeakPolarHBondContact O-CD1 3.31Å; A187-V208 PolarHBondContact N-O 2.72Å; A187-V208 PolarHBondContact O-N 2.86Å
188	I	96.4	Very high	96.9	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.7	174	-171.8	163.3	0	0	0	109.9	Y61 Y132 I135 L138 V205 Y206 L207	Y61-I188 WeakPolarHBondContact O-CG2 3.5Å; Y132-I188 HydrophobicContact CD1-CD1 4.44Å; Y132-I188 HydrophobicContact CE1-CD1 3.62Å; Y132-I188 HydrophobicContact CE2-CD1 4.33Å; Y132-I188 WeakPolarHBondContact OH-CD1 3.42Å; I135-I188 HydrophobicContact CD1-CB 4.47Å; I135-I188 HydrophobicContact CD1-CD1 3.55Å; L138-I188 HydrophobicContact CD1-CD1 4.36Å; I188-V205 HydrophobicContact CD1-CG1 3.33Å; I188-V205 HydrophobicContact CG1-CG1 3.71Å; I188-Y206 CarbonylContact C-O 3.34Å; I188-Y206 WeakPolarHBondContact CA-O 3.27Å; I188-L207 HydrophobicContact CB-CD1 4.42Å
189	H	95.5	Very high	96.7	Very high	46 Å²	46	46.5 Å²	46.5	21%	0.213	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.2	178	-167.3	72.7	0	0	0	110.3	Y61 A105 C108 Y206	Y61-H189 AromaticContact CD1-ND1 3.8Å; Y61-H189 AromaticContact CE1-ND1 3.57Å; A105-H189 HydrophobicContact CB-CB 3.77Å; C108-H189 VanDerWaalsContact SG-CD2 3.54Å; H189-Y206 PolarHBondContact N-O 2.92Å; H189-Y206 PolarHBondContact O-N 3.29Å
190	T	94.8	Very high	96.6	Very high	77 Å²	77	51 Å²	51	47%	0.472	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	105	173.6	-58.6	0	0	0	0	109.1	R203 A204	T190-R203 HydrophobicContact CG2-CB 4.48Å; T190-A204 CarbonylContact C-O 3.58Å; T190-A204 WeakPolarHBondContact CA-O 3.27Å
191	C	95.6	Very high	96.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.5	179.3	-66.6	0	0	0	0	111.2	C108 M194 R203 A204	C108-C191 WeakPolarHBondContact CA-SG 3.08Å; C108-C191 HydrophobicContact CB-CB 3.67Å; C108-C191 WeakPolarHBondContact CB-SG 3.38Å; C108-C191 WeakPolarHBondContact SG-CA 3.38Å; C108-C191 WeakPolarHBondContact SG-CB 3.4Å; C108-C191 CovalentContact SG-SG 2.04Å; C108-C191 PolarHBondContact SG-SG 2.85Å; C191-M194 HydrophobicContact CB-CB 3.93Å; C191-M194 HydrophobicContact CB-SD 4.09Å; C191-R203 CarbonylContact O-C 3.52Å; C191-R203 WeakPolarHBondContact O-CA 3.31Å; C191-R203 PolarHBondContact O-N 2.84Å; C191-A204 HydrophobicContact CB-CB 4.38Å; C191-A204 PolarHBondContact N-O 2.84Å; C191-A204 PolarHBondContact O-N 3.23Å
192	H	94.7	Very high	96.3	Very high	145 Å²	145	60.9 Å²	60.9	67%	0.671	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	-49.6	178.6	-177	73.2	0	0	0	111.5	R202 R203	H192-R202 CarbonylContact O-C 3.58Å; H192-R202 WeakPolarHBondContact O-CA 3.41Å; H192-R203 PolarHBondContact O-N 2.89Å
193	N	94.5	Very high	96.2	Very high	80 Å²	80	67.7 Å²	67.7	43%	0.428	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.2	170.1	-66.7	-47.1	0	0	0	108.1	V200	N193-V200 HydrophobicContact CB-CG1 3.97Å
194	M	96.4	Very high	96	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	127.9	177.5	-175	166.4	176.3	0	0	108.5	C108 W110 V127 C191 V196 W201 A204 Y206	C108-M194 WeakPolarHBondContact O-CG 3.25Å; W110-M194 VanDerWaalsContact CA-CE 3.48Å; W110-M194 HydrophobicContact CB-CE 3.54Å; W110-M194 HydrophobicContact CD2-CE 4.24Å; W110-M194 HydrophobicContact CE3-CE 3.7Å; W110-M194 HydrophobicContact CG-CE 4.23Å; V127-M194 HydrophobicContact CG2-CE 4.47Å; V127-M194 HydrophobicContact CG2-SD 4.22Å; C191-M194 HydrophobicContact CB-CB 3.93Å; C191-M194 HydrophobicContact CB-SD 4.09Å; M194-V196 HydrophobicContact CB-CG2 4.32Å; M194-V196 HydrophobicContact CG-CG2 3.85Å; M194-V196 PolarHBondContact O-N 2.89Å; M194-V196 HydrophobicContact SD-CG2 4.45Å; M194-W201 PolarHBondContact N-O 2.82Å; M194-W201 PolarHBondContact O-N 3.46Å; M194-A204 HydrophobicContact CB-CB 3.91Å; M194-A204 HydrophobicContact SD-CB 4.12Å; M194-Y206 HydrophobicContact CE-CD1 3.65Å; M194-Y206 HydrophobicContact CE-CD2 3.87Å; M194-Y206 HydrophobicContact CE-CE1 3.77Å; M194-Y206 HydrophobicContact CE-CE2 4.01Å; M194-Y206 HydrophobicContact CE-CG 3.69Å; M194-Y206 HydrophobicContact SD-CD1 4.16Å; M194-Y206 HydrophobicContact SD-CG 4.11Å
195	N	96.9	Very high	95.9	Very high	97 Å²	97	62.5 Å²	62.5	52%	0.519	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.4	174.2	-178.8	43.6	0	0	0	108.9	W110 G198 S199	W110-N195 VanDerWaalsContact CB-O 3.25Å; W110-N195 WeakPolarHBondContact CB-O 3.44Å; N195-G198 VanDerWaalsContact OD1-CA 3.31Å; N195-G198 WeakPolarHBondContact OD1-CA 3.31Å; N195-S199 PolarHBondContact OD1-N 2.86Å
196	V	96.2	Very high	95.9	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	114.7	-179.1	-175.3	0	0	0	0	107	W110 V127 M194 G198 S199 W201	W110-V196 HydrophobicContact CB-CG2 4.28Å; W110-V196 HydrophobicContact CD2-CG1 4.28Å; W110-V196 HydrophobicContact CG-CB 4.42Å; W110-V196 HydrophobicContact CG-CG1 4.08Å; W110-V196 HydrophobicContact CG-CG2 4.26Å; V127-V196 HydrophobicContact CG1-CG1 3.73Å; V127-V196 HydrophobicContact CG1-CG2 4.32Å; V127-V196 HydrophobicContact CG2-CG2 4.09Å; M194-V196 HydrophobicContact CB-CG2 4.32Å; M194-V196 HydrophobicContact CG-CG2 3.85Å; M194-V196 PolarHBondContact O-N 2.89Å; M194-V196 HydrophobicContact SD-CG2 4.45Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.25Å; V196-S199 PolarHBondContact N-O 2.73Å; V196-S199 PolarHBondContact O-N 3.07Å; V196-W201 HydrophobicContact CB-CD2 3.83Å; V196-W201 HydrophobicContact CB-CE3 4.31Å; V196-W201 HydrophobicContact CB-CG 3.94Å; V196-W201 HydrophobicContact CG1-CD2 4.17Å; V196-W201 HydrophobicContact CG1-CE3 4.31Å; V196-W201 HydrophobicContact CG1-CH2 4.32Å; V196-W201 HydrophobicContact CG1-CZ2 4.14Å; V196-W201 HydrophobicContact CG1-CZ3 4.38Å; V196-W201 HydrophobicContact CG2-CB 4.15Å; V196-W201 HydrophobicContact CG2-CD2 3.94Å; V196-W201 HydrophobicContact CG2-CE3 4.11Å; V196-W201 HydrophobicContact CG2-CG 3.94Å
