A0A096N9D7_PAPAN Loading...

Peptidase inhibitor 15

AlphaFold DB (A0A5F7ZTQ5), UniProt , Accession A0A096N9D7, Species PAPAN (Papio anubis, Olive baboon), Gene PI15, 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	32.9	Very low	31.8	Very low	237 Å²	237	136.7 Å²	136.7	100%	1.167	83%	0.829	S	S	*	*				0	116.5	0	-81.3	-176.5	-89.1	0	0	106.2
2	I	33.5	Very low	31.6	Very low	153 Å²	153	138.4 Å²	138.4	79%	0.785	83%	0.828	S	S	*	*			cis	-158.1	121.1	16.9	-80.5	159.1	0	0	0	103.9
3	A	29.3	Very low	31.8	Very low	77 Å²	77	143.2 Å²	143.2	64%	0.636	83%	0.832	S	S	*	*				62	110.7	106.2	0	0	0	0	0	116.3
4	I	31.6	Very low	31.8	Very low	164 Å²	164	141.1 Å²	141.1	84%	0.841	83%	0.83	S	S	*	*				70.4	114.6	102	-58.3	163.8	0	0	0	114.5
5	S	30.3	Very low	32.1	Very low	113 Å²	113	143.1 Å²	143.1	79%	0.79	83%	0.834	S	S	*	*				175.9	152.7	102.1	74.1	0	0	0	0	113.5
6	T	35.3	Very low	32.4	Very low	127 Å²	127	145.2 Å²	145.2	78%	0.779	84%	0.84	S	S	*	*			trans	-80	153.3	-177.6	49.2	0	0	0	0	113.8
7	V	31.2	Very low	32.2	Very low	145 Å²	145	144 Å²	144	88%	0.879	84%	0.84	S	S	*	*			trans	-158.9	137.5	131.7	178.5	0	0	0	0	110.9
8	S	30.3	Very low	32.4	Very low	105 Å²	105	146.5 Å²	146.5	73%	0.734	84%	0.842	S	S	*	*			trans	-55.1	156.3	171.1	-56.3	0	0	0	0	117.2
9	S	31.4	Very low	32.5	Very low	126 Å²	126	143.9 Å²	143.9	88%	0.881	84%	0.84	S	S	*	*			trans	-158.8	127.9	137.2	-82.2	0	0	0	0	110.8
10	A	29	Very low	32.5	Very low	91 Å²	91	142.5 Å²	142.5	75%	0.752	84%	0.839	S	S	*	*			trans	-74.5	145.9	179.6	0	0	0	0	0	111.7
11	L	34.4	Very low	32.5	Very low	166 Å²	166	142 Å²	142	87%	0.869	84%	0.838	S	S	*	*			trans	-130.2	115.5	163.6	-90.1	158.5	0	0	0	108.8
12	L	30.1	Very low	32.4	Very low	157 Å²	157	137.1 Å²	137.1	82%	0.822	82%	0.82	S	S	*	*			trans	-67.7	134.4	175.4	-77	90.7	0	0	0	110.5
13	F	34.4	Very low	32.3	Very low	200 Å²	200	135.3 Å²	135.3	88%	0.877	82%	0.816	S	S	*	*			trans	-123.5	116.7	152.4	-92.4	-81.3	0	0	0	109
14	S	31.7	Very low	32.3	Very low	115 Å²	115	139.3 Å²	139.3	80%	0.804	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-72.6	119.4	178.8	27.7	0	0	0	0	111
15	L	36.6	Very low	32.2	Very low	170 Å²	170	138.8 Å²	138.8	89%	0.89	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-94.4	123	165.1	-85.3	152.7	0	0	0	108.6	C17	L15-C17 PolarHBondContact O-N 2.93Å
16	L	35.5	Very low	32.3	Very low	177 Å²	177	141.3 Å²	141.3	93%	0.927	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-64.6	119.6	172.8	-73.1	155.3	0	0	0	109.1
17	C	29.4	Very low	32.2	Very low	125 Å²	125	140.1 Å²	140.1	85%	0.845	83%	0.826	S	S	*	*			trans	-106.3	108.3	169.3	-160.4	0	0	0	0	106.2	L15 A19	L15-C17 PolarHBondContact O-N 2.93Å; C17-A19 PolarHBondContact O-N 2.81Å
18	E	35.7	Very low	32.3	Very low	189 Å²	189	139.8 Å²	139.8	88%	0.883	82%	0.824	S	S	*	*			trans	-69.8	125	174.4	-80.5	-171.1	156.8	0	0	109.8
19	A	35.1	Very low	32.6	Very low	97 Å²	97	142.5 Å²	142.5	80%	0.802	83%	0.83	S	S	*	*			trans	-69.1	133.4	173.4	0	0	0	0	0	110.1	C17	C17-A19 PolarHBondContact O-N 2.81Å
20	S	32.7	Very low	32.6	Very low	116 Å²	116	141.9 Å²	141.9	81%	0.811	83%	0.826	S	S	*	*			trans	-125.5	128.2	152.6	-77	0	0	0	0	108.5
21	T	32.4	Very low	32.9	Very low	133 Å²	133	142.6 Å²	142.6	82%	0.816	83%	0.826	S	S	*	*			trans	-52	124.6	-171.9	45.2	0	0	0	0	113.5	V23	T21-V23 PolarHBondContact O-N 3.35Å
22	V	29.8	Very low	33.2	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	82%	0.822	S	S	*	*			trans	-81.7	105.5	163.6	-179.9	0	0	0	0	107.7
23	V	32.7	Very low	33.6	Very low	115 Å²	115	137.9 Å²	137.9	70%	0.697	82%	0.815	S	S	*	*			trans	-83.9	111.7	166	176.1	0	0	0	0	107.5	T21 L25	T21-V23 PolarHBondContact O-N 3.35Å; V23-L25 PolarHBondContact O-N 2.87Å
24	L	28.1	Very low	34.1	Very low	161 Å²	161	134.4 Å²	134.4	84%	0.843	81%	0.81	S	S	*	*			trans	-71.1	111.5	169	-78.4	158.6	0	0	0	109
25	L	30.9	Very low	34.8	Very low	154 Å²	154	135.8 Å²	135.8	81%	0.806	81%	0.808	S	S	*	*			trans	-98.9	107.1	159.9	-100.6	133.7	0	0	0	108	V23	V23-L25 PolarHBondContact O-N 2.87Å
26	N	30.8	Very low	35.5	Very low	165 Å²	165	132.2 Å²	132.2	88%	0.882	79%	0.79	S	S	*	*			trans	-83.1	121.9	169.9	-145.5	18.4	0	0	0	107.5
27	S	33.3	Very low	36.3	Very low	102 Å²	102	132.2 Å²	132.2	71%	0.713	78%	0.783	S	S	*	*			trans	-149.8	121.7	162.6	-59.2	0	0	0	0	108.9
28	T	33.7	Very low	37.5	Very low	138 Å²	138	130.2 Å²	130.2	85%	0.847	77%	0.767	S	S	*	*			trans	-50.6	131.2	179.6	39.3	0	0	0	0	115
29	D	35.8	Very low	38.6	Very low	162 Å²	162	126 Å²	126	87%	0.866	75%	0.751	S	S	*	*			trans	37.4	100.3	136.4	-139.9	3.5	0	0	0	118.8
30	S	32.5	Very low	39.9	Very low	113 Å²	113	127 Å²	127	79%	0.79	74%	0.741	S	S	*	*			trans	-153.8	142.9	141.2	40	0	0	0	0	109.5
31	S	35.7	Very low	41.3	Very low	107 Å²	107	127.8 Å²	127.8	75%	0.748	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-46.6	157.2	-172	38.2	0	0	0	0	116.7
32	P	40	Very low	42.9	Very low	120 Å²	120	124.1 Å²	124.1	78%	0.779	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-76.6	133.8	-167.6	30.7	-33.1	0	0	0	111.8
33	P	37.8	Very low	44.7	Very low	104 Å²	104	120.5 Å²	120.5	68%	0.675	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-78.5	134	157.5	31.9	-27	0	0	0	108.2	N35	P33-N35 PolarHBondContact O-N 3.5Å
34	T	44.9	Very low	46.1	Very low	127 Å²	127	120 Å²	120	78%	0.779	69%	0.692	S	S	*	*			trans	-62.2	97.7	170.3	46	0	0	0	0	109.2	N36	T34-N36 PolarHBondContact O-N 2.89Å; T34-N36 VanDerWaalsContact O-N 3.16Å
35	N	47.8	Very low	47.8	Very low	143 Å²	143	118.9 Å²	118.9	77%	0.765	68%	0.68	S	S	*	*			trans	-68.9	110.8	172.4	-71.3	-20.7	0	0	0	108.4	P33	P33-N35 PolarHBondContact O-N 3.5Å
36	N	50.6	Low	49.3	Very low	95 Å²	95	114.4 Å²	114.4	51%	0.508	67%	0.665	S	S	.	*			trans	-68.4	131.6	179.5	-75.7	-29.9	0	0	0	109.9	T34 T38 D39	T34-N36 PolarHBondContact O-N 2.89Å; T34-N36 VanDerWaalsContact O-N 3.16Å; N36-T38 VanDerWaalsContact CB-OG1 3.31Å; N36-T38 WeakPolarHBondContact CB-OG1 3.47Å; N36-T38 PolarHBondContact O-N 3.03Å; N36-D39 PolarHBondContact O-N 3.32Å
37	F	52.4	Low	50.7	Low	178 Å²	178	113.3 Å²	113.3	78%	0.781	66%	0.655	S	S	*	*	H	α-helix	trans	-54.7	-23.7	177.1	-139	-95.3	0	0	0	113.1	D39 E41	F37-D39 VanDerWaalsContact C-N 3.31Å; F37-D39 PolarHBondContact O-N 3.24Å; F37-E41 PolarHBondContact O-N 3.45Å
38	T	55.8	Low	51.8	Low	82 Å²	82	114.4 Å²	114.4	50%	0.503	65%	0.652	S	S	.	*	H	α-helix	trans	-65.3	-28.8	176.7	45.9	0	0	0	0	113.7	N36 E41 A42	N36-T38 VanDerWaalsContact CB-OG1 3.31Å; N36-T38 WeakPolarHBondContact CB-OG1 3.47Å; N36-T38 PolarHBondContact O-N 3.03Å; T38-E41 PolarHBondContact O-N 2.8Å; T38-A42 VanDerWaalsContact O-CB 3.31Å; T38-A42 WeakPolarHBondContact O-CB 3.08Å; T38-A42 PolarHBondContact O-N 3.4Å
39	D	58.5	Low	53	Low	102 Å²	102	113.7 Å²	113.7	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-79.4	-29.8	-175.1	-61.7	-28.5	0	0	0	111.5	N36 F37 A43	N36-D39 PolarHBondContact O-N 3.32Å; F37-D39 VanDerWaalsContact C-N 3.31Å; F37-D39 PolarHBondContact O-N 3.24Å; D39-A43 WeakPolarHBondContact O-CB 3.31Å; D39-A43 PolarHBondContact O-N 2.85Å
40	I	62.4	Low	53.9	Low	118 Å²	118	110.5 Å²	110.5	61%	0.605	63%	0.634	S	S	*	*	H	α-helix	trans	-71.8	-40.7	172.4	-60.3	175.7	0	0	0	110.3	A43 L44	I40-A43 PolarHBondContact O-N 3.01Å; I40-L44 WeakPolarHBondContact O-CB 3.36Å; I40-L44 PolarHBondContact O-N 3.23Å
41	E	62.4	Low	54.7	Low	132 Å²	132	107.4 Å²	107.4	62%	0.617	62%	0.615	S	S	*	*	H	α-helix	trans	-67.1	-38.1	177.5	-157.2	174.5	-163.9	0	0	111.6	F37 T38 K45	F37-E41 PolarHBondContact O-N 3.45Å; T38-E41 PolarHBondContact O-N 2.8Å; E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 3.22Å
42	A	65.9	Low	55.5	Low	56 Å²	56	110.2 Å²	110.2	46%	0.463	62%	0.621	S	S	.	*	H	α-helix	trans	-65.7	-41.3	172.5	0	0	0	0	0	112.2	T38 K45 A46	T38-A42 VanDerWaalsContact O-CB 3.31Å; T38-A42 WeakPolarHBondContact O-CB 3.08Å; T38-A42 PolarHBondContact O-N 3.4Å; A42-K45 PolarHBondContact O-N 3.38Å; A42-A46 WeakPolarHBondContact O-CB 3.35Å; A42-A46 PolarHBondContact O-N 3.08Å
43	A	66.3	Low	56.2	Low	56 Å²	56	110.6 Å²	110.6	46%	0.463	62%	0.616	S	S	.	*	H	α-helix	trans	-67.4	-39.7	176.4	0	0	0	0	0	112.4	D39 I40 A46 Q47	D39-A43 WeakPolarHBondContact O-CB 3.31Å; D39-A43 PolarHBondContact O-N 2.85Å; I40-A43 PolarHBondContact O-N 3.01Å; A43-A46 PolarHBondContact O-N 3.05Å; A43-Q47 PolarHBondContact O-N 2.89Å
44	L	63.1	Low	56.5	Low	104 Å²	104	110.9 Å²	110.9	55%	0.545	62%	0.617	S	S	.	*	H	α-helix	trans	-67.3	-38.5	176.4	-167.2	70	0	0	0	111.5	I40 Q47 L48	I40-L44 WeakPolarHBondContact O-CB 3.36Å; I40-L44 PolarHBondContact O-N 3.23Å; L44-Q47 PolarHBondContact O-N 3.16Å; L44-L48 HydrophobicContact CG-CD1 4.5Å; L44-L48 PolarHBondContact O-N 3.27Å
45	K	63.3	Low	56.8	Low	138 Å²	138	114.8 Å²	114.8	60%	0.6	62%	0.623	S	S	*	*	H	α-helix	trans	-65.8	-41.6	174	-172.6	166.1	-177.1	167.3	0	112.1	E41 A42 Q47 L48 D49	E41-K45 VanDerWaalsContact O-CB 3.25Å; E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 3.22Å; A42-K45 PolarHBondContact O-N 3.38Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; K45-Q47 PolarHBondContact O-N 3.44Å; K45-L48 PolarHBondContact O-N 3.31Å; K45-D49 WeakPolarHBondContact O-CB 3.37Å; K45-D49 PolarHBondContact O-N 3.16Å
46	A	62.7	Low	57	Low	60 Å²	60	112.1 Å²	112.1	50%	0.496	62%	0.622	S	S	.	*	H	α-helix	trans	-64	-32.8	174.8	0	0	0	0	0	112.7	A42 A43 S50	A42-A46 WeakPolarHBondContact O-CB 3.35Å; A42-A46 PolarHBondContact O-N 3.08Å; A43-A46 PolarHBondContact O-N 3.05Å; A46-S50 PolarHBondContact O-N 2.73Å; A46-S50 VanDerWaalsContact O-N 3.12Å
47	Q	60	Low	57.3	Low	142 Å²	142	119.3 Å²	119.3	66%	0.664	64%	0.641	S	S	*	*	H	α-helix	trans	-73.4	-31.8	173	-75.5	-162.5	-21.7	0	0	113.5	A43 L44 K45	A43-Q47 PolarHBondContact O-N 2.89Å; L44-Q47 PolarHBondContact O-N 3.16Å; K45-Q47 VanDerWaalsContact C-N 3.29Å; K45-Q47 PolarHBondContact O-N 3.44Å
48	L	57.1	Low	57.8	Low	125 Å²	125	119.8 Å²	119.8	65%	0.654	64%	0.638	S	S	*	*	H	α-helix	trans	-72.5	-30.5	173.2	-82.6	153.3	0	0	0	112.7	L44 K45	L44-L48 HydrophobicContact CG-CD1 4.5Å; L44-L48 PolarHBondContact O-N 3.27Å; K45-L48 PolarHBondContact O-N 3.31Å
49	D	57.9	Low	58.3	Low	124 Å²	124	124.8 Å²	124.8	66%	0.663	65%	0.653	S	S	*	*	H	α-helix	trans	-85.1	-20.4	179.4	-71.1	-26.1	0	0	0	113.2	K45	K45-D49 WeakPolarHBondContact O-CB 3.37Å; K45-D49 PolarHBondContact O-N 3.16Å
50	S	54.3	Low	58.9	Low	95 Å²	95	124.9 Å²	124.9	66%	0.664	65%	0.646	S	S	*	*	H	α-helix	trans	-86.8	-13.4	175.5	90.4	0	0	0	0	114	A46 D52	A46-S50 PolarHBondContact O-N 2.73Å; A46-S50 VanDerWaalsContact O-N 3.12Å; S50-D52 PolarHBondContact O-N 3.11Å; S50-D52 VanDerWaalsContact O-N 3.11Å
51	A	50	Low	60	Low	48 Å²	48	123.9 Å²	123.9	40%	0.397	64%	0.635	S	S	.	*			trans	-77.3	95.7	168.3	0	0	0	0	0	108.3	I53	A51-I53 HydrophobicContact CB-CD1 4.28Å; A51-I53 HydrophobicContact CB-CG1 4Å; A51-I53 PolarHBondContact O-N 3.13Å
52	D	52.2	Low	61.4	Low	165 Å²	165	118.1 Å²	118.1	88%	0.882	61%	0.608	S	S	*	*			trans	-65.2	56	166.7	-114.4	-20.8	0	0	0	110.2	S50 P54	S50-D52 PolarHBondContact O-N 3.11Å; S50-D52 VanDerWaalsContact O-N 3.11Å; D52-P54 VanDerWaalsContact O-CD 3.26Å; D52-P54 WeakPolarHBondContact O-CD 3.29Å
53	I	54.6	Low	62.7	Low	129 Å²	129	118 Å²	118	66%	0.662	60%	0.604	S	S	*	*			trans	-70	116.1	166.4	-58.4	-179.9	0	0	0	104.4	A51 K55	A51-I53 HydrophobicContact CB-CD1 4.28Å; A51-I53 HydrophobicContact CB-CG1 4Å; A51-I53 PolarHBondContact O-N 3.13Å; I53-K55 PolarHBondContact O-N 2.98Å
54	P	45	Very low	64	Low	109 Å²	109	118.2 Å²	118.2	71%	0.708	60%	0.595	S	S	*	*			trans	-53.8	115.9	173.1	-19.3	30.2	0	0	0	106.6	D52 A56	D52-P54 VanDerWaalsContact O-CD 3.26Å; D52-P54 WeakPolarHBondContact O-CD 3.29Å; P54-A56 PolarHBondContact O-N 2.8Å
55	K	50.5	Low	65.5	Low	209 Å²	209	119.3 Å²	119.3	91%	0.909	60%	0.602	S	S	*	*			trans	-63.9	82	165.1	-79.4	179.8	-178.2	169.1	0	105.4	I53 R57	I53-K55 PolarHBondContact O-N 2.98Å; K55-R57 PolarHBondContact O-N 2.77Å
56	A	52.4	Low	67.1	Low	88 Å²	88	114.1 Å²	114.1	73%	0.727	58%	0.581	S	S	*	*			trans	-52.7	112.3	172.3	0	0	0	0	0	104.5	P54 R58	P54-A56 PolarHBondContact O-N 2.8Å; A56-R58 PolarHBondContact O-N 3.38Å
57	R	57	Low	68.7	Low	245 Å²	245	111.3 Å²	111.3	93%	0.925	56%	0.557	S	S	*	*			trans	-61.3	91.8	179.1	-175.9	178.4	175.9	172.8	-0.6	106.1	K55 K59	K55-R57 PolarHBondContact O-N 2.77Å; R57-K59 PolarHBondContact O-N 3.14Å
58	R	62.6	Low	70.5	Confident	188 Å²	188	107.3 Å²	107.3	71%	0.709	54%	0.54	S	S	*	.			trans	-57	116.2	-176.8	-174.8	174	167.4	164	-2.5	106.2	A56 R60 E102	A56-R58 PolarHBondContact O-N 3.38Å; R58-R60 PolarHBondContact O-N 2.66Å; R58-E102 IonicContact CZ-OE1 3.94Å; R58-E102 IonicContact NE-OE1 3.65Å; R58-E102 PolarHBondContact NE-OE1 2.04Å; R58-E102 IonicContact NH2-OE1 2.93Å; R58-E102 PolarHBondContact NH2-OE1 3.41Å
59	K	67.1	Low	72.5	Confident	188 Å²	188	102.7 Å²	102.7	82%	0.817	52%	0.52	S	S	*	.			trans	-61.1	114.3	-179.8	-173.2	176.3	-179.2	179.9	0	107.1	R57	R57-K59 PolarHBondContact O-N 3.14Å
60	R	71.1	Confident	74.4	Confident	103 Å²	103	96.8 Å²	96.8	39%	0.389	49%	0.488	S	S	.	.			trans	-56.2	138.1	176.2	-66.2	-177.8	-178	171.1	-1.5	108.6	R58 I62 F257	R58-R60 PolarHBondContact O-N 2.66Å; R60-I62 WeakPolarHBondContact CB-O 3.3Å; R60-I62 PolarHBondContact O-N 2.91Å; R60-F257 PolarHBondContact NH2-O 2.96Å
61	Y	83.6	Confident	76.5	Confident	98 Å²	98	92.4 Å²	92.4	38%	0.384	46%	0.457	S	S	.	.	S	Bend	trans	-71.1	-16.3	179.7	-88.4	-100.9	0	0	0	113.1	E102 I188 H189	Y61-E102 HydrophobicContact CD2-CG 3.39Å; Y61-E102 WeakPolarHBondContact CD2-OE1 3.47Å; Y61-E102 HydrophobicContact CE2-CG 3.87Å; Y61-E102 WeakPolarHBondContact CE2-OE1 3.45Å; Y61-E102 HydrophobicContact CG-CG 3.73Å; Y61-I188 WeakPolarHBondContact O-CG2 3.41Å; Y61-H189 AromaticContact CD1-ND1 3.71Å; Y61-H189 AromaticContact CE1-CE1 3.85Å; Y61-H189 AromaticContact CE1-ND1 3.25Å; Y61-H189 VanDerWaalsContact CE1-ND1 3.25Å; Y61-H189 WeakPolarHBondContact CE1-ND1 3.26Å
62	I	93.2	Very high	78.8	Confident	11 Å²	11	94.4 Å²	94.4	6%	0.056	46%	0.461	C	S	.	.	S	Bend	trans	-121	142.8	172.4	-169.2	163.1	0	0	0	110.3	R60 D66 M67 I70 W93 C186 I188	R60-I62 WeakPolarHBondContact CB-O 3.3Å; R60-I62 PolarHBondContact O-N 2.91Å; I62-D66 HydrophobicContact CD1-CB 3.97Å; I62-D66 HydrophobicContact CG1-CB 3.61Å; I62-M67 HydrophobicContact CD1-CG 4.41Å; I62-M67 HydrophobicContact CG1-CG 4.17Å; I62-M67 HydrophobicContact CG2-CG 3.65Å; I62-M67 HydrophobicContact CG2-SD 4.14Å; I62-I70 HydrophobicContact CD1-CD1 3.49Å; I62-I70 VanDerWaalsContact CD1-CD1 3.49Å; I62-W93 HydrophobicContact CD1-CH2 4.29Å; I62-W93 HydrophobicContact CG2-CH2 4.39Å; I62-W93 HydrophobicContact CG2-CZ2 4.23Å; I62-C186 HydrophobicContact CD1-CB 4.33Å; I62-C186 WeakPolarHBondContact CG2-O 3.42Å; I62-I188 HydrophobicContact CB-CG2 4.35Å; I62-I188 HydrophobicContact CG1-CG2 4.45Å
63	S	93.7	Very high	81	Confident	53 Å²	53	87.7 Å²	87.7	37%	0.371	42%	0.424	S	S	.	.			trans	-78.5	155.1	178.6	81.4	0	0	0	0	111.4	N65 D66 M67	S63-N65 PolarHBondContact O-N 3.08Å; S63-D66 PolarHBondContact O-N 2.98Å; S63-D66 VanDerWaalsContact O-N 3.1Å; S63-D66 WeakPolarHBondContact OG-CB 3.44Å; S63-D66 PolarHBondContact OG-N 3.36Å; S63-D66 VanDerWaalsContact OG-N 3.14Å; S63-D66 PolarHBondContact OG-OD2 2.94Å; S63-M67 VanDerWaalsContact O-CG 3.28Å; S63-M67 WeakPolarHBondContact O-CG 3.37Å; S63-M67 PolarHBondContact O-N 3.22Å
64	Q	93.1	Very high	83.2	Confident	60 Å²	60	81.5 Å²	81.5	28%	0.28	39%	0.392	S	S	.	.	H	α-helix	trans	-57.6	-38.5	176.9	-172.6	58.3	55	0	0	112.5	M67 I68 F257	Q64-M67 PolarHBondContact O-N 2.96Å; Q64-I68 HydrophobicContact CG-CD1 4.2Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.05Å; Q64-I68 VanDerWaalsContact O-N 3.08Å; Q64-F257 VanDerWaalsContact NE2-CE1 3.32Å
65	N	94.8	Very high	85.7	Confident	127 Å²	127	76.9 Å²	76.9	68%	0.679	36%	0.361	S	S	*	.	H	α-helix	trans	-66.7	-38.8	177.7	-67.4	-10.8	0	0	0	111.5	S63 A69	S63-N65 PolarHBondContact O-N 3.08Å; N65-A69 VanDerWaalsContact O-CB 3.31Å; N65-A69 WeakPolarHBondContact O-CB 2.93Å; N65-A69 PolarHBondContact O-N 2.96Å
66	D	96.6	Very high	88	Confident	29 Å²	29	71.6 Å²	71.6	16%	0.155	34%	0.34	C	S	.	.	H	α-helix	trans	-69.8	-38.8	176.9	-65.2	-42.8	0	0	0	111.5	I62 S63 I68 A69 I70 I135	I62-D66 HydrophobicContact CD1-CB 3.97Å; I62-D66 HydrophobicContact CG1-CB 3.61Å; S63-D66 PolarHBondContact O-N 2.98Å; S63-D66 VanDerWaalsContact O-N 3.1Å; S63-D66 WeakPolarHBondContact OG-CB 3.44Å; S63-D66 PolarHBondContact OG-N 3.36Å; S63-D66 VanDerWaalsContact OG-N 3.14Å; S63-D66 PolarHBondContact OG-OD2 2.94Å; D66-I68 PolarHBondContact O-N 3.11Å; D66-A69 PolarHBondContact O-N 3.1Å; D66-I70 WeakPolarHBondContact O-CB 3.33Å; D66-I70 VanDerWaalsContact O-CG1 3.23Å; D66-I70 WeakPolarHBondContact O-CG1 2.93Å; D66-I70 PolarHBondContact O-N 2.94Å; D66-I135 HydrophobicContact CB-CB 3.96Å; D66-I135 HydrophobicContact CB-CG1 4.14Å; D66-I135 HydrophobicContact CB-CG2 3.84Å; D66-I135 WeakPolarHBondContact OD1-CB 3.2Å; D66-I135 WeakPolarHBondContact OD1-CG2 3.23Å
67	M	96.8	Very high	90.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-49.5	174.1	-64.2	160.2	69.6	0	0	111.1	I62 S63 Q64 I70 L71 W93 E95 F257	I62-M67 HydrophobicContact CD1-CG 4.41Å; I62-M67 HydrophobicContact CG1-CG 4.17Å; I62-M67 HydrophobicContact CG2-CG 3.65Å; I62-M67 HydrophobicContact CG2-SD 4.14Å; S63-M67 VanDerWaalsContact O-CG 3.28Å; S63-M67 WeakPolarHBondContact O-CG 3.37Å; S63-M67 PolarHBondContact O-N 3.22Å; Q64-M67 PolarHBondContact O-N 2.96Å; M67-I70 PolarHBondContact O-N 2.94Å; M67-L71 WeakPolarHBondContact O-CB 3.32Å; M67-L71 PolarHBondContact O-N 2.68Å; M67-W93 HydrophobicContact CB-CD2 4.43Å; M67-W93 HydrophobicContact CB-CE3 4.3Å; M67-W93 HydrophobicContact CB-CH2 4.14Å; M67-W93 HydrophobicContact CB-CZ2 4.3Å; M67-W93 HydrophobicContact CB-CZ3 4.16Å; M67-W93 HydrophobicContact CE-CD2 4.12Å; M67-W93 HydrophobicContact CE-CG 4.23Å; M67-W93 HydrophobicContact CE-CZ2 3.93Å; M67-W93 HydrophobicContact CG-CH2 3.76Å; M67-W93 HydrophobicContact CG-CZ2 3.66Å; M67-W93 HydrophobicContact CG-CZ3 4.29Å; M67-W93 HydrophobicContact SD-CZ2 4.44Å; M67-E95 VanDerWaalsContact CE-OE1 3.25Å; M67-E95 WeakPolarHBondContact CE-OE1 3.43Å; M67-F257 HydrophobicContact CB-CE1 4.27Å; M67-F257 HydrophobicContact CE-CD1 3.62Å; M67-F257 HydrophobicContact CE-CE1 4Å
