A0A087XBD3_POEFO Loading...

Carboxylic ester hydrolase

AlphaFold DB , UniProt , Accession A0A087XBD3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 584 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	33.6	Very low	30.3	Very low	235 Å²	235	150.5 Å²	150.5	100%	1.158	84%	0.837	S	S	*	*				0	97.4	0	-98.4	167.2	166.5	0	0	106.8
2	L	25.9	Very low	30.2	Very low	139 Å²	139	152.7 Å²	152.7	73%	0.728	83%	0.832	S	S	*	*				77.4	124.4	78.4	-97.7	160.3	0	0	0	113.5
3	W	26.6	Very low	30.3	Very low	211 Å²	211	151.2 Å²	151.2	80%	0.799	82%	0.821	S	S	*	*			trans	78.4	123.1	165.1	-54	99.3	0	0	0	116.7	V5	W3-V5 HydrophobicContact CE3-CG2 4.2Å; W3-V5 HydrophobicContact CZ3-CG2 4.47Å
4	R	27	Very low	30.3	Very low	235 Å²	235	149.5 Å²	149.5	89%	0.887	82%	0.818	S	S	*	*			cis	63.6	136.1	28.7	-132.4	-172.9	-161.2	-151.5	5.2	115.3
5	V	33.9	Very low	30.6	Very low	116 Å²	116	148.7 Å²	148.7	70%	0.703	82%	0.819	S	S	*	*			trans	108.9	134.1	162.9	-178.5	0	0	0	0	113.4	W3	W3-V5 HydrophobicContact CE3-CG2 4.2Å; W3-V5 HydrophobicContact CZ3-CG2 4.47Å
6	C	32.4	Very low	30.9	Very low	120 Å²	120	148 Å²	148	81%	0.811	82%	0.821	S	S	*	*			cis	-171.4	162.2	-20.7	-101.2	0	0	0	0	108.6
7	G	30.3	Very low	31.3	Very low	83 Å²	83	147.9 Å²	147.9	86%	0.856	82%	0.819	S	S	*	*			trans	94.4	127.6	150.6	0	0	0	0	0	115.3
8	G	31.5	Very low	31.8	Very low	71 Å²	71	150.8 Å²	150.8	73%	0.732	83%	0.825	S	S	*	*			cis	146.7	119.5	3.6	0	0	0	0	0	108.5
9	Q	30.8	Very low	32.2	Very low	203 Å²	203	151.7 Å²	151.7	95%	0.949	82%	0.822	S	S	*	*			trans	150.8	141	139.9	-88.6	-171.8	-40.6	0	0	113.4
10	V	31.9	Very low	33	Very low	119 Å²	119	150.2 Å²	150.2	72%	0.721	82%	0.821	S	S	*	*			trans	-84.5	147.8	-173.6	171.8	0	0	0	0	110.6	F12	V10-F12 HydrophobicContact CG1-CD2 4.45Å
11	S	29.1	Very low	33.9	Very low	124 Å²	124	147.4 Å²	147.4	87%	0.867	81%	0.808	S	S	*	*			trans	-175.1	143.7	136.5	-76.1	0	0	0	0	112.5
12	F	29.1	Very low	34.7	Very low	176 Å²	176	139.4 Å²	139.4	77%	0.772	78%	0.779	S	S	*	*			trans	-97.6	149.9	-164.9	-86.7	-87.8	0	0	0	115.1	V10	V10-F12 HydrophobicContact CG1-CD2 4.45Å
13	I	32.2	Very low	35.9	Very low	134 Å²	134	140.5 Å²	140.5	69%	0.687	78%	0.78	S	S	*	*			trans	58.4	119.1	135.6	-55.3	159.4	0	0	0	120.6
14	T	29.7	Very low	37.3	Very low	127 Å²	127	134.7 Å²	134.7	78%	0.779	77%	0.772	S	S	*	*				178.4	120.7	102.9	23.8	0	0	0	0	110
15	T	34.3	Very low	38.6	Very low	137 Å²	137	126.5 Å²	126.5	84%	0.84	75%	0.75	S	S	*	*			trans	-127.8	121	162.7	44.6	0	0	0	0	108
16	T	36.8	Very low	40.2	Very low	138 Å²	138	125.4 Å²	125.4	85%	0.847	74%	0.74	S	S	*	*			trans	-85.3	117.2	173.8	43	0	0	0	0	109.7
17	D	36.7	Very low	41.8	Very low	146 Å²	146	126 Å²	126	78%	0.781	73%	0.734	S	S	*	*			trans	-112.8	130.1	167.7	-89.9	-32.4	0	0	0	110.4
18	H	40.1	Very low	43.7	Very low	200 Å²	200	126.7 Å²	126.7	93%	0.926	72%	0.721	S	S	*	*			trans	-79.4	126.1	176	-83.5	-48.5	0	0	0	111.3
19	H	40.4	Very low	45.7	Very low	169 Å²	169	128.2 Å²	128.2	78%	0.782	71%	0.712	S	S	*	*			trans	-89.5	131.2	176.9	-81.2	-68.4	0	0	0	113.4	V21	H19-V21 HydrophobicContact CB-CG2 4.29Å
20	P	46.9	Very low	47.6	Very low	121 Å²	121	124 Å²	124	79%	0.786	69%	0.693	S	S	*	*			trans	-101.3	74	165.4	36.6	-26.4	0	0	0	110.1
21	V	51.6	Low	49.5	Very low	92 Å²	92	123.7 Å²	123.7	56%	0.558	69%	0.687	S	S	*	*			trans	-113.4	-19.6	179.1	-176.1	0	0	0	0	112.3	H19	H19-V21 HydrophobicContact CB-CG2 4.29Å
22	A	50.8	Low	51.6	Low	67 Å²	67	119.7 Å²	119.7	55%	0.554	67%	0.665	S	S	*	*	H	α-helix	trans	-72.5	-32.8	-173.2	0	0	0	0	0	114.7	I26	A22-I26 WeakPolarHBondContact O-CD1 3.38Å; A22-I26 VanDerWaalsContact O-CG1 3.31Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 3.08Å
23	H	50.7	Low	53.9	Low	162 Å²	162	116.1 Å²	116.1	75%	0.75	65%	0.653	S	S	*	*	H	α-helix	trans	-72.8	-33.3	-173.2	-78.5	-55.7	0	0	0	114.4	L27	H23-L27 PolarHBondContact O-N 3.18Å
24	S	56.1	Low	55.9	Low	88 Å²	88	115.1 Å²	115.1	62%	0.615	65%	0.649	S	S	*	*	H	α-helix	trans	-72.1	-39.8	-179.1	-164	0	0	0	0	111.8	I26 L27 V28	S24-I26 PolarHBondContact O-N 3.07Å; S24-L27 PolarHBondContact O-N 3.24Å; S24-V28 WeakPolarHBondContact O-CG2 3.31Å; S24-V28 PolarHBondContact O-N 3.06Å; S24-V28 VanDerWaalsContact O-N 3.11Å
25	S	56.2	Low	58	Low	63 Å²	63	113.1 Å²	113.1	44%	0.441	64%	0.636	S	S	.	*	H	α-helix	trans	-65.3	-38.3	177	-54	0	0	0	0	112.6	V28 I29	S25-V28 PolarHBondContact O-N 2.76Å; S25-I29 WeakPolarHBondContact O-CB 3.29Å; S25-I29 WeakPolarHBondContact O-CD1 3.44Å; S25-I29 WeakPolarHBondContact O-CG1 3.49Å; S25-I29 PolarHBondContact O-N 3.28Å
26	I	66.7	Low	59.5	Low	93 Å²	93	109 Å²	109	48%	0.477	62%	0.617	S	S	.	*	H	α-helix	trans	-66.2	-39.9	176.9	-66.6	166.9	0	0	0	110.9	A22 S24 I29 M30	A22-I26 WeakPolarHBondContact O-CD1 3.38Å; A22-I26 VanDerWaalsContact O-CG1 3.31Å; A22-I26 WeakPolarHBondContact O-CG1 3.43Å; A22-I26 PolarHBondContact O-N 3.08Å; S24-I26 PolarHBondContact O-N 3.07Å; I26-I29 PolarHBondContact O-N 3.27Å; I26-M30 HydrophobicContact CG2-CG 4.28Å; I26-M30 WeakPolarHBondContact O-CB 3.29Å; I26-M30 VanDerWaalsContact O-CG 3.24Å; I26-M30 WeakPolarHBondContact O-CG 3.37Å; I26-M30 PolarHBondContact O-N 3.04Å
27	L	66.3	Low	60.9	Low	132 Å²	132	104.4 Å²	104.4	69%	0.691	59%	0.592	S	S	*	*	H	α-helix	trans	-65.4	-41.2	178.4	-155.1	88.5	0	0	0	111.8	H23 S24 M30 L31	H23-L27 PolarHBondContact O-N 3.18Å; S24-L27 PolarHBondContact O-N 3.24Å; L27-M30 PolarHBondContact O-N 3.06Å; L27-L31 VanDerWaalsContact O-CB 3.32Å; L27-L31 WeakPolarHBondContact O-CB 3.48Å; L27-L31 PolarHBondContact O-N 2.83Å
28	V	69.5	Low	62.1	Low	98 Å²	98	100 Å²	100	59%	0.594	58%	0.576	S	S	*	*	H	α-helix	trans	-66.8	-40.2	176.6	173.6	0	0	0	0	111.3	S24 S25 L31 G32	S24-V28 WeakPolarHBondContact O-CG2 3.31Å; S24-V28 PolarHBondContact O-N 3.06Å; S24-V28 VanDerWaalsContact O-N 3.11Å; S25-V28 PolarHBondContact O-N 2.76Å; V28-L31 PolarHBondContact O-N 3.07Å; V28-G32 PolarHBondContact O-N 3.26Å
29	I	73.5	Confident	63.1	Low	104 Å²	104	94.8 Å²	94.8	53%	0.533	56%	0.558	S	S	.	*	H	α-helix	trans	-66.4	-44.6	175.5	-68.6	165	0	0	0	110.7	S25 I26 L31 G32 I33	S25-I29 WeakPolarHBondContact O-CB 3.29Å; S25-I29 WeakPolarHBondContact O-CD1 3.44Å; S25-I29 WeakPolarHBondContact O-CG1 3.49Å; S25-I29 PolarHBondContact O-N 3.28Å; I26-I29 PolarHBondContact O-N 3.27Å; I29-L31 PolarHBondContact O-N 3.24Å; I29-G32 PolarHBondContact O-N 3.42Å; I29-I33 HydrophobicContact CG2-CD1 3.74Å; I29-I33 HydrophobicContact CG2-CG1 4.39Å; I29-I33 WeakPolarHBondContact O-CB 3Å; I29-I33 VanDerWaalsContact O-CG1 3.25Å; I29-I33 WeakPolarHBondContact O-CG1 3.44Å; I29-I33 PolarHBondContact O-N 2.79Å