197	W	93.9	Very high	95.8	Very high	182 Å²	182	62.5 Å²	62.5	69%	0.689	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	43.4	-177.8	-51	-60.1	0	0	0	114.2	W110 V127 S199 W201	W110-W197 HydrophobicContact CZ2-CH2 4.41Å; W110-W197 AromaticContact CZ2-CZ2 3.74Å; W110-W197 HydrophobicContact CZ2-CZ2 3.74Å; W110-W197 AromaticContact NE1-CD1 3.89Å; W110-W197 AromaticContact NE1-CE2 3.48Å; W110-W197 AromaticContact NE1-CZ2 3.81Å; W110-W197 AromaticContact NE1-NE1 3.32Å; V127-W197 HydrophobicContact CG1-CH2 4.36Å; W197-S199 VanDerWaalsContact C-N 3.27Å; W197-S199 PolarHBondContact O-N 2.93Å; W197-W201 HydrophobicContact CE3-CH2 4.4Å; W197-W201 HydrophobicContact CE3-CZ2 4.02Å; W197-W201 HydrophobicContact CH2-CH2 4.48Å; W197-W201 AromaticContact CZ3-CH2 3.65Å; W197-W201 HydrophobicContact CZ3-CH2 3.65Å; W197-W201 AromaticContact CZ3-CZ2 3.7Å; W197-W201 HydrophobicContact CZ3-CZ2 3.7Å
198	G	94.9	Very high	95.9	Very high	65 Å²	65	62.4 Å²	62.4	67%	0.67	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	4.4	178.7	0	0	0	0	0	115	N195 V196	N195-G198 VanDerWaalsContact OD1-CA 3.31Å; N195-G198 WeakPolarHBondContact OD1-CA 3.31Å; V196-G198 VanDerWaalsContact C-N 3.29Å; V196-G198 PolarHBondContact O-N 3.25Å
199	S	95.9	Very high	96	Very high	68 Å²	68	61.8 Å²	61.8	48%	0.476	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.1	176.1	-66.3	0	0	0	0	111.6	N195 V196 W197 W201	N195-S199 PolarHBondContact OD1-N 2.86Å; V196-S199 PolarHBondContact N-O 2.73Å; V196-S199 PolarHBondContact O-N 3.07Å; W197-S199 VanDerWaalsContact C-N 3.27Å; W197-S199 PolarHBondContact O-N 2.93Å; S199-W201 PolarHBondContact O-N 3.23Å
200	V	96.3	Very high	96.2	Very high	97 Å²	97	59.6 Å²	59.6	59%	0.588	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	113.8	176.9	179.8	0	0	0	0	110.4	N193	N193-V200 HydrophobicContact CB-CG1 3.97Å
201	W	96.3	Very high	96.4	Very high	62 Å²	62	56 Å²	56	24%	0.235	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.5	174.5	-72.3	25.9	0	0	0	109.5	V127 T129 M194 V196 W197 S199 A204	V127-W201 HydrophobicContact CG1-CE3 4.47Å; V127-W201 HydrophobicContact CG1-CZ3 4Å; V127-W201 HydrophobicContact CG2-CE3 4.07Å; V127-W201 HydrophobicContact CG2-CZ3 4.24Å; T129-W201 HydrophobicContact CG2-CB 4.03Å; T129-W201 HydrophobicContact CG2-CD2 3.7Å; T129-W201 HydrophobicContact CG2-CE3 3.46Å; T129-W201 VanDerWaalsContact CG2-CE3 3.46Å; T129-W201 HydrophobicContact CG2-CG 3.99Å; T129-W201 HydrophobicContact CG2-CZ3 4.14Å; M194-W201 PolarHBondContact N-O 2.82Å; M194-W201 PolarHBondContact O-N 3.46Å; V196-W201 HydrophobicContact CB-CD2 3.83Å; V196-W201 HydrophobicContact CB-CE3 4.31Å; V196-W201 HydrophobicContact CB-CG 3.94Å; V196-W201 HydrophobicContact CG1-CD2 4.17Å; V196-W201 HydrophobicContact CG1-CE3 4.31Å; V196-W201 HydrophobicContact CG1-CH2 4.32Å; V196-W201 HydrophobicContact CG1-CZ2 4.14Å; V196-W201 HydrophobicContact CG1-CZ3 4.38Å; V196-W201 HydrophobicContact CG2-CB 4.15Å; V196-W201 HydrophobicContact CG2-CD2 3.94Å; V196-W201 HydrophobicContact CG2-CE3 4.11Å; V196-W201 HydrophobicContact CG2-CG 3.94Å; W197-W201 HydrophobicContact CE3-CH2 4.4Å; W197-W201 HydrophobicContact CE3-CZ2 4.02Å; W197-W201 HydrophobicContact CH2-CH2 4.48Å; W197-W201 AromaticContact CZ3-CH2 3.65Å; W197-W201 HydrophobicContact CZ3-CH2 3.65Å; W197-W201 AromaticContact CZ3-CZ2 3.7Å; W197-W201 HydrophobicContact CZ3-CZ2 3.7Å; S199-W201 PolarHBondContact O-N 3.23Å; W201-A204 HydrophobicContact CB-CB 4.05Å
202	R	94.4	Very high	96.5	Very high	197 Å²	197	56.8 Å²	56.8	74%	0.743	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.5	176	-65.8	-173.4	175.2	-176.4	-0.3	110.4	H192 A204	H192-R202 CarbonylContact O-C 3.58Å; H192-R202 WeakPolarHBondContact O-CA 3.41Å; R202-A204 VanDerWaalsContact C-N 3.27Å; R202-A204 PolarHBondContact O-N 2.99Å
203	R	94.2	Very high	96.6	Very high	171 Å²	171	53 Å²	53	65%	0.645	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.9	45.5	-179.6	-58.4	-178.7	61.7	153.1	4.5	111.9	T190 C191 H192 V205	T190-R203 HydrophobicContact CG2-CB 4.48Å; C191-R203 CarbonylContact O-C 3.52Å; C191-R203 WeakPolarHBondContact O-CA 3.31Å; C191-R203 PolarHBondContact O-N 2.84Å; H192-R203 PolarHBondContact O-N 2.89Å; R203-V205 PolarHBondContact O-N 3.48Å