68	I	97.1	Very high	92.2	Very high	58 Å²	58	56 Å²	56	30%	0.297	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-49.6	177	-68.3	164.7	0	0	0	110	Q64 D66 I70 L71 D72 F257	Q64-I68 HydrophobicContact CG-CD1 4.2Å; Q64-I68 WeakPolarHBondContact O-CG1 3.48Å; Q64-I68 PolarHBondContact O-N 3.05Å; Q64-I68 VanDerWaalsContact O-N 3.08Å; D66-I68 PolarHBondContact O-N 3.11Å; I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 PolarHBondContact O-N 3.33Å; I68-L71 PolarHBondContact O-N 3.23Å; I68-D72 VanDerWaalsContact CG2-OD2 3.25Å; I68-D72 WeakPolarHBondContact CG2-OD2 3.31Å; I68-D72 WeakPolarHBondContact O-CB 3.27Å; I68-D72 VanDerWaalsContact O-CG 3.24Å; I68-D72 PolarHBondContact O-N 3.3Å; I68-F257 HydrophobicContact CD1-CE2 4.16Å; I68-F257 HydrophobicContact CD1-CZ 4.48Å; I68-F257 HydrophobicContact CG1-CE1 4.49Å; I68-F257 HydrophobicContact CG1-CE2 3.71Å; I68-F257 HydrophobicContact CG1-CZ 3.57Å
69	A	98.3	Very high	93.9	Very high	28 Å²	28	47.5 Å²	47.5	23%	0.231	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-41.5	-179.4	0	0	0	0	0	112.8	N65 D66 Y73 I135 L136	N65-A69 VanDerWaalsContact O-CB 3.31Å; N65-A69 WeakPolarHBondContact O-CB 2.93Å; N65-A69 PolarHBondContact O-N 2.96Å; D66-A69 PolarHBondContact O-N 3.1Å; A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 2.91Å; A69-I135 HydrophobicContact CB-CG2 3.94Å; A69-L136 HydrophobicContact CB-CD2 4.42Å; A69-L136 HydrophobicContact CB-CG 4.47Å
70	I	98.7	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-51.1	175.2	-69.2	175	0	0	0	110.2	I62 D66 M67 I68 Y73 H74 I135 V139 I184 C186 L207	I62-I70 HydrophobicContact CD1-CD1 3.49Å; I62-I70 VanDerWaalsContact CD1-CD1 3.49Å; D66-I70 WeakPolarHBondContact O-CB 3.33Å; D66-I70 VanDerWaalsContact O-CG1 3.23Å; D66-I70 WeakPolarHBondContact O-CG1 2.93Å; D66-I70 PolarHBondContact O-N 2.94Å; M67-I70 PolarHBondContact O-N 2.94Å; I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 PolarHBondContact O-N 3.33Å; I70-Y73 PolarHBondContact O-N 2.81Å; I70-H74 PolarHBondContact O-N 2.04Å; I70-H74 PolarHBondContact O-ND1 3.38Å; I70-I135 HydrophobicContact CD1-CG1 3.8Å; I70-I135 HydrophobicContact CG1-CG1 3.94Å; I70-I135 HydrophobicContact CG1-CG2 4.09Å; I70-V139 HydrophobicContact CG1-CG2 4.13Å; I70-I184 HydrophobicContact CG2-CD1 3.93Å; I70-C186 HydrophobicContact CD1-CB 3.94Å; I70-L207 HydrophobicContact CD1-CD1 4.32Å
71	L	98.5	Very high	96.7	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-47.6	-175.3	-173.9	64.3	0	0	0	111.6	M67 I68 Y73 H74 N75 M91 W93 I184	M67-L71 WeakPolarHBondContact O-CB 3.32Å; M67-L71 PolarHBondContact O-N 2.68Å; I68-L71 PolarHBondContact O-N 3.23Å; L71-Y73 VanDerWaalsContact C-N 3.32Å; L71-Y73 PolarHBondContact O-N 2.83Å; L71-H74 PolarHBondContact O-N 2.82Å; L71-N75 PolarHBondContact O-N 3.38Å; L71-N75 PolarHBondContact O-ND2 3.18Å; L71-M91 HydrophobicContact CD1-CB 4.37Å; L71-M91 HydrophobicContact CD1-CG 4.1Å; L71-M91 WeakPolarHBondContact CD1-O 3.41Å; L71-W93 HydrophobicContact CD2-CB 4.27Å; L71-I184 HydrophobicContact CD1-CG2 3.72Å
72	D	98.4	Very high	97.4	Very high	89 Å²	89	43.9 Å²	43.9	48%	0.476	22%	0.224	S	C	.	.	H	α-helix	trans	-61.6	-42.2	178.6	-70.1	-8.4	0	0	0	110.9	I68 N75 Q76	I68-D72 VanDerWaalsContact CG2-OD2 3.25Å; I68-D72 WeakPolarHBondContact CG2-OD2 3.31Å; I68-D72 WeakPolarHBondContact O-CB 3.27Å; I68-D72 VanDerWaalsContact O-CG 3.24Å; I68-D72 PolarHBondContact O-N 3.3Å; D72-N75 PolarHBondContact O-N 3.21Å; D72-Q76 VanDerWaalsContact O-CB 3.23Å; D72-Q76 WeakPolarHBondContact O-CB 3.49Å; D72-Q76 PolarHBondContact O-N 2.89Å
73	Y	98.8	Very high	97.6	Very high	24 Å²	24	43.7 Å²	43.7	9%	0.094	22%	0.223	C	C	.	.	H	α-helix	trans	-65.5	-39.5	177.2	-172.1	-107.6	0	0	0	111.9	A69 I70 L71 Q76 V77 L136 V139 K140 Y143 M176	A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 2.91Å; I70-Y73 PolarHBondContact O-N 2.81Å; L71-Y73 VanDerWaalsContact C-N 3.32Å; L71-Y73 PolarHBondContact O-N 2.83Å; Y73-Q76 PolarHBondContact O-N 3.34Å; Y73-V77 HydrophobicContact CD1-CG1 4.43Å; Y73-V77 HydrophobicContact CE1-CG1 3.98Å; Y73-V77 HydrophobicContact CE2-CG1 4.11Å; Y73-V77 WeakPolarHBondContact O-CG1 3.3Å; Y73-V77 WeakPolarHBondContact O-CG2 3.49Å; Y73-V77 PolarHBondContact O-N 3Å; Y73-L136 HydrophobicContact CD1-CD2 4.24Å; Y73-L136 HydrophobicContact CD2-CD2 4.46Å; Y73-L136 HydrophobicContact CG-CD2 3.86Å; Y73-V139 HydrophobicContact CD1-CB 4.4Å; Y73-V139 HydrophobicContact CD1-CG1 3.63Å; Y73-V139 HydrophobicContact CE1-CG1 4.04Å; Y73-K140 HydrophobicContact CE1-CG 4.03Å; Y73-K140 HydrophobicContact CE2-CG 4.15Å; Y73-Y143 WeakPolarHBondContact OH-CB 3.4Å; Y73-Y143 WeakPolarHBondContact OH-CD1 3.02Å; Y73-M176 HydrophobicContact CD1-CE 3.96Å; Y73-M176 HydrophobicContact CE1-CE 3.93Å
74	H	98.9	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-50.8	174.3	-81.2	76.9	0	0	0	111.7	I70 L71 Q76 V77 R78 M91 I184 Y211	I70-H74 PolarHBondContact O-N 2.04Å; I70-H74 PolarHBondContact O-ND1 3.38Å; L71-H74 PolarHBondContact O-N 2.82Å; H74-Q76 VanDerWaalsContact C-N 3.3Å; H74-Q76 PolarHBondContact O-N 3.28Å; H74-V77 WeakPolarHBondContact O-CG2 3.3Å; H74-V77 PolarHBondContact O-N 3.41Å; H74-R78 WeakPolarHBondContact O-CB 3.17Å; H74-R78 WeakPolarHBondContact O-CD 3.04Å; H74-R78 WeakPolarHBondContact O-CG 3.45Å; H74-R78 PolarHBondContact O-N 3.43Å; H74-M91 HydrophobicContact CB-SD 3.76Å; H74-I184 VanDerWaalsContact CE1-CD1 3.46Å; H74-I184 WeakPolarHBondContact CE1-CD1 3.49Å; H74-I184 WeakPolarHBondContact NE2-CD1 3.4Å; H74-Y211 AromaticContact CD2-CE1 3.8Å; H74-Y211 AromaticContact NE2-CE1 3.59Å; H74-Y211 AromaticContact NE2-CZ 3.61Å; H74-Y211 PolarHBondContact NE2-OH 3.06Å
75	N	98.7	Very high	98.1	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.059	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-36.7	178.8	-75.4	-41.3	0	0	0	112.1	L71 D72 V77 R78 G79 Y90 M91 L244	L71-N75 PolarHBondContact O-N 3.38Å; L71-N75 PolarHBondContact O-ND2 3.18Å; D72-N75 PolarHBondContact O-N 3.21Å; N75-V77 PolarHBondContact O-N 3.25Å; N75-R78 PolarHBondContact O-N 3.39Å; N75-G79 PolarHBondContact O-N 2.84Å; N75-Y90 HydrophobicContact CB-CE2 4.09Å; N75-Y90 WeakPolarHBondContact ND2-CE2 3.19Å; N75-Y90 VanDerWaalsContact ND2-CZ 3.27Å; N75-M91 PolarHBondContact ND2-O 2.99Å; N75-M91 VanDerWaalsContact OD1-CB 3.28Å; N75-M91 WeakPolarHBondContact OD1-CB 3.36Å; N75-M91 PolarHBondContact OD1-N 3.49Å; N75-L244 HydrophobicContact CB-CD1 3.92Å
76	Q	98.6	Very high	98.3	Very high	98 Å²	98	35.2 Å²	35.2	46%	0.458	18%	0.18	S	C	.	.	H	α-helix	trans	-59.6	-47.3	173.6	177.2	177.6	76.3	0	0	112.4	D72 Y73 H74 K80	D72-Q76 VanDerWaalsContact O-CB 3.23Å; D72-Q76 WeakPolarHBondContact O-CB 3.49Å; D72-Q76 PolarHBondContact O-N 2.89Å; Y73-Q76 PolarHBondContact O-N 3.34Å; H74-Q76 VanDerWaalsContact C-N 3.3Å; H74-Q76 PolarHBondContact O-N 3.28Å; Q76-K80 HydrophobicContact CG-CD 4.1Å; Q76-K80 VanDerWaalsContact O-CG 3.31Å; Q76-K80 WeakPolarHBondContact O-CG 3.34Å; Q76-K80 PolarHBondContact O-N 3Å
77	V	98.6	Very high	98.3	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.03	18%	0.181	C	C	.	.	H	α-helix	trans	-70	-37.6	180	-60.7	0	0	0	0	111.5	Y73 H74 N75 G79 K80 V81 Y143 M176	Y73-V77 HydrophobicContact CD1-CG1 4.43Å; Y73-V77 HydrophobicContact CE1-CG1 3.98Å; Y73-V77 HydrophobicContact CE2-CG1 4.11Å; Y73-V77 WeakPolarHBondContact O-CG1 3.3Å; Y73-V77 WeakPolarHBondContact O-CG2 3.49Å; Y73-V77 PolarHBondContact O-N 3Å; H74-V77 WeakPolarHBondContact O-CG2 3.3Å; H74-V77 PolarHBondContact O-N 3.41Å; N75-V77 PolarHBondContact O-N 3.25Å; V77-G79 VanDerWaalsContact C-N 3.35Å; V77-G79 PolarHBondContact O-N 3.47Å; V77-K80 PolarHBondContact O-N 2.84Å; V77-V81 WeakPolarHBondContact O-CG1 3.14Å; V77-V81 PolarHBondContact O-N 3.44Å; V77-Y143 HydrophobicContact CB-CD2 3.72Å; V77-Y143 HydrophobicContact CB-CE2 3.9Å; V77-Y143 HydrophobicContact CG1-CD1 4.45Å; V77-Y143 HydrophobicContact CG1-CD2 3.49Å; V77-Y143 VanDerWaalsContact CG1-CD2 3.49Å; V77-Y143 HydrophobicContact CG1-CE2 3.82Å; V77-Y143 HydrophobicContact CG1-CG 3.84Å; V77-Y143 HydrophobicContact CG2-CD2 4.41Å; V77-M176 HydrophobicContact CG2-CB 4.49Å; V77-M176 HydrophobicContact CG2-CE 3.89Å
78	R	98.8	Very high	98.4	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-40.5	177.2	-71.7	168.8	75	76.3	-0.3	112.3	H74 N75 K80 M88 E89 M176 W178 A179 S181 L244	H74-R78 WeakPolarHBondContact O-CB 3.17Å; H74-R78 WeakPolarHBondContact O-CD 3.04Å; H74-R78 WeakPolarHBondContact O-CG 3.45Å; H74-R78 PolarHBondContact O-N 3.43Å; N75-R78 PolarHBondContact O-N 3.39Å; R78-K80 VanDerWaalsContact C-N 3.26Å; R78-K80 PolarHBondContact O-N 3.18Å; R78-M88 HydrophobicContact CB-CG 3.82Å; R78-M88 HydrophobicContact CB-SD 3.92Å; R78-M88 HydrophobicContact CG-CG 4.47Å; R78-M88 HydrophobicContact CG-SD 3.97Å; R78-M88 PolarHBondContact NH2-SD 3.08Å; R78-M88 VanDerWaalsContact NH2-SD 3.39Å; R78-E89 PolarHBondContact NE-O 3.41Å; R78-E89 VanDerWaalsContact NE-O 3.08Å; R78-E89 PolarHBondContact NH2-O 3.17Å; R78-M176 VanDerWaalsContact CG-O 3.3Å; R78-M176 WeakPolarHBondContact CG-O 3.41Å; R78-M176 PolarHBondContact NH1-O 2.96Å; R78-W178 PolarHBondContact NH1-O 3.07Å; R78-W178 PolarHBondContact NH2-O 2.86Å; R78-W178 VanDerWaalsContact NH2-O 3.17Å; R78-A179 PolarHBondContact NH2-O 3.21Å; R78-S181 PolarHBondContact NH2-O 3.47Å; R78-L244 HydrophobicContact CB-CD2 3.7Å
79	G	98.4	Very high	98.5	Very high	9 Å²	9	33.7 Å²	33.7	9%	0.093	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.5	178.3	0	0	0	0	0	114.8	N75 V77 D242 N243	N75-G79 PolarHBondContact O-N 2.84Å; V77-G79 VanDerWaalsContact C-N 3.35Å; V77-G79 PolarHBondContact O-N 3.47Å; G79-D242 VanDerWaalsContact CA-O 3.32Å; G79-D242 WeakPolarHBondContact CA-O 3.45Å; G79-N243 PolarHBondContact O-ND2 3.46Å
80	K	98.2	Very high	98.4	Very high	138 Å²	138	34.1 Å²	34.1	60%	0.6	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.9	12.1	-175.2	-67.9	179.7	-179.3	-178.6	0	113.8	Q76 V77 R78	Q76-K80 HydrophobicContact CG-CD 4.1Å; Q76-K80 VanDerWaalsContact O-CG 3.31Å; Q76-K80 WeakPolarHBondContact O-CG 3.34Å; Q76-K80 PolarHBondContact O-N 3Å; V77-K80 PolarHBondContact O-N 2.84Å; R78-K80 VanDerWaalsContact C-N 3.26Å; R78-K80 PolarHBondContact O-N 3.18Å
81	V	98.7	Very high	98.4	Very high	16 Å²	16	34.1 Å²	34.1	10%	0.097	17%	0.167	C	C	.	.			trans	-62.8	147.7	-179.3	-63.2	0	0	0	0	112	V77 A85 M88 V177 Y223	V77-V81 WeakPolarHBondContact O-CG1 3.14Å; V77-V81 PolarHBondContact O-N 3.44Å; V81-A85 HydrophobicContact CG2-CB 3.76Å; V81-M88 HydrophobicContact CG1-CE 4.2Å; V81-M88 HydrophobicContact CG2-CE 4.06Å; V81-V177 HydrophobicContact CG1-CB 3.85Å; V81-V177 HydrophobicContact CG1-CG1 3.52Å; V81-Y223 HydrophobicContact CB-CE1 4.02Å; V81-Y223 HydrophobicContact CG1-CE1 4.16Å; V81-Y223 HydrophobicContact CG2-CE1 4.04Å; V81-Y223 HydrophobicContact CG2-CE2 4.23Å
82	F	97.6	Very high	98.3	Very high	160 Å²	160	35.2 Å²	35.2	70%	0.702	17%	0.174	S	C	*	.	S	Bend	trans	-127.4	132.5	167.4	-173.8	-94.9	0	0	0	109.2	Y223	F82-Y223 PolarHBondContact O-OH 3.33Å
83	P	98.2	Very high	98.3	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.039	15%	0.154	C	C	.	.	S	Bend	cis	-62.1	159.3	-4.4	28.5	-36.6	0	0	0	113.3	F151 Y153 Y223 V225	P83-F151 HydrophobicContact CG-CB 4.19Å; P83-F151 HydrophobicContact CG-CD1 3.57Å; P83-F151 HydrophobicContact CG-CD2 4.26Å; P83-F151 HydrophobicContact CG-CE1 4.03Å; P83-F151 HydrophobicContact CG-CG 3.72Å; P83-Y153 HydrophobicContact CB-CE1 4.18Å; P83-Y153 HydrophobicContact CG-CE1 4.05Å; P83-Y223 HydrophobicContact CG-CE2 4.29Å; P83-Y223 WeakPolarHBondContact O-CE2 3.33Å; P83-Y223 PolarHBondContact O-OH 2.92Å; P83-Y223 VanDerWaalsContact O-OH 3.08Å; P83-V225 HydrophobicContact CB-CG1 4.02Å; P83-V225 HydrophobicContact CB-CG2 4.24Å; P83-V225 HydrophobicContact CG-CG1 4.4Å; P83-V225 HydrophobicContact CG-CG2 3.7Å
84	P	98.4	Very high	98.2	Very high	56 Å²	56	31.6 Å²	31.6	36%	0.364	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-61.8	141.9	-179	-23.7	34.6	0	0	0	112.6	V225 G226 P228	P84-V225 WeakPolarHBondContact O-CA 3.2Å; P84-G226 CarbonylContact C-O 3.51Å; P84-G226 WeakPolarHBondContact CB-O 3.49Å; P84-G226 PolarHBondContact O-N 2.57Å; P84-G226 VanDerWaalsContact O-O 3.12Å; P84-P228 HydrophobicContact CB-CG 4.25Å
85	A	98.7	Very high	98	Very high	5 Å²	5	34 Å²	34	4%	0.041	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-97.7	125.5	-176.9	0	0	0	0	0	112.1	V81 M88 Y223 K224 P228	V81-A85 HydrophobicContact CG2-CB 3.76Å; A85-M88 HydrophobicContact CB-CB 3.85Å; A85-M88 HydrophobicContact CB-CE 3.73Å; A85-Y223 HydrophobicContact CB-CD1 4.43Å; A85-Y223 HydrophobicContact CB-CD2 3.45Å; A85-Y223 VanDerWaalsContact CB-CD2 3.45Å; A85-Y223 HydrophobicContact CB-CE2 3.99Å; A85-Y223 HydrophobicContact CB-CG 3.7Å; A85-K224 CarbonylContact C-O 3.52Å; A85-K224 WeakPolarHBondContact CA-O 3.39Å; A85-P228 WeakPolarHBondContact O-CA 3.33Å
86	A	98.4	Very high	97.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	19%	0.192	C	C	.	.	S	Bend	trans	-76.6	-23.5	178.8	0	0	0	0	0	114.1	K224 V227 C229 S230 S231	A86-K224 HydrophobicContact CB-CB 4.49Å; A86-K224 HydrophobicContact CB-CG 4.44Å; A86-K224 PolarHBondContact N-O 3.37Å; A86-V227 WeakPolarHBondContact CA-O 3.37Å; A86-C229 CarbonylContact O-C 3.3Å; A86-C229 VanDerWaalsContact O-C 3.3Å; A86-C229 WeakPolarHBondContact O-CA 3.42Å; A86-C229 PolarHBondContact O-N 3.48Å; A86-S230 WeakPolarHBondContact CB-OG 3.34Å; A86-S230 PolarHBondContact O-N 3.11Å; A86-S231 CarbonylContact O-C 3.43Å; A86-S231 WeakPolarHBondContact O-CA 3.38Å; A86-S231 PolarHBondContact O-N 3.41Å
87	N	98.3	Very high	97.9	Very high	34 Å²	34	35 Å²	35	18%	0.182	18%	0.175	C	C	.	.	S	Bend	trans	-130.1	20.2	-167.4	70.9	-34.3	0	0	0	113.9	E89 K224 S231	N87-E89 PolarHBondContact O-N 3.1Å; N87-K224 WeakPolarHBondContact OD1-CB 3.32Å; N87-K224 PolarHBondContact OD1-N 2.03Å; N87-S231 VanDerWaalsContact CB-O 3.23Å; N87-S231 WeakPolarHBondContact CB-O 2.96Å
88	M	98.8	Very high	97.8	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.177	C	C	.	.			trans	-68.2	113.1	-175.5	-171.6	68.2	65.3	0	0	111.1	R78 V81 A85 V177 A179 Y223 L244 C245	R78-M88 HydrophobicContact CB-CG 3.82Å; R78-M88 HydrophobicContact CB-SD 3.92Å; R78-M88 HydrophobicContact CG-CG 4.47Å; R78-M88 HydrophobicContact CG-SD 3.97Å; R78-M88 PolarHBondContact NH2-SD 3.08Å; R78-M88 VanDerWaalsContact NH2-SD 3.39Å; V81-M88 HydrophobicContact CG1-CE 4.2Å; V81-M88 HydrophobicContact CG2-CE 4.06Å; A85-M88 HydrophobicContact CB-CB 3.85Å; A85-M88 HydrophobicContact CB-CE 3.73Å; M88-V177 HydrophobicContact CE-CB 4.3Å; M88-V177 WeakPolarHBondContact CE-O 3.1Å; M88-A179 HydrophobicContact SD-CB 4.43Å; M88-Y223 HydrophobicContact CE-CD1 3.57Å; M88-Y223 HydrophobicContact CE-CE1 4.23Å; M88-Y223 HydrophobicContact CE-CG 3.92Å; M88-L244 HydrophobicContact CB-CD2 3.96Å; M88-L244 HydrophobicContact CG-CD2 3.3Å; M88-L244 CarbonylContact O-C 3.55Å; M88-L244 WeakPolarHBondContact O-CA 3.23Å; M88-C245 PolarHBondContact O-N 3.32Å; M88-C245 PolarHBondContact O-SG 3.49Å; M88-C245 VanDerWaalsContact O-SG 3.42Å
89	E	98.3	Very high	97.7	Very high	21 Å²	21	41.1 Å²	41.1	10%	0.098	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-77.5	144.2	-179.7	-61.8	-176.6	-147	0	0	112.2	R78 N87 M91 A179 N182 P233 Y236	R78-E89 PolarHBondContact NE-O 3.41Å; R78-E89 VanDerWaalsContact NE-O 3.08Å; R78-E89 PolarHBondContact NH2-O 3.17Å; N87-E89 PolarHBondContact O-N 3.1Å; E89-M91 PolarHBondContact O-N 3.36Å; E89-A179 VanDerWaalsContact CB-O 3.23Å; E89-A179 WeakPolarHBondContact CB-O 3.4Å; E89-A179 WeakPolarHBondContact CG-O 3.33Å; E89-A179 PolarHBondContact N-O 3.29Å; E89-A179 VanDerWaalsContact N-O 3.07Å; E89-N182 HydrophobicContact CB-CB 3.89Å; E89-N182 WeakPolarHBondContact OE2-CB 3.48Å; E89-N182 PolarHBondContact OE2-ND2 2.95Å; E89-P233 HydrophobicContact CG-CG 4.44Å; E89-Y236 HydrophobicContact CB-CE2 4.43Å; E89-Y236 WeakPolarHBondContact CB-OH 3.12Å; E89-Y236 HydrophobicContact CG-CE2 3.8Å; E89-Y236 WeakPolarHBondContact OE2-CE2 3.43Å; E89-Y236 PolarHBondContact OE2-OH 3.12Å
90	Y	97.6	Very high	97.6	Very high	37 Å²	37	42 Å²	42	15%	0.145	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65.6	129.6	171	-174.7	-94.1	0	0	0	110	N75 V92 L244 C245 F246 W256	N75-Y90 HydrophobicContact CB-CE2 4.09Å; N75-Y90 WeakPolarHBondContact ND2-CE2 3.19Å; N75-Y90 VanDerWaalsContact ND2-CZ 3.27Å; Y90-V92 HydrophobicContact CD1-CG1 3.84Å; Y90-V92 HydrophobicContact CE1-CG1 4.05Å; Y90-L244 HydrophobicContact CD2-CB 4.39Å; Y90-L244 HydrophobicContact CD2-CD1 3.67Å; Y90-L244 HydrophobicContact CE2-CD1 4.32Å; Y90-C245 VanDerWaalsContact CB-O 3.26Å; Y90-C245 WeakPolarHBondContact CB-O 3.42Å; Y90-C245 PolarHBondContact N-O 3.45Å; Y90-F246 HydrophobicContact CD1-CD2 4.01Å; Y90-F246 AromaticContact CD1-CE2 3.78Å; Y90-F246 HydrophobicContact CD1-CE2 3.78Å; Y90-F246 AromaticContact CD2-CD2 3.42Å; Y90-F246 HydrophobicContact CD2-CD2 3.42Å; Y90-F246 VanDerWaalsContact CD2-CD2 3.42Å; Y90-F246 AromaticContact CD2-CE2 3.61Å; Y90-F246 HydrophobicContact CD2-CE2 3.61Å; Y90-F246 HydrophobicContact CE1-CD2 4.41Å; Y90-F246 AromaticContact CE1-CE2 3.76Å; Y90-F246 HydrophobicContact CE1-CE2 3.76Å; Y90-F246 AromaticContact CE2-CD2 3.88Å; Y90-F246 HydrophobicContact CE2-CD2 3.88Å; Y90-F246 AromaticContact CE2-CE2 3.59Å; Y90-F246 HydrophobicContact CE2-CE2 3.59Å; Y90-F246 AromaticContact CG-CD2 3.49Å; Y90-F246 HydrophobicContact CG-CD2 3.49Å; Y90-F246 VanDerWaalsContact CG-CD2 3.49Å; Y90-F246 AromaticContact CG-CE2 3.7Å; Y90-F246 HydrophobicContact CG-CE2 3.7Å; Y90-F246 AromaticContact CZ-CE2 3.67Å; Y90-W256 HydrophobicContact CE1-CH2 4.27Å; Y90-W256 HydrophobicContact CE1-CZ2 4.21Å