30	M	70.8	Confident	63.9	Low	113 Å²	113	94.1 Å²	94.1	56%	0.557	55%	0.553	S	S	*	*	H	α-helix	trans	-61.5	-42.8	175.9	-77.5	-76.1	-153.9	0	0	111.9	I26 L27 I33 L34	I26-M30 HydrophobicContact CG2-CG 4.28Å; I26-M30 WeakPolarHBondContact O-CB 3.29Å; I26-M30 VanDerWaalsContact O-CG 3.24Å; I26-M30 WeakPolarHBondContact O-CG 3.37Å; I26-M30 PolarHBondContact O-N 3.04Å; L27-M30 PolarHBondContact O-N 3.06Å; M30-I33 PolarHBondContact O-N 3.37Å; M30-L34 WeakPolarHBondContact O-CB 3.4Å; M30-L34 VanDerWaalsContact O-CG 3.27Å; M30-L34 WeakPolarHBondContact O-CG 3.31Å; M30-L34 PolarHBondContact O-N 3.15Å
31	L	73.1	Confident	64.2	Low	113 Å²	113	94.2 Å²	94.2	59%	0.592	55%	0.546	S	S	*	.	H	α-helix	trans	-65.1	-41.3	175.4	-167.6	72.5	0	0	0	111.1	L27 V28 I29 L34 V35	L27-L31 VanDerWaalsContact O-CB 3.32Å; L27-L31 WeakPolarHBondContact O-CB 3.48Å; L27-L31 PolarHBondContact O-N 2.83Å; V28-L31 PolarHBondContact O-N 3.07Å; I29-L31 PolarHBondContact O-N 3.24Å; L31-L34 PolarHBondContact O-N 3.13Å; L31-V35 WeakPolarHBondContact O-CB 3.44Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 3.48Å
32	G	72.3	Confident	64.4	Low	40 Å²	40	93.5 Å²	93.5	41%	0.412	54%	0.537	S	S	.	.	H	α-helix	trans	-61.9	-41.2	174.2	0	0	0	0	0	112.8	V28 I29 A36	V28-G32 PolarHBondContact O-N 3.26Å; I29-G32 PolarHBondContact O-N 3.42Å; G32-A36 WeakPolarHBondContact O-CB 3.4Å; G32-A36 PolarHBondContact O-N 2.94Å
33	I	77.6	Confident	64.4	Low	101 Å²	101	93.9 Å²	93.9	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-67.7	-40.9	175	-68.4	166.4	0	0	0	110.8	I29 M30 A36 A37	I29-I33 HydrophobicContact CG2-CD1 3.74Å; I29-I33 HydrophobicContact CG2-CG1 4.39Å; I29-I33 WeakPolarHBondContact O-CB 3Å; I29-I33 VanDerWaalsContact O-CG1 3.25Å; I29-I33 WeakPolarHBondContact O-CG1 3.44Å; I29-I33 PolarHBondContact O-N 2.79Å; M30-I33 PolarHBondContact O-N 3.37Å; I33-A36 PolarHBondContact O-N 3.28Å; I33-A37 WeakPolarHBondContact O-CB 3.26Å; I33-A37 PolarHBondContact O-N 2.93Å
34	L	73.5	Confident	64.5	Low	114 Å²	114	92 Å²	92	60%	0.597	54%	0.54	S	S	*	.	H	α-helix	trans	-66.1	-41.4	177.4	-77.6	165.7	0	0	0	112.1	M30 L31 A37 A38	M30-L34 WeakPolarHBondContact O-CB 3.4Å; M30-L34 VanDerWaalsContact O-CG 3.27Å; M30-L34 WeakPolarHBondContact O-CG 3.31Å; M30-L34 PolarHBondContact O-N 3.15Å; L31-L34 PolarHBondContact O-N 3.13Å; L34-A37 PolarHBondContact O-N 2.93Å; L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 3.32Å
35	V	73.7	Confident	64.6	Low	84 Å²	84	91.1 Å²	91.1	51%	0.509	53%	0.534	S	S	.	.	H	α-helix	trans	-66.7	-44.6	174.5	172	0	0	0	0	110.3	L31 A37 A38 V39	L31-V35 WeakPolarHBondContact O-CB 3.44Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 3.48Å; V35-A37 VanDerWaalsContact C-N 3.35Å; V35-A37 PolarHBondContact O-N 3.35Å; V35-A38 PolarHBondContact O-N 2.95Å; V35-V39 HydrophobicContact CG1-CG2 4.49Å; V35-V39 WeakPolarHBondContact O-CB 3.21Å; V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.23Å; V35-V39 PolarHBondContact O-N 2.99Å
36	A	66.7	Low	65.2	Low	52 Å²	52	90.5 Å²	90.5	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-63.2	-40.3	176.2	0	0	0	0	0	112.1	G32 I33 V39 F40	G32-A36 WeakPolarHBondContact O-CB 3.4Å; G32-A36 PolarHBondContact O-N 2.94Å; I33-A36 PolarHBondContact O-N 3.28Å; A36-V39 PolarHBondContact O-N 2.83Å; A36-F40 WeakPolarHBondContact O-CB 3.5Å; A36-F40 PolarHBondContact O-N 3.06Å
37	A	66.2	Low	65.9	Low	41 Å²	41	88 Å²	88	34%	0.339	52%	0.52	S	S	.	.	H	α-helix	trans	-67.9	-39.9	176.1	0	0	0	0	0	111.8	I33 L34 V35 F40 L41	I33-A37 WeakPolarHBondContact O-CB 3.26Å; I33-A37 PolarHBondContact O-N 2.93Å; L34-A37 PolarHBondContact O-N 2.93Å; V35-A37 VanDerWaalsContact C-N 3.35Å; V35-A37 PolarHBondContact O-N 3.35Å; A37-F40 PolarHBondContact O-N 3.14Å; A37-L41 VanDerWaalsContact O-CB 3.27Å; A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 WeakPolarHBondContact O-CD1 3.43Å; A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 2.94Å
38	A	61.3	Low	67.1	Low	54 Å²	54	83.7 Å²	83.7	45%	0.446	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-42.1	174.5	0	0	0	0	0	111.8	L34 V35 L41 E42	L34-A38 VanDerWaalsContact O-CB 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.47Å; L34-A38 PolarHBondContact O-N 3.32Å; V35-A38 PolarHBondContact O-N 2.95Å; A38-L41 PolarHBondContact O-N 3.03Å; A38-E42 PolarHBondContact O-N 3.42Å
39	V	61.4	Low	68.2	Low	89 Å²	89	81 Å²	81	54%	0.539	48%	0.483	S	S	.	.	H	α-helix	trans	-66	-39.6	174.5	172.6	0	0	0	0	111.3	V35 A36 A43	V35-V39 HydrophobicContact CG1-CG2 4.49Å; V35-V39 WeakPolarHBondContact O-CB 3.21Å; V35-V39 VanDerWaalsContact O-CG2 3.25Å; V35-V39 WeakPolarHBondContact O-CG2 3.23Å; V35-V39 PolarHBondContact O-N 2.99Å; A36-V39 PolarHBondContact O-N 2.83Å; V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 3.05Å
40	F	56.8	Low	69.2	Low	155 Å²	155	77.5 Å²	77.5	68%	0.68	47%	0.472	S	S	*	.	H	α-helix	trans	-67.7	-41.4	174.8	-106.4	-87.4	0	0	0	112.5	A36 A37 A43 V44	A36-F40 WeakPolarHBondContact O-CB 3.5Å; A36-F40 PolarHBondContact O-N 3.06Å; A37-F40 PolarHBondContact O-N 3.14Å; F40-A43 PolarHBondContact O-N 3.33Å; F40-V44 VanDerWaalsContact O-CG2 3.23Å; F40-V44 WeakPolarHBondContact O-CG2 3.35Å; F40-V44 PolarHBondContact O-N 2.69Å
41	L	54	Low	70.5	Confident	123 Å²	123	76.4 Å²	76.4	64%	0.644	47%	0.468	S	S	*	.	H	α-helix	trans	-64.6	-40.2	176.2	-86.9	152.6	0	0	0	111.5	A37 A38 V44 S45	A37-L41 VanDerWaalsContact O-CB 3.27Å; A37-L41 WeakPolarHBondContact O-CB 3.45Å; A37-L41 WeakPolarHBondContact O-CD1 3.43Å; A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 2.94Å; A38-L41 PolarHBondContact O-N 3.03Å; L41-V44 PolarHBondContact O-N 2.85Å; L41-S45 PolarHBondContact O-N 3.42Å; L41-S45 VanDerWaalsContact O-N 3.17Å; L41-S45 PolarHBondContact O-OG 3.37Å
42	E	54.5	Low	71.7	Confident	78 Å²	78	71.3 Å²	71.3	36%	0.364	44%	0.441	S	S	.	.	H	α-helix	trans	-65.7	-38.9	171.7	-80.3	-160.2	166.2	0	0	112.7	A38 V44 S45 R65	A38-E42 PolarHBondContact O-N 3.42Å; E42-V44 VanDerWaalsContact C-N 3.25Å; E42-V44 PolarHBondContact O-N 3.05Å; E42-S45 WeakPolarHBondContact CA-OG 3.46Å; E42-S45 PolarHBondContact O-N 2.61Å; E42-S45 PolarHBondContact O-OG 3.46Å; E42-R65 IonicContact OE2-CZ 2.79Å; E42-R65 IonicContact OE2-NH2 2.66Å; E42-R65 PolarHBondContact OE2-NH2 2.89Å