204	A	95.7	Very high	96.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	126.6	178.9	0	0	0	0	0	110	V127 R128 T190 C191 M194 W201 R202	V127-A204 HydrophobicContact CG2-CB 3.97Å; R128-A204 WeakPolarHBondContact O-CA 3.47Å; T190-A204 CarbonylContact C-O 3.58Å; T190-A204 WeakPolarHBondContact CA-O 3.27Å; C191-A204 HydrophobicContact CB-CB 4.38Å; C191-A204 PolarHBondContact N-O 2.84Å; C191-A204 PolarHBondContact O-N 3.23Å; M194-A204 HydrophobicContact CB-CB 3.91Å; M194-A204 HydrophobicContact SD-CB 4.12Å; W201-A204 HydrophobicContact CB-CB 4.05Å; R202-A204 VanDerWaalsContact C-N 3.27Å; R202-A204 PolarHBondContact O-N 2.99Å
205	V	96.3	Very high	96.9	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.042	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.2	171.5	179.5	0	0	0	0	107.2	V127 R128 Y132 L138 I188 R203	V127-V205 VanDerWaalsContact CA-O 3.31Å; V127-V205 WeakPolarHBondContact CA-O 3.38Å; R128-V205 HydrophobicContact CG-CB 4Å; R128-V205 PolarHBondContact N-O 2.96Å; R128-V205 PolarHBondContact O-N 3.22Å; Y132-V205 HydrophobicContact CD1-CG1 3.83Å; Y132-V205 HydrophobicContact CD1-CG2 4.21Å; Y132-V205 HydrophobicContact CE1-CG1 3.79Å; Y132-V205 HydrophobicContact CE1-CG2 4.48Å; L138-V205 HydrophobicContact CD1-CG1 4.49Å; L138-V205 HydrophobicContact CD2-CG1 4.14Å; I188-V205 HydrophobicContact CD1-CG1 3.33Å; I188-V205 HydrophobicContact CG1-CG1 3.71Å; R203-V205 PolarHBondContact O-N 3.48Å
206	Y	97.4	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.2	-173.4	-178.1	-152.6	0	0	0	110	W104 A105 I109 W110 D111 L125 I188 H189 M194 V208	W104-Y206 PolarHBondContact NE1-OH 3.12Å; A105-Y206 HydrophobicContact CB-CD1 4.36Å; I109-Y206 WeakPolarHBondContact O-CE1 3.41Å; I109-Y206 PolarHBondContact O-OH 3.23Å; W110-Y206 HydrophobicContact CE3-CD2 4.07Å; W110-Y206 AromaticContact CE3-CE2 3.65Å; W110-Y206 HydrophobicContact CE3-CE2 3.65Å; W110-Y206 AromaticContact CZ3-CD2 3.97Å; W110-Y206 HydrophobicContact CZ3-CD2 3.97Å; W110-Y206 AromaticContact CZ3-CE2 3.62Å; W110-Y206 HydrophobicContact CZ3-CE2 3.62Å; D111-Y206 PolarHBondContact O-OH 2.65Å; L125-Y206 HydrophobicContact CB-CE2 4.18Å; L125-Y206 HydrophobicContact CD1-CE2 4.49Å; L125-Y206 HydrophobicContact CD2-CE2 3.96Å; L125-Y206 WeakPolarHBondContact CD2-OH 3.44Å; L125-Y206 HydrophobicContact CG-CE2 4.44Å; I188-Y206 CarbonylContact C-O 3.34Å; I188-Y206 WeakPolarHBondContact CA-O 3.27Å; H189-Y206 PolarHBondContact N-O 2.92Å; H189-Y206 PolarHBondContact O-N 3.29Å; M194-Y206 HydrophobicContact CE-CD1 3.65Å; M194-Y206 HydrophobicContact CE-CD2 3.87Å; M194-Y206 HydrophobicContact CE-CE1 3.77Å; M194-Y206 HydrophobicContact CE-CE2 4.01Å; M194-Y206 HydrophobicContact CE-CG 3.69Å; M194-Y206 HydrophobicContact SD-CD1 4.16Å; M194-Y206 HydrophobicContact SD-CG 4.11Å; Y206-V208 HydrophobicContact CD1-CG2 4.24Å; Y206-V208 HydrophobicContact CD2-CG2 4.31Å; Y206-V208 HydrophobicContact CE1-CG2 3.76Å; Y206-V208 HydrophobicContact CE2-CG2 3.8Å
207	L	98.4	Very high	97	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.6	173.9	173.2	66.1	0	0	0	109.3	I70 L125 S126 I135 L138 V139 W142 C186 A187 I188	I70-L207 HydrophobicContact CD1-CD1 4.28Å; L125-L207 WeakPolarHBondContact CA-O 3.36Å; S126-L207 PolarHBondContact N-O 3.44Å; S126-L207 PolarHBondContact O-N 3.21Å; I135-L207 HydrophobicContact CD1-CD1 4.28Å; I135-L207 HydrophobicContact CD1-CD2 4.3Å; L138-L207 HydrophobicContact CB-CB 4.29Å; L138-L207 HydrophobicContact CB-CD2 3.67Å; L138-L207 HydrophobicContact CD2-CB 3.83Å; V139-L207 HydrophobicContact CG2-CD2 3.68Å; W142-L207 HydrophobicContact CH2-CD2 3.73Å; W142-L207 HydrophobicContact CH2-CG 4.1Å; W142-L207 HydrophobicContact CZ2-CD2 4.31Å; W142-L207 HydrophobicContact CZ3-CD2 4.4Å; C186-L207 HydrophobicContact CB-CD1 4Å; A187-L207 WeakPolarHBondContact O-CA 3.32Å; A187-L207 WeakPolarHBondContact O-CD1 3.31Å; I188-L207 HydrophobicContact CB-CD1 4.42Å
208	V	98.8	Very high	97.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.4	172	-178.5	0	0	0	0	107.5	A101 W104 A105 Q123 L125 C186 A187 Y206	A101-V208 HydrophobicContact CB-CB 4.15Å; A101-V208 HydrophobicContact CB-CG1 3.92Å; W104-V208 HydrophobicContact CB-CG1 4.48Å; A105-V208 HydrophobicContact CB-CB 4.31Å; A105-V208 HydrophobicContact CB-CG2 3.68Å; Q123-V208 HydrophobicContact CG-CG1 4.11Å; L125-V208 HydrophobicContact CD2-CB 4.16Å; L125-V208 HydrophobicContact CD2-CG1 3.88Å; L125-V208 HydrophobicContact CD2-CG2 3.85Å; C186-V208 CarbonylContact C-O 3.56Å; C186-V208 WeakPolarHBondContact CA-O 3.37Å; C186-V208 VanDerWaalsContact CB-O 3.31Å; C186-V208 WeakPolarHBondContact CB-O 3.24Å; A187-V208 PolarHBondContact N-O 2.72Å; A187-V208 PolarHBondContact O-N 2.86Å; Y206-V208 HydrophobicContact CD1-CG2 4.24Å; Y206-V208 HydrophobicContact CD2-CG2 4.31Å; Y206-V208 HydrophobicContact CE1-CG2 3.76Å; Y206-V208 HydrophobicContact CE2-CG2 3.8Å
209	C	98.9	Very high	97.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.4	172.3	-77.1	0	0	0	0	109.8	Q123 N124 W142 I184 C186 Y211	Q123-C209 CarbonylContact C-O 3.53Å; Q123-C209 VanDerWaalsContact CA-O 3.24Å; Q123-C209 WeakPolarHBondContact CA-O 3.49Å; N124-C209 PolarHBondContact N-O 3.36Å; N124-C209 PolarHBondContact O-N 3.07Å; W142-C209 HydrophobicContact CH2-CB 3.88Å; W142-C209 HydrophobicContact CZ3-CB 4.14Å; I184-C209 HydrophobicContact CD1-CB 4.31Å; I184-C209 HydrophobicContact CG1-CB 4.48Å; C186-C209 HydrophobicContact CB-CB 4.04Å; C186-C209 WeakPolarHBondContact CB-SG 3.48Å; C186-C209 VanDerWaalsContact SG-CA 3.52Å; C186-C209 WeakPolarHBondContact SG-CB 3.5Å; C186-C209 CovalentContact SG-SG 2.03Å; C186-C209 PolarHBondContact SG-SG 2.92Å; C209-Y211 HydrophobicContact CB-CE2 3.97Å; C209-Y211 WeakPolarHBondContact O-CE2 3.19Å