91	M	97.8	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-88.2	136.6	-179.2	-171	176.3	-78.3	0	0	110.6	L71 H74 N75 E89 S181 N182 I184 Y211	L71-M91 HydrophobicContact CD1-CB 4.37Å; L71-M91 HydrophobicContact CD1-CG 4.1Å; L71-M91 WeakPolarHBondContact CD1-O 3.41Å; H74-M91 HydrophobicContact CB-SD 3.76Å; N75-M91 PolarHBondContact ND2-O 2.99Å; N75-M91 VanDerWaalsContact OD1-CB 3.28Å; N75-M91 WeakPolarHBondContact OD1-CB 3.36Å; N75-M91 PolarHBondContact OD1-N 3.49Å; E89-M91 PolarHBondContact O-N 3.36Å; M91-S181 WeakPolarHBondContact CE-O 3.43Å; M91-N182 CarbonylContact C-O 3.52Å; M91-N182 VanDerWaalsContact CA-O 3.32Å; M91-N182 WeakPolarHBondContact CA-O 3.26Å; M91-I184 HydrophobicContact CG-CB 4.12Å; M91-I184 HydrophobicContact CG-CG2 3.77Å; M91-I184 HydrophobicContact SD-CB 3.6Å; M91-I184 HydrophobicContact SD-CD1 4.17Å; M91-I184 HydrophobicContact SD-CG1 4.44Å; M91-I184 HydrophobicContact SD-CG2 3.56Å; M91-I184 VanDerWaalsContact SD-CG2 3.56Å; M91-Y211 HydrophobicContact CE-CD1 3.87Å; M91-Y211 HydrophobicContact CE-CE1 4.04Å; M91-Y211 HydrophobicContact SD-CD1 4.5Å; M91-Y211 HydrophobicContact SD-CE1 4.38Å
92	V	96.9	Very high	97.6	Very high	27 Å²	27	35.7 Å²	35.7	16%	0.164	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156.9	177.5	-53.5	0	0	0	0	110.9	Y90 N182 R183 I184 W256	Y90-V92 HydrophobicContact CD1-CG1 3.84Å; Y90-V92 HydrophobicContact CE1-CG1 4.05Å; V92-N182 WeakPolarHBondContact CG2-O 3.26Å; V92-N182 PolarHBondContact N-O 3.5Å; V92-R183 HydrophobicContact CG2-CG 3.92Å; V92-R183 WeakPolarHBondContact O-CA 3.25Å; V92-I184 PolarHBondContact O-N 3.28Å; V92-W256 HydrophobicContact CB-CE3 4.1Å; V92-W256 HydrophobicContact CB-CH2 4.31Å; V92-W256 HydrophobicContact CB-CZ3 3.59Å; V92-W256 HydrophobicContact CG1-CE3 4.21Å; V92-W256 HydrophobicContact CG1-CH2 3.52Å; V92-W256 HydrophobicContact CG1-CZ3 3.27Å
93	W	97.4	Very high	97.6	Very high	15 Å²	15	31.2 Å²	31.2	6%	0.057	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	139.5	174.9	-170.4	-95.5	0	0	0	111.3	I62 M67 L71 E95 A98 I184 C186 F257	I62-W93 HydrophobicContact CD1-CH2 4.29Å; I62-W93 HydrophobicContact CG2-CH2 4.39Å; I62-W93 HydrophobicContact CG2-CZ2 4.23Å; M67-W93 HydrophobicContact CB-CD2 4.43Å; M67-W93 HydrophobicContact CB-CE3 4.3Å; M67-W93 HydrophobicContact CB-CH2 4.14Å; M67-W93 HydrophobicContact CB-CZ2 4.3Å; M67-W93 HydrophobicContact CB-CZ3 4.16Å; M67-W93 HydrophobicContact CE-CD2 4.12Å; M67-W93 HydrophobicContact CE-CG 4.23Å; M67-W93 HydrophobicContact CE-CZ2 3.93Å; M67-W93 HydrophobicContact CG-CH2 3.76Å; M67-W93 HydrophobicContact CG-CZ2 3.66Å; M67-W93 HydrophobicContact CG-CZ3 4.29Å; M67-W93 HydrophobicContact SD-CZ2 4.44Å; L71-W93 HydrophobicContact CD2-CB 4.27Å; W93-E95 VanDerWaalsContact CD1-OE1 3.28Å; W93-E95 PolarHBondContact NE1-OE1 3.01Å; W93-E95 VanDerWaalsContact NE1-OE1 3.12Å; W93-A98 HydrophobicContact CZ2-CB 3.62Å; W93-I184 CarbonylContact C-O 3.55Å; W93-I184 WeakPolarHBondContact CA-O 3.47Å; W93-I184 HydrophobicContact CE3-CG2 4.23Å; W93-C186 HydrophobicContact CH2-CB 3.81Å; W93-C186 HydrophobicContact CZ3-CB 4.27Å; W93-F257 HydrophobicContact CB-CE1 4.11Å; W93-F257 HydrophobicContact CG-CE1 4.25Å
94	D	97	Very high	97.6	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.123	18%	0.176	C	C	.	.			trans	-126.1	114.5	175.6	-169.8	-63.1	0	0	0	110.8	N96 L97 A98 R183 I184	D94-N96 VanDerWaalsContact C-N 3.28Å; D94-N96 PolarHBondContact O-N 2.79Å; D94-N96 WeakPolarHBondContact OD1-CA 3.49Å; D94-N96 WeakPolarHBondContact OD1-CB 3.49Å; D94-N96 PolarHBondContact OD1-N 3.42Å; D94-L97 HydrophobicContact CB-CB 4.13Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.89Å; D94-L97 PolarHBondContact O-N 3.21Å; D94-L97 PolarHBondContact OD1-N 2.98Å; D94-L97 VanDerWaalsContact OD1-N 3.09Å; D94-A98 PolarHBondContact O-N 2.88Å; D94-R183 HydrophobicContact CB-CB 4.04Å; D94-R183 HydrophobicContact CB-CG 4.38Å; D94-R183 IonicContact OD2-CZ 3.83Å; D94-R183 IonicContact OD2-NH1 2.79Å; D94-R183 PolarHBondContact OD2-NH1 2.97Å; D94-I184 PolarHBondContact N-O 3.09Å
95	E	95.4	Very high	97.6	Very high	50 Å²	50	30 Å²	30	23%	0.234	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-26.6	-177.3	-70.3	-63.8	155.1	0	0	113.2	M67 W93 A98 K99	M67-E95 VanDerWaalsContact CE-OE1 3.25Å; M67-E95 WeakPolarHBondContact CE-OE1 3.43Å; W93-E95 VanDerWaalsContact CD1-OE1 3.28Å; W93-E95 PolarHBondContact NE1-OE1 3.01Å; W93-E95 VanDerWaalsContact NE1-OE1 3.12Å; E95-A98 PolarHBondContact O-N 2.94Å; E95-K99 VanDerWaalsContact O-CG 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 3Å
96	N	95.8	Very high	97.5	Very high	111 Å²	111	32 Å²	32	59%	0.594	18%	0.176	S	C	*	.	H	α-helix	trans	-75.3	-38.7	177.2	-64.7	-37.1	0	0	0	110.7	D94 A98 K99 S100	D94-N96 VanDerWaalsContact C-N 3.28Å; D94-N96 PolarHBondContact O-N 2.79Å; D94-N96 WeakPolarHBondContact OD1-CA 3.49Å; D94-N96 WeakPolarHBondContact OD1-CB 3.49Å; D94-N96 PolarHBondContact OD1-N 3.42Å; N96-A98 VanDerWaalsContact C-N 3.31Å; N96-K99 PolarHBondContact O-N 3.34Å; N96-S100 PolarHBondContact O-N 3.07Å
97	L	97.9	Very high	97.5	Very high	20 Å²	20	34.7 Å²	34.7	11%	0.105	19%	0.192	C	C	.	.	H	α-helix	trans	-61.3	-41.5	170.6	-65.2	-176	0	0	0	111.3	D94 S100 A101 R183 N210 A212	D94-L97 HydrophobicContact CB-CB 4.13Å; D94-L97 HydrophobicContact CB-CD1 3.88Å; D94-L97 HydrophobicContact CB-CG 3.89Å; D94-L97 PolarHBondContact O-N 3.21Å; D94-L97 PolarHBondContact OD1-N 2.98Å; D94-L97 VanDerWaalsContact OD1-N 3.09Å; L97-S100 PolarHBondContact O-N 3Å; L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 2.78Å; L97-R183 HydrophobicContact CD1-CB 3.88Å; L97-N210 HydrophobicContact CB-CB 4.12Å; L97-N210 HydrophobicContact CD2-CB 4.21Å; L97-N210 PolarHBondContact O-ND2 3.36Å; L97-A212 HydrophobicContact CD1-CB 3.81Å; L97-A212 HydrophobicContact CD2-CB 4.18Å
98	A	97.9	Very high	97.4	Very high	8 Å²	8	34.4 Å²	34.4	7%	0.066	19%	0.193	C	C	.	.	H	α-helix	trans	-64.6	-43.2	178	0	0	0	0	0	112.3	W93 D94 E95 N96 S100 A101 E102	W93-A98 HydrophobicContact CZ2-CB 3.62Å; D94-A98 PolarHBondContact O-N 2.88Å; E95-A98 PolarHBondContact O-N 2.94Å; N96-A98 VanDerWaalsContact C-N 3.31Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.34Å; A98-A101 PolarHBondContact O-N 3.34Å; A98-E102 WeakPolarHBondContact O-CB 3.01Å; A98-E102 PolarHBondContact O-N 3.43Å
99	K	96.2	Very high	97.4	Very high	126 Å²	126	38.4 Å²	38.4	55%	0.548	21%	0.213	S	C	.	.	H	α-helix	trans	-61.4	-40.9	173.4	-73.3	167.7	-170.4	168.7	0	112.3	E95 N96 E102 A103	E95-K99 VanDerWaalsContact O-CG 3.24Å; E95-K99 WeakPolarHBondContact O-CG 3.49Å; E95-K99 PolarHBondContact O-N 3Å; N96-K99 PolarHBondContact O-N 3.34Å; K99-E102 WeakPolarHBondContact O-CB 3.45Å; K99-E102 PolarHBondContact O-N 2.98Å; K99-A103 PolarHBondContact O-N 3.04Å
100	S	96.9	Very high	97.4	Very high	26 Å²	26	40.3 Å²	40.3	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-40.8	175.6	176.8	0	0	0	0	111.6	N96 L97 A98 E102 A103 W104 L117 N210	N96-S100 PolarHBondContact O-N 3.07Å; L97-S100 PolarHBondContact O-N 3Å; A98-S100 VanDerWaalsContact C-N 3.34Å; A98-S100 PolarHBondContact O-N 3.34Å; S100-E102 VanDerWaalsContact C-N 3.34Å; S100-A103 PolarHBondContact O-N 3.02Å; S100-W104 PolarHBondContact O-N 3.31Å; S100-W104 VanDerWaalsContact O-N 3.11Å; S100-L117 WeakPolarHBondContact OG-CD1 3.25Å; S100-N210 PolarHBondContact OG-ND2 2.04Å
101	A	98.4	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-38.9	174.9	0	0	0	0	0	111.6	L97 A98 W104 A105 A187 V208 N210	L97-A101 WeakPolarHBondContact O-CB 3.42Å; L97-A101 PolarHBondContact O-N 2.78Å; A98-A101 PolarHBondContact O-N 3.34Å; A101-W104 PolarHBondContact O-N 2.03Å; A101-A105 VanDerWaalsContact O-CB 3.27Å; A101-A105 WeakPolarHBondContact O-CB 3.38Å; A101-A105 PolarHBondContact O-N 2.88Å; A101-A187 HydrophobicContact CB-CB 4.07Å; A101-V208 HydrophobicContact CB-CB 4.15Å; A101-V208 HydrophobicContact CB-CG1 3.92Å; A101-N210 PolarHBondContact N-ND2 3.48Å
102	E	97.6	Very high	97.4	Very high	23 Å²	23	47.1 Å²	47.1	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-48.5	175.1	176.8	-176.8	151	0	0	111.3	R58 Y61 A98 K99 S100 W104 A105 A106 A187	R58-E102 IonicContact CZ-OE1 3.94Å; R58-E102 IonicContact NE-OE1 3.65Å; R58-E102 PolarHBondContact NE-OE1 2.04Å; R58-E102 IonicContact NH2-OE1 2.93Å; R58-E102 PolarHBondContact NH2-OE1 3.41Å; Y61-E102 HydrophobicContact CD2-CG 3.39Å; Y61-E102 WeakPolarHBondContact CD2-OE1 3.47Å; Y61-E102 HydrophobicContact CE2-CG 3.87Å; Y61-E102 WeakPolarHBondContact CE2-OE1 3.45Å; Y61-E102 HydrophobicContact CG-CG 3.73Å; A98-E102 WeakPolarHBondContact O-CB 3.01Å; A98-E102 PolarHBondContact O-N 3.43Å; K99-E102 WeakPolarHBondContact O-CB 3.45Å; K99-E102 PolarHBondContact O-N 2.98Å; S100-E102 VanDerWaalsContact C-N 3.34Å; E102-W104 VanDerWaalsContact C-N 3.28Å; E102-W104 PolarHBondContact O-N 3.12Å; E102-A105 PolarHBondContact O-N 2.99Å; E102-A106 WeakPolarHBondContact O-CB 3.04Å; E102-A106 PolarHBondContact O-N 3.21Å; E102-A106 VanDerWaalsContact O-N 3.09Å; E102-A187 HydrophobicContact CB-CB 3.74Å
103	A	97.2	Very high	97.4	Very high	65 Å²	65	45.9 Å²	45.9	54%	0.537	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-40.3	177.7	0	0	0	0	0	111.8	K99 S100	K99-A103 PolarHBondContact O-N 3.04Å; S100-A103 PolarHBondContact O-N 3.02Å
104	W	98.3	Very high	97.4	Very high	36 Å²	36	46.3 Å²	46.3	14%	0.136	25%	0.253	C	S	.	.	H	α-helix	trans	-72.5	-44.2	177.6	-168.3	-114.3	0	0	0	112.8	S100 A101 E102 A106 T107 D111 H112 G113 P114 V208	S100-W104 PolarHBondContact O-N 3.31Å; S100-W104 VanDerWaalsContact O-N 3.11Å; A101-W104 PolarHBondContact O-N 2.03Å; E102-W104 VanDerWaalsContact C-N 3.28Å; E102-W104 PolarHBondContact O-N 3.12Å; W104-A106 PolarHBondContact O-N 2.87Å; W104-T107 HydrophobicContact CE3-CG2 4.16Å; W104-T107 HydrophobicContact CZ3-CG2 4.47Å; W104-T107 WeakPolarHBondContact O-CB 3.46Å; W104-T107 WeakPolarHBondContact O-CG2 3.41Å; W104-T107 PolarHBondContact O-N 2.84Å; W104-T107 PolarHBondContact O-OG1 2.92Å; W104-D111 WeakPolarHBondContact CZ2-O 3.31Å; W104-D111 PolarHBondContact NE1-O 2.97Å; W104-H112 VanDerWaalsContact CZ2-C 3.46Å; W104-H112 WeakPolarHBondContact CZ2-O 3.23Å; W104-G113 VanDerWaalsContact CE2-CA 3.42Å; W104-G113 VanDerWaalsContact CE2-N 3.29Å; W104-G113 VanDerWaalsContact CE3-C 3.49Å; W104-G113 VanDerWaalsContact CZ2-N 3.35Å; W104-P114 HydrophobicContact CE3-CB 4.12Å; W104-P114 HydrophobicContact CZ3-CB 3.95Å; W104-V208 HydrophobicContact CB-CG1 4.43Å
105	A	98.1	Very high	97.4	Very high	1 Å²	1	50 Å²	50	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-34.4	-179.8	0	0	0	0	0	112.1	A101 E102 T107 C108 A187 H189 Y206 V208	A101-A105 VanDerWaalsContact O-CB 3.27Å; A101-A105 WeakPolarHBondContact O-CB 3.38Å; A101-A105 PolarHBondContact O-N 2.88Å; E102-A105 PolarHBondContact O-N 2.99Å; A105-T107 PolarHBondContact O-N 3.39Å; A105-C108 PolarHBondContact O-N 2.81Å; A105-A187 HydrophobicContact CB-CB 4.46Å; A105-H189 HydrophobicContact CB-CB 3.76Å; A105-Y206 HydrophobicContact CB-CD1 4.36Å; A105-V208 HydrophobicContact CB-CB 4.28Å; A105-V208 HydrophobicContact CB-CG2 3.68Å
106	A	97.2	Very high	97.4	Very high	48 Å²	48	54.6 Å²	54.6	40%	0.397	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.6	176.6	0	0	0	0	0	114.1	E102 W104 C108	E102-A106 WeakPolarHBondContact O-CB 3.04Å; E102-A106 PolarHBondContact O-N 3.21Å; E102-A106 VanDerWaalsContact O-N 3.09Å; W104-A106 PolarHBondContact O-N 2.87Å; A106-C108 VanDerWaalsContact C-N 3.28Å; A106-C108 PolarHBondContact O-N 3.31Å
107	T	97.8	Very high	97.4	Very high	56 Å²	56	51.2 Å²	51.2	34%	0.344	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.7	177.6	69.1	0	0	0	0	112.9	W104 A105 I109	W104-T107 HydrophobicContact CE3-CG2 4.16Å; W104-T107 HydrophobicContact CZ3-CG2 4.47Å; W104-T107 WeakPolarHBondContact O-CB 3.46Å; W104-T107 WeakPolarHBondContact O-CG2 3.41Å; W104-T107 PolarHBondContact O-N 2.84Å; W104-T107 PolarHBondContact O-OG1 2.92Å; A105-T107 PolarHBondContact O-N 3.39Å; T107-I109 PolarHBondContact O-N 2.72Å; T107-I109 PolarHBondContact OG1-N 3.09Å
108	C	97.4	Very high	97.3	Very high	29 Å²	29	52.1 Å²	52.1	20%	0.196	28%	0.283	C	S	.	.			trans	55	33.7	-175.1	-66.8	0	0	0	0	114.3	A105 A106 H189 C191 M194	A105-C108 PolarHBondContact O-N 2.81Å; A106-C108 VanDerWaalsContact C-N 3.28Å; A106-C108 PolarHBondContact O-N 3.31Å; C108-H189 VanDerWaalsContact SG-CD2 3.53Å; C108-C191 WeakPolarHBondContact CA-SG 3.35Å; C108-C191 HydrophobicContact CB-CB 3.68Å; C108-C191 WeakPolarHBondContact CB-SG 3.26Å; C108-C191 WeakPolarHBondContact SG-CA 3.33Å; C108-C191 WeakPolarHBondContact SG-CB 3.32Å; C108-C191 CovalentContact SG-SG 2.04Å; C108-C191 PolarHBondContact SG-SG 2.68Å; C108-M194 WeakPolarHBondContact O-CG 3.44Å
109	I	97.8	Very high	97.1	Very high	84 Å²	84	59.5 Å²	59.5	43%	0.431	31%	0.309	S	S	.	.			trans	-100.7	123.1	174.1	-60.4	171.5	0	0	0	108.6	T107 D111 Y206	T107-I109 PolarHBondContact O-N 2.72Å; T107-I109 PolarHBondContact OG1-N 3.09Å; I109-D111 HydrophobicContact CG2-CB 3.82Å; I109-D111 PolarHBondContact O-N 3.37Å; I109-Y206 PolarHBondContact O-OH 3.24Å
110	W	98	Very high	97.1	Very high	62 Å²	62	59.6 Å²	59.6	24%	0.235	31%	0.31	C	S	.	.	S	Bend	trans	-80.9	67.1	173.9	-173.9	-117.5	0	0	0	110.4	L125 V127 M194 N195 V196 W197 Y206	W110-L125 HydrophobicContact CH2-CB 3.84Å; W110-L125 HydrophobicContact CZ3-CB 3.66Å; W110-V127 HydrophobicContact CD2-CG1 3.96Å; W110-V127 HydrophobicContact CE3-CB 3.8Å; W110-V127 HydrophobicContact CE3-CG1 3.68Å; W110-V127 HydrophobicContact CH2-CB 4.12Å; W110-V127 HydrophobicContact CH2-CG1 3.63Å; W110-V127 HydrophobicContact CZ2-CG1 3.89Å; W110-V127 HydrophobicContact CZ3-CB 3.56Å; W110-V127 HydrophobicContact CZ3-CG1 3.51Å; W110-M194 HydrophobicContact CB-CE 3.71Å; W110-M194 HydrophobicContact CD2-CE 4.5Å; W110-M194 HydrophobicContact CE3-CE 3.92Å; W110-M194 HydrophobicContact CG-CE 4.47Å; W110-N195 VanDerWaalsContact CB-O 3.27Å; W110-N195 WeakPolarHBondContact CB-O 3.4Å; W110-V196 HydrophobicContact CB-CG2 4.31Å; W110-V196 HydrophobicContact CD2-CG1 4.21Å; W110-V196 HydrophobicContact CG-CB 4.42Å; W110-V196 HydrophobicContact CG-CG1 4.01Å; W110-V196 HydrophobicContact CG-CG2 4.31Å; W110-W197 HydrophobicContact CZ2-CH2 4.39Å; W110-W197 AromaticContact CZ2-CZ2 3.75Å; W110-W197 HydrophobicContact CZ2-CZ2 3.75Å; W110-W197 AromaticContact NE1-CD1 3.89Å; W110-W197 AromaticContact NE1-CE2 3.49Å; W110-W197 AromaticContact NE1-CZ2 3.84Å; W110-W197 AromaticContact NE1-NE1 3.33Å; W110-Y206 HydrophobicContact CE3-CD2 4.17Å; W110-Y206 AromaticContact CE3-CE2 3.72Å; W110-Y206 HydrophobicContact CE3-CE2 3.72Å; W110-Y206 HydrophobicContact CZ3-CD2 4.08Å; W110-Y206 AromaticContact CZ3-CE2 3.71Å; W110-Y206 HydrophobicContact CZ3-CE2 3.71Å
111	D	98.1	Very high	97.1	Very high	102 Å²	102	59 Å²	59	55%	0.545	30%	0.304	S	S	.	.	S	Bend	trans	-156	162.8	176.8	-156.2	-9.1	0	0	0	109.7	W104 I109 L125	W104-D111 WeakPolarHBondContact CZ2-O 3.31Å; W104-D111 PolarHBondContact NE1-O 2.97Å; I109-D111 HydrophobicContact CG2-CB 3.82Å; I109-D111 PolarHBondContact O-N 3.37Å; D111-L125 WeakPolarHBondContact O-CD1 3.32Å
112	H	98.3	Very high	97.1	Very high	78 Å²	78	59 Å²	59	36%	0.361	31%	0.305	S	S	.	.			trans	-72.7	141.8	175	-72.3	-65.5	0	0	0	111.8	W104 L118 Q123	W104-H112 VanDerWaalsContact CZ2-C 3.46Å; W104-H112 WeakPolarHBondContact CZ2-O 3.23Å; H112-L118 HydrophobicContact CB-CD1 3.65Å; H112-L118 HydrophobicContact CB-CD2 4.37Å; H112-Q123 VanDerWaalsContact CA-OE1 3.24Å; H112-Q123 PolarHBondContact CE1-O 3.25Å; H112-Q123 PolarHBondContact ND1-OE1 3.37Å
113	G	97.1	Very high	97.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.			trans	171.9	-174.4	171.9	0	0	0	0	0	116.4	W104 Q123	W104-G113 VanDerWaalsContact CE2-CA 3.42Å; W104-G113 VanDerWaalsContact CE2-N 3.29Å; W104-G113 VanDerWaalsContact CE3-C 3.49Å; W104-G113 VanDerWaalsContact CZ2-N 3.35Å; G113-Q123 PolarHBondContact O-NE2 3.11Å
114	P	96.9	Very high	97.2	Very high	24 Å²	24	55.6 Å²	55.6	16%	0.156	28%	0.278	C	S	.	.			cis	-71.7	146	-4.3	32.1	-36.5	0	0	0	111.7	W104 Y116 L117 L118	W104-P114 HydrophobicContact CE3-CB 4.12Å; W104-P114 HydrophobicContact CZ3-CB 3.95Å; P114-Y116 VanDerWaalsContact C-N 3.26Å; P114-Y116 HydrophobicContact CB-CD1 3.78Å; P114-Y116 HydrophobicContact CB-CE1 3.35Å; P114-Y116 HydrophobicContact CG-CD1 4.12Å; P114-Y116 HydrophobicContact CG-CE1 3.46Å; P114-Y116 VanDerWaalsContact CG-CE1 3.46Å; P114-Y116 HydrophobicContact CG-CE2 4.43Å; P114-Y116 PolarHBondContact O-N 2.79Å; P114-Y116 VanDerWaalsContact O-N 3.1Å; P114-L117 HydrophobicContact CG-CB 4.34Å; P114-L117 HydrophobicContact CG-CD1 3.71Å; P114-L117 HydrophobicContact CG-CG 3.96Å; P114-L117 PolarHBondContact O-N 3.42Å; P114-L118 PolarHBondContact O-N 2.63Å
115	S	96.9	Very high	97.2	Very high	100 Å²	100	54.3 Å²	54.3	70%	0.699	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.9	-169.4	57.6	0	0	0	0	114.5	L117 L118	S115-L117 PolarHBondContact O-N 3.46Å; S115-L118 PolarHBondContact O-N 2.81Å
116	Y	96	Very high	97.3	Very high	147 Å²	147	54.9 Å²	54.9	58%	0.576	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.8	180	68.1	-92	0	0	0	114.2	P114 R119	P114-Y116 VanDerWaalsContact C-N 3.26Å; P114-Y116 HydrophobicContact CB-CD1 3.78Å; P114-Y116 HydrophobicContact CB-CE1 3.35Å; P114-Y116 HydrophobicContact CG-CD1 4.12Å; P114-Y116 HydrophobicContact CG-CE1 3.46Å; P114-Y116 VanDerWaalsContact CG-CE1 3.46Å; P114-Y116 HydrophobicContact CG-CE2 4.43Å; P114-Y116 PolarHBondContact O-N 2.79Å; P114-Y116 VanDerWaalsContact O-N 3.1Å; Y116-R119 PolarHBondContact O-NE 3.2Å; Y116-R119 VanDerWaalsContact O-NE 3.08Å
117	L	95.9	Very high	97.3	Very high	41 Å²	41	53.4 Å²	53.4	22%	0.215	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-28.6	175.3	-65.6	-177.8	0	0	0	112.7	S100 P114 S115 R119 F120 L121	S100-L117 WeakPolarHBondContact OG-CD1 3.25Å; P114-L117 HydrophobicContact CG-CB 4.34Å; P114-L117 HydrophobicContact CG-CD1 3.71Å; P114-L117 HydrophobicContact CG-CG 3.96Å; P114-L117 PolarHBondContact O-N 3.42Å; S115-L117 PolarHBondContact O-N 3.46Å; L117-R119 PolarHBondContact O-N 3.19Å; L117-F120 PolarHBondContact O-N 3.27Å; L117-L121 HydrophobicContact CB-CD2 3.72Å; L117-L121 HydrophobicContact CB-CG 4.18Å; L117-L121 HydrophobicContact CD1-CD2 4.26Å; L117-L121 WeakPolarHBondContact O-CG 3.25Å; L117-L121 PolarHBondContact O-N 2.84Å; L117-L121 VanDerWaalsContact O-N 3.14Å