43	A	51.1	Low	72.9	Confident	75 Å²	75	74.8 Å²	74.8	62%	0.62	45%	0.45	S	S	*	.	H	α-helix	trans	-66.6	-28.1	177	0	0	0	0	0	112.6	V39 F40	V39-A43 WeakPolarHBondContact O-CB 3.33Å; V39-A43 PolarHBondContact O-N 3.05Å; F40-A43 PolarHBondContact O-N 3.33Å
44	V	52.4	Low	73.9	Confident	123 Å²	123	70.7 Å²	70.7	75%	0.745	43%	0.43	S	S	*	.	H	α-helix	trans	-82.1	-17.1	175.5	175	0	0	0	0	112	F40 L41 E42	F40-V44 VanDerWaalsContact O-CG2 3.23Å; F40-V44 WeakPolarHBondContact O-CG2 3.35Å; F40-V44 PolarHBondContact O-N 2.69Å; L41-V44 PolarHBondContact O-N 2.85Å; E42-V44 VanDerWaalsContact C-N 3.25Å; E42-V44 PolarHBondContact O-N 3.05Å
45	S	58.5	Low	75.1	Confident	69 Å²	69	69.4 Å²	69.4	48%	0.483	42%	0.421	S	S	.	.			trans	-108.1	37.5	-178.6	73.8	0	0	0	0	113.9	L41 E42 N47	L41-S45 PolarHBondContact O-N 3.42Å; L41-S45 VanDerWaalsContact O-N 3.17Å; L41-S45 PolarHBondContact O-OG 3.37Å; E42-S45 WeakPolarHBondContact CA-OG 3.46Å; E42-S45 PolarHBondContact O-N 2.61Å; E42-S45 PolarHBondContact O-OG 3.46Å; S45-N47 PolarHBondContact O-N 2.95Å
46	A	68.7	Low	76.2	Confident	50 Å²	50	65.9 Å²	65.9	41%	0.413	40%	0.402	S	S	.	.			trans	-66.3	106.1	170.9	0	0	0	0	0	109.1	S48	A46-S48 PolarHBondContact O-N 3.06Å
47	N	82.3	Confident	77.6	Confident	39 Å²	39	64.5 Å²	64.5	21%	0.209	39%	0.392	C	S	.	.			trans	-63.1	107.9	172.6	-73.3	-44.2	0	0	0	108.3	S45 N63 H71 H134 S137 L138	S45-N47 PolarHBondContact O-N 2.95Å; N47-N63 PolarHBondContact O-ND2 3.44Å; N47-H71 WeakPolarHBondContact O-CB 3.34Å; N47-H134 HydrophobicContact CB-CB 3.77Å; N47-H134 PolarHBondContact O-CD2 3Å; N47-S137 PolarHBondContact ND2-N 2.92Å; N47-L138 HydrophobicContact CB-CD2 4.14Å
48	S	90.5	Very high	79.2	Confident	42 Å²	42	63.1 Å²	63.1	29%	0.294	38%	0.381	S	S	.	.			trans	-148	142.6	176.7	-177.9	0	0	0	0	109.7	A46 G50 N63 D73	A46-S48 PolarHBondContact O-N 3.06Å; S48-G50 PolarHBondContact OG-N 2.82Å; S48-N63 WeakPolarHBondContact CB-ND2 3.28Å; S48-D73 WeakPolarHBondContact CA-OD2 3.4Å; S48-D73 PolarHBondContact OG-OD1 3.18Å; S48-D73 PolarHBondContact OG-OD2 3.22Å
49	L	93.7	Very high	81	Confident	43 Å²	43	60.6 Å²	60.6	23%	0.225	36%	0.36	C	S	.	.			trans	-67.5	-24.8	170.5	-60.1	172.2	0	0	0	112.2	I51 V52 D73 F75 V132 F225	L49-I51 PolarHBondContact O-N 3.37Å; L49-V52 HydrophobicContact CB-CG2 3.75Å; L49-V52 HydrophobicContact CD1-CG2 4.04Å; L49-D73 WeakPolarHBondContact CA-OD2 3.49Å; L49-D73 WeakPolarHBondContact CB-OD2 3.33Å; L49-D73 VanDerWaalsContact CG-OD2 3.28Å; L49-D73 WeakPolarHBondContact CG-OD2 3.33Å; L49-D73 PolarHBondContact N-OD2 3.42Å; L49-F75 HydrophobicContact CD1-CE2 4.34Å; L49-F75 HydrophobicContact CD1-CZ 4.37Å; L49-V132 HydrophobicContact CD1-CB 4.46Å; L49-V132 HydrophobicContact CD1-CG1 4.18Å; L49-V132 HydrophobicContact CD1-CG2 4.33Å; L49-F225 HydrophobicContact CD1-CB 4.43Å
50	G	94.4	Very high	82.7	Confident	29 Å²	29	59.1 Å²	59.1	30%	0.299	35%	0.347	S	S	.	.			trans	64.5	-113.8	-175.6	0	0	0	0	0	112.4	S48	S48-G50 PolarHBondContact OG-N 2.82Å
51	I	97.7	Very high	84.7	Confident	91 Å²	91	52.5 Å²	52.5	47%	0.467	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.5	177.4	-62.1	175.4	0	0	0	108.9	L49 A58 V59 Q60 T99	L49-I51 PolarHBondContact O-N 3.37Å; I51-A58 HydrophobicContact CG2-CB 3.71Å; I51-V59 WeakPolarHBondContact CA-O 3.43Å; I51-Q60 HydrophobicContact CG1-CB 4.46Å; I51-Q60 HydrophobicContact CG1-CG 4.5Å; I51-T99 HydrophobicContact CD1-CG2 4.42Å; I51-T99 HydrophobicContact CG1-CG2 4.32Å; I51-T99 HydrophobicContact CG2-CG2 4.16Å
52	V	98.3	Very high	86.7	Confident	6 Å²	6	50.6 Å²	50.6	4%	0.036	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.7	-179.6	-177.5	0	0	0	0	110.1	L49 A58 V59 F75 S224 F225	L49-V52 HydrophobicContact CB-CG2 3.75Å; L49-V52 HydrophobicContact CD1-CG2 4.04Å; V52-A58 CarbonylContact O-C 3.31Å; V52-A58 WeakPolarHBondContact O-CA 3.47Å; V52-V59 HydrophobicContact CB-CG2 3.95Å; V52-V59 PolarHBondContact N-O 3.36Å; V52-V59 PolarHBondContact O-N 2.76Å; V52-F75 HydrophobicContact CB-CE1 4.41Å; V52-F75 HydrophobicContact CG2-CE1 3.95Å; V52-F75 HydrophobicContact CG2-CZ 3.64Å; V52-S224 WeakPolarHBondContact CG1-O 3.14Å; V52-F225 HydrophobicContact CB-CD1 4.4Å; V52-F225 HydrophobicContact CB-CE1 4Å; V52-F225 HydrophobicContact CB-CZ 4.19Å; V52-F225 HydrophobicContact CG1-CD1 3.94Å; V52-F225 HydrophobicContact CG1-CD2 3.93Å; V52-F225 HydrophobicContact CG1-CE1 3.73Å; V52-F225 HydrophobicContact CG1-CE2 3.73Å; V52-F225 HydrophobicContact CG1-CG 4.04Å; V52-F225 HydrophobicContact CG1-CZ 3.63Å; V52-F225 HydrophobicContact CG2-CD1 4.22Å; V52-F225 HydrophobicContact CG2-CE1 4.18Å
53	N	98.3	Very high	88.8	Confident	112 Å²	112	49.6 Å²	49.6	60%	0.599	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.7	176.5	-67.8	-44.5	0	0	0	111.1	S224	N53-S224 VanDerWaalsContact O-CB 3.25Å; N53-S224 WeakPolarHBondContact O-CB 3.4Å; N53-S224 PolarHBondContact O-OG 2.98Å
54	T	98.5	Very high	90.9	Very high	16 Å²	16	48.3 Å²	48.3	10%	0.098	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	171.2	174.7	76.2	0	0	0	0	110.1	G56 G57 V59 W217 N221 F225	T54-G56 PolarHBondContact O-N 3.46Å; T54-G56 VanDerWaalsContact O-N 3.15Å; T54-G56 PolarHBondContact OG1-N 2.84Å; T54-G57 PolarHBondContact N-O 3.2Å; T54-G57 PolarHBondContact O-N 2.71Å; T54-G57 VanDerWaalsContact O-N 3.12Å; T54-G57 PolarHBondContact OG1-N 2.96Å; T54-G57 PolarHBondContact OG1-O 3.04Å; T54-V59 HydrophobicContact CG2-CG1 4.11Å; T54-V59 HydrophobicContact CG2-CG2 4.03Å; T54-W217 HydrophobicContact CG2-CH2 4.27Å; T54-W217 HydrophobicContact CG2-CZ2 3.87Å; T54-N221 WeakPolarHBondContact CA-OD1 3.27Å; T54-F225 HydrophobicContact CG2-CE2 3.95Å; T54-F225 HydrophobicContact CG2-CZ 3.88Å
55	E	97.5	Very high	92.9	Very high	86 Å²	86	49.4 Å²	49.4	40%	0.402	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.7	175	70.8	179.5	-171.4	0	0	113.8	R220 N221	E55-R220 IonicContact OE1-CZ 3.88Å; E55-R220 IonicContact OE1-NE 3.33Å; E55-R220 IonicContact OE1-NH2 3.58Å; E55-R220 PolarHBondContact OE1-NH2 2.75Å; E55-R220 IonicContact OE2-CZ 3.59Å; E55-R220 IonicContact OE2-NE 2.61Å; E55-R220 PolarHBondContact OE2-NE 2.95Å; E55-R220 IonicContact OE2-NH2 2.7Å; E55-R220 PolarHBondContact OE2-NH2 2.61Å; E55-N221 PolarHBondContact N-OD1 2.9Å