210	N	98.9	Very high	97.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.6	175.5	-70.2	-27.4	0	0	0	110.4	L97 S100 A101 G122 Q123 I184 G185	L97-N210 HydrophobicContact CB-CB 4.14Å; L97-N210 HydrophobicContact CD2-CB 4.35Å; L97-N210 PolarHBondContact O-ND2 3.09Å; S100-N210 PolarHBondContact OG-ND2 3.05Å; A101-N210 PolarHBondContact N-ND2 2.03Å; G122-N210 CarbonylContact O-C 3.29Å; G122-N210 WeakPolarHBondContact O-CA 3.33Å; Q123-N210 WeakPolarHBondContact CG-OD1 3.43Å; Q123-N210 PolarHBondContact NE2-OD1 3.18Å; I184-N210 VanDerWaalsContact CA-O 3.32Å; I184-N210 WeakPolarHBondContact CA-O 3.03Å; G185-N210 PolarHBondContact N-O 2.83Å; G185-N210 PolarHBondContact O-N 3.09Å
211	Y	98.9	Very high	97.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.2	-177.4	-57.7	-97.8	0	0	0	110.4	H74 M91 L121 G122 N124 Q175 R183 I184 C209	H74-Y211 AromaticContact CD2-CE1 3.83Å; H74-Y211 AromaticContact NE2-CE1 3.55Å; H74-Y211 AromaticContact NE2-CZ 3.67Å; H74-Y211 PolarHBondContact NE2-OH 3Å; M91-Y211 HydrophobicContact CE-CD1 3.98Å; M91-Y211 HydrophobicContact CE-CE1 4.19Å; L121-Y211 WeakPolarHBondContact CA-O 3.41Å; G122-Y211 PolarHBondContact N-O 3Å; G122-Y211 PolarHBondContact O-N 2.87Å; N124-Y211 HydrophobicContact CB-CE2 3.79Å; N124-Y211 PolarHBondContact ND2-OH 3.25Å; Q175-Y211 HydrophobicContact CG-CD1 4.11Å; Q175-Y211 HydrophobicContact CG-CD2 3.44Å; Q175-Y211 VanDerWaalsContact CG-CD2 3.44Å; Q175-Y211 HydrophobicContact CG-CE1 4.27Å; Q175-Y211 HydrophobicContact CG-CE2 3.65Å; Q175-Y211 HydrophobicContact CG-CG 3.7Å; R183-Y211 WeakPolarHBondContact O-CA 3.28Å; I184-Y211 HydrophobicContact CB-CD1 4.41Å; I184-Y211 HydrophobicContact CD1-CD1 4.24Å; I184-Y211 HydrophobicContact CD1-CE1 3.55Å; I184-Y211 HydrophobicContact CG1-CD1 4.17Å; I184-Y211 HydrophobicContact CG1-CE1 3.95Å; C209-Y211 HydrophobicContact CB-CE2 3.97Å; C209-Y211 WeakPolarHBondContact O-CE2 3.19Å
212	A	98.4	Very high	97.5	Very high	17 Å²	17	47.5 Å²	47.5	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	146.9	172.6	0	0	0	0	0	111.4	L97 L121 N182 R183	L97-A212 HydrophobicContact CD1-CB 3.78Å; L97-A212 HydrophobicContact CD2-CB 4.14Å; L121-A212 HydrophobicContact CD2-CB 3.84Å; N182-A212 PolarHBondContact N-O 3.48Å; N182-A212 PolarHBondContact OD1-O 3.39Å; R183-A212 HydrophobicContact CB-CB 4.32Å; R183-A212 WeakPolarHBondContact CB-O 3.37Å; R183-A212 PolarHBondContact N-O 2.03Å; R183-A212 PolarHBondContact O-N 3.34Å
213	P	97.8	Very high	97.7	Very high	67 Å²	67	38.5 Å²	38.5	44%	0.435	19%	0.19	S	C	.	.	S	Bend	cis	-47.6	157.3	-25.3	-26.9	32.1	0	0	0	113.8	T180 S181 G215	T180-P213 VanDerWaalsContact O-CD 3.28Å; T180-P213 WeakPolarHBondContact O-CD 3.43Å; S181-P213 WeakPolarHBondContact CB-O 3.18Å; S181-P213 PolarHBondContact OG-O 2.84Å; P213-G215 PolarHBondContact O-N 2.84Å
214	K	98	Very high	97.9	Very high	51 Å²	51	36.6 Å²	36.6	22%	0.222	19%	0.187	C	C	.	.			trans	-56.1	135.8	176.7	176.9	175.8	-172.2	81.5	0	111.3	L118 F120 L121 W217	L118-K214 WeakPolarHBondContact O-CE 3.43Å; L118-K214 PolarHBondContact O-NZ 3.29Å; F120-K214 WeakPolarHBondContact O-CB 3.44Å; F120-K214 PolarHBondContact O-N 2.78Å; L121-K214 PolarHBondContact O-NZ 2.65Å; K214-W217 HydrophobicContact CB-CZ2 4.21Å; K214-W217 HydrophobicContact CD-CH2 4.4Å; K214-W217 HydrophobicContact CD-CZ2 4.2Å; K214-W217 HydrophobicContact CG-CZ2 4.38Å; K214-W217 PolarHBondContact O-NE1 3.26Å
215	G	98.2	Very high	98	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.			trans	-101.1	-168.8	168	0	0	0	0	0	113	W178 P213 W217	W178-G215 VanDerWaalsContact CD1-CA 3.45Å; W178-G215 VanDerWaalsContact CD2-CA 3.4Å; P213-G215 PolarHBondContact O-N 2.84Å; G215-W217 VanDerWaalsContact C-N 3.31Å; G215-W217 PolarHBondContact O-N 2.93Å
216	N	98.1	Very high	98	Very high	49 Å²	49	40 Å²	40	26%	0.262	21%	0.213	S	C	.	.			trans	56.5	42.1	179.5	-62.5	-18.8	0	0	0	113.2	T171 T174 Q175 W178 I218	T171-N216 PolarHBondContact O-ND2 3.03Å; T174-N216 WeakPolarHBondContact CB-OD1 3.45Å; T174-N216 PolarHBondContact OG1-OD1 2.78Å; Q175-N216 PolarHBondContact N-OD1 3.42Å; W178-N216 VanDerWaalsContact CD2-N 3.35Å; N216-I218 PolarHBondContact O-N 3.43Å
217	W	97.4	Very high	98.1	Very high	123 Å²	123	45.1 Å²	45.1	47%	0.466	24%	0.244	S	C	.	.			trans	-64.9	131.8	171.7	-70.3	102.4	0	0	0	110.3	W178 K214 G215 G219 E220	W178-W217 HydrophobicContact CH2-CB 4.27Å; W178-W217 VanDerWaalsContact CH2-N 3.35Å; W178-W217 HydrophobicContact CZ2-CB 4.05Å; W178-W217 AromaticContact CZ2-CD1 3.76Å; W178-W217 HydrophobicContact CZ2-CG 4.33Å; K214-W217 HydrophobicContact CB-CZ2 4.21Å; K214-W217 HydrophobicContact CD-CH2 4.4Å; K214-W217 HydrophobicContact CD-CZ2 4.2Å; K214-W217 HydrophobicContact CG-CZ2 4.38Å; K214-W217 PolarHBondContact O-NE1 3.26Å; G215-W217 VanDerWaalsContact C-N 3.31Å; G215-W217 PolarHBondContact O-N 2.93Å; W217-G219 PolarHBondContact O-N 3.15Å; W217-E220 HydrophobicContact CB-CB 4.01Å; W217-E220 HydrophobicContact CB-CG 3.88Å; W217-E220 PolarHBondContact O-N 3.39Å; W217-E220 VanDerWaalsContact O-N 3.09Å