118	L	95.6	Very high	97.1	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.204	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.1	-174.4	-62.3	-178.5	0	0	0	114.4	H112 P114 S115 F120 L121 Q123 K214	H112-L118 HydrophobicContact CB-CD1 3.65Å; H112-L118 HydrophobicContact CB-CD2 4.37Å; P114-L118 PolarHBondContact O-N 2.63Å; S115-L118 PolarHBondContact O-N 2.81Å; L118-F120 VanDerWaalsContact C-N 3.29Å; L118-L121 HydrophobicContact CD2-CD1 3.96Å; L118-Q123 HydrophobicContact CD2-CB 4.22Å; L118-K214 WeakPolarHBondContact O-CE 3.45Å; L118-K214 PolarHBondContact O-NZ 3.36Å
119	R	94.4	Very high	96.8	Very high	162 Å²	162	55.9 Å²	55.9	61%	0.611	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.5	169.9	64.7	-177.7	169.2	167.8	9.1	113.6	Y116 L117	Y116-R119 PolarHBondContact O-NE 3.2Å; Y116-R119 VanDerWaalsContact O-NE 3.08Å; L117-R119 PolarHBondContact O-N 3.19Å
120	F	94.8	Very high	96.2	Very high	128 Å²	128	54.1 Å²	54.1	56%	0.561	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	-26.1	-175	-54.9	-56.4	0	0	0	113.7	L117 L118 K214	L117-F120 PolarHBondContact O-N 3.27Å; L118-F120 VanDerWaalsContact C-N 3.29Å; F120-K214 WeakPolarHBondContact O-CB 3.49Å; F120-K214 PolarHBondContact O-N 3.04Å
121	L	97	Very high	95.5	Very high	13 Å²	13	62.1 Å²	62.1	7%	0.068	30%	0.303	C	S	.	.			trans	-117.2	152.7	-179.6	64.7	83	0	0	0	112.6	L117 L118 Q123 N210 Y211 K214	L117-L121 HydrophobicContact CB-CD2 3.72Å; L117-L121 HydrophobicContact CB-CG 4.18Å; L117-L121 HydrophobicContact CD1-CD2 4.26Å; L117-L121 WeakPolarHBondContact O-CG 3.25Å; L117-L121 PolarHBondContact O-N 2.84Å; L117-L121 VanDerWaalsContact O-N 3.14Å; L118-L121 HydrophobicContact CD2-CD1 3.96Å; L121-Q123 HydrophobicContact CD1-CB 4.15Å; L121-N210 HydrophobicContact CD1-CB 4.3Å; L121-N210 HydrophobicContact CD2-CB 4.48Å; L121-Y211 WeakPolarHBondContact CA-O 3.49Å; L121-Y211 WeakPolarHBondContact CB-O 3.42Å; L121-K214 PolarHBondContact O-NZ 2.65Å
122	G	98.5	Very high	95	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.01	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	156.1	163	0	0	0	0	0	110.2	Q175 N210 Y211	G122-Q175 VanDerWaalsContact CA-OE1 3.32Å; G122-N210 CarbonylContact O-C 3.43Å; G122-N210 WeakPolarHBondContact O-CA 3.05Å; G122-Y211 PolarHBondContact N-O 3.2Å; G122-Y211 PolarHBondContact O-N 3.06Å
123	Q	98.8	Very high	94.7	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	-147.1	127.7	177.7	-175.7	174	85.1	0	0	111	H112 G113 L118 L121 L125 V208 C209 N210	H112-Q123 VanDerWaalsContact CA-OE1 3.24Å; H112-Q123 PolarHBondContact CE1-O 3.25Å; H112-Q123 PolarHBondContact ND1-OE1 3.37Å; G113-Q123 PolarHBondContact O-NE2 3.11Å; L118-Q123 HydrophobicContact CD2-CB 4.22Å; L121-Q123 HydrophobicContact CD1-CB 4.15Å; Q123-L125 HydrophobicContact CG-CD2 3.76Å; Q123-L125 HydrophobicContact CG-CG 4.36Å; Q123-V208 HydrophobicContact CG-CG1 4.1Å; Q123-C209 CarbonylContact C-O 3.6Å; Q123-C209 VanDerWaalsContact CA-O 3.25Å; Q123-C209 WeakPolarHBondContact CA-O 3.33Å; Q123-N210 WeakPolarHBondContact CG-OD1 3.33Å; Q123-N210 PolarHBondContact NE2-OD1 3.04Å
124	N	98.9	Very high	94.6	Very high	2 Å²	2	70.7 Å²	70.7	1%	0.011	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.9	167.4	-73.9	-3.4	0	0	0	109.9	W142 H172 C209 Y211	N124-W142 HydrophobicContact CB-CD2 3.98Å; N124-W142 HydrophobicContact CB-CE3 4.09Å; N124-W142 HydrophobicContact CB-CH2 3.84Å; N124-W142 HydrophobicContact CB-CZ2 3.69Å; N124-W142 HydrophobicContact CB-CZ3 4.03Å; N124-H172 PolarHBondContact ND2-O 3.1Å; N124-C209 PolarHBondContact N-O 2.96Å; N124-C209 PolarHBondContact O-N 3.26Å; N124-Y211 HydrophobicContact CB-CE2 3.82Å; N124-Y211 PolarHBondContact ND2-OH 3.22Å
125	L	98.8	Very high	94.6	Very high	9 Å²	9	69.6 Å²	69.6	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.6	-178.6	-57.8	-176.4	0	0	0	109.3	W110 D111 Q123 W142 Y206 L207 V208	W110-L125 HydrophobicContact CH2-CB 3.84Å; W110-L125 HydrophobicContact CZ3-CB 3.66Å; D111-L125 WeakPolarHBondContact O-CD1 3.32Å; Q123-L125 HydrophobicContact CG-CD2 3.76Å; Q123-L125 HydrophobicContact CG-CG 4.36Å; L125-W142 PolarHBondContact O-NE1 2.66Å; L125-Y206 HydrophobicContact CB-CE2 4.18Å; L125-Y206 HydrophobicContact CD2-CE2 4Å; L125-Y206 WeakPolarHBondContact CD2-OH 3.46Å; L125-Y206 HydrophobicContact CG-CE2 4.47Å; L125-L207 WeakPolarHBondContact CA-O 3.35Å; L125-V208 HydrophobicContact CD2-CB 4.2Å; L125-V208 HydrophobicContact CD2-CG1 3.91Å; L125-V208 HydrophobicContact CD2-CG2 3.87Å
126	S	98.3	Very high	94.6	Very high	14 Å²	14	66.4 Å²	66.4	10%	0.098	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137.9	169.5	172.5	0	0	0	0	109.3	L138 Y206 L207	S126-L138 WeakPolarHBondContact CB-O 3.46Å; S126-L138 WeakPolarHBondContact OG-CA 3.45Å; S126-L138 WeakPolarHBondContact OG-CB 3.39Å; S126-L138 PolarHBondContact OG-O 2.88Å; S126-L138 VanDerWaalsContact OG-O 3.11Å; S126-Y206 WeakPolarHBondContact O-CA 3.46Å; S126-Y206 WeakPolarHBondContact O-CD2 3.35Å; S126-L207 PolarHBondContact N-O 3.28Å; S126-L207 PolarHBondContact O-N 3.08Å
127	V	97.4	Very high	94.7	Very high	17 Å²	17	63.6 Å²	63.6	10%	0.103	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	143.6	176.3	67.5	0	0	0	0	110.2	W110 M194 V196 W201 A204 V205 Y206	W110-V127 HydrophobicContact CD2-CG1 3.96Å; W110-V127 HydrophobicContact CE3-CB 3.8Å; W110-V127 HydrophobicContact CE3-CG1 3.68Å; W110-V127 HydrophobicContact CH2-CB 4.12Å; W110-V127 HydrophobicContact CH2-CG1 3.63Å; W110-V127 HydrophobicContact CZ2-CG1 3.89Å; W110-V127 HydrophobicContact CZ3-CB 3.56Å; W110-V127 HydrophobicContact CZ3-CG1 3.51Å; V127-M194 HydrophobicContact CG2-SD 4.02Å; V127-V196 HydrophobicContact CG1-CG1 3.69Å; V127-V196 HydrophobicContact CG1-CG2 4.21Å; V127-V196 HydrophobicContact CG2-CG2 4.07Å; V127-W201 HydrophobicContact CG1-CE3 4.42Å; V127-W201 HydrophobicContact CG1-CZ3 3.99Å; V127-W201 HydrophobicContact CG2-CE3 4.08Å; V127-W201 HydrophobicContact CG2-CZ3 4.28Å; V127-A204 HydrophobicContact CG2-CB 3.93Å; V127-V205 VanDerWaalsContact CA-O 3.32Å; V127-V205 WeakPolarHBondContact CA-O 3.44Å; V127-Y206 HydrophobicContact CB-CD2 4.49Å
128	R	94.9	Very high	94.8	Very high	65 Å²	65	61.6 Å²	61.6	25%	0.245	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.9	173	63.9	171.6	-67.3	-173.8	0.1	111.6	R131 L138 A204 V205	R128-R131 PolarHBondContact NH2-O 3.41Å; R128-L138 HydrophobicContact CG-CD1 4.47Å; R128-L138 HydrophobicContact CG-CD2 4.17Å; R128-L138 HydrophobicContact CG-CG 4.25Å; R128-A204 CarbonylContact O-C 3.6Å; R128-A204 WeakPolarHBondContact O-CA 3.5Å; R128-V205 HydrophobicContact CG-CB 3.96Å; R128-V205 PolarHBondContact N-O 2.85Å; R128-V205 PolarHBondContact O-N 3.37Å
129	T	90.9	Very high	94.9	Very high	72 Å²	72	59.8 Å²	59.8	44%	0.442	27%	0.273	S	S	.	.			trans	-93.4	162.7	166	57.5	0	0	0	0	111.4	W201	T129-W201 HydrophobicContact CG2-CB 4.03Å; T129-W201 HydrophobicContact CG2-CD2 3.71Å; T129-W201 HydrophobicContact CG2-CE3 3.48Å; T129-W201 VanDerWaalsContact CG2-CE3 3.48Å; T129-W201 HydrophobicContact CG2-CG 3.99Å; T129-W201 HydrophobicContact CG2-CZ3 4.16Å
130	G	83.8	Confident	95.1	Very high	47 Å²	47	56.8 Å²	56.8	49%	0.485	26%	0.264	S	S	.	.	S	Bend	trans	75.4	-176.1	175.6	0	0	0	0	0	114.1
131	R	84.4	Confident	95.3	Very high	230 Å²	230	53.7 Å²	53.7	87%	0.868	26%	0.257	S	S	*	.			trans	-77.4	141.2	179.3	-62.6	-177.6	-178.1	179.8	0.4	110.2	R128	R128-R131 PolarHBondContact NH2-O 3.41Å
132	Y	87.8	Confident	95.4	Very high	73 Å²	73	53.3 Å²	53.3	29%	0.286	26%	0.255	S	S	.	.			trans	-103.9	149.6	167.4	70.8	-84.2	0	0	0	110.2	L138 I188 V205	Y132-L138 HydrophobicContact CD2-CD1 4.4Å; Y132-L138 HydrophobicContact CG-CD1 4.18Å; Y132-I188 HydrophobicContact CD1-CD1 4.47Å; Y132-I188 HydrophobicContact CE1-CD1 3.67Å; Y132-I188 HydrophobicContact CE2-CD1 4.27Å; Y132-I188 WeakPolarHBondContact OH-CD1 3.17Å; Y132-V205 HydrophobicContact CD1-CB 4.49Å; Y132-V205 HydrophobicContact CD1-CG1 3.78Å; Y132-V205 HydrophobicContact CD1-CG2 4.16Å; Y132-V205 HydrophobicContact CE1-CG1 3.79Å; Y132-V205 HydrophobicContact CE1-CG2 4.48Å
133	R	90.8	Very high	95.4	Very high	239 Å²	239	56.7 Å²	56.7	90%	0.902	27%	0.267	S	S	*	.	S	Bend	trans	-98.9	-24.3	176.6	-66.7	-175.2	-178.6	174.4	0.2	112.8	Q137	R133-Q137 VanDerWaalsContact N-OE1 3.12Å
134	S	95.3	Very high	95.4	Very high	48 Å²	48	59.1 Å²	59.1	34%	0.336	28%	0.281	S	S	.	.			trans	-149.2	139.2	-179.4	170.1	0	0	0	0	108.7	L136 Q137	S134-L136 PolarHBondContact O-N 3.42Å; S134-L136 VanDerWaalsContact O-N 3.16Å; S134-L136 PolarHBondContact OG-N 3.38Å; S134-Q137 WeakPolarHBondContact O-CB 3.41Å; S134-Q137 WeakPolarHBondContact O-CG 3.28Å; S134-Q137 PolarHBondContact O-N 2.97Å
135	I	96.9	Very high	95.4	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.4	176.2	-167	62	0	0	0	112.3	D66 A69 I70 Q137 L138 I188 L207	D66-I135 HydrophobicContact CB-CB 3.96Å; D66-I135 HydrophobicContact CB-CG1 4.14Å; D66-I135 HydrophobicContact CB-CG2 3.84Å; D66-I135 WeakPolarHBondContact OD1-CB 3.2Å; D66-I135 WeakPolarHBondContact OD1-CG2 3.23Å; A69-I135 HydrophobicContact CB-CG2 3.94Å; I70-I135 HydrophobicContact CD1-CG1 3.8Å; I70-I135 HydrophobicContact CG1-CG1 3.94Å; I70-I135 HydrophobicContact CG1-CG2 4.09Å; I135-Q137 PolarHBondContact O-N 3.48Å; I135-Q137 VanDerWaalsContact O-N 3.08Å; I135-L138 HydrophobicContact CD1-CD1 4.38Å; I135-L138 PolarHBondContact O-N 2.98Å; I135-I188 HydrophobicContact CD1-CB 4.47Å; I135-I188 HydrophobicContact CD1-CD1 3.43Å; I135-I188 VanDerWaalsContact CD1-CD1 3.43Å; I135-L207 HydrophobicContact CD1-CD1 4.25Å; I135-L207 HydrophobicContact CD1-CD2 4.29Å
136	L	97.9	Very high	95.4	Very high	34 Å²	34	61.5 Å²	61.5	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-18.6	178.4	-63.5	-175.5	0	0	0	113.3	A69 Y73 S134 L138 V139 K140	A69-L136 HydrophobicContact CB-CD2 4.42Å; A69-L136 HydrophobicContact CB-CG 4.47Å; Y73-L136 HydrophobicContact CD1-CD2 4.24Å; Y73-L136 HydrophobicContact CD2-CD2 4.46Å; Y73-L136 HydrophobicContact CG-CD2 3.86Å; S134-L136 PolarHBondContact O-N 3.42Å; S134-L136 VanDerWaalsContact O-N 3.16Å; S134-L136 PolarHBondContact OG-N 3.38Å; L136-L138 PolarHBondContact O-N 3.39Å; L136-V139 HydrophobicContact CD2-CB 4.46Å; L136-V139 PolarHBondContact O-N 2.97Å; L136-V139 VanDerWaalsContact O-N 3.16Å; L136-K140 HydrophobicContact CB-CD 4.42Å; L136-K140 HydrophobicContact CB-CG 4.34Å; L136-K140 WeakPolarHBondContact O-CB 3.39Å; L136-K140 VanDerWaalsContact O-CG 3.29Å; L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 2.85Å
137	Q	97.6	Very high	95.4	Very high	87 Å²	87	68 Å²	68	41%	0.407	32%	0.321	S	S	.	.	H	α-helix	trans	-64.6	-20.3	171.6	-65.8	-178.5	-26.6	0	0	112.8	R133 S134 I135	R133-Q137 VanDerWaalsContact N-OE1 3.12Å; S134-Q137 WeakPolarHBondContact O-CB 3.41Å; S134-Q137 WeakPolarHBondContact O-CG 3.28Å; S134-Q137 PolarHBondContact O-N 2.97Å; I135-Q137 PolarHBondContact O-N 3.48Å; I135-Q137 VanDerWaalsContact O-N 3.08Å
138	L	98	Very high	95.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-95.8	-15.4	174.1	-69.9	96.8	0	0	0	112.9	S126 R128 Y132 I135 L136 I188 V205 L207	S126-L138 WeakPolarHBondContact CB-O 3.46Å; S126-L138 WeakPolarHBondContact OG-CA 3.45Å; S126-L138 WeakPolarHBondContact OG-CB 3.39Å; S126-L138 PolarHBondContact OG-O 2.88Å; S126-L138 VanDerWaalsContact OG-O 3.11Å; R128-L138 HydrophobicContact CG-CD1 4.47Å; R128-L138 HydrophobicContact CG-CD2 4.17Å; R128-L138 HydrophobicContact CG-CG 4.25Å; Y132-L138 HydrophobicContact CD2-CD1 4.4Å; Y132-L138 HydrophobicContact CG-CD1 4.18Å; I135-L138 HydrophobicContact CD1-CD1 4.38Å; I135-L138 PolarHBondContact O-N 2.98Å; L136-L138 PolarHBondContact O-N 3.39Å; L138-I188 HydrophobicContact CD1-CD1 4.5Å; L138-V205 HydrophobicContact CD1-CG1 4.47Å; L138-V205 HydrophobicContact CD2-CG1 4.02Å; L138-L207 HydrophobicContact CB-CB 4.24Å; L138-L207 HydrophobicContact CB-CD2 3.67Å; L138-L207 HydrophobicContact CD2-CB 3.66Å
139	V	98.6	Very high	95.6	Very high	0 Å²	0	68 Å²	68	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-103.1	-39.2	-174.8	-175.4	0	0	0	0	112.2	I70 Y73 L136 P141 W142 M176 L207	I70-V139 HydrophobicContact CG1-CG2 4.13Å; Y73-V139 HydrophobicContact CD1-CB 4.4Å; Y73-V139 HydrophobicContact CD1-CG1 3.63Å; Y73-V139 HydrophobicContact CE1-CG1 4.04Å; L136-V139 HydrophobicContact CD2-CB 4.46Å; L136-V139 PolarHBondContact O-N 2.97Å; L136-V139 VanDerWaalsContact O-N 3.16Å; V139-P141 VanDerWaalsContact C-CD 3.42Å; V139-P141 VanDerWaalsContact C-N 3.33Å; V139-W142 HydrophobicContact CB-CE3 4.27Å; V139-W142 HydrophobicContact CB-CZ3 4.38Å; V139-W142 HydrophobicContact CG1-CE3 3.76Å; V139-W142 HydrophobicContact CG1-CZ3 4.01Å; V139-W142 HydrophobicContact CG2-CZ3 4.13Å; V139-W142 VanDerWaalsContact O-CB 3.3Å; V139-W142 WeakPolarHBondContact O-CB 3.35Å; V139-W142 PolarHBondContact O-N 3.12Å; V139-M176 HydrophobicContact CG1-CE 3.79Å; V139-L207 HydrophobicContact CG2-CD2 3.76Å
140	K	98.4	Very high	95.9	Very high	99 Å²	99	66.1 Å²	66.1	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-55.9	-38.6	179.9	-73.5	-177.8	171.5	-170	0	113.9	Y73 L136 W142 Y143 D144	Y73-K140 HydrophobicContact CE1-CG 4.03Å; Y73-K140 HydrophobicContact CE2-CG 4.15Å; L136-K140 HydrophobicContact CB-CD 4.42Å; L136-K140 HydrophobicContact CB-CG 4.34Å; L136-K140 WeakPolarHBondContact O-CB 3.39Å; L136-K140 VanDerWaalsContact O-CG 3.29Å; L136-K140 WeakPolarHBondContact O-CG 3.47Å; L136-K140 PolarHBondContact O-N 2.85Å; K140-W142 PolarHBondContact O-N 2.69Å; K140-Y143 WeakPolarHBondContact O-CB 3.02Å; K140-Y143 PolarHBondContact O-N 3.08Å; K140-D144 PolarHBondContact O-N 3.33Å
141	P	98.4	Very high	96.6	Very high	63 Å²	63	64.7 Å²	64.7	41%	0.409	30%	0.296	S	S	.	.	H	α-helix	trans	-58.2	-31.7	175.8	-27.2	37.1	0	0	0	113.9	V139 Y143 D144	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 3.02Å
142	W	98.8	Very high	97.2	Very high	6 Å²	6	53.9 Å²	53.9	2%	0.023	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-39.9	173.7	-60	-27.8	0	0	0	112	N124 L125 V139 K140 E145 H172 Y173 M176 L207 C209	N124-W142 HydrophobicContact CB-CD2 3.98Å; N124-W142 HydrophobicContact CB-CE3 4.09Å; N124-W142 HydrophobicContact CB-CH2 3.84Å; N124-W142 HydrophobicContact CB-CZ2 3.69Å; N124-W142 HydrophobicContact CB-CZ3 4.03Å; L125-W142 PolarHBondContact O-NE1 2.66Å; V139-W142 HydrophobicContact CB-CE3 4.27Å; V139-W142 HydrophobicContact CB-CZ3 4.38Å; V139-W142 HydrophobicContact CG1-CE3 3.76Å; V139-W142 HydrophobicContact CG1-CZ3 4.01Å; V139-W142 HydrophobicContact CG2-CZ3 4.13Å; V139-W142 VanDerWaalsContact O-CB 3.3Å; V139-W142 WeakPolarHBondContact O-CB 3.35Å; V139-W142 PolarHBondContact O-N 3.12Å; K140-W142 PolarHBondContact O-N 2.69Å; W142-E145 WeakPolarHBondContact O-CG 3.12Å; W142-H172 HydrophobicContact CB-CB 3.57Å; W142-H172 VanDerWaalsContact CD1-CB 3.44Å; W142-H172 AromaticContact CD1-CD2 3.9Å; W142-H172 AromaticContact CD1-CG 3.48Å; W142-H172 VanDerWaalsContact CD1-CG 3.48Å; W142-H172 AromaticContact CD1-ND1 3.86Å; W142-H172 HydrophobicContact CD2-CB 4.5Å; W142-H172 HydrophobicContact CG-CB 3.59Å; W142-H172 AromaticContact NE1-CD2 3.92Å; W142-H172 AromaticContact NE1-CG 3.98Å; W142-Y173 VanDerWaalsContact O-CA 3.26Å; W142-Y173 WeakPolarHBondContact O-CA 3.47Å; W142-Y173 VanDerWaalsContact O-CB 3.25Å; W142-Y173 WeakPolarHBondContact O-CB 3.46Å; W142-Y173 PolarHBondContact O-N 2.89Å; W142-M176 HydrophobicContact CB-CG 4.33Å; W142-M176 HydrophobicContact CB-SD 3.46Å; W142-M176 WeakPolarHBondContact CB-SD 3.32Å; W142-M176 HydrophobicContact CE3-SD 4.3Å; W142-L207 HydrophobicContact CH2-CD2 3.67Å; W142-L207 HydrophobicContact CH2-CG 4.06Å; W142-L207 HydrophobicContact CZ2-CD2 4.2Å; W142-L207 HydrophobicContact CZ2-CG 4.5Å; W142-L207 HydrophobicContact CZ3-CD2 4.39Å; W142-C209 HydrophobicContact CH2-CB 3.87Å; W142-C209 VanDerWaalsContact CH2-SG 3.59Å; W142-C209 HydrophobicContact CZ3-CB 4.14Å
143	Y	98.7	Very high	97.6	Very high	72 Å²	72	54.2 Å²	54.2	28%	0.282	26%	0.257	S	S	.	.	H	α-helix	trans	-71.1	-36.3	175.8	172.7	-104.3	0	0	0	111.9	Y73 V77 K140 P141 E145 V146 Y173	Y73-Y143 WeakPolarHBondContact OH-CB 3.4Å; Y73-Y143 WeakPolarHBondContact OH-CD1 3.02Å; V77-Y143 HydrophobicContact CB-CD2 3.72Å; V77-Y143 HydrophobicContact CB-CE2 3.9Å; V77-Y143 HydrophobicContact CG1-CD1 4.45Å; V77-Y143 HydrophobicContact CG1-CD2 3.49Å; V77-Y143 VanDerWaalsContact CG1-CD2 3.49Å; V77-Y143 HydrophobicContact CG1-CE2 3.82Å; V77-Y143 HydrophobicContact CG1-CG 3.84Å; V77-Y143 HydrophobicContact CG2-CD2 4.41Å; K140-Y143 WeakPolarHBondContact O-CB 3.02Å; K140-Y143 PolarHBondContact O-N 3.08Å; P141-Y143 VanDerWaalsContact C-N 3.35Å; Y143-E145 PolarHBondContact O-N 3.22Å; Y143-E145 VanDerWaalsContact O-N 3.08Å; Y143-V146 HydrophobicContact CE1-CG1 4.33Å; Y143-V146 HydrophobicContact CE2-CG1 4.32Å; Y143-V146 VanDerWaalsContact O-CB 3.3Å; Y143-V146 WeakPolarHBondContact O-CB 3.27Å; Y143-V146 WeakPolarHBondContact O-CG1 3.46Å; Y143-V146 PolarHBondContact O-N 3.07Å; Y143-Y173 HydrophobicContact CD2-CD2 4.05Å; Y143-Y173 HydrophobicContact CD2-CE2 4Å; Y143-Y173 HydrophobicContact CE2-CE2 4.1Å
144	D	98.5	Very high	97.8	Very high	64 Å²	64	47.1 Å²	47.1	34%	0.342	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-23.2	-178.3	-78.5	-45.7	0	0	0	113.3	K140 P141 V146 K147	K140-D144 PolarHBondContact O-N 3.33Å; P141-D144 PolarHBondContact O-N 3.02Å; D144-V146 PolarHBondContact O-N 2.77Å; D144-V146 VanDerWaalsContact O-N 3.11Å; D144-K147 WeakPolarHBondContact O-CB 3.45Å; D144-K147 WeakPolarHBondContact O-CD 3.48Å; D144-K147 VanDerWaalsContact O-CG 3.3Å; D144-K147 WeakPolarHBondContact O-CG 3.33Å; D144-K147 PolarHBondContact O-N 2.83Å; D144-K147 VanDerWaalsContact O-N 3.13Å; D144-K147 WeakPolarHBondContact OD1-CE 3.42Å; D144-K147 IonicContact OD1-NZ 2.73Å; D144-K147 PolarHBondContact OD1-NZ 3.21Å