56	G	96.6	Very high	94.5	Very high	10 Å²	10	47.8 Å²	47.8	10%	0.103	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-8.4	178.8	0	0	0	0	0	114.5	T54 G95 W96	T54-G56 PolarHBondContact O-N 3.46Å; T54-G56 VanDerWaalsContact O-N 3.15Å; T54-G56 PolarHBondContact OG1-N 2.84Å; G56-G95 CarbonylContact O-C 3.27Å; G56-G95 WeakPolarHBondContact O-CA 3.34Å; G56-W96 PolarHBondContact O-N 2.95Å
57	G	97.9	Very high	95.6	Very high	23 Å²	23	46.4 Å²	46.4	24%	0.237	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	130.8	-177.7	-173.7	0	0	0	0	0	113	T54	T54-G57 PolarHBondContact N-O 3.2Å; T54-G57 PolarHBondContact O-N 2.71Å; T54-G57 VanDerWaalsContact O-N 3.12Å; T54-G57 PolarHBondContact OG1-N 2.96Å; T54-G57 PolarHBondContact OG1-O 3.04Å
58	A	98.6	Very high	95.8	Very high	13 Å²	13	49.6 Å²	49.6	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.9	-178.3	0	0	0	0	0	111.4	I51 V52 W96 T99 L100	I51-A58 HydrophobicContact CG2-CB 3.71Å; V52-A58 CarbonylContact O-C 3.31Å; V52-A58 WeakPolarHBondContact O-CA 3.47Å; A58-W96 PolarHBondContact O-NE1 3.47Å; A58-T99 HydrophobicContact CB-CG2 4.3Å; A58-T99 CarbonylContact O-C 3.53Å; A58-T99 WeakPolarHBondContact O-CA 3.29Å; A58-L100 PolarHBondContact O-N 3.02Å
59	V	98.8	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.9	173	-57.2	0	0	0	0	111	I51 V52 T54 F75 I78 W96 L100 T102 F225	I51-V59 WeakPolarHBondContact CA-O 3.43Å; V52-V59 HydrophobicContact CB-CG2 3.95Å; V52-V59 PolarHBondContact N-O 3.36Å; V52-V59 PolarHBondContact O-N 2.76Å; T54-V59 HydrophobicContact CG2-CG1 4.11Å; T54-V59 HydrophobicContact CG2-CG2 4.03Å; V59-F75 HydrophobicContact CG2-CD1 3.92Å; V59-F75 HydrophobicContact CG2-CE1 4.01Å; V59-I78 HydrophobicContact CG1-CG1 4.36Å; V59-I78 HydrophobicContact CG1-CG2 4.42Å; V59-I78 HydrophobicContact CG2-CD1 4.49Å; V59-W96 HydrophobicContact CG1-CH2 4.1Å; V59-W96 HydrophobicContact CG1-CZ2 3.45Å; V59-W96 VanDerWaalsContact CG1-CZ2 3.45Å; V59-L100 CarbonylContact C-O 3.04Å; V59-L100 WeakPolarHBondContact CA-O 3.49Å; V59-L100 HydrophobicContact CG1-CB 4.43Å; V59-T102 HydrophobicContact CB-CG2 4.13Å; V59-T102 HydrophobicContact CG1-CG2 4.22Å; V59-F225 HydrophobicContact CG2-CE1 4.1Å; V59-F225 HydrophobicContact CG2-CZ 3.87Å
60	Q	98.5	Very high	95.7	Very high	58 Å²	58	51 Å²	51	27%	0.271	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	119.9	173.6	-174	176.1	23.3	0	0	110.6	I51 T99 L100 K101 T102	I51-Q60 HydrophobicContact CG1-CB 4.46Å; I51-Q60 HydrophobicContact CG1-CG 4.5Å; Q60-T99 HydrophobicContact CB-CG2 3.7Å; Q60-L100 PolarHBondContact N-O 3.13Å; Q60-K101 HydrophobicContact CB-CD 4.45Å; Q60-T102 PolarHBondContact O-N 3.01Å; Q60-T102 PolarHBondContact O-OG1 3.39Å
61	G	97.8	Very high	95.8	Very high	17 Å²	17	50.6 Å²	50.6	18%	0.175	27%	0.272	C	S	.	.			trans	-94.2	-157.8	174.8	0	0	0	0	0	113.1	V74 F75	G61-V74 CarbonylContact C-O 3.57Å; G61-V74 VanDerWaalsContact CA-O 3.25Å; G61-V74 WeakPolarHBondContact CA-O 3.27Å; G61-F75 VanDerWaalsContact N-CE1 3.3Å
62	E	97.2	Very high	95.8	Very high	83 Å²	83	46.3 Å²	46.3	39%	0.388	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140	175.4	-56.2	-177.3	142.2	0	0	109.9	D73 V74 T103	E62-D73 CarbonylContact O-C 3.57Å; E62-D73 WeakPolarHBondContact O-CA 3.31Å; E62-V74 PolarHBondContact N-O 3.39Å; E62-V74 PolarHBondContact O-N 2.86Å; E62-T103 HydrophobicContact CG-CG2 3.55Å
63	N	96.7	Very high	95.8	Very high	56 Å²	56	46.1 Å²	46.1	30%	0.299	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.8	168.7	-172.5	-100.9	0	0	0	109.4	N47 S48 H71 M72 D73	N47-N63 PolarHBondContact O-ND2 3.44Å; S48-N63 WeakPolarHBondContact CB-ND2 3.28Å; N63-H71 PolarHBondContact OD1-ND1 3.48Å; N63-M72 CarbonylContact C-O 3.02Å; N63-M72 WeakPolarHBondContact CA-O 3.28Å; N63-D73 VanDerWaalsContact CB-OD1 3.31Å; N63-D73 WeakPolarHBondContact CB-OD1 3.26Å; N63-D73 PolarHBondContact ND2-OD1 3.14Å
64	I	95.6	Very high	95.8	Very high	48 Å²	48	41 Å²	41	25%	0.246	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.6	176.7	63.7	172.7	0	0	0	110.5	L66 H71 M72 V74	I64-L66 HydrophobicContact CD1-CD2 3.82Å; I64-L66 HydrophobicContact CG1-CD2 4.04Å; I64-H71 CarbonylContact O-C 3.59Å; I64-H71 VanDerWaalsContact O-CA 3.28Å; I64-H71 WeakPolarHBondContact O-CA 3.35Å; I64-M72 HydrophobicContact CD1-CB 4.34Å; I64-M72 HydrophobicContact CD1-SD 4.38Å; I64-M72 HydrophobicContact CG1-CB 3.86Å; I64-M72 HydrophobicContact CG1-CG 4.48Å; I64-M72 WeakPolarHBondContact CG1-O 3.46Å; I64-M72 PolarHBondContact N-O 3.23Å; I64-M72 PolarHBondContact O-N 3.26Å; I64-V74 HydrophobicContact CD1-CG2 4Å; I64-V74 HydrophobicContact CG1-CG2 4.22Å
65	R	94.7	Very high	95.9	Very high	147 Å²	147	40.3 Å²	40.3	56%	0.555	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.2	173.5	-174	178.7	-176.7	168.2	5.1	109.4	E42	E42-R65 IonicContact OE2-CZ 2.79Å; E42-R65 IonicContact OE2-NH2 2.66Å; E42-R65 PolarHBondContact OE2-NH2 2.89Å
66	L	93.1	Very high	95.9	Very high	35 Å²	35	38.4 Å²	38.4	18%	0.183	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-23.9	179.9	-52.2	171.3	0	0	0	112	I64 R70 M72 Q172 E176	I64-L66 HydrophobicContact CD1-CD2 3.82Å; I64-L66 HydrophobicContact CG1-CD2 4.04Å; L66-R70 HydrophobicContact CB-CB 4.16Å; L66-R70 PolarHBondContact N-O 3.31Å; L66-R70 PolarHBondContact O-NH2 2.98Å; L66-M72 HydrophobicContact CD1-CB 3.92Å; L66-M72 HydrophobicContact CD1-CE 3.75Å; L66-M72 HydrophobicContact CG-CB 4.38Å; L66-Q172 HydrophobicContact CD2-CG 4.39Å; L66-E176 HydrophobicContact CD1-CB 4.16Å; L66-E176 VanDerWaalsContact CD1-CD 3.5Å; L66-E176 HydrophobicContact CD1-CG 3.76Å
67	G	90.1	Very high	96	Very high	20 Å²	20	38 Å²	38	21%	0.206	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-167.9	176.3	0	0	0	0	0	111.1	G69 R70	G67-G69 PolarHBondContact O-N 2.94Å; G67-R70 PolarHBondContact N-O 3.12Å; G67-R70 PolarHBondContact O-N 3.14Å
68	T	88.1	Confident	96.1	Very high	106 Å²	106	36.9 Å²	36.9	65%	0.65	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	125.4	175.7	-52.7	0	0	0	0	110.5	R70	T68-R70 PolarHBondContact O-N 2.93Å; T68-R70 VanDerWaalsContact O-N 3.11Å
69	G	87.3	Confident	96.1	Very high	23 Å²	23	36.6 Å²	36.6	24%	0.237	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	4.5	-179.3	0	0	0	0	0	115.8	G67 N136	G67-G69 PolarHBondContact O-N 2.94Å; G69-N136 WeakPolarHBondContact O-CA 3.38Å; G69-N136 PolarHBondContact O-N 2.97Å