218	I	96.6	Very high	98.1	Very high	153 Å²	153	47 Å²	47	79%	0.785	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	121.7	-177.6	-63	173.9	0	0	0	108.9	N216	N216-I218 PolarHBondContact O-N 3.43Å
219	G	97	Very high	98	Very high	20 Å²	20	48.1 Å²	48.1	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	11.1	-179.9	0	0	0	0	0	114.6	C161 W217	C161-G219 PolarHBondContact N-O 3.25Å; C161-G219 WeakPolarHBondContact O-CA 3.31Å; W217-G219 PolarHBondContact O-N 3.15Å
220	E	97.7	Very high	97.9	Very high	113 Å²	113	52 Å²	52	53%	0.528	29%	0.291	S	S	.	.			trans	-114.4	146.3	175.1	-64	-173	-170.3	0	0	111.7	W178 W217	W178-E220 HydrophobicContact CH2-CB 3.83Å; W178-E220 HydrophobicContact CZ2-CB 4.06Å; W217-E220 HydrophobicContact CB-CB 4.01Å; W217-E220 HydrophobicContact CB-CG 3.88Å; W217-E220 PolarHBondContact O-N 3.39Å; W217-E220 VanDerWaalsContact O-N 3.09Å
221	A	97.9	Very high	97.8	Very high	25 Å²	25	54 Å²	54	21%	0.207	31%	0.307	C	S	.	.			trans	-77.2	150.9	169.5	0	0	0	0	0	110.2	F151 P152 Y223	F151-A221 HydrophobicContact CE2-CB 4.5Å; F151-A221 HydrophobicContact CZ-CB 4.07Å; P152-A221 HydrophobicContact CG-CB 3.9Å; A221-Y223 PolarHBondContact O-N 3.03Å
222	P	98.4	Very high	97.7	Very high	3 Å²	3	55 Å²	55	2%	0.019	31%	0.314	C	S	.	.	S	Bend	trans	-65.6	-25.3	-177.7	25.6	-33.4	0	0	0	113.7	Y149 F151 T174 V177 W178 A179	Y149-P222 WeakPolarHBondContact OH-CD 3.4Å; Y149-P222 WeakPolarHBondContact OH-CG 3.04Å; F151-P222 HydrophobicContact CD2-CG 4.18Å; F151-P222 HydrophobicContact CE2-CG 3.89Å; T174-P222 HydrophobicContact CG2-CG 4.49Å; V177-P222 HydrophobicContact CG2-CB 4.24Å; W178-P222 CarbonylContact C-O 3.49Å; W178-P222 WeakPolarHBondContact CA-O 3.46Å; W178-P222 HydrophobicContact CD2-CB 4.49Å; W178-P222 VanDerWaalsContact CE3-CA 3.43Å; W178-P222 HydrophobicContact CE3-CB 3.72Å; W178-P222 HydrophobicContact CZ3-CB 4.02Å; A179-P222 PolarHBondContact N-O 3.33Å
223	Y	98.7	Very high	97.4	Very high	8 Å²	8	55.6 Å²	55.6	3%	0.031	32%	0.316	C	S	.	.	S	Bend	trans	-156	171.6	177.8	51.4	-98.1	0	0	0	110.3	V81 F82 P83 A85 M88 F151 V177 A221	V81-Y223 HydrophobicContact CB-CE1 4Å; V81-Y223 HydrophobicContact CG1-CE1 4.13Å; V81-Y223 HydrophobicContact CG2-CE1 4.03Å; V81-Y223 HydrophobicContact CG2-CE2 4.14Å; F82-Y223 PolarHBondContact O-OH 2.84Å; P83-Y223 HydrophobicContact CG-CE2 4.31Å; P83-Y223 WeakPolarHBondContact O-CE2 3.33Å; P83-Y223 PolarHBondContact O-OH 2.82Å; A85-Y223 HydrophobicContact CB-CD1 4.46Å; A85-Y223 HydrophobicContact CB-CD2 3.43Å; A85-Y223 VanDerWaalsContact CB-CD2 3.43Å; A85-Y223 HydrophobicContact CB-CE2 4.01Å; A85-Y223 HydrophobicContact CB-CG 3.69Å; M88-Y223 HydrophobicContact CE-CD1 3.64Å; M88-Y223 HydrophobicContact CE-CE1 4.32Å; M88-Y223 HydrophobicContact CE-CG 3.94Å; F151-Y223 HydrophobicContact CD2-CE1 4.02Å; F151-Y223 AromaticContact CD2-CE2 3.75Å; F151-Y223 HydrophobicContact CD2-CE2 3.75Å; F151-Y223 AromaticContact CD2-CZ 3.46Å; F151-Y223 VanDerWaalsContact CD2-CZ 3.46Å; F151-Y223 WeakPolarHBondContact CD2-OH 3.35Å; F151-Y223 HydrophobicContact CE2-CD1 4.07Å; F151-Y223 AromaticContact CE2-CD2 3.54Å; F151-Y223 HydrophobicContact CE2-CD2 3.54Å; F151-Y223 AromaticContact CE2-CE1 3.75Å; F151-Y223 HydrophobicContact CE2-CE1 3.75Å; F151-Y223 AromaticContact CE2-CE2 3.18Å; F151-Y223 HydrophobicContact CE2-CE2 3.18Å; F151-Y223 AromaticContact CE2-CG 3.98Å; F151-Y223 HydrophobicContact CE2-CG 3.98Å; F151-Y223 AromaticContact CE2-CZ 3.29Å; F151-Y223 AromaticContact CZ-CD2 3.91Å; F151-Y223 HydrophobicContact CZ-CD2 3.91Å; F151-Y223 AromaticContact CZ-CE2 3.76Å; F151-Y223 HydrophobicContact CZ-CE2 3.76Å; F151-Y223 WeakPolarHBondContact CZ-O 3.43Å; V177-Y223 HydrophobicContact CB-CE1 4.44Å; V177-Y223 HydrophobicContact CG2-CD1 4.34Å; V177-Y223 HydrophobicContact CG2-CE1 4.06Å; V177-Y223 WeakPolarHBondContact O-CD1 2.99Å; A221-Y223 PolarHBondContact O-N 3.03Å
224	K	98.1	Very high	97.1	Very high	132 Å²	132	58.7 Å²	58.7	57%	0.574	34%	0.336	S	S	*	.			trans	-90.3	130.8	173.2	-66	-179.5	-179.5	179.7	0	109.6	A85 S86 N87	A85-K224 CarbonylContact C-O 3.44Å; A85-K224 VanDerWaalsContact CA-O 3.31Å; A85-K224 WeakPolarHBondContact CA-O 3.25Å; S86-K224 PolarHBondContact N-O 3.23Å; S86-K224 WeakPolarHBondContact OG-CB 3.27Å; S86-K224 PolarHBondContact OG-O 2.92Å; N87-K224 PolarHBondContact OD1-N 3.34Å
225	V	98	Very high	96.6	Very high	53 Å²	53	60.8 Å²	60.8	32%	0.321	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-71.1	134.7	173.7	-178.7	0	0	0	0	109.8	P83 P84 F151 Y153	P83-V225 HydrophobicContact CB-CG1 3.96Å; P83-V225 HydrophobicContact CB-CG2 4.17Å; P83-V225 HydrophobicContact CG-CG1 4.35Å; P83-V225 HydrophobicContact CG-CG2 3.63Å; P84-V225 WeakPolarHBondContact O-CA 3.23Å; F151-V225 HydrophobicContact CD1-CG2 3.91Å; F151-V225 HydrophobicContact CE1-CG2 3.11Å; F151-V225 HydrophobicContact CZ-CG2 3.49Å; F151-V225 VanDerWaalsContact CZ-CG2 3.49Å; Y153-V225 HydrophobicContact CD1-CG2 4.34Å