145	E	98.8	Very high	97.8	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.093	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-60	-16.8	173.2	-52.3	179.6	162.8	0	0	113.4	W142 Y143 K147 D148 Y149 M169 C170 T171 H172 Y173	W142-E145 WeakPolarHBondContact O-CG 3.12Å; Y143-E145 PolarHBondContact O-N 3.22Å; Y143-E145 VanDerWaalsContact O-N 3.08Å; E145-K147 PolarHBondContact O-N 3.31Å; E145-K147 VanDerWaalsContact O-N 3.1Å; E145-D148 PolarHBondContact O-N 3.02Å; E145-Y149 PolarHBondContact O-N 3.01Å; E145-M169 WeakPolarHBondContact CB-O 3.33Å; E145-M169 VanDerWaalsContact CD-O 3.31Å; E145-M169 WeakPolarHBondContact CG-O 3.01Å; E145-M169 WeakPolarHBondContact OE1-CB 3.06Å; E145-M169 VanDerWaalsContact OE1-CG 3.26Å; E145-M169 WeakPolarHBondContact OE1-CG 3.35Å; E145-C170 WeakPolarHBondContact OE2-CA 3.48Å; E145-T171 PolarHBondContact OE2-N 2.82Å; E145-H172 IonicContact OE1-CE1 3.67Å; E145-H172 IonicContact OE1-CG 3.5Å; E145-H172 IonicContact OE1-ND1 3.31Å; E145-H172 PolarHBondContact OE1-ND1 2.97Å; E145-H172 WeakPolarHBondContact OE2-CA 3.25Å; E145-H172 VanDerWaalsContact OE2-CB 3.32Å; E145-H172 WeakPolarHBondContact OE2-CB 3.37Å; E145-H172 IonicContact OE2-CG 3.9Å; E145-H172 PolarHBondContact OE2-N 3.49Å; E145-H172 IonicContact OE2-ND1 3.68Å; E145-Y173 PolarHBondContact OE2-N 3.03Å
146	V	98.4	Very high	97.7	Very high	41 Å²	41	54.1 Å²	54.1	25%	0.248	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-53.9	-28.6	171.7	70.9	0	0	0	0	112.6	Y143 D144 D148 Y149 Y173	Y143-V146 HydrophobicContact CE1-CG1 4.33Å; Y143-V146 HydrophobicContact CE2-CG1 4.32Å; Y143-V146 VanDerWaalsContact O-CB 3.3Å; Y143-V146 WeakPolarHBondContact O-CB 3.27Å; Y143-V146 WeakPolarHBondContact O-CG1 3.46Å; Y143-V146 PolarHBondContact O-N 3.07Å; D144-V146 PolarHBondContact O-N 2.77Å; D144-V146 VanDerWaalsContact O-N 3.11Å; V146-D148 PolarHBondContact O-N 3.28Å; V146-Y149 PolarHBondContact O-N 3.12Å; V146-Y173 HydrophobicContact CB-CD1 4.3Å; V146-Y173 HydrophobicContact CB-CD2 3.81Å; V146-Y173 HydrophobicContact CB-CE1 4.17Å; V146-Y173 HydrophobicContact CB-CE2 3.66Å; V146-Y173 HydrophobicContact CB-CG 4.13Å; V146-Y173 HydrophobicContact CG2-CD1 4.48Å; V146-Y173 HydrophobicContact CG2-CD2 4.33Å; V146-Y173 HydrophobicContact CG2-CE1 3.87Å; V146-Y173 HydrophobicContact CG2-CE2 3.69Å; V146-Y173 VanDerWaalsContact CG2-CZ 3.41Å; V146-Y173 WeakPolarHBondContact CG2-OH 3.5Å
147	K	98.3	Very high	97.6	Very high	152 Å²	152	54.3 Å²	54.3	66%	0.661	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-64.4	-26.5	178.3	-63.3	167.3	-165.3	158.7	0	112.4	D144 E145	D144-K147 WeakPolarHBondContact O-CB 3.45Å; D144-K147 WeakPolarHBondContact O-CD 3.48Å; D144-K147 VanDerWaalsContact O-CG 3.3Å; D144-K147 WeakPolarHBondContact O-CG 3.33Å; D144-K147 PolarHBondContact O-N 2.83Å; D144-K147 VanDerWaalsContact O-N 3.13Å; D144-K147 WeakPolarHBondContact OD1-CE 3.42Å; D144-K147 IonicContact OD1-NZ 2.73Å; D144-K147 PolarHBondContact OD1-NZ 3.21Å; E145-K147 PolarHBondContact O-N 3.31Å; E145-K147 VanDerWaalsContact O-N 3.1Å
148	D	98.4	Very high	97.4	Very high	60 Å²	60	57.1 Å²	57.1	32%	0.321	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-106.4	-3	-176.2	-65.2	-38.9	0	0	0	112.4	E145 V146 C165 F166	E145-D148 PolarHBondContact O-N 3.02Å; V146-D148 PolarHBondContact O-N 3.28Å; D148-C165 CarbonylContact O-C 3.49Å; D148-C165 WeakPolarHBondContact O-CA 3.28Å; D148-F166 WeakPolarHBondContact O-CD2 3.37Å; D148-F166 PolarHBondContact O-N 2.86Å
149	Y	98.5	Very high	97.2	Very high	22 Å²	22	63.1 Å²	63.1	9%	0.086	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	128.5	-175.6	177.8	-102.9	0	0	0	111.8	E145 V146 F151 P152 M163 C170 Y173 T174 P222	E145-Y149 PolarHBondContact O-N 3.01Å; V146-Y149 PolarHBondContact O-N 3.12Å; Y149-F151 HydrophobicContact CE1-CB 4.09Å; Y149-F151 HydrophobicContact CE1-CD2 4.11Å; Y149-P152 WeakPolarHBondContact OH-CD 3.36Å; Y149-M163 HydrophobicContact CD2-SD 4.24Å; Y149-M163 HydrophobicContact CE2-CE 4.38Å; Y149-M163 HydrophobicContact CE2-SD 3.69Å; Y149-C170 HydrophobicContact CD2-CB 3.98Å; Y149-C170 HydrophobicContact CG-CB 4.49Å; Y149-Y173 AromaticContact CD1-CD1 3.83Å; Y149-Y173 HydrophobicContact CD1-CD1 3.83Å; Y149-Y173 AromaticContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CD1-CE1 3.47Å; Y149-Y173 VanDerWaalsContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CE1-CD1 4.43Å; Y149-Y173 AromaticContact CE1-CE1 3.94Å; Y149-Y173 HydrophobicContact CE1-CE1 3.94Å; Y149-Y173 AromaticContact CG-CD1 4Å; Y149-Y173 HydrophobicContact CG-CD1 4Å; Y149-Y173 HydrophobicContact CG-CE1 4.11Å; Y149-T174 HydrophobicContact CD2-CG2 3.88Å; Y149-T174 HydrophobicContact CE1-CG2 4.25Å; Y149-T174 HydrophobicContact CE2-CG2 3.45Å; Y149-T174 VanDerWaalsContact CE2-CG2 3.45Å; Y149-T174 HydrophobicContact CG-CG2 4.44Å; Y149-P222 WeakPolarHBondContact OH-CD 3.02Å; Y149-P222 VanDerWaalsContact OH-CG 3.32Å; Y149-P222 WeakPolarHBondContact OH-CG 3.01Å
150	A	98.1	Very high	97.1	Very high	32 Å²	32	71.3 Å²	71.3	26%	0.264	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.3	168.7	0	0	0	0	0	110.7	R164 F166	A150-R164 HydrophobicContact CB-CB 3.88Å; A150-R164 PolarHBondContact N-O 3.28Å; A150-F166 HydrophobicContact CB-CE2 3.86Å
151	F	98.2	Very high	97	Very high	17 Å²	17	67.6 Å²	67.6	8%	0.075	35%	0.348	C	S	.	.			trans	-65.9	130.4	-179.3	-170.9	-84.5	0	0	0	111.7	P83 Y149 Y153 A221 Y223 V225	P83-F151 HydrophobicContact CG-CB 4.19Å; P83-F151 HydrophobicContact CG-CD1 3.57Å; P83-F151 HydrophobicContact CG-CD2 4.26Å; P83-F151 HydrophobicContact CG-CE1 4.03Å; P83-F151 HydrophobicContact CG-CG 3.72Å; Y149-F151 HydrophobicContact CE1-CB 4.09Å; Y149-F151 HydrophobicContact CE1-CD2 4.11Å; F151-Y153 PolarHBondContact O-N 2.82Å; F151-A221 HydrophobicContact CZ-CB 4.06Å; F151-Y223 HydrophobicContact CD2-CE1 4.01Å; F151-Y223 AromaticContact CD2-CE2 3.85Å; F151-Y223 HydrophobicContact CD2-CE2 3.85Å; F151-Y223 AromaticContact CD2-CZ 3.5Å; F151-Y223 VanDerWaalsContact CD2-CZ 3.5Å; F151-Y223 WeakPolarHBondContact CD2-OH 3.21Å; F151-Y223 HydrophobicContact CE1-CE2 4.5Å; F151-Y223 AromaticContact CE2-CD1 3.94Å; F151-Y223 HydrophobicContact CE2-CD1 3.94Å; F151-Y223 AromaticContact CE2-CD2 3.58Å; F151-Y223 HydrophobicContact CE2-CD2 3.58Å; F151-Y223 AromaticContact CE2-CE1 3.59Å; F151-Y223 HydrophobicContact CE2-CE1 3.59Å; F151-Y223 AromaticContact CE2-CE2 3.19Å; F151-Y223 HydrophobicContact CE2-CE2 3.19Å; F151-Y223 AromaticContact CE2-CG 3.94Å; F151-Y223 HydrophobicContact CE2-CG 3.94Å; F151-Y223 AromaticContact CE2-CZ 3.2Å; F151-Y223 AromaticContact CZ-CD2 3.74Å; F151-Y223 HydrophobicContact CZ-CD2 3.74Å; F151-Y223 AromaticContact CZ-CE2 3.58Å; F151-Y223 HydrophobicContact CZ-CE2 3.58Å; F151-Y223 HydrophobicContact CZ-CG 4.34Å; F151-Y223 WeakPolarHBondContact CZ-O 3.48Å; F151-V225 HydrophobicContact CD1-CG2 3.97Å; F151-V225 HydrophobicContact CE1-CG2 3.2Å; F151-V225 HydrophobicContact CZ-CG2 3.73Å
152	P	96.9	Very high	97	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.013	34%	0.342	C	S	.	.			trans	-79.1	115.1	175.2	30.7	-32.1	0	0	0	110.3	Y149 C161 P162 A221	Y149-P152 WeakPolarHBondContact OH-CD 3.36Å; P152-C161 HydrophobicContact CB-CB 4.01Å; P152-C161 HydrophobicContact CG-CB 4.04Å; P152-P162 HydrophobicContact CB-CG 4.31Å; P152-A221 HydrophobicContact CG-CB 3.88Å
153	Y	96.1	Very high	96.8	Very high	81 Å²	81	70.9 Å²	70.9	32%	0.318	36%	0.363	S	S	.	.			trans	-78	160.5	177	-72.4	-91.4	0	0	0	111.1	P83 F151 Q155 D156 C157 V225	P83-Y153 HydrophobicContact CB-CE1 4.18Å; P83-Y153 HydrophobicContact CG-CE1 4.05Å; F151-Y153 PolarHBondContact O-N 2.82Å; Y153-Q155 VanDerWaalsContact CB-OE1 3.25Å; Y153-Q155 PolarHBondContact O-N 3.32Å; Y153-Q155 VanDerWaalsContact O-N 3.08Å; Y153-D156 PolarHBondContact N-OD2 3.41Å; Y153-D156 WeakPolarHBondContact O-CA 3.37Å; Y153-D156 WeakPolarHBondContact O-CB 3.32Å; Y153-D156 PolarHBondContact O-N 3.25Å; Y153-C157 PolarHBondContact O-SG 3.21Å; Y153-V225 HydrophobicContact CD1-CG2 4.33Å
154	P	94.6	Very high	96.8	Very high	89 Å²	89	72 Å²	72	58%	0.578	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-51.9	-36	-178.3	-29.8	36.7	0	0	0	114.5	D156 C157	P154-D156 VanDerWaalsContact C-N 3.26Å; P154-D156 PolarHBondContact O-N 2.86Å; P154-C157 PolarHBondContact O-N 3.3Å; P154-C157 VanDerWaalsContact O-N 3.16Å
155	Q	95.4	Very high	96.7	Very high	146 Å²	146	71.2 Å²	71.2	68%	0.682	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.7	176.7	66.4	-85.3	13.6	0	0	114.2	Y153 C157	Y153-Q155 VanDerWaalsContact CB-OE1 3.25Å; Y153-Q155 PolarHBondContact O-N 3.32Å; Y153-Q155 VanDerWaalsContact O-N 3.08Å; Q155-C157 VanDerWaalsContact C-N 3.33Å
156	D	94.9	Very high	96.7	Very high	50 Å²	50	78 Å²	78	27%	0.267	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-83.1	-13.7	175.9	-62.4	-63.5	0	0	0	111.9	Y153 P154 N158 P162 R164	Y153-D156 PolarHBondContact N-OD2 3.41Å; Y153-D156 WeakPolarHBondContact O-CA 3.37Å; Y153-D156 WeakPolarHBondContact O-CB 3.32Å; Y153-D156 PolarHBondContact O-N 3.25Å; P154-D156 VanDerWaalsContact C-N 3.26Å; P154-D156 PolarHBondContact O-N 2.86Å; D156-N158 PolarHBondContact O-N 3.47Å; D156-P162 HydrophobicContact CB-CG 4.13Å; D156-P162 VanDerWaalsContact O-CD 3.27Å; D156-P162 WeakPolarHBondContact O-CD 3.47Å; D156-R164 VanDerWaalsContact CG-NH2 3.29Å; D156-R164 IonicContact OD1-CZ 3.77Å; D156-R164 IonicContact OD1-NH1 2.72Å; D156-R164 IonicContact OD1-NH2 2.68Å; D156-R164 PolarHBondContact OD1-NH2 3.39Å; D156-R164 IonicContact OD2-NH1 3.39Å; D156-R164 IonicContact OD2-NH2 3.76Å
157	C	96.2	Very high	96.6	Very high	37 Å²	37	77.2 Å²	77.2	25%	0.25	40%	0.395	C	S	.	.			trans	-95.3	87.1	-173.2	-61	0	0	0	0	111.8	Y153 P154 Q155 C161	Y153-C157 PolarHBondContact O-SG 3.21Å; P154-C157 PolarHBondContact O-N 3.3Å; P154-C157 VanDerWaalsContact O-N 3.16Å; Q155-C157 VanDerWaalsContact C-N 3.33Å; C157-C161 HydrophobicContact CB-CB 4.05Å; C157-C161 WeakPolarHBondContact CB-SG 3.3Å; C157-C161 WeakPolarHBondContact SG-CA 3.37Å; C157-C161 WeakPolarHBondContact SG-CB 3.4Å; C157-C161 CovalentContact SG-SG 2.04Å; C157-C161 PolarHBondContact SG-SG 3.06Å
158	N	92.5	Very high	96.5	Very high	146 Å²	146	76.3 Å²	76.3	78%	0.781	41%	0.405	S	S	*	.	S	Bend	trans	-150.4	112.9	175.6	-176.1	13.8	0	0	0	112.6	D156 R160	D156-N158 PolarHBondContact O-N 3.47Å; N158-R160 PolarHBondContact N-O 3.01Å
159	P	93.7	Very high	96.4	Very high	127 Å²	127	77.1 Å²	77.1	83%	0.825	41%	0.408	S	S	*	.	S	Bend	cis	-77.3	-4	-13.7	33.9	-36	0	0	0	112.7
160	R	97.1	Very high	96.4	Very high	172 Å²	172	76.2 Å²	76.2	65%	0.649	41%	0.405	S	S	*	.	S	Bend	trans	-128.1	147.2	-176.6	-71	-178.7	-174.4	159.5	1.9	109.6	N158	N158-R160 PolarHBondContact N-O 3.01Å
161	C	97.4	Very high	96.4	Very high	20 Å²	20	77.2 Å²	77.2	14%	0.135	41%	0.407	C	S	.	.			trans	-73.4	133.3	171.3	-60.6	0	0	0	0	111.1	P152 C157 G219	P152-C161 HydrophobicContact CB-CB 4.01Å; P152-C161 HydrophobicContact CG-CB 4.04Å; C157-C161 HydrophobicContact CB-CB 4.05Å; C157-C161 WeakPolarHBondContact CB-SG 3.3Å; C157-C161 WeakPolarHBondContact SG-CA 3.37Å; C157-C161 WeakPolarHBondContact SG-CB 3.4Å; C157-C161 CovalentContact SG-SG 2.04Å; C157-C161 PolarHBondContact SG-SG 3.06Å; C161-G219 PolarHBondContact N-O 3.44Å; C161-G219 WeakPolarHBondContact O-CA 3.11Å
162	P	97	Very high	96.5	Very high	43 Å²	43	77.4 Å²	77.4	28%	0.279	41%	0.408	S	S	.	.			trans	-73.3	140.6	175.2	29.5	-34.4	0	0	0	111.1	P152 D156 R164	P152-P162 HydrophobicContact CB-CG 4.31Å; D156-P162 HydrophobicContact CB-CG 4.13Å; D156-P162 VanDerWaalsContact O-CD 3.27Å; D156-P162 WeakPolarHBondContact O-CD 3.47Å; P162-R164 HydrophobicContact CB-CG 4.4Å
163	M	96	Very high	96.5	Very high	96 Å²	96	77.5 Å²	77.5	47%	0.473	41%	0.409	S	S	.	.			trans	-85.5	109.8	166.5	-175.8	54.3	49.1	0	0	109	Y149	Y149-M163 HydrophobicContact CD2-SD 4.24Å; Y149-M163 HydrophobicContact CE2-CE 4.38Å; Y149-M163 HydrophobicContact CE2-SD 3.69Å
164	R	97.3	Very high	96.7	Very high	96 Å²	96	73.7 Å²	73.7	36%	0.362	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	97.9	179	-63.3	-179.5	-177.5	166.6	6.2	109.7	A150 D156 P162 F166	A150-R164 HydrophobicContact CB-CB 3.88Å; A150-R164 PolarHBondContact N-O 3.28Å; D156-R164 VanDerWaalsContact CG-NH2 3.29Å; D156-R164 IonicContact OD1-CZ 3.77Å; D156-R164 IonicContact OD1-NH1 2.72Å; D156-R164 IonicContact OD1-NH2 2.68Å; D156-R164 PolarHBondContact OD1-NH2 3.39Å; D156-R164 IonicContact OD2-NH1 3.39Å; D156-R164 IonicContact OD2-NH2 3.76Å; P162-R164 HydrophobicContact CB-CG 4.4Å; R164-F166 HydrophobicContact CB-CE2 4.46Å
165	C	97.9	Very high	96.9	Very high	47 Å²	47	69.5 Å²	69.5	32%	0.318	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.6	177.3	-173.3	0	0	0	0	109.2	D148 M169 C170	D148-C165 CarbonylContact O-C 3.49Å; D148-C165 WeakPolarHBondContact O-CA 3.28Å; C165-M169 VanDerWaalsContact SG-C 3.56Å; C165-C170 VanDerWaalsContact CA-SG 3.5Å; C165-C170 HydrophobicContact CB-CB 3.72Å; C165-C170 WeakPolarHBondContact CB-SG 3.18Å; C165-C170 WeakPolarHBondContact SG-CB 3.25Å; C165-C170 PolarHBondContact SG-N 3.48Å; C165-C170 VanDerWaalsContact SG-N 3.38Å; C165-C170 CovalentContact SG-SG 2.04Å; C165-C170 PolarHBondContact SG-SG 3.45Å
166	F	97.8	Very high	97	Very high	162 Å²	162	62.6 Å²	62.6	71%	0.711	33%	0.334	S	S	*	.			trans	-104.7	-6	-177.8	-58.5	-75.5	0	0	0	113.1	D148 A150 R164	D148-F166 WeakPolarHBondContact O-CD2 3.37Å; D148-F166 PolarHBondContact O-N 2.86Å; A150-F166 HydrophobicContact CB-CE2 3.86Å; R164-F166 HydrophobicContact CB-CE2 4.46Å
167	G	96.6	Very high	97.2	Very high	24 Å²	24	60.2 Å²	60.2	25%	0.247	32%	0.321	C	S	.	.	S	Bend	trans	-105.9	-175.5	177.3	0	0	0	0	0	112	M169	G167-M169 VanDerWaalsContact C-N 3.26Å; G167-M169 PolarHBondContact O-N 2.76Å
168	P	95.7	Very high	97.4	Very high	134 Å²	134	58.7 Å²	58.7	87%	0.87	31%	0.31	S	S	*	.	S	Bend	trans	-69.4	-24.5	-179.2	28.8	-34.9	0	0	0	113.1
169	M	96.9	Very high	97.6	Very high	77 Å²	77	51.9 Å²	51.9	38%	0.379	27%	0.274	S	S	.	.			trans	-157.3	139	-177.8	-166.9	68.1	99.3	0	0	110.4	E145 C165 G167 T171 H172	E145-M169 WeakPolarHBondContact CB-O 3.33Å; E145-M169 VanDerWaalsContact CD-O 3.31Å; E145-M169 WeakPolarHBondContact CG-O 3.01Å; E145-M169 WeakPolarHBondContact OE1-CB 3.06Å; E145-M169 VanDerWaalsContact OE1-CG 3.26Å; E145-M169 WeakPolarHBondContact OE1-CG 3.35Å; C165-M169 VanDerWaalsContact SG-C 3.56Å; G167-M169 VanDerWaalsContact C-N 3.26Å; G167-M169 PolarHBondContact O-N 2.76Å; M169-T171 PolarHBondContact SD-OG1 3.43Å; M169-H172 WeakPolarHBondContact CG-ND1 3.44Å
170	C	98.3	Very high	97.9	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.02	25%	0.25	C	S	.	.			trans	-132.6	-4.7	171.1	-58.5	0	0	0	0	113.4	E145 Y149 C165 H172 Y173 T174	E145-C170 WeakPolarHBondContact OE2-CA 3.48Å; Y149-C170 HydrophobicContact CD2-CB 3.98Å; Y149-C170 HydrophobicContact CG-CB 4.49Å; C165-C170 VanDerWaalsContact CA-SG 3.5Å; C165-C170 HydrophobicContact CB-CB 3.72Å; C165-C170 WeakPolarHBondContact CB-SG 3.18Å; C165-C170 WeakPolarHBondContact SG-CB 3.25Å; C165-C170 PolarHBondContact SG-N 3.48Å; C165-C170 VanDerWaalsContact SG-N 3.38Å; C165-C170 CovalentContact SG-SG 2.04Å; C165-C170 PolarHBondContact SG-SG 3.45Å; C170-H172 VanDerWaalsContact C-N 3.32Å; C170-H172 PolarHBondContact O-N 2.8Å; C170-Y173 PolarHBondContact O-N 3.15Å; C170-T174 PolarHBondContact O-N 3.07Å; C170-T174 VanDerWaalsContact O-N 3.12Å; C170-T174 PolarHBondContact O-OG1 3.42Å
171	T	98.3	Very high	97.9	Very high	52 Å²	52	40.1 Å²	40.1	32%	0.319	22%	0.219	S	C	.	.	H	α-helix	trans	-76.4	-21.1	-170.5	55.7	0	0	0	0	112.6	E145 M169 T174 Q175 N216	E145-T171 PolarHBondContact OE2-N 2.82Å; M169-T171 PolarHBondContact SD-OG1 3.43Å; T171-T174 WeakPolarHBondContact CA-OG1 3.08Å; T171-T174 PolarHBondContact O-OG1 2.78Å; T171-Q175 WeakPolarHBondContact O-CB 3.31Å; T171-Q175 PolarHBondContact O-N 2.9Å; T171-Q175 VanDerWaalsContact O-N 3.12Å; T171-N216 PolarHBondContact O-ND2 2.96Å
172	H	98.8	Very high	98	Very high	22 Å²	22	40.7 Å²	40.7	10%	0.102	22%	0.221	C	C	.	.	H	α-helix	trans	-71.7	-44.9	173.5	-53.1	114.3	0	0	0	109.8	N124 W142 E145 M169 C170 Q175 M176	N124-H172 PolarHBondContact ND2-O 3.1Å; W142-H172 HydrophobicContact CB-CB 3.57Å; W142-H172 VanDerWaalsContact CD1-CB 3.44Å; W142-H172 AromaticContact CD1-CD2 3.9Å; W142-H172 AromaticContact CD1-CG 3.48Å; W142-H172 VanDerWaalsContact CD1-CG 3.48Å; W142-H172 AromaticContact CD1-ND1 3.86Å; W142-H172 HydrophobicContact CD2-CB 4.5Å; W142-H172 HydrophobicContact CG-CB 3.59Å; W142-H172 AromaticContact NE1-CD2 3.92Å; W142-H172 AromaticContact NE1-CG 3.98Å; E145-H172 IonicContact OE1-CE1 3.67Å; E145-H172 IonicContact OE1-CG 3.5Å; E145-H172 IonicContact OE1-ND1 3.31Å; E145-H172 PolarHBondContact OE1-ND1 2.97Å; E145-H172 WeakPolarHBondContact OE2-CA 3.25Å; E145-H172 VanDerWaalsContact OE2-CB 3.32Å; E145-H172 WeakPolarHBondContact OE2-CB 3.37Å; E145-H172 IonicContact OE2-CG 3.9Å; E145-H172 PolarHBondContact OE2-N 3.49Å; E145-H172 IonicContact OE2-ND1 3.68Å; M169-H172 WeakPolarHBondContact CG-ND1 3.44Å; C170-H172 VanDerWaalsContact C-N 3.32Å; C170-H172 PolarHBondContact O-N 2.8Å; H172-Q175 PolarHBondContact O-N 3.02Å; H172-M176 WeakPolarHBondContact O-CG 3.21Å; H172-M176 PolarHBondContact O-N 2.87Å
173	Y	98.9	Very high	98	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.016	23%	0.229	C	C	.	.	H	α-helix	trans	-56.7	-53.1	173.6	168.7	-109.5	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 3.47Å; W142-Y173 VanDerWaalsContact O-CB 3.25Å; W142-Y173 WeakPolarHBondContact O-CB 3.46Å; W142-Y173 PolarHBondContact O-N 2.89Å; Y143-Y173 HydrophobicContact CD2-CD2 4.05Å; Y143-Y173 HydrophobicContact CD2-CE2 4Å; Y143-Y173 HydrophobicContact CE2-CE2 4.1Å; E145-Y173 PolarHBondContact OE2-N 3.03Å; V146-Y173 HydrophobicContact CB-CD1 4.3Å; V146-Y173 HydrophobicContact CB-CD2 3.81Å; V146-Y173 HydrophobicContact CB-CE1 4.17Å; V146-Y173 HydrophobicContact CB-CE2 3.66Å; V146-Y173 HydrophobicContact CB-CG 4.13Å; V146-Y173 HydrophobicContact CG2-CD1 4.48Å; V146-Y173 HydrophobicContact CG2-CD2 4.33Å; V146-Y173 HydrophobicContact CG2-CE1 3.87Å; V146-Y173 HydrophobicContact CG2-CE2 3.69Å; V146-Y173 VanDerWaalsContact CG2-CZ 3.41Å; V146-Y173 WeakPolarHBondContact CG2-OH 3.5Å; Y149-Y173 AromaticContact CD1-CD1 3.83Å; Y149-Y173 HydrophobicContact CD1-CD1 3.83Å; Y149-Y173 AromaticContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CD1-CE1 3.47Å; Y149-Y173 VanDerWaalsContact CD1-CE1 3.47Å; Y149-Y173 HydrophobicContact CE1-CD1 4.43Å; Y149-Y173 AromaticContact CE1-CE1 3.94Å; Y149-Y173 HydrophobicContact CE1-CE1 3.94Å; Y149-Y173 AromaticContact CG-CD1 4Å; Y149-Y173 HydrophobicContact CG-CD1 4Å; Y149-Y173 HydrophobicContact CG-CE1 4.11Å; C170-Y173 PolarHBondContact O-N 3.15Å; Y173-Q175 PolarHBondContact O-N 3.38Å; Y173-M176 WeakPolarHBondContact O-CB 3.38Å; Y173-M176 PolarHBondContact O-N 3.18Å; Y173-V177 HydrophobicContact CD1-CG2 4.37Å; Y173-V177 HydrophobicContact CD2-CG1 4.2Å; Y173-V177 HydrophobicContact CE1-CG2 3.92Å; Y173-V177 HydrophobicContact CE2-CG1 3.62Å; Y173-V177 HydrophobicContact CE2-CG2 4.08Å; Y173-V177 WeakPolarHBondContact O-CG2 3.43Å; Y173-V177 PolarHBondContact O-N 2.81Å; Y173-V177 VanDerWaalsContact O-N 3.07Å