70	R	94	Very high	96.1	Very high	92 Å²	92	36.7 Å²	36.7	35%	0.347	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	116.3	-173.9	-63	-178.3	-58.5	136.6	16.5	111	L66 G67 T68 H134 I135 E176	L66-R70 HydrophobicContact CB-CB 4.16Å; L66-R70 PolarHBondContact N-O 3.31Å; L66-R70 PolarHBondContact O-NH2 2.98Å; G67-R70 PolarHBondContact N-O 3.12Å; G67-R70 PolarHBondContact O-N 3.14Å; T68-R70 PolarHBondContact O-N 2.93Å; T68-R70 VanDerWaalsContact O-N 3.11Å; R70-H134 WeakPolarHBondContact CA-O 3.39Å; R70-I135 HydrophobicContact CG-CG2 4.43Å; R70-E176 IonicContact CZ-OE1 2.77Å; R70-E176 IonicContact NH1-OE1 3.81Å; R70-E176 PolarHBondContact NH1-OE1 2.97Å; R70-E176 IonicContact NH2-OE1 2.7Å
71	H	96.6	Very high	96.1	Very high	21 Å²	21	34 Å²	34	10%	0.097	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	165	178.6	-70.3	-106.6	0	0	0	109.9	N47 N63 I64 H134	N47-H71 WeakPolarHBondContact O-CB 3.34Å; N63-H71 PolarHBondContact OD1-ND1 3.48Å; I64-H71 CarbonylContact O-C 3.59Å; I64-H71 VanDerWaalsContact O-CA 3.28Å; I64-H71 WeakPolarHBondContact O-CA 3.35Å; H71-H134 HydrophobicContact CB-CB 4.21Å; H71-H134 PolarHBondContact N-O 2.64Å; H71-H134 PolarHBondContact O-N 2.99Å
72	M	97.9	Very high	96	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	131	172.2	175.3	178.8	-54.3	0	0	110.6	N63 I64 L66 V74 W131 V132 P133 Q172 A175 E176	N63-M72 CarbonylContact C-O 3.02Å; N63-M72 WeakPolarHBondContact CA-O 3.28Å; I64-M72 HydrophobicContact CD1-CB 4.34Å; I64-M72 HydrophobicContact CD1-SD 4.38Å; I64-M72 HydrophobicContact CG1-CB 3.86Å; I64-M72 HydrophobicContact CG1-CG 4.48Å; I64-M72 WeakPolarHBondContact CG1-O 3.46Å; I64-M72 PolarHBondContact N-O 3.23Å; I64-M72 PolarHBondContact O-N 3.26Å; L66-M72 HydrophobicContact CD1-CB 3.92Å; L66-M72 HydrophobicContact CD1-CE 3.75Å; L66-M72 HydrophobicContact CG-CB 4.38Å; M72-V74 HydrophobicContact CG-CG2 3.87Å; M72-V74 HydrophobicContact SD-CG2 4.11Å; M72-W131 HydrophobicContact SD-CB 3.91Å; M72-W131 VanDerWaalsContact SD-CD1 3.59Å; M72-W131 HydrophobicContact SD-CG 4.16Å; M72-V132 VanDerWaalsContact CA-O 3.23Å; M72-V132 WeakPolarHBondContact CA-O 3.46Å; M72-V132 WeakPolarHBondContact CG-O 3.46Å; M72-P133 HydrophobicContact CE-CB 4.48Å; M72-Q172 HydrophobicContact CE-CG 3.95Å; M72-Q172 HydrophobicContact SD-CB 4.2Å; M72-Q172 HydrophobicContact SD-CG 3.93Å; M72-A175 HydrophobicContact CE-CB 4.03Å; M72-E176 HydrophobicContact CE-CB 3.88Å
73	D	98.6	Very high	95.9	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.3	165.6	-72.2	-30.7	0	0	0	110	S48 L49 E62 N63 F75 V132 H134	S48-D73 WeakPolarHBondContact CA-OD2 3.4Å; S48-D73 PolarHBondContact OG-OD1 3.18Å; S48-D73 PolarHBondContact OG-OD2 3.22Å; L49-D73 WeakPolarHBondContact CA-OD2 3.49Å; L49-D73 WeakPolarHBondContact CB-OD2 3.33Å; L49-D73 VanDerWaalsContact CG-OD2 3.28Å; L49-D73 WeakPolarHBondContact CG-OD2 3.33Å; L49-D73 PolarHBondContact N-OD2 3.42Å; E62-D73 CarbonylContact O-C 3.57Å; E62-D73 WeakPolarHBondContact O-CA 3.31Å; N63-D73 VanDerWaalsContact CB-OD1 3.31Å; N63-D73 WeakPolarHBondContact CB-OD1 3.26Å; N63-D73 PolarHBondContact ND2-OD1 3.14Å; D73-F75 HydrophobicContact CB-CD2 4.48Å; D73-F75 HydrophobicContact CB-CE2 3.62Å; D73-F75 HydrophobicContact CB-CZ 4.11Å; D73-V132 HydrophobicContact CB-CB 4.42Å; D73-V132 PolarHBondContact N-O 2.94Å; D73-V132 PolarHBondContact O-N 2.62Å; D73-H134 IonicContact OD2-CD2 4Å; D73-H134 IonicContact OD2-NE2 3.1Å; D73-H134 PolarHBondContact OD2-NE2 2.95Å
74	V	98.7	Very high	95.6	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120.1	-178.1	-173.7	0	0	0	0	108.9	G61 E62 I64 M72 K76 I130 W131	G61-V74 CarbonylContact C-O 3.57Å; G61-V74 VanDerWaalsContact CA-O 3.25Å; G61-V74 WeakPolarHBondContact CA-O 3.27Å; E62-V74 PolarHBondContact N-O 3.39Å; E62-V74 PolarHBondContact O-N 2.86Å; I64-V74 HydrophobicContact CD1-CG2 4Å; I64-V74 HydrophobicContact CG1-CG2 4.22Å; M72-V74 HydrophobicContact CG-CG2 3.87Å; M72-V74 HydrophobicContact SD-CG2 4.11Å; V74-K76 HydrophobicContact CG1-CD 4.41Å; V74-K76 HydrophobicContact CG1-CG 4.14Å; V74-I130 WeakPolarHBondContact CA-O 3.32Å; V74-W131 HydrophobicContact CG1-CG 4.49Å
75	F	98.9	Very high	95.5	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.2	176.7	-54.4	-101.6	0	0	0	108.3	L49 V52 V59 G61 D73 I78 T102 N129 I130 V132 F225	L49-F75 HydrophobicContact CD1-CE2 4.34Å; L49-F75 HydrophobicContact CD1-CZ 4.37Å; V52-F75 HydrophobicContact CB-CE1 4.41Å; V52-F75 HydrophobicContact CG2-CE1 3.95Å; V52-F75 HydrophobicContact CG2-CZ 3.64Å; V59-F75 HydrophobicContact CG2-CD1 3.92Å; V59-F75 HydrophobicContact CG2-CE1 4.01Å; G61-F75 VanDerWaalsContact N-CE1 3.3Å; D73-F75 HydrophobicContact CB-CD2 4.48Å; D73-F75 HydrophobicContact CB-CE2 3.62Å; D73-F75 HydrophobicContact CB-CZ 4.11Å; F75-I78 HydrophobicContact CB-CD1 3.68Å; F75-I78 HydrophobicContact CB-CG1 4.29Å; F75-I78 HydrophobicContact CG-CD1 4.31Å; F75-T102 CarbonylContact C-O 3.6Å; F75-T102 WeakPolarHBondContact CA-O 3.14Å; F75-T102 WeakPolarHBondContact CD1-OG1 3.34Å; F75-N129 CarbonylContact O-C 3.56Å; F75-N129 WeakPolarHBondContact O-CA 3.39Å; F75-N129 WeakPolarHBondContact O-CB 3.47Å; F75-I130 HydrophobicContact CB-CB 4.32Å; F75-I130 HydrophobicContact CD2-CB 4.29Å; F75-I130 PolarHBondContact N-O 2.58Å; F75-I130 PolarHBondContact O-N 2.87Å; F75-V132 HydrophobicContact CE2-CG2 4.36Å; F75-F225 AromaticContact CD1-CE1 3.96Å; F75-F225 HydrophobicContact CD1-CE1 3.96Å; F75-F225 AromaticContact CD2-CD1 4Å; F75-F225 HydrophobicContact CD2-CD1 4Å; F75-F225 AromaticContact CD2-CE1 3.88Å; F75-F225 HydrophobicContact CD2-CE1 3.88Å; F75-F225 AromaticContact CE1-CE1 3.93Å; F75-F225 HydrophobicContact CE1-CE1 3.93Å; F75-F225 AromaticContact CE2-CD1 3.72Å; F75-F225 HydrophobicContact CE2-CD1 3.72Å; F75-F225 AromaticContact CE2-CE1 3.85Å; F75-F225 HydrophobicContact CE2-CE1 3.85Å; F75-F225 AromaticContact CG-CE1 3.96Å; F75-F225 HydrophobicContact CG-CE1 3.96Å; F75-F225 HydrophobicContact CZ-CD1 4.02Å; F75-F225 AromaticContact CZ-CE1 3.9Å; F75-F225 HydrophobicContact CZ-CE1 3.9Å