226	G	97.6	Very high	96.2	Very high	26 Å²	26	62 Å²	62	27%	0.268	36%	0.362	S	S	.	.	S	Bend	trans	165	-171.8	171.5	0	0	0	0	0	112.7	P84	P84-G226 CarbonylContact C-O 3.48Å; P84-G226 PolarHBondContact O-N 2.93Å
227	V	97.9	Very high	95.4	Very high	107 Å²	107	62.8 Å²	62.8	65%	0.648	38%	0.382	S	S	*	.	S	Bend	trans	-60.7	130.4	175.3	176.8	0	0	0	0	108.6	S86 C229 S230	S86-V227 VanDerWaalsContact CA-O 3.27Å; S86-V227 WeakPolarHBondContact CA-O 3.33Å; S86-V227 WeakPolarHBondContact CB-O 3.39Å; V227-C229 PolarHBondContact O-N 3.12Å; V227-S230 VanDerWaalsContact O-CB 3.23Å; V227-S230 WeakPolarHBondContact O-CB 3.46Å; V227-S230 PolarHBondContact O-N 3.09Å; V227-S230 PolarHBondContact O-OG 3.44Å
228	P	98.2	Very high	94.6	Very high	39 Å²	39	59.9 Å²	59.9	25%	0.253	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.1	134.9	177.2	-32.8	37.7	0	0	0	113.1	P84 A85 S230 N243	P84-P228 HydrophobicContact CB-CG 4.25Å; A85-P228 WeakPolarHBondContact O-CA 3.03Å; P228-S230 PolarHBondContact O-N 3.44Å; P228-S230 VanDerWaalsContact O-N 3.09Å; P228-N243 HydrophobicContact CB-CB 3.74Å; P228-N243 WeakPolarHBondContact CB-OD1 3.5Å; P228-N243 HydrophobicContact CG-CB 4.13Å
229	C	97.3	Very high	94.2	Very high	23 Å²	23	54.9 Å²	54.9	16%	0.155	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	4.5	-178.6	-54.7	0	0	0	0	117	S86 V227 A231 C232 C240 L244	S86-C229 CarbonylContact O-C 3.54Å; S86-C229 VanDerWaalsContact O-C 3.29Å; S86-C229 WeakPolarHBondContact O-CA 3.35Å; S86-C229 PolarHBondContact O-N 3.16Å; V227-C229 PolarHBondContact O-N 3.12Å; C229-A231 PolarHBondContact O-N 3.02Å; C229-C232 WeakPolarHBondContact CA-SG 3.39Å; C229-C232 VanDerWaalsContact CB-SG 3.5Å; C229-C232 PolarHBondContact O-SG 3.33Å; C229-C232 VanDerWaalsContact O-SG 3.33Å; C229-C240 HydrophobicContact CB-CB 3.52Å; C229-C240 WeakPolarHBondContact CB-SG 3.47Å; C229-C240 WeakPolarHBondContact SG-CB 3.41Å; C229-C240 CovalentContact SG-SG 2.03Å; C229-C240 PolarHBondContact SG-SG 3.5Å; C229-L244 PolarHBondContact SG-O 3Å
230	S	96.9	Very high	94.1	Very high	83 Å²	83	57.1 Å²	57.1	58%	0.58	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.1	-179.4	79.2	0	0	0	0	114.4	S86 V227 P228	S86-S230 WeakPolarHBondContact CB-OG 3.42Å; S86-S230 PolarHBondContact O-N 3.26Å; V227-S230 VanDerWaalsContact O-CB 3.23Å; V227-S230 WeakPolarHBondContact O-CB 3.46Å; V227-S230 PolarHBondContact O-N 3.09Å; V227-S230 PolarHBondContact O-OG 3.44Å; P228-S230 PolarHBondContact O-N 3.44Å; P228-S230 VanDerWaalsContact O-N 3.09Å
231	A	96.7	Very high	94	Very high	41 Å²	41	53.8 Å²	53.8	34%	0.339	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	33.6	179.4	0	0	0	0	0	111.8	S86 N87 C229	S86-A231 CarbonylContact O-C 3.52Å; S86-A231 WeakPolarHBondContact O-CA 3.26Å; S86-A231 PolarHBondContact O-N 3.22Å; S86-A231 WeakPolarHBondContact OG-CB 2.96Å; N87-A231 HydrophobicContact CB-CB 4.16Å; N87-A231 VanDerWaalsContact CB-O 3.23Å; N87-A231 WeakPolarHBondContact CB-O 3.27Å; C229-A231 PolarHBondContact O-N 3.02Å
232	C	96.3	Very high	93.9	Very high	22 Å²	22	59.2 Å²	59.2	15%	0.149	40%	0.398	C	S	.	.			trans	-59.8	152.2	171.4	-66	0	0	0	0	111.8	C229 C245	C229-C232 WeakPolarHBondContact CA-SG 3.39Å; C229-C232 VanDerWaalsContact CB-SG 3.5Å; C229-C232 PolarHBondContact O-SG 3.33Å; C229-C232 VanDerWaalsContact O-SG 3.33Å; C232-C245 WeakPolarHBondContact CA-SG 3.32Å; C232-C245 HydrophobicContact CB-CB 3.66Å; C232-C245 WeakPolarHBondContact CB-SG 3.29Å; C232-C245 VanDerWaalsContact SG-CA 3.56Å; C232-C245 WeakPolarHBondContact SG-CB 3.25Å; C232-C245 CovalentContact SG-SG 2.03Å; C232-C245 PolarHBondContact SG-SG 2.96Å
233	P	92.9	Very high	93.9	Very high	30 Å²	30	62.9 Å²	62.9	20%	0.195	42%	0.418	C	S	.	.			trans	-53.2	135.6	173.7	-25.2	34.3	0	0	0	111.5	E89 S235 Y236	E89-P233 HydrophobicContact CG-CG 4.3Å; P233-S235 PolarHBondContact O-N 3.42Å; P233-S235 VanDerWaalsContact O-N 3.12Å; P233-Y236 HydrophobicContact CB-CD1 4.05Å; P233-Y236 HydrophobicContact CB-CE1 4.45Å; P233-Y236 HydrophobicContact CB-CG 4.24Å; P233-Y236 HydrophobicContact CG-CD1 4.35Å; P233-Y236 HydrophobicContact CG-CD2 4.41Å; P233-Y236 HydrophobicContact CG-CE1 4.44Å; P233-Y236 HydrophobicContact CG-CE2 4.47Å; P233-Y236 HydrophobicContact CG-CG 4.35Å; P233-Y236 VanDerWaalsContact O-CB 3.31Å; P233-Y236 WeakPolarHBondContact O-CB 3.41Å; P233-Y236 PolarHBondContact O-N 3.33Å
234	P	90.4	Very high	93.9	Very high	131 Å²	131	62.7 Å²	62.7	85%	0.851	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-56.7	-31.1	178.8	-28.1	35.5	0	0	0	113.6	Y236 G237	P234-Y236 PolarHBondContact O-N 3.13Å; P234-Y236 VanDerWaalsContact O-N 3.12Å; P234-G237 PolarHBondContact O-N 2.84Å
235	S	88.9	Confident	93.8	Very high	96 Å²	96	56.4 Å²	56.4	67%	0.671	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-61.9	-15.7	175.6	53.3	0	0	0	0	114.2	P233 G237	P233-S235 PolarHBondContact O-N 3.42Å; P233-S235 VanDerWaalsContact O-N 3.12Å; S235-G237 VanDerWaalsContact C-N 3.32Å