174	T	98.8	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-32.1	-177.5	56.3	0	0	0	0	112.5	Y149 C170 T171 V177 W178 N216 P222	Y149-T174 HydrophobicContact CD2-CG2 3.88Å; Y149-T174 HydrophobicContact CE1-CG2 4.25Å; Y149-T174 HydrophobicContact CE2-CG2 3.45Å; Y149-T174 VanDerWaalsContact CE2-CG2 3.45Å; Y149-T174 HydrophobicContact CG-CG2 4.44Å; C170-T174 PolarHBondContact O-N 3.07Å; C170-T174 VanDerWaalsContact O-N 3.12Å; C170-T174 PolarHBondContact O-OG1 3.42Å; T171-T174 WeakPolarHBondContact CA-OG1 3.08Å; T171-T174 PolarHBondContact O-OG1 2.78Å; T174-V177 CarbonylContact O-C 3.55Å; T174-W178 WeakPolarHBondContact O-CB 3.33Å; T174-W178 PolarHBondContact O-N 2.99Å; T174-N216 WeakPolarHBondContact CB-OD1 3.44Å; T174-N216 PolarHBondContact OG1-OD1 3.43Å; T174-P222 HydrophobicContact CG2-CG 3.77Å
175	Q	98.9	Very high	98.2	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-69.2	-41.1	172.7	-178.5	56.8	86.9	0	0	112.3	G122 T171 H172 Y173 V177 W178 S181 Y211 N216	G122-Q175 VanDerWaalsContact CA-OE1 3.32Å; T171-Q175 WeakPolarHBondContact O-CB 3.31Å; T171-Q175 PolarHBondContact O-N 2.9Å; T171-Q175 VanDerWaalsContact O-N 3.12Å; H172-Q175 PolarHBondContact O-N 3.02Å; Y173-Q175 PolarHBondContact O-N 3.38Å; Q175-V177 PolarHBondContact O-N 2.87Å; Q175-W178 PolarHBondContact O-N 2.78Å; Q175-S181 PolarHBondContact NE2-OG 2.73Å; Q175-Y211 HydrophobicContact CG-CD1 4.15Å; Q175-Y211 HydrophobicContact CG-CD2 3.42Å; Q175-Y211 VanDerWaalsContact CG-CD2 3.42Å; Q175-Y211 HydrophobicContact CG-CE1 4.31Å; Q175-Y211 HydrophobicContact CG-CE2 3.63Å; Q175-Y211 HydrophobicContact CG-CG 3.71Å; Q175-N216 PolarHBondContact N-OD1 3.08Å
176	M	98.9	Very high	98.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.6	-39.4	176.3	-68.2	-175.7	79.2	0	0	111.5	Y73 V77 R78 V139 W142 H172 Y173	Y73-M176 HydrophobicContact CD1-CE 3.96Å; Y73-M176 HydrophobicContact CE1-CE 3.93Å; V77-M176 HydrophobicContact CG2-CB 4.49Å; V77-M176 HydrophobicContact CG2-CE 3.89Å; R78-M176 VanDerWaalsContact CG-O 3.3Å; R78-M176 WeakPolarHBondContact CG-O 3.41Å; R78-M176 PolarHBondContact NH1-O 2.96Å; V139-M176 HydrophobicContact CG1-CE 3.79Å; W142-M176 HydrophobicContact CB-CG 4.33Å; W142-M176 HydrophobicContact CB-SD 3.46Å; W142-M176 WeakPolarHBondContact CB-SD 3.32Å; W142-M176 HydrophobicContact CE3-SD 4.3Å; H172-M176 WeakPolarHBondContact O-CG 3.21Å; H172-M176 PolarHBondContact O-N 2.87Å; Y173-M176 WeakPolarHBondContact O-CB 3.38Å; Y173-M176 PolarHBondContact O-N 3.18Å
177	V	98.8	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	18.6	-177.7	-54.5	0	0	0	0	113.6	V81 M88 Y173 T174 Q175 A179 P222 Y223	V81-V177 HydrophobicContact CG1-CB 3.85Å; V81-V177 HydrophobicContact CG1-CG1 3.52Å; M88-V177 HydrophobicContact CE-CB 4.3Å; M88-V177 WeakPolarHBondContact CE-O 3.1Å; Y173-V177 HydrophobicContact CD1-CG2 4.37Å; Y173-V177 HydrophobicContact CD2-CG1 4.2Å; Y173-V177 HydrophobicContact CE1-CG2 3.92Å; Y173-V177 HydrophobicContact CE2-CG1 3.62Å; Y173-V177 HydrophobicContact CE2-CG2 4.08Å; Y173-V177 WeakPolarHBondContact O-CG2 3.43Å; Y173-V177 PolarHBondContact O-N 2.81Å; Y173-V177 VanDerWaalsContact O-N 3.07Å; T174-V177 CarbonylContact O-C 3.55Å; Q175-V177 PolarHBondContact O-N 2.87Å; V177-A179 PolarHBondContact O-N 2.7Å; V177-P222 HydrophobicContact CG2-CB 4.11Å; V177-Y223 HydrophobicContact CB-CD1 4.47Å; V177-Y223 HydrophobicContact CB-CE1 4.34Å; V177-Y223 HydrophobicContact CG2-CD1 4.31Å; V177-Y223 HydrophobicContact CG2-CE1 4.01Å; V177-Y223 WeakPolarHBondContact O-CD1 3.43Å
178	W	98.9	Very high	98.3	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.023	13%	0.132	C	C	.	.			trans	-72.8	114.1	177.5	-159.2	-91.1	0	0	0	110.3	R78 T174 Q175 T180 S181 G215 N216 W217 E220 P222	R78-W178 PolarHBondContact NH1-O 3.07Å; R78-W178 PolarHBondContact NH2-O 2.86Å; R78-W178 VanDerWaalsContact NH2-O 3.17Å; T174-W178 WeakPolarHBondContact O-CB 3.33Å; T174-W178 PolarHBondContact O-N 2.99Å; Q175-W178 PolarHBondContact O-N 2.78Å; W178-T180 VanDerWaalsContact C-N 3.3Å; W178-T180 VanDerWaalsContact CD1-OG1 3.25Å; W178-T180 PolarHBondContact NE1-OG1 3.39Å; W178-T180 PolarHBondContact O-N 2.92Å; W178-S181 PolarHBondContact O-N 2.78Å; W178-S181 VanDerWaalsContact O-N 3.08Å; W178-G215 VanDerWaalsContact CD1-CA 3.44Å; W178-G215 VanDerWaalsContact CD2-CA 3.41Å; W178-N216 VanDerWaalsContact CZ3-CA 3.43Å; W178-W217 HydrophobicContact CH2-CB 4.24Å; W178-W217 VanDerWaalsContact CH2-N 3.33Å; W178-W217 HydrophobicContact CZ2-CB 4.03Å; W178-W217 AromaticContact CZ2-CD1 3.78Å; W178-W217 HydrophobicContact CZ2-CG 4.32Å; W178-E220 HydrophobicContact CH2-CB 3.86Å; W178-E220 HydrophobicContact CZ2-CB 4.06Å; W178-P222 CarbonylContact C-O 3.55Å; W178-P222 WeakPolarHBondContact CA-O 3.49Å; W178-P222 VanDerWaalsContact CE3-CA 3.49Å; W178-P222 HydrophobicContact CE3-CB 3.86Å; W178-P222 HydrophobicContact CE3-CG 4.32Å; W178-P222 HydrophobicContact CZ3-CB 4.17Å; W178-P222 HydrophobicContact CZ3-CG 4.22Å
179	A	98.7	Very high	98.3	Very high	2 Å²	2	20.1 Å²	20.1	2%	0.017	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-46.2	-168.9	0	0	0	0	0	112.9	R78 M88 E89 V177 P222	R78-A179 PolarHBondContact NH2-O 3.21Å; M88-A179 HydrophobicContact SD-CB 4.43Å; E89-A179 VanDerWaalsContact CB-O 3.23Å; E89-A179 WeakPolarHBondContact CB-O 3.4Å; E89-A179 WeakPolarHBondContact CG-O 3.33Å; E89-A179 PolarHBondContact N-O 3.29Å; E89-A179 VanDerWaalsContact N-O 3.07Å; V177-A179 PolarHBondContact O-N 2.7Å; A179-P222 PolarHBondContact N-O 2.86Å
180	T	98.3	Very high	98.2	Very high	53 Å²	53	20 Å²	20	33%	0.325	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.8	-175.4	57.2	0	0	0	0	113.7	W178 N182 P213	W178-T180 VanDerWaalsContact C-N 3.3Å; W178-T180 VanDerWaalsContact CD1-OG1 3.25Å; W178-T180 PolarHBondContact NE1-OG1 3.39Å; W178-T180 PolarHBondContact O-N 2.92Å; T180-N182 VanDerWaalsContact C-N 3.32Å; T180-N182 PolarHBondContact O-N 3.08Å; T180-P213 VanDerWaalsContact O-CD 3.28Å; T180-P213 WeakPolarHBondContact O-CD 3.41Å
181	S	98.7	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.			trans	-71.4	88.4	176.4	-64	0	0	0	0	109.7	R78 M91 Q175 W178 P213	R78-S181 PolarHBondContact NH2-O 3.47Å; M91-S181 WeakPolarHBondContact CE-O 3.43Å; Q175-S181 PolarHBondContact NE2-OG 2.73Å; W178-S181 PolarHBondContact O-N 2.78Å; W178-S181 VanDerWaalsContact O-N 3.08Å; S181-P213 WeakPolarHBondContact CB-O 3.35Å; S181-P213 PolarHBondContact OG-O 3.17Å
182	N	97.6	Very high	98	Very high	32 Å²	32	23.7 Å²	23.7	17%	0.171	12%	0.116	C	C	.	.			trans	-100.7	1.5	-174.3	67.4	8.1	0	0	0	113.6	E89 M91 V92 T180 A212 Y236	E89-N182 HydrophobicContact CB-CB 3.89Å; E89-N182 WeakPolarHBondContact OE2-CB 3.48Å; E89-N182 PolarHBondContact OE2-ND2 2.95Å; M91-N182 CarbonylContact C-O 3.52Å; M91-N182 VanDerWaalsContact CA-O 3.32Å; M91-N182 WeakPolarHBondContact CA-O 3.26Å; V92-N182 WeakPolarHBondContact CG2-O 3.26Å; V92-N182 PolarHBondContact N-O 3.5Å; T180-N182 VanDerWaalsContact C-N 3.32Å; T180-N182 PolarHBondContact O-N 3.08Å; N182-A212 PolarHBondContact N-O 3.19Å; N182-A212 PolarHBondContact OD1-O 2.91Å; N182-Y236 PolarHBondContact ND2-OH 2.96Å
183	R	98.4	Very high	97.8	Very high	117 Å²	117	27 Å²	27	44%	0.442	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.1	175	-68.5	166.8	-173.6	-106.7	-2.3	110.9	V92 D94 L97 Y211 A212	V92-R183 HydrophobicContact CG2-CG 3.92Å; V92-R183 WeakPolarHBondContact O-CA 3.25Å; D94-R183 HydrophobicContact CB-CB 4.04Å; D94-R183 HydrophobicContact CB-CG 4.38Å; D94-R183 IonicContact OD2-CZ 3.83Å; D94-R183 IonicContact OD2-NH1 2.79Å; D94-R183 PolarHBondContact OD2-NH1 2.97Å; L97-R183 HydrophobicContact CD1-CB 3.88Å; R183-Y211 WeakPolarHBondContact O-CA 3.27Å; R183-A212 HydrophobicContact CB-CB 4.33Å; R183-A212 WeakPolarHBondContact CB-O 3.4Å; R183-A212 PolarHBondContact N-O 2.9Å; R183-A212 PolarHBondContact O-N 3.34Å
184	I	98.8	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.3	173.2	-170	176.8	0	0	0	110.7	I70 L71 H74 M91 V92 W93 D94 C209 N210 Y211	I70-I184 HydrophobicContact CG2-CD1 3.93Å; L71-I184 HydrophobicContact CD1-CG2 3.72Å; H74-I184 VanDerWaalsContact CE1-CD1 3.46Å; H74-I184 WeakPolarHBondContact CE1-CD1 3.49Å; H74-I184 WeakPolarHBondContact NE2-CD1 3.4Å; M91-I184 HydrophobicContact CG-CB 4.12Å; M91-I184 HydrophobicContact CG-CG2 3.77Å; M91-I184 HydrophobicContact SD-CB 3.6Å; M91-I184 HydrophobicContact SD-CD1 4.17Å; M91-I184 HydrophobicContact SD-CG1 4.44Å; M91-I184 HydrophobicContact SD-CG2 3.56Å; M91-I184 VanDerWaalsContact SD-CG2 3.56Å; V92-I184 PolarHBondContact O-N 3.28Å; W93-I184 CarbonylContact C-O 3.55Å; W93-I184 WeakPolarHBondContact CA-O 3.47Å; W93-I184 HydrophobicContact CE3-CG2 4.23Å; D94-I184 PolarHBondContact N-O 3.09Å; I184-C209 HydrophobicContact CD1-CB 4.29Å; I184-C209 HydrophobicContact CG1-CB 4.45Å; I184-N210 VanDerWaalsContact CA-O 3.31Å; I184-N210 WeakPolarHBondContact CA-O 3.48Å; I184-Y211 HydrophobicContact CB-CD1 4.34Å; I184-Y211 HydrophobicContact CB-CE1 4.42Å; I184-Y211 HydrophobicContact CD1-CD1 4.24Å; I184-Y211 HydrophobicContact CD1-CE1 3.51Å; I184-Y211 HydrophobicContact CG1-CD1 4.13Å; I184-Y211 HydrophobicContact CG1-CE1 3.89Å
185	G	98.4	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	133.7	165.6	0	0	0	0	0	110.4	N210	G185-N210 PolarHBondContact N-O 3.28Å; G185-N210 PolarHBondContact O-N 3.18Å
186	C	98.7	Very high	97.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	158.9	-173.8	-50	0	0	0	0	112.7	I62 I70 W93 L207 V208 C209	I62-C186 HydrophobicContact CD1-CB 4.33Å; I62-C186 WeakPolarHBondContact CG2-O 3.42Å; I70-C186 HydrophobicContact CD1-CB 3.94Å; W93-C186 HydrophobicContact CH2-CB 3.81Å; W93-C186 HydrophobicContact CZ3-CB 4.27Å; C186-L207 HydrophobicContact CB-CD1 4Å; C186-V208 CarbonylContact C-O 3.54Å; C186-V208 WeakPolarHBondContact CA-O 3.48Å; C186-V208 WeakPolarHBondContact CB-O 3.35Å; C186-C209 HydrophobicContact CB-CB 4.05Å; C186-C209 WeakPolarHBondContact CB-SG 3.03Å; C186-C209 VanDerWaalsContact SG-CA 3.52Å; C186-C209 WeakPolarHBondContact SG-CB 3.39Å; C186-C209 CovalentContact SG-SG 2.03Å; C186-C209 PolarHBondContact SG-SG 2.98Å
187	A	98	Very high	97.3	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.2	170.1	0	0	0	0	0	111.2	A101 E102 A105 L207 V208	A101-A187 HydrophobicContact CB-CB 4.07Å; E102-A187 HydrophobicContact CB-CB 3.74Å; A105-A187 HydrophobicContact CB-CB 4.46Å; A187-L207 WeakPolarHBondContact O-CA 3.24Å; A187-L207 WeakPolarHBondContact O-CD1 3.47Å; A187-V208 PolarHBondContact N-O 3.29Å; A187-V208 PolarHBondContact O-N 3.21Å
188	I	96.8	Very high	97.1	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.062	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	135.8	175.7	-173.3	157.6	0	0	0	109.9	Y61 I62 Y132 I135 L138 V205 Y206 L207	Y61-I188 WeakPolarHBondContact O-CG2 3.41Å; I62-I188 HydrophobicContact CB-CG2 4.35Å; I62-I188 HydrophobicContact CG1-CG2 4.45Å; Y132-I188 HydrophobicContact CD1-CD1 4.47Å; Y132-I188 HydrophobicContact CE1-CD1 3.67Å; Y132-I188 HydrophobicContact CE2-CD1 4.27Å; Y132-I188 WeakPolarHBondContact OH-CD1 3.17Å; I135-I188 HydrophobicContact CD1-CB 4.47Å; I135-I188 HydrophobicContact CD1-CD1 3.43Å; I135-I188 VanDerWaalsContact CD1-CD1 3.43Å; L138-I188 HydrophobicContact CD1-CD1 4.5Å; I188-V205 HydrophobicContact CD1-CG1 3.48Å; I188-V205 VanDerWaalsContact CD1-CG1 3.48Å; I188-V205 HydrophobicContact CG1-CG1 3.78Å; I188-Y206 CarbonylContact C-O 3.54Å; I188-Y206 WeakPolarHBondContact CA-O 3.38Å; I188-L207 HydrophobicContact CB-CD1 4.47Å
189	H	95.9	Very high	97	Very high	39 Å²	39	46.5 Å²	46.5	18%	0.181	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	144.6	179	-167.8	77	0	0	0	110.2	Y61 A105 C108 Y206	Y61-H189 AromaticContact CD1-ND1 3.71Å; Y61-H189 AromaticContact CE1-CE1 3.85Å; Y61-H189 AromaticContact CE1-ND1 3.25Å; Y61-H189 VanDerWaalsContact CE1-ND1 3.25Å; Y61-H189 WeakPolarHBondContact CE1-ND1 3.26Å; A105-H189 HydrophobicContact CB-CB 3.76Å; C108-H189 VanDerWaalsContact SG-CD2 3.53Å; H189-Y206 PolarHBondContact N-O 3.24Å; H189-Y206 PolarHBondContact O-N 2.99Å
190	T	95.3	Very high	96.9	Very high	75 Å²	75	51 Å²	51	46%	0.46	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.6	173	-58.8	0	0	0	0	109.1	R203 A204	T190-R203 HydrophobicContact CG2-CB 4.49Å; T190-A204 CarbonylContact C-O 3.33Å; T190-A204 WeakPolarHBondContact CA-O 3.34Å
191	C	96.2	Very high	96.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	126.3	178.7	-66.3	0	0	0	0	111.2	C108 N193 M194 R203 A204	C108-C191 WeakPolarHBondContact CA-SG 3.35Å; C108-C191 HydrophobicContact CB-CB 3.68Å; C108-C191 WeakPolarHBondContact CB-SG 3.26Å; C108-C191 WeakPolarHBondContact SG-CA 3.33Å; C108-C191 WeakPolarHBondContact SG-CB 3.32Å; C108-C191 CovalentContact SG-SG 2.04Å; C108-C191 PolarHBondContact SG-SG 2.68Å; C191-N193 VanDerWaalsContact C-N 3.34Å; C191-N193 PolarHBondContact O-N 3.48Å; C191-M194 HydrophobicContact CB-CB 3.94Å; C191-M194 HydrophobicContact CB-SD 4.17Å; C191-R203 CarbonylContact O-C 3.6Å; C191-R203 WeakPolarHBondContact O-CA 3.23Å; C191-R203 PolarHBondContact O-N 3.18Å; C191-A204 HydrophobicContact CB-CB 4.36Å; C191-A204 PolarHBondContact N-O 3.23Å; C191-A204 PolarHBondContact O-N 3.35Å
192	Q	95.4	Very high	96.6	Very high	131 Å²	131	60.9 Å²	60.9	61%	0.612	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	-45.1	178.9	-176.4	63.2	9.9	0	0	111.6	R202 R203	Q192-R202 CarbonylContact O-C 3.49Å; Q192-R202 WeakPolarHBondContact O-CA 3.42Å; Q192-R203 PolarHBondContact O-N 3.14Å
193	N	95.1	Very high	96.5	Very high	91 Å²	91	67 Å²	67	49%	0.487	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	134.1	171.2	-61.4	-60.7	0	0	0	108	C191 V200	C191-N193 VanDerWaalsContact C-N 3.34Å; C191-N193 PolarHBondContact O-N 3.48Å; N193-V200 HydrophobicContact CB-CG1 3.97Å
194	M	96.9	Very high	96.4	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	128.3	177.7	-172.9	167.8	-174.1	0	0	108.7	C108 W110 V127 C191 V196 W201 A204 Y206	C108-M194 WeakPolarHBondContact O-CG 3.44Å; W110-M194 HydrophobicContact CB-CE 3.71Å; W110-M194 HydrophobicContact CD2-CE 4.5Å; W110-M194 HydrophobicContact CE3-CE 3.92Å; W110-M194 HydrophobicContact CG-CE 4.47Å; V127-M194 HydrophobicContact CG2-SD 4.02Å; C191-M194 HydrophobicContact CB-CB 3.94Å; C191-M194 HydrophobicContact CB-SD 4.17Å; M194-V196 HydrophobicContact CB-CG2 4.27Å; M194-V196 HydrophobicContact CG-CG2 3.85Å; M194-V196 PolarHBondContact O-N 2.88Å; M194-V196 HydrophobicContact SD-CG2 4.38Å; M194-W201 PolarHBondContact N-O 3.39Å; M194-W201 PolarHBondContact O-N 3.37Å; M194-A204 HydrophobicContact CB-CB 3.92Å; M194-A204 HydrophobicContact SD-CB 4.17Å; M194-Y206 HydrophobicContact CE-CD1 3.59Å; M194-Y206 HydrophobicContact CE-CD2 3.85Å; M194-Y206 HydrophobicContact CE-CE1 3.66Å; M194-Y206 HydrophobicContact CE-CE2 3.95Å; M194-Y206 HydrophobicContact CE-CG 3.68Å; M194-Y206 HydrophobicContact SD-CD1 4.23Å; M194-Y206 HydrophobicContact SD-CG 4.1Å
195	N	97.3	Very high	96.3	Very high	99 Å²	99	61.8 Å²	61.8	53%	0.529	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	112.3	173.7	-178	29.5	0	0	0	108.8	W110 G198 S199	W110-N195 VanDerWaalsContact CB-O 3.27Å; W110-N195 WeakPolarHBondContact CB-O 3.4Å; N195-G198 VanDerWaalsContact OD1-C 3.25Å; N195-G198 VanDerWaalsContact OD1-CA 3.31Å; N195-G198 WeakPolarHBondContact OD1-CA 3.47Å; N195-G198 PolarHBondContact OD1-N 2.84Å; N195-S199 PolarHBondContact OD1-N 3.08Å
196	V	96.6	Very high	96.3	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.4	-179.3	-173.7	0	0	0	0	107.2	W110 V127 M194 G198 S199 W201	W110-V196 HydrophobicContact CB-CG2 4.31Å; W110-V196 HydrophobicContact CD2-CG1 4.21Å; W110-V196 HydrophobicContact CG-CB 4.42Å; W110-V196 HydrophobicContact CG-CG1 4.01Å; W110-V196 HydrophobicContact CG-CG2 4.31Å; V127-V196 HydrophobicContact CG1-CG1 3.69Å; V127-V196 HydrophobicContact CG1-CG2 4.21Å; V127-V196 HydrophobicContact CG2-CG2 4.07Å; M194-V196 HydrophobicContact CB-CG2 4.27Å; M194-V196 HydrophobicContact CG-CG2 3.85Å; M194-V196 PolarHBondContact O-N 2.88Å; M194-V196 HydrophobicContact SD-CG2 4.38Å; V196-G198 VanDerWaalsContact C-N 3.27Å; V196-G198 PolarHBondContact O-N 3.16Å; V196-S199 PolarHBondContact N-O 2.04Å; V196-S199 PolarHBondContact O-N 3.48Å; V196-W201 HydrophobicContact CB-CD2 3.89Å; V196-W201 HydrophobicContact CB-CE3 4.36Å; V196-W201 HydrophobicContact CB-CG 4.01Å; V196-W201 HydrophobicContact CG1-CD2 4.26Å; V196-W201 HydrophobicContact CG1-CE3 4.41Å; V196-W201 HydrophobicContact CG1-CH2 4.38Å; V196-W201 HydrophobicContact CG1-CZ2 4.2Å; V196-W201 HydrophobicContact CG1-CZ3 4.46Å; V196-W201 HydrophobicContact CG2-CB 4.2Å; V196-W201 HydrophobicContact CG2-CD2 3.96Å; V196-W201 HydrophobicContact CG2-CE3 4.13Å; V196-W201 HydrophobicContact CG2-CG 3.97Å
197	W	94.4	Very high	96.3	Very high	184 Å²	184	61.8 Å²	61.8	70%	0.697	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	43	-178.4	-52.3	-59.4	0	0	0	114.2	W110 S199 W201	W110-W197 HydrophobicContact CZ2-CH2 4.39Å; W110-W197 AromaticContact CZ2-CZ2 3.75Å; W110-W197 HydrophobicContact CZ2-CZ2 3.75Å; W110-W197 AromaticContact NE1-CD1 3.89Å; W110-W197 AromaticContact NE1-CE2 3.49Å; W110-W197 AromaticContact NE1-CZ2 3.84Å; W110-W197 AromaticContact NE1-NE1 3.33Å; W197-S199 VanDerWaalsContact C-N 3.29Å; W197-S199 PolarHBondContact O-N 3.36Å; W197-W201 HydrophobicContact CE3-CH2 4.4Å; W197-W201 HydrophobicContact CE3-CZ2 4.03Å; W197-W201 AromaticContact CZ3-CH2 3.7Å; W197-W201 HydrophobicContact CZ3-CH2 3.7Å; W197-W201 AromaticContact CZ3-CZ2 3.78Å; W197-W201 HydrophobicContact CZ3-CZ2 3.78Å