76	K	98.8	Very high	95.5	Very high	46 Å²	46	26.5 Å²	26.5	20%	0.2	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.9	177.8	-62.5	168.7	-174	156.1	0	109.4	V74 T102 S104 F105 N129	V74-K76 HydrophobicContact CG1-CD 4.41Å; V74-K76 HydrophobicContact CG1-CG 4.14Å; K76-T102 PolarHBondContact N-O 2.94Å; K76-T102 CarbonylContact O-C 3.39Å; K76-T102 WeakPolarHBondContact O-CA 3.35Å; K76-T102 VanDerWaalsContact O-CB 3.24Å; K76-T102 WeakPolarHBondContact O-CB 3.42Å; K76-S104 CarbonylContact C-O 3.52Å; K76-S104 VanDerWaalsContact C-O 3.27Å; K76-S104 VanDerWaalsContact CB-C 3.43Å; K76-S104 WeakPolarHBondContact CB-O 3.3Å; K76-S104 VanDerWaalsContact O-O 3.05Å; K76-F105 HydrophobicContact CB-CD1 4.27Å; K76-F105 HydrophobicContact CD-CD1 4.4Å; K76-F105 HydrophobicContact CD-CD2 4.19Å; K76-F105 HydrophobicContact CD-CE1 4.22Å; K76-F105 HydrophobicContact CD-CE2 4Å; K76-F105 HydrophobicContact CD-CG 4.39Å; K76-F105 HydrophobicContact CD-CZ 4.02Å; K76-F105 HydrophobicContact CG-CD1 4.24Å; K76-F105 HydrophobicContact CG-CE1 4.03Å; K76-F105 HydrophobicContact CG-CZ 4.28Å; K76-N129 VanDerWaalsContact CA-OD1 3.29Å; K76-N129 WeakPolarHBondContact CA-OD1 3.47Å; K76-N129 HydrophobicContact CG-CB 4.44Å
77	G	98.6	Very high	95.7	Very high	2 Å²	2	25 Å²	25	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.1	38.5	175.3	0	0	0	0	0	115.8	Y127 L128 N129	G77-Y127 WeakPolarHBondContact O-CD1 3.48Å; G77-L128 PolarHBondContact N-O 2.89Å; G77-N129 PolarHBondContact N-OD1 3.11Å
78	I	98.9	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.9	170.1	-59.5	162.5	0	0	0	108.8	V59 F75 F80 T102 Y127 L128 I130 W217 F225	V59-I78 HydrophobicContact CG1-CG1 4.36Å; V59-I78 HydrophobicContact CG1-CG2 4.42Å; V59-I78 HydrophobicContact CG2-CD1 4.49Å; F75-I78 HydrophobicContact CB-CD1 3.68Å; F75-I78 HydrophobicContact CB-CG1 4.29Å; F75-I78 HydrophobicContact CG-CD1 4.31Å; I78-F80 PolarHBondContact O-N 2.91Å; I78-T102 HydrophobicContact CG1-CG2 3.71Å; I78-Y127 CarbonylContact O-C 3.57Å; I78-Y127 VanDerWaalsContact O-CA 3.24Å; I78-Y127 WeakPolarHBondContact O-CA 3.45Å; I78-L128 HydrophobicContact CB-CD1 3.9Å; I78-L128 HydrophobicContact CB-CG 4.43Å; I78-L128 HydrophobicContact CD1-CD1 4Å; I78-L128 HydrophobicContact CG1-CD1 4.48Å; I78-L128 HydrophobicContact CG2-CD1 4.44Å; I78-L128 PolarHBondContact N-O 3.31Å; I78-L128 PolarHBondContact O-N 3.24Å; I78-I130 HydrophobicContact CD1-CD1 3.66Å; I78-I130 HydrophobicContact CD1-CG1 4.12Å; I78-W217 HydrophobicContact CD1-CH2 4.27Å; I78-W217 HydrophobicContact CG2-CH2 3.98Å; I78-W217 HydrophobicContact CG2-CZ2 3.58Å; I78-F225 HydrophobicContact CD1-CE1 4.25Å; I78-F225 HydrophobicContact CD1-CZ 4.03Å
79	P	98.7	Very high	96.5	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.039	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.6	176.6	27.2	-30.8	0	0	0	110.3	W96 L100 Y127	P79-W96 HydrophobicContact CG-CE3 4.09Å; P79-W96 HydrophobicContact CG-CH2 4.29Å; P79-W96 HydrophobicContact CG-CZ3 3.59Å; P79-L100 HydrophobicContact CG-CD2 4.2Å; P79-Y127 HydrophobicContact CB-CD1 3.81Å; P79-Y127 HydrophobicContact CB-CE1 3.65Å; P79-Y127 HydrophobicContact CG-CD1 4.44Å; P79-Y127 HydrophobicContact CG-CE1 4.18Å
80	F	98.7	Very high	97	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.013	14%	0.14	C	C	.	.			trans	-99.2	-14.8	176.3	66.3	-101.4	0	0	0	112.8	I78 L126 L128 G186 D210 A213 A214 W217	I78-F80 PolarHBondContact O-N 2.91Å; F80-L126 VanDerWaalsContact CD1-O 3.31Å; F80-L126 WeakPolarHBondContact CD1-O 3.36Å; F80-L126 HydrophobicContact CE1-CB 4.04Å; F80-L126 HydrophobicContact CE2-CB 3.94Å; F80-L126 HydrophobicContact CE2-CD1 4.43Å; F80-L126 HydrophobicContact CZ-CB 3.65Å; F80-L126 HydrophobicContact CZ-CD2 4.01Å; F80-L126 HydrophobicContact CZ-CG 4.29Å; F80-L126 PolarHBondContact N-O 2.95Å; F80-L126 VanDerWaalsContact N-O 3.11Å; F80-L128 HydrophobicContact CB-CD2 3.74Å; F80-L128 HydrophobicContact CB-CG 4.35Å; F80-L128 HydrophobicContact CD1-CB 4.11Å; F80-L128 HydrophobicContact CD1-CD2 4.01Å; F80-L128 HydrophobicContact CD1-CG 4.15Å; F80-L128 HydrophobicContact CG-CD2 4.2Å; F80-G186 WeakPolarHBondContact CE1-O 3.38Å; F80-G186 VanDerWaalsContact CZ-O 3.23Å; F80-G186 WeakPolarHBondContact CZ-O 3.24Å; F80-D210 VanDerWaalsContact CE2-O 3.26Å; F80-D210 WeakPolarHBondContact CE2-O 3.47Å; F80-A213 HydrophobicContact CD2-CB 4.2Å; F80-A213 HydrophobicContact CE2-CB 4.17Å; F80-A214 HydrophobicContact CD1-CB 4.01Å; F80-A214 HydrophobicContact CD2-CB 3.81Å; F80-A214 HydrophobicContact CE1-CB 3.96Å; F80-A214 HydrophobicContact CE2-CB 3.78Å; F80-A214 HydrophobicContact CG-CB 3.93Å; F80-A214 HydrophobicContact CZ-CB 3.85Å; F80-W217 HydrophobicContact CB-CB 3.87Å; F80-W217 HydrophobicContact CB-CD2 4.3Å; F80-W217 HydrophobicContact CB-CG 3.74Å
81	A	98.5	Very high	97.2	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.017	15%	0.149	C	C	.	.	S	Bend	trans	-145.3	158.6	177.4	0	0	0	0	0	110.4	P90 K91 L126	A81-P90 HydrophobicContact CB-CB 4.03Å; A81-K91 CarbonylContact C-O 3.26Å; A81-K91 VanDerWaalsContact CA-O 3.27Å; A81-K91 WeakPolarHBondContact CA-O 3.35Å; A81-K91 VanDerWaalsContact CB-O 3.31Å; A81-K91 WeakPolarHBondContact CB-O 3.34Å; A81-L126 HydrophobicContact CB-CB 4.01Å; A81-L126 HydrophobicContact CB-CD1 3.64Å
82	A	97.1	Very high	97.2	Very high	27 Å²	27	35.1 Å²	35.1	22%	0.223	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-70.6	152.2	166.7	0	0	0	0	0	109.9	P84 K91	A82-P84 WeakPolarHBondContact O-CD 3.31Å; A82-K91 PolarHBondContact N-O 3.21Å
83	P	94.1	Very high	97.2	Very high	70 Å²	70	38 Å²	38	46%	0.455	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-52.4	116.3	170.1	-25.6	34.6	0	0	0	110.1	D124	P83-D124 HydrophobicContact CB-CB 4.36Å; P83-D124 HydrophobicContact CG-CB 4Å
84	P	90.8	Very high	97	Very high	19 Å²	19	43.6 Å²	43.6	12%	0.123	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-75	153.1	-175.2	29.6	-33.1	0	0	0	110.7	A82 L126	A82-P84 WeakPolarHBondContact O-CD 3.31Å; P84-L126 HydrophobicContact CG-CD1 3.99Å
85	G	93.2	Very high	96.9	Very high	30 Å²	30	44.3 Å²	44.3	31%	0.309	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-61.3	152.2	161.3	0	0	0	0	0	110.4	F87 E88	G85-F87 PolarHBondContact O-N 3.04Å; G85-E88 WeakPolarHBondContact O-CB 3.23Å; G85-E88 PolarHBondContact O-N 3.41Å
86	R	95.4	Very high	96.8	Very high	46 Å²	46	46.6 Å²	46.6	17%	0.174	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	130.8	177	-76.1	-174.7	-76.7	148.3	-21.6	110.6	E88 E123 L192 L300 R301 M302 T303	R86-E88 PolarHBondContact O-N 2.95Å; R86-E123 VanDerWaalsContact CD-OE1 3.27Å; R86-E123 WeakPolarHBondContact CD-OE1 3.45Å; R86-E123 WeakPolarHBondContact CG-OE1 3.21Å; R86-L192 HydrophobicContact CG-CD2 4.36Å; R86-L300 PolarHBondContact NH1-O 3.45Å; R86-R301 VanDerWaalsContact CZ-C 3.44Å; R86-R301 PolarHBondContact NE-O 3.36Å; R86-R301 PolarHBondContact NH1-O 2.71Å; R86-R301 PolarHBondContact NH2-O 3.34Å; R86-M302 VanDerWaalsContact NH2-C 3.26Å; R86-M302 PolarHBondContact NH2-O 3.03Å; R86-M302 VanDerWaalsContact NH2-O 3.16Å; R86-T303 PolarHBondContact NH1-O 2.89Å; R86-T303 PolarHBondContact NH2-O 3.21Å