236	Y	89.5	Confident	93.7	Very high	24 Å²	24	56.5 Å²	56.5	9%	0.094	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-86.7	-5.5	-178.6	-79	26.4	0	0	0	112.6	E89 N182 P233 P234 G238 S239 C245 F246 P247 G248	E89-Y236 HydrophobicContact CB-CE2 4.35Å; E89-Y236 HydrophobicContact CG-CE2 4.12Å; E89-Y236 PolarHBondContact OE2-OH 3.25Å; N182-Y236 PolarHBondContact ND2-OH 3.12Å; P233-Y236 HydrophobicContact CB-CD1 4.05Å; P233-Y236 HydrophobicContact CB-CE1 4.45Å; P233-Y236 HydrophobicContact CB-CG 4.24Å; P233-Y236 HydrophobicContact CG-CD1 4.35Å; P233-Y236 HydrophobicContact CG-CD2 4.41Å; P233-Y236 HydrophobicContact CG-CE1 4.44Å; P233-Y236 HydrophobicContact CG-CE2 4.47Å; P233-Y236 HydrophobicContact CG-CG 4.35Å; P233-Y236 VanDerWaalsContact O-CB 3.31Å; P233-Y236 WeakPolarHBondContact O-CB 3.41Å; P233-Y236 PolarHBondContact O-N 3.33Å; P234-Y236 PolarHBondContact O-N 3.13Å; P234-Y236 VanDerWaalsContact O-N 3.12Å; Y236-G238 PolarHBondContact O-N 3Å; Y236-G238 VanDerWaalsContact O-N 3.13Å; Y236-S239 PolarHBondContact O-N 3.19Å; Y236-S239 PolarHBondContact O-OG 3.49Å; Y236-C245 HydrophobicContact CD2-CB 3.73Å; Y236-C245 HydrophobicContact CE2-CB 4.11Å; Y236-C245 WeakPolarHBondContact CE2-O 3.42Å; Y236-F246 WeakPolarHBondContact CB-O 3.26Å; Y236-F246 WeakPolarHBondContact CD2-O 3.4Å; Y236-P247 HydrophobicContact CD1-CB 4.01Å; Y236-P247 VanDerWaalsContact CD2-N 3.33Å; Y236-P247 HydrophobicContact CE1-CB 3.78Å; Y236-P247 HydrophobicContact CE2-CB 4.39Å; Y236-P247 HydrophobicContact CG-CB 4.39Å; Y236-G248 WeakPolarHBondContact O-CA 3.49Å; Y236-G248 PolarHBondContact O-N 3.2Å
237	G	82.1	Confident	93.1	Very high	67 Å²	67	58.5 Å²	58.5	69%	0.691	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	20	175.1	0	0	0	0	0	114.2	P234 S235	P234-G237 PolarHBondContact O-N 2.84Å; S235-G237 VanDerWaalsContact C-N 3.32Å
238	G	79.1	Confident	91.8	Very high	62 Å²	62	54.3 Å²	54.3	64%	0.639	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	10.9	178.5	0	0	0	0	0	115.6	Y236 C240	Y236-G238 PolarHBondContact O-N 3Å; Y236-G238 VanDerWaalsContact O-N 3.13Å; G238-C240 PolarHBondContact O-N 2.89Å
239	S	89.1	Confident	90.1	Very high	47 Å²	47	58.3 Å²	58.3	33%	0.329	40%	0.396	S	S	.	.			trans	-68	127	178.8	-55.4	0	0	0	0	111.3	Y236 F246	Y236-S239 PolarHBondContact O-N 3.19Å; Y236-S239 PolarHBondContact O-OG 3.49Å; S239-F246 WeakPolarHBondContact CB-O 3.23Å; S239-F246 PolarHBondContact O-N 3.49Å
240	C	93.9	Very high	88	Confident	67 Å²	67	63.7 Å²	63.7	45%	0.453	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	129.7	-178.8	-174.6	0	0	0	0	110.4	C229 G238 L244	C229-C240 HydrophobicContact CB-CB 3.52Å; C229-C240 WeakPolarHBondContact CB-SG 3.47Å; C229-C240 WeakPolarHBondContact SG-CB 3.41Å; C229-C240 CovalentContact SG-SG 2.03Å; C229-C240 PolarHBondContact SG-SG 3.5Å; G238-C240 PolarHBondContact O-N 2.89Å; C240-L244 WeakPolarHBondContact CA-O 3.03Å
241	A	95.6	Very high	85.8	Confident	44 Å²	44	62.9 Å²	62.9	36%	0.364	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	143.9	167.8	0	0	0	0	0	109.3	N243 L244 F246	A241-N243 PolarHBondContact O-N 3.47Å; A241-L244 PolarHBondContact N-O 2.84Å; A241-L244 VanDerWaalsContact N-O 3.15Å; A241-L244 WeakPolarHBondContact O-CB 3.18Å; A241-L244 PolarHBondContact O-N 3.36Å; A241-F246 HydrophobicContact CB-CD2 4.08Å; A241-F246 HydrophobicContact CB-CE2 3.56Å; A241-F246 HydrophobicContact CB-CZ 4.15Å; A241-F246 WeakPolarHBondContact O-CE2 3.17Å
242	D	96.6	Very high	83.5	Confident	138 Å²	138	69.2 Å²	69.2	74%	0.738	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	36.9	179.6	-58.3	-42.3	0	0	0	114.4	G79 L244	G79-D242 WeakPolarHBondContact CA-O 3.31Å; D242-L244 VanDerWaalsContact C-N 3.25Å; D242-L244 PolarHBondContact O-N 3.4Å
243	N	98.1	Very high	81.1	Confident	81 Å²	81	76.7 Å²	76.7	43%	0.433	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	18.7	-175.8	-54.7	-39.4	0	0	0	115.4	G79 P228 A241	G79-N243 PolarHBondContact O-ND2 2.94Å; P228-N243 HydrophobicContact CB-CB 3.74Å; P228-N243 WeakPolarHBondContact CB-OD1 3.5Å; P228-N243 HydrophobicContact CG-CB 4.13Å; A241-N243 PolarHBondContact O-N 3.47Å
244	L	98.1	Very high	78.7	Confident	4 Å²	4	81 Å²	81	2%	0.021	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.6	-179.8	-57.9	172.9	0	0	0	111.3	N75 R78 M88 Y90 C229 C240 A241 D242 F246	N75-L244 HydrophobicContact CB-CD1 3.97Å; R78-L244 HydrophobicContact CB-CD2 3.75Å; M88-L244 HydrophobicContact CB-CD2 3.99Å; M88-L244 HydrophobicContact CG-CD2 3.33Å; M88-L244 CarbonylContact O-C 3.57Å; M88-L244 WeakPolarHBondContact O-CA 3.41Å; Y90-L244 HydrophobicContact CD2-CB 4.47Å; Y90-L244 HydrophobicContact CD2-CD1 3.71Å; Y90-L244 HydrophobicContact CE2-CD1 4.41Å; C229-L244 PolarHBondContact SG-O 3Å; C240-L244 WeakPolarHBondContact CA-O 3.03Å; A241-L244 PolarHBondContact N-O 2.84Å; A241-L244 VanDerWaalsContact N-O 3.15Å; A241-L244 WeakPolarHBondContact O-CB 3.18Å; A241-L244 PolarHBondContact O-N 3.36Å; D242-L244 VanDerWaalsContact C-N 3.25Å; D242-L244 PolarHBondContact O-N 3.4Å; L244-F246 HydrophobicContact CB-CE2 3.98Å; L244-F246 VanDerWaalsContact O-CD2 3.27Å; L244-F246 WeakPolarHBondContact O-CD2 3.48Å