198	G	95.3	Very high	96.3	Very high	67 Å²	67	61.7 Å²	61.7	69%	0.691	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	4.7	178.6	0	0	0	0	0	115.1	N195 V196	N195-G198 VanDerWaalsContact OD1-C 3.25Å; N195-G198 VanDerWaalsContact OD1-CA 3.31Å; N195-G198 WeakPolarHBondContact OD1-CA 3.47Å; N195-G198 PolarHBondContact OD1-N 2.84Å; V196-G198 VanDerWaalsContact C-N 3.27Å; V196-G198 PolarHBondContact O-N 3.16Å
199	S	96.4	Very high	96.4	Very high	68 Å²	68	61.1 Å²	61.1	48%	0.476	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.3	176.6	-66.9	0	0	0	0	111.7	N195 V196 W197 W201	N195-S199 PolarHBondContact OD1-N 3.08Å; V196-S199 PolarHBondContact N-O 2.04Å; V196-S199 PolarHBondContact O-N 3.48Å; W197-S199 VanDerWaalsContact C-N 3.29Å; W197-S199 PolarHBondContact O-N 3.36Å; S199-W201 PolarHBondContact O-N 2.89Å
200	V	96.6	Very high	96.5	Very high	97 Å²	97	59.3 Å²	59.3	59%	0.588	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	113.1	176.5	179.8	0	0	0	0	110.4	N193	N193-V200 HydrophobicContact CB-CG1 3.97Å
201	W	96.5	Very high	96.7	Very high	64 Å²	64	55.7 Å²	55.7	24%	0.242	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.7	174.2	-71.7	25.4	0	0	0	109.5	V127 T129 M194 V196 W197 S199 A204	V127-W201 HydrophobicContact CG1-CE3 4.42Å; V127-W201 HydrophobicContact CG1-CZ3 3.99Å; V127-W201 HydrophobicContact CG2-CE3 4.08Å; V127-W201 HydrophobicContact CG2-CZ3 4.28Å; T129-W201 HydrophobicContact CG2-CB 4.03Å; T129-W201 HydrophobicContact CG2-CD2 3.71Å; T129-W201 HydrophobicContact CG2-CE3 3.48Å; T129-W201 VanDerWaalsContact CG2-CE3 3.48Å; T129-W201 HydrophobicContact CG2-CG 3.99Å; T129-W201 HydrophobicContact CG2-CZ3 4.16Å; M194-W201 PolarHBondContact N-O 3.39Å; M194-W201 PolarHBondContact O-N 3.37Å; V196-W201 HydrophobicContact CB-CD2 3.89Å; V196-W201 HydrophobicContact CB-CE3 4.36Å; V196-W201 HydrophobicContact CB-CG 4.01Å; V196-W201 HydrophobicContact CG1-CD2 4.26Å; V196-W201 HydrophobicContact CG1-CE3 4.41Å; V196-W201 HydrophobicContact CG1-CH2 4.38Å; V196-W201 HydrophobicContact CG1-CZ2 4.2Å; V196-W201 HydrophobicContact CG1-CZ3 4.46Å; V196-W201 HydrophobicContact CG2-CB 4.2Å; V196-W201 HydrophobicContact CG2-CD2 3.96Å; V196-W201 HydrophobicContact CG2-CE3 4.13Å; V196-W201 HydrophobicContact CG2-CG 3.97Å; W197-W201 HydrophobicContact CE3-CH2 4.4Å; W197-W201 HydrophobicContact CE3-CZ2 4.03Å; W197-W201 AromaticContact CZ3-CH2 3.7Å; W197-W201 HydrophobicContact CZ3-CH2 3.7Å; W197-W201 AromaticContact CZ3-CZ2 3.78Å; W197-W201 HydrophobicContact CZ3-CZ2 3.78Å; S199-W201 PolarHBondContact O-N 2.89Å; W201-A204 HydrophobicContact CB-CB 4.05Å
202	R	94.6	Very high	96.8	Very high	197 Å²	197	56.7 Å²	56.7	74%	0.743	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.5	176.6	-67.9	-175.2	173.2	-173.7	-0.7	110.6	Q192 A204	Q192-R202 CarbonylContact O-C 3.49Å; Q192-R202 WeakPolarHBondContact O-CA 3.42Å; R202-A204 VanDerWaalsContact C-N 3.26Å; R202-A204 PolarHBondContact O-N 3.15Å
203	R	94.8	Very high	96.9	Very high	161 Å²	161	53.7 Å²	53.7	61%	0.608	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	51.3	46.5	-179.1	-60.1	-178.3	62	157.2	5.2	111.8	T190 C191 Q192 V205	T190-R203 HydrophobicContact CG2-CB 4.49Å; C191-R203 CarbonylContact O-C 3.6Å; C191-R203 WeakPolarHBondContact O-CA 3.23Å; C191-R203 PolarHBondContact O-N 3.18Å; Q192-R203 PolarHBondContact O-N 3.14Å; R203-V205 PolarHBondContact O-N 2.81Å
204	A	96.2	Very high	97.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.4	179.5	0	0	0	0	0	110	V127 R128 T190 C191 M194 W201 R202	V127-A204 HydrophobicContact CG2-CB 3.93Å; R128-A204 CarbonylContact O-C 3.6Å; R128-A204 WeakPolarHBondContact O-CA 3.5Å; T190-A204 CarbonylContact C-O 3.33Å; T190-A204 WeakPolarHBondContact CA-O 3.34Å; C191-A204 HydrophobicContact CB-CB 4.36Å; C191-A204 PolarHBondContact N-O 3.23Å; C191-A204 PolarHBondContact O-N 3.35Å; M194-A204 HydrophobicContact CB-CB 3.92Å; M194-A204 HydrophobicContact SD-CB 4.17Å; W201-A204 HydrophobicContact CB-CB 4.05Å; R202-A204 VanDerWaalsContact C-N 3.26Å; R202-A204 PolarHBondContact O-N 3.15Å
205	V	96.9	Very high	97.1	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.1	171.9	179.6	0	0	0	0	107.5	V127 R128 Y132 L138 I188 R203	V127-V205 VanDerWaalsContact CA-O 3.32Å; V127-V205 WeakPolarHBondContact CA-O 3.44Å; R128-V205 HydrophobicContact CG-CB 3.96Å; R128-V205 PolarHBondContact N-O 2.85Å; R128-V205 PolarHBondContact O-N 3.37Å; Y132-V205 HydrophobicContact CD1-CB 4.49Å; Y132-V205 HydrophobicContact CD1-CG1 3.78Å; Y132-V205 HydrophobicContact CD1-CG2 4.16Å; Y132-V205 HydrophobicContact CE1-CG1 3.79Å; Y132-V205 HydrophobicContact CE1-CG2 4.48Å; L138-V205 HydrophobicContact CD1-CG1 4.47Å; L138-V205 HydrophobicContact CD2-CG1 4.02Å; I188-V205 HydrophobicContact CD1-CG1 3.48Å; I188-V205 VanDerWaalsContact CD1-CG1 3.48Å; I188-V205 HydrophobicContact CG1-CG1 3.78Å; R203-V205 PolarHBondContact O-N 2.81Å
206	Y	97.8	Very high	97.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.2	-173.7	-177.4	-151.2	0	0	0	110.2	A105 I109 W110 L125 S126 V127 I188 H189 M194 V208	A105-Y206 HydrophobicContact CB-CD1 4.36Å; I109-Y206 PolarHBondContact O-OH 3.24Å; W110-Y206 HydrophobicContact CE3-CD2 4.17Å; W110-Y206 AromaticContact CE3-CE2 3.72Å; W110-Y206 HydrophobicContact CE3-CE2 3.72Å; W110-Y206 HydrophobicContact CZ3-CD2 4.08Å; W110-Y206 AromaticContact CZ3-CE2 3.71Å; W110-Y206 HydrophobicContact CZ3-CE2 3.71Å; L125-Y206 HydrophobicContact CB-CE2 4.18Å; L125-Y206 HydrophobicContact CD2-CE2 4Å; L125-Y206 WeakPolarHBondContact CD2-OH 3.46Å; L125-Y206 HydrophobicContact CG-CE2 4.47Å; S126-Y206 WeakPolarHBondContact O-CA 3.46Å; S126-Y206 WeakPolarHBondContact O-CD2 3.35Å; V127-Y206 HydrophobicContact CB-CD2 4.49Å; I188-Y206 CarbonylContact C-O 3.54Å; I188-Y206 WeakPolarHBondContact CA-O 3.38Å; H189-Y206 PolarHBondContact N-O 3.24Å; H189-Y206 PolarHBondContact O-N 2.99Å; M194-Y206 HydrophobicContact CE-CD1 3.59Å; M194-Y206 HydrophobicContact CE-CD2 3.85Å; M194-Y206 HydrophobicContact CE-CE1 3.66Å; M194-Y206 HydrophobicContact CE-CE2 3.95Å; M194-Y206 HydrophobicContact CE-CG 3.68Å; M194-Y206 HydrophobicContact SD-CD1 4.23Å; M194-Y206 HydrophobicContact SD-CG 4.1Å; Y206-V208 HydrophobicContact CD1-CG2 4.2Å; Y206-V208 HydrophobicContact CD2-CG2 4.36Å; Y206-V208 HydrophobicContact CE1-CG2 3.71Å; Y206-V208 HydrophobicContact CE2-CG2 3.85Å
207	L	98.6	Very high	97.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.7	174	173.7	65.7	0	0	0	109	I70 L125 S126 I135 L138 V139 W142 C186 A187 I188	I70-L207 HydrophobicContact CD1-CD1 4.32Å; L125-L207 WeakPolarHBondContact CA-O 3.35Å; S126-L207 PolarHBondContact N-O 3.28Å; S126-L207 PolarHBondContact O-N 3.08Å; I135-L207 HydrophobicContact CD1-CD1 4.25Å; I135-L207 HydrophobicContact CD1-CD2 4.29Å; L138-L207 HydrophobicContact CB-CB 4.24Å; L138-L207 HydrophobicContact CB-CD2 3.67Å; L138-L207 HydrophobicContact CD2-CB 3.66Å; V139-L207 HydrophobicContact CG2-CD2 3.76Å; W142-L207 HydrophobicContact CH2-CD2 3.67Å; W142-L207 HydrophobicContact CH2-CG 4.06Å; W142-L207 HydrophobicContact CZ2-CD2 4.2Å; W142-L207 HydrophobicContact CZ2-CG 4.5Å; W142-L207 HydrophobicContact CZ3-CD2 4.39Å; C186-L207 HydrophobicContact CB-CD1 4Å; A187-L207 WeakPolarHBondContact O-CA 3.24Å; A187-L207 WeakPolarHBondContact O-CD1 3.47Å; I188-L207 HydrophobicContact CB-CD1 4.47Å
208	V	98.8	Very high	97.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.2	171.5	-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 4.43Å; A105-V208 HydrophobicContact CB-CB 4.28Å; A105-V208 HydrophobicContact CB-CG2 3.68Å; Q123-V208 HydrophobicContact CG-CG1 4.1Å; L125-V208 HydrophobicContact CD2-CB 4.2Å; L125-V208 HydrophobicContact CD2-CG1 3.91Å; L125-V208 HydrophobicContact CD2-CG2 3.87Å; C186-V208 CarbonylContact C-O 3.54Å; C186-V208 WeakPolarHBondContact CA-O 3.48Å; C186-V208 WeakPolarHBondContact CB-O 3.35Å; A187-V208 PolarHBondContact N-O 3.29Å; A187-V208 PolarHBondContact O-N 3.21Å; Y206-V208 HydrophobicContact CD1-CG2 4.2Å; Y206-V208 HydrophobicContact CD2-CG2 4.36Å; Y206-V208 HydrophobicContact CE1-CG2 3.71Å; Y206-V208 HydrophobicContact CE2-CG2 3.85Å
209	C	98.9	Very high	97.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	124	172.1	-76.8	0	0	0	0	109.7	Q123 N124 W142 I184 C186 Y211	Q123-C209 CarbonylContact C-O 3.6Å; Q123-C209 VanDerWaalsContact CA-O 3.25Å; Q123-C209 WeakPolarHBondContact CA-O 3.33Å; N124-C209 PolarHBondContact N-O 2.96Å; N124-C209 PolarHBondContact O-N 3.26Å; W142-C209 HydrophobicContact CH2-CB 3.87Å; W142-C209 VanDerWaalsContact CH2-SG 3.59Å; W142-C209 HydrophobicContact CZ3-CB 4.14Å; I184-C209 HydrophobicContact CD1-CB 4.29Å; I184-C209 HydrophobicContact CG1-CB 4.45Å; C186-C209 HydrophobicContact CB-CB 4.05Å; C186-C209 WeakPolarHBondContact CB-SG 3.03Å; C186-C209 VanDerWaalsContact SG-CA 3.52Å; C186-C209 WeakPolarHBondContact SG-CB 3.39Å; C186-C209 CovalentContact SG-SG 2.03Å; C186-C209 PolarHBondContact SG-SG 2.98Å; C209-Y211 HydrophobicContact CB-CE2 3.97Å; C209-Y211 WeakPolarHBondContact O-CE2 3.36Å
210	N	98.9	Very high	97.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.4	175	-69.7	-27.7	0	0	0	110.3	L97 S100 A101 L121 G122 Q123 I184 G185	L97-N210 HydrophobicContact CB-CB 4.12Å; L97-N210 HydrophobicContact CD2-CB 4.21Å; L97-N210 PolarHBondContact O-ND2 3.36Å; S100-N210 PolarHBondContact OG-ND2 2.04Å; A101-N210 PolarHBondContact N-ND2 3.48Å; L121-N210 HydrophobicContact CD1-CB 4.3Å; L121-N210 HydrophobicContact CD2-CB 4.48Å; G122-N210 CarbonylContact O-C 3.43Å; G122-N210 WeakPolarHBondContact O-CA 3.05Å; Q123-N210 WeakPolarHBondContact CG-OD1 3.33Å; Q123-N210 PolarHBondContact NE2-OD1 3.04Å; I184-N210 VanDerWaalsContact CA-O 3.31Å; I184-N210 WeakPolarHBondContact CA-O 3.48Å; G185-N210 PolarHBondContact N-O 3.28Å; G185-N210 PolarHBondContact O-N 3.18Å
211	Y	98.9	Very high	97.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.8	-177.9	-59.2	-97.3	0	0	0	110.5	H74 M91 L121 G122 N124 Q175 R183 I184 C209	H74-Y211 AromaticContact CD2-CE1 3.8Å; H74-Y211 AromaticContact NE2-CE1 3.59Å; H74-Y211 AromaticContact NE2-CZ 3.61Å; H74-Y211 PolarHBondContact NE2-OH 3.06Å; M91-Y211 HydrophobicContact CE-CD1 3.87Å; M91-Y211 HydrophobicContact CE-CE1 4.04Å; M91-Y211 HydrophobicContact SD-CD1 4.5Å; M91-Y211 HydrophobicContact SD-CE1 4.38Å; L121-Y211 WeakPolarHBondContact CA-O 3.49Å; L121-Y211 WeakPolarHBondContact CB-O 3.42Å; G122-Y211 PolarHBondContact N-O 3.2Å; G122-Y211 PolarHBondContact O-N 3.06Å; N124-Y211 HydrophobicContact CB-CE2 3.82Å; N124-Y211 PolarHBondContact ND2-OH 3.22Å; Q175-Y211 HydrophobicContact CG-CD1 4.15Å; Q175-Y211 HydrophobicContact CG-CD2 3.42Å; Q175-Y211 VanDerWaalsContact CG-CD2 3.42Å; Q175-Y211 HydrophobicContact CG-CE1 4.31Å; Q175-Y211 HydrophobicContact CG-CE2 3.63Å; Q175-Y211 HydrophobicContact CG-CG 3.71Å; R183-Y211 WeakPolarHBondContact O-CA 3.27Å; I184-Y211 HydrophobicContact CB-CD1 4.34Å; I184-Y211 HydrophobicContact CB-CE1 4.42Å; I184-Y211 HydrophobicContact CD1-CD1 4.24Å; I184-Y211 HydrophobicContact CD1-CE1 3.51Å; I184-Y211 HydrophobicContact CG1-CD1 4.13Å; I184-Y211 HydrophobicContact CG1-CE1 3.89Å; C209-Y211 HydrophobicContact CB-CE2 3.97Å; C209-Y211 WeakPolarHBondContact O-CE2 3.36Å
212	A	98.3	Very high	97.7	Very high	22 Å²	22	46.3 Å²	46.3	18%	0.182	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145.6	172	0	0	0	0	0	111.4	L97 N182 R183	L97-A212 HydrophobicContact CD1-CB 3.81Å; L97-A212 HydrophobicContact CD2-CB 4.18Å; N182-A212 PolarHBondContact N-O 3.19Å; N182-A212 PolarHBondContact OD1-O 2.91Å; R183-A212 HydrophobicContact CB-CB 4.33Å; R183-A212 WeakPolarHBondContact CB-O 3.4Å; R183-A212 PolarHBondContact N-O 2.9Å; R183-A212 PolarHBondContact O-N 3.34Å
213	P	97.8	Very high	97.9	Very high	67 Å²	67	37.3 Å²	37.3	44%	0.435	19%	0.186	S	C	.	.	S	Bend	cis	-50.2	159.1	-22.8	-25.7	33.6	0	0	0	113.7	T180 S181 G215	T180-P213 VanDerWaalsContact O-CD 3.28Å; T180-P213 WeakPolarHBondContact O-CD 3.41Å; S181-P213 WeakPolarHBondContact CB-O 3.35Å; S181-P213 PolarHBondContact OG-O 3.17Å; P213-G215 PolarHBondContact O-N 2.61Å
214	K	98.1	Very high	98	Very high	50 Å²	50	35.3 Å²	35.3	22%	0.217	18%	0.181	C	C	.	.			trans	-55.7	135.2	176.1	176.6	177.1	-172.3	80	0	111.3	L118 F120 L121 W217	L118-K214 WeakPolarHBondContact O-CE 3.45Å; L118-K214 PolarHBondContact O-NZ 3.36Å; F120-K214 WeakPolarHBondContact O-CB 3.49Å; F120-K214 PolarHBondContact O-N 3.04Å; L121-K214 PolarHBondContact O-NZ 2.65Å; K214-W217 HydrophobicContact CB-CZ2 4.17Å; K214-W217 HydrophobicContact CD-CH2 4.23Å; K214-W217 HydrophobicContact CD-CZ2 4.02Å; K214-W217 HydrophobicContact CG-CZ2 4.27Å; K214-W217 PolarHBondContact O-NE1 3.27Å
215	G	98.4	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.			trans	-101.5	-166.8	167	0	0	0	0	0	113.1	W178 P213 W217	W178-G215 VanDerWaalsContact CD1-CA 3.44Å; W178-G215 VanDerWaalsContact CD2-CA 3.41Å; P213-G215 PolarHBondContact O-N 2.61Å; G215-W217 VanDerWaalsContact C-N 3.3Å; G215-W217 PolarHBondContact O-N 2.85Å
216	N	98.3	Very high	98.2	Very high	47 Å²	47	38.3 Å²	38.3	25%	0.251	21%	0.205	S	C	.	.			trans	56.4	40.8	179.7	-63.6	-16.5	0	0	0	113.4	T171 T174 Q175 W178 I218	T171-N216 PolarHBondContact O-ND2 2.96Å; T174-N216 WeakPolarHBondContact CB-OD1 3.44Å; T174-N216 PolarHBondContact OG1-OD1 3.43Å; Q175-N216 PolarHBondContact N-OD1 3.08Å; W178-N216 VanDerWaalsContact CZ3-CA 3.43Å; N216-I218 PolarHBondContact O-N 3.18Å
217	W	97.7	Very high	98.2	Very high	118 Å²	118	43.4 Å²	43.4	45%	0.447	24%	0.236	S	C	.	.			trans	-65.8	132	172.1	-70.1	103	0	0	0	110.4	W178 K214 G215 G219 E220	W178-W217 HydrophobicContact CH2-CB 4.24Å; W178-W217 VanDerWaalsContact CH2-N 3.33Å; W178-W217 HydrophobicContact CZ2-CB 4.03Å; W178-W217 AromaticContact CZ2-CD1 3.78Å; W178-W217 HydrophobicContact CZ2-CG 4.32Å; K214-W217 HydrophobicContact CB-CZ2 4.17Å; K214-W217 HydrophobicContact CD-CH2 4.23Å; K214-W217 HydrophobicContact CD-CZ2 4.02Å; K214-W217 HydrophobicContact CG-CZ2 4.27Å; K214-W217 PolarHBondContact O-NE1 3.27Å; G215-W217 VanDerWaalsContact C-N 3.3Å; G215-W217 PolarHBondContact O-N 2.85Å; W217-G219 PolarHBondContact O-N 3.46Å; W217-E220 HydrophobicContact CB-CB 4.04Å; W217-E220 HydrophobicContact CB-CG 3.93Å; W217-E220 PolarHBondContact O-N 3.49Å; W217-E220 VanDerWaalsContact O-N 3.15Å
218	I	96.9	Very high	98.2	Very high	155 Å²	155	45.4 Å²	45.4	80%	0.795	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	122.7	-178.4	-63.2	173	0	0	0	108.9	N216	N216-I218 PolarHBondContact O-N 3.18Å
219	G	97.3	Very high	98.1	Very high	19 Å²	19	46.6 Å²	46.6	20%	0.196	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	10.5	179.7	0	0	0	0	0	114.5	C161 W217	C161-G219 PolarHBondContact N-O 3.44Å; C161-G219 WeakPolarHBondContact O-CA 3.11Å; W217-G219 PolarHBondContact O-N 3.46Å
220	E	97.8	Very high	98	Very high	103 Å²	103	50 Å²	50	48%	0.481	28%	0.281	S	S	.	.			trans	-114.8	147.8	175.3	-65.1	-174.7	-162.6	0	0	111.6	W178 W217	W178-E220 HydrophobicContact CH2-CB 3.86Å; W178-E220 HydrophobicContact CZ2-CB 4.06Å; W217-E220 HydrophobicContact CB-CB 4.04Å; W217-E220 HydrophobicContact CB-CG 3.93Å; W217-E220 PolarHBondContact O-N 3.49Å; W217-E220 VanDerWaalsContact O-N 3.15Å
221	A	97.9	Very high	97.9	Very high	24 Å²	24	52 Å²	52	20%	0.198	29%	0.294	C	S	.	.			trans	-79.7	149.9	170.5	0	0	0	0	0	110.2	F151 P152 Y223	F151-A221 HydrophobicContact CZ-CB 4.06Å; P152-A221 HydrophobicContact CG-CB 3.88Å; A221-Y223 PolarHBondContact O-N 3.41Å
222	P	98.4	Very high	97.9	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.013	30%	0.303	C	S	.	.	S	Bend	trans	-61.1	-28.4	-179.3	-23.9	33.6	0	0	0	114.5	Y149 T174 V177 W178 A179	Y149-P222 WeakPolarHBondContact OH-CD 3.02Å; Y149-P222 VanDerWaalsContact OH-CG 3.32Å; Y149-P222 WeakPolarHBondContact OH-CG 3.01Å; T174-P222 HydrophobicContact CG2-CG 3.77Å; V177-P222 HydrophobicContact CG2-CB 4.11Å; W178-P222 CarbonylContact C-O 3.55Å; W178-P222 WeakPolarHBondContact CA-O 3.49Å; W178-P222 VanDerWaalsContact CE3-CA 3.49Å; W178-P222 HydrophobicContact CE3-CB 3.86Å; W178-P222 HydrophobicContact CE3-CG 4.32Å; W178-P222 HydrophobicContact CZ3-CB 4.17Å; W178-P222 HydrophobicContact CZ3-CG 4.22Å; A179-P222 PolarHBondContact N-O 2.86Å
223	Y	98.7	Very high	97.7	Very high	9 Å²	9	53.9 Å²	53.9	4%	0.035	31%	0.306	C	S	.	.	S	Bend	trans	-155.9	171.4	179.8	51.4	-99.8	0	0	0	110.7	V81 F82 P83 A85 M88 F151 V177 A221	V81-Y223 HydrophobicContact CB-CE1 4.02Å; V81-Y223 HydrophobicContact CG1-CE1 4.16Å; V81-Y223 HydrophobicContact CG2-CE1 4.04Å; V81-Y223 HydrophobicContact CG2-CE2 4.23Å; F82-Y223 PolarHBondContact O-OH 3.33Å; P83-Y223 HydrophobicContact CG-CE2 4.29Å; P83-Y223 WeakPolarHBondContact O-CE2 3.33Å; P83-Y223 PolarHBondContact O-OH 2.92Å; P83-Y223 VanDerWaalsContact O-OH 3.08Å; A85-Y223 HydrophobicContact CB-CD1 4.43Å; A85-Y223 HydrophobicContact CB-CD2 3.45Å; A85-Y223 VanDerWaalsContact CB-CD2 3.45Å; A85-Y223 HydrophobicContact CB-CE2 3.99Å; A85-Y223 HydrophobicContact CB-CG 3.7Å; M88-Y223 HydrophobicContact CE-CD1 3.57Å; M88-Y223 HydrophobicContact CE-CE1 4.23Å; M88-Y223 HydrophobicContact CE-CG 3.92Å; F151-Y223 HydrophobicContact CD2-CE1 4.01Å; F151-Y223 AromaticContact CD2-CE2 3.85Å; F151-Y223 HydrophobicContact CD2-CE2 3.85Å; F151-Y223 AromaticContact CD2-CZ 3.5Å; F151-Y223 VanDerWaalsContact CD2-CZ 3.5Å; F151-Y223 WeakPolarHBondContact CD2-OH 3.21Å; F151-Y223 HydrophobicContact CE1-CE2 4.5Å; F151-Y223 AromaticContact CE2-CD1 3.94Å; F151-Y223 HydrophobicContact CE2-CD1 3.94Å; F151-Y223 AromaticContact CE2-CD2 3.58Å; F151-Y223 HydrophobicContact CE2-CD2 3.58Å; F151-Y223 AromaticContact CE2-CE1 3.59Å; F151-Y223 HydrophobicContact CE2-CE1 3.59Å; F151-Y223 AromaticContact CE2-CE2 3.19Å; F151-Y223 HydrophobicContact CE2-CE2 3.19Å; F151-Y223 AromaticContact CE2-CG 3.94Å; F151-Y223 HydrophobicContact CE2-CG 3.94Å; F151-Y223 AromaticContact CE2-CZ 3.2Å; F151-Y223 AromaticContact CZ-CD2 3.74Å; F151-Y223 HydrophobicContact CZ-CD2 3.74Å; F151-Y223 AromaticContact CZ-CE2 3.58Å; F151-Y223 HydrophobicContact CZ-CE2 3.58Å; F151-Y223 HydrophobicContact CZ-CG 4.34Å; F151-Y223 WeakPolarHBondContact CZ-O 3.48Å; V177-Y223 HydrophobicContact CB-CD1 4.47Å; V177-Y223 HydrophobicContact CB-CE1 4.34Å; V177-Y223 HydrophobicContact CG2-CD1 4.31Å; V177-Y223 HydrophobicContact CG2-CE1 4.01Å; V177-Y223 WeakPolarHBondContact O-CD1 3.43Å; A221-Y223 PolarHBondContact O-N 3.41Å