87	F	96.6	Very high	96.7	Very high	5 Å²	5	52.3 Å²	52.3	2%	0.022	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	29.4	-175.6	-44.8	-50.5	0	0	0	113.4	G85 S191 L192 L195 M202 Y206 L300 R301 L308	G85-F87 PolarHBondContact O-N 3.04Å; F87-S191 WeakPolarHBondContact CE1-O 3.24Å; F87-L192 HydrophobicContact CE1-CD2 4.41Å; F87-L192 HydrophobicContact CZ-CD2 4.47Å; F87-L195 HydrophobicContact CE1-CB 4.08Å; F87-L195 HydrophobicContact CE1-CD2 4.27Å; F87-L195 HydrophobicContact CZ-CD2 4.02Å; F87-M202 HydrophobicContact CB-CG 4.48Å; F87-M202 HydrophobicContact CB-SD 4.44Å; F87-M202 HydrophobicContact CD2-SD 3.73Å; F87-M202 HydrophobicContact CE2-SD 4.19Å; F87-M202 HydrophobicContact CG-SD 4.07Å; F87-Y206 HydrophobicContact CB-CE1 4.2Å; F87-Y206 HydrophobicContact CB-CE2 3.81Å; F87-Y206 HydrophobicContact CD1-CD2 4.11Å; F87-Y206 AromaticContact CD1-CE2 3.6Å; F87-Y206 HydrophobicContact CD1-CE2 3.6Å; F87-Y206 HydrophobicContact CG-CE2 4.13Å; F87-Y206 WeakPolarHBondContact O-CE1 3.42Å; F87-L300 HydrophobicContact CE2-CB 3.78Å; F87-R301 HydrophobicContact CB-CG 4.47Å; F87-R301 HydrophobicContact CD2-CG 3.74Å; F87-L308 HydrophobicContact CE2-CD1 4.37Å; F87-L308 HydrophobicContact CZ-CD1 4.13Å
88	E	97.1	Very high	96.7	Very high	74 Å²	74	55.1 Å²	55.1	35%	0.346	31%	0.306	S	S	.	.	S	Bend	trans	-111.4	153.4	168.9	-61.8	-171.5	-170.1	0	0	111.3	G85 R86 K91 R188	G85-E88 WeakPolarHBondContact O-CB 3.23Å; G85-E88 PolarHBondContact O-N 3.41Å; R86-E88 PolarHBondContact O-N 2.95Å; E88-K91 IonicContact OE2-NZ 3.68Å; E88-K91 PolarHBondContact OE2-NZ 2.82Å; E88-R188 PolarHBondContact O-NH1 2.69Å; E88-R188 PolarHBondContact O-NH2 3.25Å
89	K	98.3	Very high	96.6	Very high	83 Å²	83	57.9 Å²	57.9	36%	0.361	32%	0.323	S	S	.	.			trans	-62.1	146.8	169.3	-64.6	-172.7	-177	-171.6	0	110.6	W209 D337	K89-W209 HydrophobicContact CD-CD2 4.06Å; K89-W209 HydrophobicContact CD-CG 4.35Å; K89-W209 HydrophobicContact CD-CZ2 4.3Å; K89-W209 HydrophobicContact CG-CD2 4.41Å; K89-W209 HydrophobicContact CG-CG 4.17Å; K89-D337 IonicContact NZ-OD2 3.33Å; K89-D337 PolarHBondContact NZ-OD2 3.22Å
90	P	98.2	Very high	96.6	Very high	23 Å²	23	59.8 Å²	59.8	15%	0.149	33%	0.332	C	S	.	.			trans	-61.7	147.5	173.3	30.4	-36.3	0	0	0	110.9	A81 L126 W209 D210 A213	A81-P90 HydrophobicContact CB-CB 4.03Å; P90-L126 HydrophobicContact CB-CD1 3.9Å; P90-W209 HydrophobicContact CG-CB 4.11Å; P90-W209 WeakPolarHBondContact CG-O 3.36Å; P90-D210 WeakPolarHBondContact CB-OD1 3.12Å; P90-D210 WeakPolarHBondContact CG-OD1 3.37Å; P90-A213 HydrophobicContact CB-CB 4.27Å; P90-A213 HydrophobicContact CG-CB 3.83Å
91	K	97.6	Very high	96.6	Very high	125 Å²	125	65.9 Å²	65.9	54%	0.543	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-116.8	154	175.5	-65.1	170.8	-169.1	154.1	0	108.4	A81 A82 E88	A81-K91 CarbonylContact C-O 3.26Å; A81-K91 VanDerWaalsContact CA-O 3.27Å; A81-K91 WeakPolarHBondContact CA-O 3.35Å; A81-K91 VanDerWaalsContact CB-O 3.31Å; A81-K91 WeakPolarHBondContact CB-O 3.34Å; A82-K91 PolarHBondContact N-O 3.21Å; E88-K91 IonicContact OE2-NZ 3.68Å; E88-K91 PolarHBondContact OE2-NZ 2.82Å
92	R	96.8	Very high	96.6	Very high	168 Å²	168	65.8 Å²	65.8	63%	0.634	36%	0.358	S	S	*	.			trans	-58.7	144.4	175.4	-67.7	-173.3	-177.9	174.3	0.8	110.3
93	H	97.1	Very high	96.6	Very high	60 Å²	60	67.1 Å²	67.1	28%	0.278	36%	0.364	S	S	.	.			trans	-65	143.2	173	-163.2	-78	0	0	0	109.9	G95	H93-G95 PolarHBondContact CE1-O 3.48Å; H93-G95 VanDerWaalsContact CE1-O 3.29Å; H93-G95 PolarHBondContact ND1-N 2.93Å; H93-G95 VanDerWaalsContact ND1-N 3.12Å; H93-G95 PolarHBondContact ND1-O 2.78Å; H93-G95 PolarHBondContact O-N 3.42Å
94	S	95.3	Very high	96.8	Very high	122 Å²	122	67.1 Å²	67.1	85%	0.853	37%	0.365	S	S	*	.			trans	-71.5	4.7	179.1	55.3	0	0	0	0	114.5
95	G	96.2	Very high	97.1	Very high	18 Å²	18	67.9 Å²	67.9	19%	0.186	37%	0.367	C	S	.	.			trans	71.6	-176.6	-165.9	0	0	0	0	0	115.1	G56 H93	G56-G95 CarbonylContact O-C 3.27Å; G56-G95 WeakPolarHBondContact O-CA 3.34Å; H93-G95 PolarHBondContact CE1-O 3.48Å; H93-G95 VanDerWaalsContact CE1-O 3.29Å; H93-G95 PolarHBondContact ND1-N 2.93Å; H93-G95 VanDerWaalsContact ND1-N 3.12Å; H93-G95 PolarHBondContact ND1-O 2.78Å; H93-G95 PolarHBondContact O-N 3.42Å
96	W	97.5	Very high	97.4	Very high	50 Å²	50	70.1 Å²	70.1	19%	0.189	37%	0.368	C	S	.	.			trans	-145.3	156.5	178.6	55.8	83.6	0	0	0	110.7	G56 A58 V59 P79 L100	G56-W96 PolarHBondContact O-N 2.95Å; A58-W96 PolarHBondContact O-NE1 3.47Å; V59-W96 HydrophobicContact CG1-CH2 4.1Å; V59-W96 HydrophobicContact CG1-CZ2 3.45Å; V59-W96 VanDerWaalsContact CG1-CZ2 3.45Å; P79-W96 HydrophobicContact CG-CE3 4.09Å; P79-W96 HydrophobicContact CG-CH2 4.29Å; P79-W96 HydrophobicContact CG-CZ3 3.59Å; W96-L100 HydrophobicContact CD2-CB 4.25Å; W96-L100 HydrophobicContact CD2-CD2 4.17Å; W96-L100 HydrophobicContact CE3-CD2 4.36Å; W96-L100 HydrophobicContact CG-CB 4.34Å; W96-L100 HydrophobicContact CH2-CD2 4.3Å; W96-L100 HydrophobicContact CZ2-CB 4.2Å; W96-L100 HydrophobicContact CZ2-CD2 4.09Å; W96-L100 HydrophobicContact CZ3-CD2 4.44Å
97	D	96.8	Very high	97.5	Very high	166 Å²	166	71.3 Å²	71.3	89%	0.888	38%	0.382	S	S	*	.	S	Bend	trans	-82.5	149.5	173.3	-66.8	-41.1	0	0	0	111.7
98	G	96.9	Very high	97.5	Very high	60 Å²	60	73.7 Å²	73.7	62%	0.619	39%	0.39	S	S	*	.	S	Bend	trans	69.2	-148.4	177.2	0	0	0	0	0	113.7
99	T	98.4	Very high	97.6	Very high	58 Å²	58	70.2 Å²	70.2	36%	0.356	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	116.3	-177.9	-54.6	0	0	0	0	110.6	I51 A58 Q60	I51-T99 HydrophobicContact CD1-CG2 4.42Å; I51-T99 HydrophobicContact CG1-CG2 4.32Å; I51-T99 HydrophobicContact CG2-CG2 4.16Å; A58-T99 HydrophobicContact CB-CG2 4.3Å; A58-T99 CarbonylContact O-C 3.53Å; A58-T99 WeakPolarHBondContact O-CA 3.29Å; Q60-T99 HydrophobicContact CB-CG2 3.7Å