245	C	97.3	Very high	76.5	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.7	173.5	-56.8	0	0	0	0	110.2	M88 Y90 C232 Y236	M88-C245 PolarHBondContact O-N 2.99Å; Y90-C245 WeakPolarHBondContact CB-O 3.26Å; Y90-C245 PolarHBondContact N-O 2.6Å; C232-C245 WeakPolarHBondContact CA-SG 3.32Å; C232-C245 HydrophobicContact CB-CB 3.66Å; C232-C245 WeakPolarHBondContact CB-SG 3.29Å; C232-C245 VanDerWaalsContact SG-CA 3.56Å; C232-C245 WeakPolarHBondContact SG-CB 3.25Å; C232-C245 CovalentContact SG-SG 2.03Å; C232-C245 PolarHBondContact SG-SG 2.96Å; Y236-C245 HydrophobicContact CD2-CB 3.73Å; Y236-C245 HydrophobicContact CE2-CB 4.11Å; Y236-C245 WeakPolarHBondContact CE2-O 3.42Å
246	F	94.4	Very high	74.9	Confident	54 Å²	54	88.9 Å²	88.9	24%	0.237	50%	0.498	C	S	.	.			trans	-105.5	137.6	176.8	-76.6	-101.2	0	0	0	111.2	Y90 Y236 S239 A241 L244 G248	Y90-F246 HydrophobicContact CD1-CD1 4.17Å; Y90-F246 AromaticContact CD1-CE1 3.74Å; Y90-F246 HydrophobicContact CD1-CE1 3.74Å; Y90-F246 HydrophobicContact CD1-CZ 4.36Å; Y90-F246 HydrophobicContact CD2-CD1 4.3Å; Y90-F246 AromaticContact CD2-CE1 3.36Å; Y90-F246 HydrophobicContact CD2-CE1 3.36Å; Y90-F246 AromaticContact CD2-CE2 3.89Å; Y90-F246 HydrophobicContact CD2-CE2 3.89Å; Y90-F246 AromaticContact CD2-CZ 3.11Å; Y90-F246 HydrophobicContact CD2-CZ 3.11Å; Y90-F246 HydrophobicContact CE1-CE1 4.06Å; Y90-F246 AromaticContact CE2-CE1 3.71Å; Y90-F246 HydrophobicContact CE2-CE1 3.71Å; Y90-F246 AromaticContact CE2-CZ 3.57Å; Y90-F246 HydrophobicContact CE2-CZ 3.57Å; Y90-F246 AromaticContact CG-CD1 3.9Å; Y90-F246 HydrophobicContact CG-CD1 3.9Å; Y90-F246 AromaticContact CG-CE1 3.37Å; Y90-F246 HydrophobicContact CG-CE1 3.37Å; Y90-F246 HydrophobicContact CG-CE2 4.22Å; Y90-F246 AromaticContact CG-CZ 3.57Å; Y90-F246 HydrophobicContact CG-CZ 3.57Å; Y236-F246 WeakPolarHBondContact CB-O 3.26Å; Y236-F246 WeakPolarHBondContact CD2-O 3.4Å; S239-F246 WeakPolarHBondContact CB-O 3.23Å; S239-F246 PolarHBondContact O-N 3.49Å; A241-F246 HydrophobicContact CB-CD2 4.08Å; A241-F246 HydrophobicContact CB-CE2 3.56Å; A241-F246 HydrophobicContact CB-CZ 4.15Å; A241-F246 WeakPolarHBondContact O-CE2 3.17Å; L244-F246 HydrophobicContact CB-CE2 3.98Å; L244-F246 VanDerWaalsContact O-CD2 3.27Å; L244-F246 WeakPolarHBondContact O-CD2 3.48Å; F246-G248 PolarHBondContact O-N 3.48Å
247	P	85.9	Confident	72.8	Confident	68 Å²	68	94.3 Å²	94.3	44%	0.442	52%	0.522	S	S	.	.			trans	-59	133.7	171.4	25.8	-32.2	0	0	0	109.3	Y236 V249	Y236-P247 HydrophobicContact CD1-CB 4.01Å; Y236-P247 VanDerWaalsContact CD2-N 3.33Å; Y236-P247 HydrophobicContact CE1-CB 3.78Å; Y236-P247 HydrophobicContact CE2-CB 4.39Å; Y236-P247 HydrophobicContact CG-CB 4.39Å; P247-V249 PolarHBondContact O-N 3.04Å
248	G	69.7	Low	70.5	Confident	19 Å²	19	103.6 Å²	103.6	20%	0.196	54%	0.544	C	S	.	.			trans	-57.9	137.5	175.8	0	0	0	0	0	109.4	Y236 F246 T250	Y236-G248 WeakPolarHBondContact O-CA 3.49Å; Y236-G248 PolarHBondContact O-N 3.2Å; F246-G248 PolarHBondContact O-N 3.48Å; G248-T250 VanDerWaalsContact C-N 3.32Å; G248-T250 PolarHBondContact O-N 3.43Å
249	V	63.3	Low	70	Confident	123 Å²	123	105.7 Å²	105.7	75%	0.745	54%	0.539	S	S	*	.			trans	-70.9	88.9	-177.9	-162.5	0	0	0	0	109	P247	P247-V249 PolarHBondContact O-N 3.04Å
250	T	53.8	Low	69	Low	137 Å²	137	108.8 Å²	108.8	84%	0.84	55%	0.55	S	S	*	*			trans	-100.9	51.3	174.8	58.8	0	0	0	0	111.1	G248	G248-T250 VanDerWaalsContact C-N 3.32Å; G248-T250 PolarHBondContact O-N 3.43Å
251	S	49.7	Very low	67.6	Low	66 Å²	66	111.1 Å²	111.1	46%	0.462	56%	0.556	S	S	.	*			trans	178.9	140.8	160	-175.9	0	0	0	0	110.9	Y253	S251-Y253 PolarHBondContact O-N 2.87Å; S251-Y253 PolarHBondContact OG-N 3.35Å
252	N	48	Very low	66	Low	174 Å²	174	115.1 Å²	115.1	93%	0.93	57%	0.567	S	S	*	*	S	Bend	trans	-66.2	9.7	167.3	-74.7	-35.6	0	0	0	113.9
253	Y	46.1	Very low	64.1	Low	178 Å²	178	113.6 Å²	113.6	70%	0.698	56%	0.556	S	S	*	*			trans	-103.3	86.8	172.8	-81.4	-86.8	0	0	0	110.8	S251 Y255	S251-Y253 PolarHBondContact O-N 2.87Å; S251-Y253 PolarHBondContact OG-N 3.35Å; Y253-Y255 PolarHBondContact O-N 2.9Å; Y253-Y255 VanDerWaalsContact O-N 3.16Å
254	L	42.5	Very low	61.8	Low	122 Å²	122	115.8 Å²	115.8	64%	0.639	56%	0.564	S	S	*	*			trans	-71.2	100.1	160.5	-73	165.5	0	0	0	108.3	W256	L254-W256 PolarHBondContact O-N 3.18Å
255	Y	45	Very low	59.2	Low	206 Å²	206	123.8 Å²	123.8	81%	0.808	60%	0.603	S	S	*	*			trans	-74.1	75.1	164.6	-77.6	-84.9	0	0	0	109.4	Y253	Y253-Y255 PolarHBondContact O-N 2.9Å; Y253-Y255 VanDerWaalsContact O-N 3.16Å
256	W	54.9	Low	56.3	Low	186 Å²	186	133.3 Å²	133.3	71%	0.705	65%	0.65	S	S	*	*			trans	-84.4	116	158.2	-63.3	110.8	0	0	0	107.9	L254	L254-W256 PolarHBondContact O-N 3.18Å
257	F	45.4	Very low	53.1	Low	137 Å²	137	139.9 Å²	139.9	60%	0.601	68%	0.684	S	S	*	*			trans	36.5	103.8	162.4	-51.8	-72.8	0	0	0	117.6	M67	M67-F257 HydrophobicContact CE-CE1 3.93Å
258	K	33.1	Very low	50.1	Low	263 Å²	263	146.5 Å²	146.5	100%	1.143	71%	0.706	S	S	*	*			trans	-107.5	0	150.9	-83.6	-170.5	177.5	179	0	110.4

Retrieved 258 of 258 residues in 78.2 ms (Link to these results)

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