224	K	98.3	Very high	97.4	Very high	118 Å²	118	56.8 Å²	56.8	51%	0.513	32%	0.324	S	S	.	.			trans	-89.4	127.2	173.8	-175.6	-179.1	176.8	-170.5	0	109.5	A85 A86 N87 S231	A85-K224 CarbonylContact C-O 3.52Å; A85-K224 WeakPolarHBondContact CA-O 3.39Å; A86-K224 HydrophobicContact CB-CB 4.49Å; A86-K224 HydrophobicContact CB-CG 4.44Å; A86-K224 PolarHBondContact N-O 3.37Å; N87-K224 WeakPolarHBondContact OD1-CB 3.32Å; N87-K224 PolarHBondContact OD1-N 2.03Å; K224-S231 PolarHBondContact NZ-OG 3.01Å
225	V	98.1	Very high	96.9	Very high	44 Å²	44	59.3 Å²	59.3	27%	0.267	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-67.2	136.6	173.7	-179.1	0	0	0	0	110.3	P83 P84 F151 Y153	P83-V225 HydrophobicContact CB-CG1 4.02Å; P83-V225 HydrophobicContact CB-CG2 4.24Å; P83-V225 HydrophobicContact CG-CG1 4.4Å; P83-V225 HydrophobicContact CG-CG2 3.7Å; P84-V225 WeakPolarHBondContact O-CA 3.2Å; F151-V225 HydrophobicContact CD1-CG2 3.97Å; F151-V225 HydrophobicContact CE1-CG2 3.2Å; F151-V225 HydrophobicContact CZ-CG2 3.73Å; Y153-V225 HydrophobicContact CD1-CG2 4.33Å
226	G	97.8	Very high	96.5	Very high	27 Å²	27	60.2 Å²	60.2	28%	0.278	35%	0.352	S	S	.	.	S	Bend	trans	161.6	-173.4	170.5	0	0	0	0	0	112.8	P84	P84-G226 CarbonylContact C-O 3.51Å; P84-G226 WeakPolarHBondContact CB-O 3.49Å; P84-G226 PolarHBondContact O-N 2.57Å; P84-G226 VanDerWaalsContact O-O 3.12Å
227	V	98.1	Very high	95.7	Very high	107 Å²	107	61.5 Å²	61.5	65%	0.648	38%	0.376	S	S	*	.	S	Bend	trans	-58.5	131.6	175.9	177.5	0	0	0	0	108.8	A86 C229 S230	A86-V227 WeakPolarHBondContact CA-O 3.37Å; V227-C229 PolarHBondContact O-N 3.11Å; V227-S230 WeakPolarHBondContact O-CB 2.99Å; V227-S230 PolarHBondContact O-N 3Å; V227-S230 PolarHBondContact O-OG 3.26Å
228	P	98.3	Very high	94.9	Very high	42 Å²	42	59.1 Å²	59.1	27%	0.273	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	134.5	176.7	-33.2	38.1	0	0	0	113.1	P84 A85 S230 N243	P84-P228 HydrophobicContact CB-CG 4.25Å; A85-P228 WeakPolarHBondContact O-CA 3.33Å; P228-S230 PolarHBondContact O-N 2.8Å; P228-N243 HydrophobicContact CB-CB 3.75Å; P228-N243 WeakPolarHBondContact CB-OD1 3.49Å; P228-N243 HydrophobicContact CG-CB 4.12Å
229	C	97.5	Very high	94.5	Very high	24 Å²	24	53.7 Å²	53.7	16%	0.162	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	4	-180	-53.6	0	0	0	0	117.2	A86 V227 S231 C232 C240 L244	A86-C229 CarbonylContact O-C 3.3Å; A86-C229 VanDerWaalsContact O-C 3.3Å; A86-C229 WeakPolarHBondContact O-CA 3.42Å; A86-C229 PolarHBondContact O-N 3.48Å; V227-C229 PolarHBondContact O-N 3.11Å; C229-S231 PolarHBondContact O-N 3.11Å; C229-C232 WeakPolarHBondContact CA-SG 3.45Å; C229-C232 VanDerWaalsContact CB-SG 3.57Å; C229-C232 PolarHBondContact O-N 2.93Å; C229-C232 PolarHBondContact O-SG 3.38Å; C229-C240 HydrophobicContact CB-CB 3.52Å; C229-C240 WeakPolarHBondContact CB-SG 3.43Å; C229-C240 WeakPolarHBondContact SG-CB 3.24Å; C229-C240 CovalentContact SG-SG 2.04Å; C229-C240 PolarHBondContact SG-SG 3.39Å; C229-L244 VanDerWaalsContact SG-C 3.57Å; C229-L244 PolarHBondContact SG-O 3.04Å
230	S	97.3	Very high	94.3	Very high	73 Å²	73	55.7 Å²	55.7	51%	0.51	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-6.7	179.2	64.2	0	0	0	0	114.8	A86 V227 P228	A86-S230 WeakPolarHBondContact CB-OG 3.34Å; A86-S230 PolarHBondContact O-N 3.11Å; V227-S230 WeakPolarHBondContact O-CB 2.99Å; V227-S230 PolarHBondContact O-N 3Å; V227-S230 PolarHBondContact O-OG 3.26Å; P228-S230 PolarHBondContact O-N 2.8Å
231	S	97.3	Very high	94.2	Very high	40 Å²	40	53.6 Å²	53.6	28%	0.28	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.5	34.9	176.3	-65.5	0	0	0	0	111.7	A86 N87 K224 C229	A86-S231 CarbonylContact O-C 3.43Å; A86-S231 WeakPolarHBondContact O-CA 3.38Å; A86-S231 PolarHBondContact O-N 3.41Å; N87-S231 VanDerWaalsContact CB-O 3.23Å; N87-S231 WeakPolarHBondContact CB-O 2.96Å; K224-S231 PolarHBondContact NZ-OG 3.01Å; C229-S231 PolarHBondContact O-N 3.11Å
232	C	96.9	Very high	94.1	Very high	26 Å²	26	58.8 Å²	58.8	18%	0.176	39%	0.393	C	S	.	.			trans	-62.7	143	172.4	-70.8	0	0	0	0	112	C229 C245	C229-C232 WeakPolarHBondContact CA-SG 3.45Å; C229-C232 VanDerWaalsContact CB-SG 3.57Å; C229-C232 PolarHBondContact O-N 2.93Å; C229-C232 PolarHBondContact O-SG 3.38Å; C232-C245 WeakPolarHBondContact CA-SG 3.31Å; C232-C245 HydrophobicContact CB-CB 3.7Å; C232-C245 WeakPolarHBondContact CB-SG 3.34Å; C232-C245 WeakPolarHBondContact SG-CA 3.48Å; C232-C245 WeakPolarHBondContact SG-CB 3.25Å; C232-C245 CovalentContact SG-SG 2.03Å; C232-C245 PolarHBondContact SG-SG 3.4Å
233	P	94.3	Very high	94.1	Very high	37 Å²	37	62.5 Å²	62.5	24%	0.24	41%	0.413	C	S	.	.			trans	-58.8	145	172.9	-21.5	31	0	0	0	111.6	E89 S235 Y236	E89-P233 HydrophobicContact CG-CG 4.44Å; P233-S235 PolarHBondContact O-N 3.03Å; P233-Y236 HydrophobicContact CB-CD2 3.89Å; P233-Y236 HydrophobicContact CB-CE2 4.2Å; P233-Y236 HydrophobicContact CG-CD2 3.93Å; P233-Y236 HydrophobicContact CG-CE2 3.92Å; P233-Y236 PolarHBondContact O-N 3.01Å
234	P	91.3	Very high	94	Very high	128 Å²	128	62.2 Å²	62.2	83%	0.831	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-55.6	-26.8	-179.4	-28.2	35.4	0	0	0	114.6	Y236 G237	P234-Y236 PolarHBondContact O-N 3.09Å; P234-Y236 VanDerWaalsContact O-N 3.09Å; P234-G237 PolarHBondContact O-N 3.19Å
235	S	89.1	Confident	94	Very high	102 Å²	102	56.6 Å²	56.6	71%	0.713	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-58	-19.7	175.9	56.6	0	0	0	0	114.3	P233	P233-S235 PolarHBondContact O-N 3.03Å
236	Y	88.7	Confident	93.7	Very high	20 Å²	20	55.7 Å²	55.7	8%	0.078	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-88.4	-4	178.3	-70.1	-86.6	0	0	0	113.5	E89 N182 P233 P234 G238 S239 C245 P247	E89-Y236 HydrophobicContact CB-CE2 4.43Å; E89-Y236 WeakPolarHBondContact CB-OH 3.12Å; E89-Y236 HydrophobicContact CG-CE2 3.8Å; E89-Y236 WeakPolarHBondContact OE2-CE2 3.43Å; E89-Y236 PolarHBondContact OE2-OH 3.12Å; N182-Y236 PolarHBondContact ND2-OH 2.96Å; P233-Y236 HydrophobicContact CB-CD2 3.89Å; P233-Y236 HydrophobicContact CB-CE2 4.2Å; P233-Y236 HydrophobicContact CG-CD2 3.93Å; P233-Y236 HydrophobicContact CG-CE2 3.92Å; P233-Y236 PolarHBondContact O-N 3.01Å; P234-Y236 PolarHBondContact O-N 3.09Å; P234-Y236 VanDerWaalsContact O-N 3.09Å; Y236-G238 PolarHBondContact O-N 3.4Å; Y236-G238 VanDerWaalsContact O-N 3.11Å; Y236-S239 PolarHBondContact O-N 3.06Å; Y236-C245 VanDerWaalsContact CD1-C 3.45Å; Y236-C245 HydrophobicContact CD1-CB 3.92Å; Y236-C245 VanDerWaalsContact CD1-O 3.24Å; Y236-C245 WeakPolarHBondContact CD1-O 3.36Å; Y236-C245 HydrophobicContact CD2-CB 4.08Å; Y236-C245 HydrophobicContact CE1-CB 4.28Å; Y236-C245 WeakPolarHBondContact CE1-O 3.37Å; Y236-C245 HydrophobicContact CE2-CB 4.41Å; Y236-C245 HydrophobicContact CG-CB 3.82Å; Y236-P247 HydrophobicContact CD1-CB 4.14Å; Y236-P247 HydrophobicContact CE1-CB 4.31Å; Y236-P247 HydrophobicContact CE1-CG 4.37Å
237	G	83	Confident	92.9	Very high	73 Å²	73	56.8 Å²	56.8	75%	0.753	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	20.3	174.7	0	0	0	0	0	114.8	P234 S239	P234-G237 PolarHBondContact O-N 3.19Å; G237-S239 VanDerWaalsContact C-N 3.3Å; G237-S239 PolarHBondContact O-N 3.04Å
238	G	80.9	Confident	91.5	Very high	69 Å²	69	53.9 Å²	53.9	71%	0.711	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	6.1	-179.7	0	0	0	0	0	115.5	Y236	Y236-G238 PolarHBondContact O-N 3.4Å; Y236-G238 VanDerWaalsContact O-N 3.11Å
239	S	88.2	Confident	89.6	Confident	40 Å²	40	56.2 Å²	56.2	28%	0.28	39%	0.387	S	S	.	.			trans	-75.2	138.7	177.8	169.8	0	0	0	0	111.8	Y236 G237 F246	Y236-S239 PolarHBondContact O-N 3.06Å; G237-S239 VanDerWaalsContact C-N 3.3Å; G237-S239 PolarHBondContact O-N 3.04Å; S239-F246 WeakPolarHBondContact CB-O 3.31Å; S239-F246 PolarHBondContact O-N 2.95Å; S239-F246 PolarHBondContact OG-O 3.35Å
240	C	93.5	Very high	87.5	Confident	62 Å²	62	62.1 Å²	62.1	42%	0.419	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	122.6	-177.8	-171.2	0	0	0	0	110	C229 L244	C229-C240 HydrophobicContact CB-CB 3.52Å; C229-C240 WeakPolarHBondContact CB-SG 3.43Å; C229-C240 WeakPolarHBondContact SG-CB 3.24Å; C229-C240 CovalentContact SG-SG 2.04Å; C229-C240 PolarHBondContact SG-SG 3.39Å; C240-L244 WeakPolarHBondContact CA-O 3.28Å
241	T	94.4	Very high	85.2	Confident	59 Å²	59	61.5 Å²	61.5	36%	0.362	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	127.8	177.5	-55.7	0	0	0	0	108.2	N243 L244	T241-N243 PolarHBondContact O-N 3.39Å; T241-N243 VanDerWaalsContact O-N 3.15Å; T241-L244 PolarHBondContact N-O 2.89Å; T241-L244 WeakPolarHBondContact O-CB 3.5Å; T241-L244 PolarHBondContact O-N 2.96Å
242	D	95.9	Very high	82.8	Confident	132 Å²	132	67.7 Å²	67.7	71%	0.706	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	41	179.3	-59.9	-40.6	0	0	0	113.9	G79 L244	G79-D242 VanDerWaalsContact CA-O 3.32Å; G79-D242 WeakPolarHBondContact CA-O 3.45Å; D242-L244 VanDerWaalsContact C-N 3.26Å; D242-L244 PolarHBondContact O-N 2.92Å
243	N	98.1	Very high	80.3	Confident	80 Å²	80	74 Å²	74	43%	0.428	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	16.9	-176.5	-54.9	-39.8	0	0	0	115.4	G79 P228 T241	G79-N243 PolarHBondContact O-ND2 3.46Å; P228-N243 HydrophobicContact CB-CB 3.75Å; P228-N243 WeakPolarHBondContact CB-OD1 3.49Å; P228-N243 HydrophobicContact CG-CB 4.12Å; T241-N243 PolarHBondContact O-N 3.39Å; T241-N243 VanDerWaalsContact O-N 3.15Å
244	L	98	Very high	78.2	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.016	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.6	179.8	-55.6	172.5	0	0	0	111.3	N75 R78 M88 Y90 C229 C240 T241 D242 F246	N75-L244 HydrophobicContact CB-CD1 3.92Å; R78-L244 HydrophobicContact CB-CD2 3.7Å; M88-L244 HydrophobicContact CB-CD2 3.96Å; M88-L244 HydrophobicContact CG-CD2 3.3Å; M88-L244 CarbonylContact O-C 3.55Å; M88-L244 WeakPolarHBondContact O-CA 3.23Å; Y90-L244 HydrophobicContact CD2-CB 4.39Å; Y90-L244 HydrophobicContact CD2-CD1 3.67Å; Y90-L244 HydrophobicContact CE2-CD1 4.32Å; C229-L244 VanDerWaalsContact SG-C 3.57Å; C229-L244 PolarHBondContact SG-O 3.04Å; C240-L244 WeakPolarHBondContact CA-O 3.28Å; T241-L244 PolarHBondContact N-O 2.89Å; T241-L244 WeakPolarHBondContact O-CB 3.5Å; T241-L244 PolarHBondContact O-N 2.96Å; D242-L244 VanDerWaalsContact C-N 3.26Å; D242-L244 PolarHBondContact O-N 2.92Å; L244-F246 PolarHBondContact O-N 3.5Å
245	C	96.9	Very high	76.2	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	105.8	167.7	-51.6	0	0	0	0	108.2	M88 Y90 C232 Y236	M88-C245 PolarHBondContact O-N 3.32Å; M88-C245 PolarHBondContact O-SG 3.49Å; M88-C245 VanDerWaalsContact O-SG 3.42Å; Y90-C245 VanDerWaalsContact CB-O 3.26Å; Y90-C245 WeakPolarHBondContact CB-O 3.42Å; Y90-C245 PolarHBondContact N-O 3.45Å; C232-C245 WeakPolarHBondContact CA-SG 3.31Å; C232-C245 HydrophobicContact CB-CB 3.7Å; C232-C245 WeakPolarHBondContact CB-SG 3.34Å; C232-C245 WeakPolarHBondContact SG-CA 3.48Å; C232-C245 WeakPolarHBondContact SG-CB 3.25Å; C232-C245 CovalentContact SG-SG 2.03Å; C232-C245 PolarHBondContact SG-SG 3.4Å; Y236-C245 VanDerWaalsContact CD1-C 3.45Å; Y236-C245 HydrophobicContact CD1-CB 3.92Å; Y236-C245 VanDerWaalsContact CD1-O 3.24Å; Y236-C245 WeakPolarHBondContact CD1-O 3.36Å; Y236-C245 HydrophobicContact CD2-CB 4.08Å; Y236-C245 HydrophobicContact CE1-CB 4.28Å; Y236-C245 WeakPolarHBondContact CE1-O 3.37Å; Y236-C245 HydrophobicContact CE2-CB 4.41Å; Y236-C245 HydrophobicContact CG-CB 3.82Å
246	F	92.1	Very high	74.6	Confident	25 Å²	25	75 Å²	75	11%	0.11	44%	0.443	C	S	.	.			trans	-109.7	126.8	-171.6	-165.2	-86.1	0	0	0	109.4	Y90 S239 L244 G248	Y90-F246 HydrophobicContact CD1-CD2 4.01Å; Y90-F246 AromaticContact CD1-CE2 3.78Å; Y90-F246 HydrophobicContact CD1-CE2 3.78Å; Y90-F246 AromaticContact CD2-CD2 3.42Å; Y90-F246 HydrophobicContact CD2-CD2 3.42Å; Y90-F246 VanDerWaalsContact CD2-CD2 3.42Å; Y90-F246 AromaticContact CD2-CE2 3.61Å; Y90-F246 HydrophobicContact CD2-CE2 3.61Å; Y90-F246 HydrophobicContact CE1-CD2 4.41Å; Y90-F246 AromaticContact CE1-CE2 3.76Å; Y90-F246 HydrophobicContact CE1-CE2 3.76Å; Y90-F246 AromaticContact CE2-CD2 3.88Å; Y90-F246 HydrophobicContact CE2-CD2 3.88Å; Y90-F246 AromaticContact CE2-CE2 3.59Å; Y90-F246 HydrophobicContact CE2-CE2 3.59Å; Y90-F246 AromaticContact CG-CD2 3.49Å; Y90-F246 HydrophobicContact CG-CD2 3.49Å; Y90-F246 VanDerWaalsContact CG-CD2 3.49Å; Y90-F246 AromaticContact CG-CE2 3.7Å; Y90-F246 HydrophobicContact CG-CE2 3.7Å; Y90-F246 AromaticContact CZ-CE2 3.67Å; S239-F246 WeakPolarHBondContact CB-O 3.31Å; S239-F246 PolarHBondContact O-N 2.95Å; S239-F246 PolarHBondContact OG-O 3.35Å; L244-F246 PolarHBondContact O-N 3.5Å; F246-G248 PolarHBondContact O-N 3Å
247	P	82.1	Confident	72.9	Confident	51 Å²	51	76.6 Å²	76.6	33%	0.331	45%	0.451	S	S	.	.			trans	-69	123.3	-178.7	27.3	-29.1	0	0	0	107.5	Y236 V249	Y236-P247 HydrophobicContact CD1-CB 4.14Å; Y236-P247 HydrophobicContact CE1-CB 4.31Å; Y236-P247 HydrophobicContact CE1-CG 4.37Å; P247-V249 PolarHBondContact O-N 3.33Å; P247-V249 VanDerWaalsContact O-N 3.11Å
248	G	67.2	Low	70.9	Confident	45 Å²	45	82.6 Å²	82.6	46%	0.464	46%	0.456	S	S	.	.			trans	-50.8	122.5	177.3	0	0	0	0	0	110.1	F246 T250	F246-G248 PolarHBondContact O-N 3Å; G248-T250 PolarHBondContact O-N 3.39Å
249	V	60.1	Low	70.4	Confident	91 Å²	91	83.3 Å²	83.3	55%	0.552	44%	0.443	S	S	*	.			trans	-62.9	108.6	180	-112.2	0	0	0	0	108.8	P247 L254	P247-V249 PolarHBondContact O-N 3.33Å; P247-V249 VanDerWaalsContact O-N 3.11Å; V249-L254 HydrophobicContact CG1-CD2 3.64Å; V249-L254 HydrophobicContact CG1-CG 4.21Å
250	T	51.8	Low	69.4	Low	148 Å²	148	85.6 Å²	85.6	91%	0.908	45%	0.452	S	S	*	.	S	Bend	trans	-82.9	-0.2	173.1	50.9	0	0	0	0	112.7	G248	G248-T250 PolarHBondContact O-N 3.39Å
251	S	49.8	Very low	68.1	Low	60 Å²	60	86.9 Å²	86.9	42%	0.42	45%	0.454	S	S	.	.	S	Bend	trans	-154.2	144.2	178.8	173.9	0	0	0	0	110.7	Y253	S251-Y253 PolarHBondContact O-N 3.45Å; S251-Y253 PolarHBondContact OG-N 3Å
252	N	47	Very low	66.5	Low	171 Å²	171	88.5 Å²	88.5	91%	0.914	46%	0.459	S	S	*	.	S	Bend	trans	-66.6	8	171.5	-72.2	-31.8	0	0	0	113.7
253	Y	44.3	Very low	64.7	Low	157 Å²	157	85.8 Å²	85.8	62%	0.616	44%	0.444	S	S	*	.			trans	-116.2	101.4	177	-74.2	-85	0	0	0	111	S251 Y255	S251-Y253 PolarHBondContact O-N 3.45Å; S251-Y253 PolarHBondContact OG-N 3Å; Y253-Y255 HydrophobicContact CD1-CE1 4.37Å; Y253-Y255 HydrophobicContact CD1-CE2 4.44Å; Y253-Y255 AromaticContact CD1-CZ 3.98Å; Y253-Y255 HydrophobicContact CG-CE2 4.16Å; Y253-Y255 PolarHBondContact O-N 3.36Å
254	L	49.3	Very low	62.5	Low	90 Å²	90	86.2 Å²	86.2	47%	0.471	45%	0.445	S	S	.	.			trans	-80.5	91.5	164.8	-71.7	175.3	0	0	0	109.2	V249 W256	V249-L254 HydrophobicContact CG1-CD2 3.64Å; V249-L254 HydrophobicContact CG1-CG 4.21Å; L254-W256 VanDerWaalsContact C-N 3.27Å; L254-W256 HydrophobicContact CB-CD2 4.42Å; L254-W256 HydrophobicContact CB-CG 4.41Å; L254-W256 HydrophobicContact CB-CZ2 4.35Å; L254-W256 HydrophobicContact CD1-CZ2 4.06Å; L254-W256 HydrophobicContact CD2-CH2 4.03Å; L254-W256 HydrophobicContact CD2-CZ2 3.39Å; L254-W256 HydrophobicContact CG-CZ2 4.12Å; L254-W256 PolarHBondContact O-N 3.02Å
255	Y	50.7	Low	59.9	Low	135 Å²	135	92.1 Å²	92.1	53%	0.529	48%	0.476	S	S	.	.			trans	-78.8	75.9	172.7	-71.7	-64.1	0	0	0	110.5	Y253 K258	Y253-Y255 HydrophobicContact CD1-CE1 4.37Å; Y253-Y255 HydrophobicContact CD1-CE2 4.44Å; Y253-Y255 AromaticContact CD1-CZ 3.98Å; Y253-Y255 HydrophobicContact CG-CE2 4.16Å; Y253-Y255 PolarHBondContact O-N 3.36Å; Y255-K258 HydrophobicContact CD1-CD 3.52Å; Y255-K258 HydrophobicContact CD1-CG 3.92Å; Y255-K258 HydrophobicContact CE1-CD 3.58Å; Y255-K258 HydrophobicContact CE1-CG 4.35Å; Y255-K258 HydrophobicContact CG-CD 4.48Å; Y255-K258 PolarHBondContact OH-NZ 3.16Å
256	W	54.6	Low	57.1	Low	64 Å²	64	99.2 Å²	99.2	24%	0.242	51%	0.512	C	S	.	.	S	Bend	trans	-80.6	-20.4	176.8	-60.5	130	0	0	0	113.8	Y90 V92 L254	Y90-W256 HydrophobicContact CE1-CH2 4.27Å; Y90-W256 HydrophobicContact CE1-CZ2 4.21Å; V92-W256 HydrophobicContact CB-CE3 4.1Å; V92-W256 HydrophobicContact CB-CH2 4.31Å; V92-W256 HydrophobicContact CB-CZ3 3.59Å; V92-W256 HydrophobicContact CG1-CE3 4.21Å; V92-W256 HydrophobicContact CG1-CH2 3.52Å; V92-W256 HydrophobicContact CG1-CZ3 3.27Å; L254-W256 VanDerWaalsContact C-N 3.27Å; L254-W256 HydrophobicContact CB-CD2 4.42Å; L254-W256 HydrophobicContact CB-CG 4.41Å; L254-W256 HydrophobicContact CB-CZ2 4.35Å; L254-W256 HydrophobicContact CD1-CZ2 4.06Å; L254-W256 HydrophobicContact CD2-CH2 4.03Å; L254-W256 HydrophobicContact CD2-CZ2 3.39Å; L254-W256 HydrophobicContact CG-CZ2 4.12Å; L254-W256 PolarHBondContact O-N 3.02Å
257	F	52.5	Low	54.2	Low	53 Å²	53	105.4 Å²	105.4	23%	0.232	55%	0.546	C	S	.	.			trans	-142.3	15.6	-160	-54.3	-62	0	0	0	116.8	R60 Q64 M67 I68 W93	R60-F257 PolarHBondContact NH2-O 2.96Å; Q64-F257 VanDerWaalsContact NE2-CE1 3.32Å; M67-F257 HydrophobicContact CB-CE1 4.27Å; M67-F257 HydrophobicContact CE-CD1 3.62Å; M67-F257 HydrophobicContact CE-CE1 4Å; I68-F257 HydrophobicContact CD1-CE2 4.16Å; I68-F257 HydrophobicContact CD1-CZ 4.48Å; I68-F257 HydrophobicContact CG1-CE1 4.49Å; I68-F257 HydrophobicContact CG1-CE2 3.71Å; I68-F257 HydrophobicContact CG1-CZ 3.57Å; W93-F257 HydrophobicContact CB-CE1 4.11Å; W93-F257 HydrophobicContact CG-CE1 4.25Å
258	K	40.9	Very low	51.6	Low	200 Å²	200	110.4 Å²	110.4	87%	0.87	57%	0.565	S	S	*	*			trans	-73.1	0	176.8	-89.5	-169.3	174.3	172.2	0	111.7	Y255	Y255-K258 HydrophobicContact CD1-CD 3.52Å; Y255-K258 HydrophobicContact CD1-CG 3.92Å; Y255-K258 HydrophobicContact CE1-CD 3.58Å; Y255-K258 HydrophobicContact CE1-CG 4.35Å; Y255-K258 HydrophobicContact CG-CD 4.48Å; Y255-K258 PolarHBondContact OH-NZ 3.16Å

Retrieved 258 of 258 residues in 215.5 ms (Link to these results)

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