100	L	98.5	Very high	97.6	Very high	46 Å²	46	67.2 Å²	67.2	24%	0.241	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	124.2	175.8	-179.4	65.6	0	0	0	110.2	A58 V59 Q60 P79 W96 T102	A58-L100 PolarHBondContact O-N 3.02Å; V59-L100 CarbonylContact C-O 3.04Å; V59-L100 WeakPolarHBondContact CA-O 3.49Å; V59-L100 HydrophobicContact CG1-CB 4.43Å; Q60-L100 PolarHBondContact N-O 3.13Å; P79-L100 HydrophobicContact CG-CD2 4.2Å; W96-L100 HydrophobicContact CD2-CB 4.25Å; W96-L100 HydrophobicContact CD2-CD2 4.17Å; W96-L100 HydrophobicContact CE3-CD2 4.36Å; W96-L100 HydrophobicContact CG-CB 4.34Å; W96-L100 HydrophobicContact CH2-CD2 4.3Å; W96-L100 HydrophobicContact CZ2-CB 4.2Å; W96-L100 HydrophobicContact CZ2-CD2 4.09Å; W96-L100 HydrophobicContact CZ3-CD2 4.44Å; L100-T102 HydrophobicContact CD2-CG2 4Å; L100-T102 HydrophobicContact CG-CG2 3.94Å; L100-T102 PolarHBondContact O-N 3.48Å
101	K	98.4	Very high	97.5	Very high	131 Å²	131	66.2 Å²	66.2	57%	0.57	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.9	172.1	-63.4	-65.4	-172.2	171.2	0	109.7	Q60	Q60-K101 HydrophobicContact CB-CD 4.45Å
102	T	98.2	Very high	97.4	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	33%	0.331	C	S	.	.			trans	-119.7	64.3	-175.8	55.5	0	0	0	0	109.7	V59 Q60 F75 K76 I78 L100	V59-T102 HydrophobicContact CB-CG2 4.13Å; V59-T102 HydrophobicContact CG1-CG2 4.22Å; Q60-T102 PolarHBondContact O-N 3.01Å; Q60-T102 PolarHBondContact O-OG1 3.39Å; F75-T102 CarbonylContact C-O 3.6Å; F75-T102 WeakPolarHBondContact CA-O 3.14Å; F75-T102 WeakPolarHBondContact CD1-OG1 3.34Å; K76-T102 PolarHBondContact N-O 2.94Å; K76-T102 CarbonylContact O-C 3.39Å; K76-T102 WeakPolarHBondContact O-CA 3.35Å; K76-T102 VanDerWaalsContact O-CB 3.24Å; K76-T102 WeakPolarHBondContact O-CB 3.42Å; I78-T102 HydrophobicContact CG1-CG2 3.71Å; L100-T102 HydrophobicContact CD2-CG2 4Å; L100-T102 HydrophobicContact CG-CG2 3.94Å; L100-T102 PolarHBondContact O-N 3.48Å
103	T	97.4	Very high	97.2	Very high	55 Å²	55	54 Å²	54	34%	0.337	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-110.5	-8.8	-173.1	60.8	0	0	0	0	113.5	E62	E62-T103 HydrophobicContact CG-CG2 3.55Å
104	S	97.5	Very high	96.6	Very high	70 Å²	70	57.9 Å²	57.9	49%	0.49	33%	0.331	S	S	.	.	S	Bend	trans	-134.4	149.3	-178.6	61.1	0	0	0	0	112.3	K76	K76-S104 CarbonylContact C-O 3.52Å; K76-S104 VanDerWaalsContact C-O 3.27Å; K76-S104 VanDerWaalsContact CB-C 3.43Å; K76-S104 WeakPolarHBondContact CB-O 3.3Å; K76-S104 VanDerWaalsContact O-O 3.05Å
105	F	98.4	Very high	96.2	Very high	35 Å²	35	58.7 Å²	58.7	15%	0.154	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-63.4	138.5	173.7	-69.3	-66.6	0	0	0	110.3	K76 N129 W131 Q159 Y167	K76-F105 HydrophobicContact CB-CD1 4.27Å; K76-F105 HydrophobicContact CD-CD1 4.4Å; K76-F105 HydrophobicContact CD-CD2 4.19Å; K76-F105 HydrophobicContact CD-CE1 4.22Å; K76-F105 HydrophobicContact CD-CE2 4Å; K76-F105 HydrophobicContact CD-CG 4.39Å; K76-F105 HydrophobicContact CD-CZ 4.02Å; K76-F105 HydrophobicContact CG-CD1 4.24Å; K76-F105 HydrophobicContact CG-CE1 4.03Å; K76-F105 HydrophobicContact CG-CZ 4.28Å; F105-N129 VanDerWaalsContact CD1-OD1 3.27Å; F105-N129 WeakPolarHBondContact CD1-OD1 3.43Å; F105-N129 HydrophobicContact CE1-CB 4.09Å; F105-N129 VanDerWaalsContact CE1-CG 3.46Å; F105-W131 HydrophobicContact CE1-CH2 4.14Å; F105-W131 HydrophobicContact CE1-CZ2 4.49Å; F105-W131 HydrophobicContact CZ-CH2 4.19Å; F105-W131 HydrophobicContact CZ-CZ2 4.14Å; F105-Q159 HydrophobicContact CD1-CB 3.77Å; F105-Q159 HydrophobicContact CD2-CB 3.83Å; F105-Q159 HydrophobicContact CD2-CG 4.42Å; F105-Q159 HydrophobicContact CE1-CB 3.69Å; F105-Q159 HydrophobicContact CE2-CB 3.75Å; F105-Q159 HydrophobicContact CG-CB 3.84Å; F105-Q159 HydrophobicContact CG-CG 4.39Å; F105-Q159 HydrophobicContact CZ-CB 3.68Å; F105-Y167 HydrophobicContact CD2-CD2 4.28Å; F105-Y167 HydrophobicContact CD2-CE1 4.44Å; F105-Y167 AromaticContact CD2-CE2 3.96Å; F105-Y167 HydrophobicContact CD2-CE2 3.96Å; F105-Y167 HydrophobicContact CE2-CD1 4.39Å; F105-Y167 AromaticContact CE2-CD2 3.63Å; F105-Y167 HydrophobicContact CE2-CD2 3.63Å; F105-Y167 AromaticContact CE2-CE2 3.77Å; F105-Y167 HydrophobicContact CE2-CE2 3.77Å; F105-Y167 AromaticContact CE2-CG 3.94Å; F105-Y167 HydrophobicContact CE2-CG 3.94Å
106	K	98	Very high	95.7	Very high	77 Å²	77	59.4 Å²	59.4	34%	0.335	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-83.9	162.6	172.5	-69.4	-75.4	-176.9	177.4	0	110.8	R108 Y127	K106-R108 PolarHBondContact O-N 2.81Å; K106-Y127 HydrophobicContact CB-CD1 4.05Å; K106-Y127 HydrophobicContact CB-CD2 3.43Å; K106-Y127 VanDerWaalsContact CB-CD2 3.43Å; K106-Y127 HydrophobicContact CB-CE1 4.4Å; K106-Y127 HydrophobicContact CB-CE2 3.88Å; K106-Y127 HydrophobicContact CB-CG 3.54Å; K106-Y127 HydrophobicContact CD-CD1 4.38Å; K106-Y127 HydrophobicContact CD-CE1 4.07Å; K106-Y127 HydrophobicContact CD-CE2 4.43Å; K106-Y127 HydrophobicContact CG-CD1 3.6Å; K106-Y127 HydrophobicContact CG-CD2 3.91Å; K106-Y127 HydrophobicContact CG-CE1 3.8Å; K106-Y127 HydrophobicContact CG-CE2 4.14Å; K106-Y127 HydrophobicContact CG-CG 3.66Å
107	P	97.7	Very high	95.3	Very high	71 Å²	71	62.5 Å²	62.5	46%	0.461	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-53.7	141.8	175.8	-26.4	36.1	0	0	0	111.7
108	R	97.9	Very high	95.2	Very high	54 Å²	54	57.8 Å²	57.8	20%	0.204	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-70.4	165.2	168.3	68	-171.7	69.3	-163.5	-12	110.4	K106 Q111 Y120 G121 S122 A157	K106-R108 PolarHBondContact O-N 2.81Å; R108-Q111 VanDerWaalsContact CD-NE2 3.35Å; R108-Y120 HydrophobicContact CG-CE2 4.38Å; R108-Y120 PolarHBondContact NH1-OH 3.31Å; R108-G121 CarbonylContact O-C 3.57Å; R108-G121 WeakPolarHBondContact O-CA 3.38Å; R108-S122 PolarHBondContact O-N 2.99Å; R108-A157 HydrophobicContact CB-CB 3.7Å; R108-A157 HydrophobicContact CG-CB 4.47Å
109	C	98.4	Very high	95.1	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-63.7	145.3	175.3	-58.9	0	0	0	0	111.6	Q111 S122 C125 Y187	C109-Q111 PolarHBondContact O-N 3.22Å; C109-Q111 PolarHBondContact O-NE2 2.99Å; C109-S122 CarbonylContact C-O 3.55Å; C109-S122 VanDerWaalsContact CA-O 3.32Å; C109-S122 WeakPolarHBondContact CA-O 3.25Å; C109-C125 WeakPolarHBondContact CA-SG 3.42Å; C109-C125 HydrophobicContact CB-CB 3.77Å; C109-C125 WeakPolarHBondContact CB-SG 3.48Å; C109-C125 VanDerWaalsContact N-CB 3.29Å; C109-C125 WeakPolarHBondContact SG-CB 3.2Å; C109-C125 CovalentContact SG-SG 2.03Å; C109-C125 PolarHBondContact SG-SG 3.23Å; C109-Y187 PolarHBondContact SG-O 2.82Å
110	L	97.9	Very high	95	Very high	19 Å²	19	56.8 Å²	56.8	10%	0.099	29%	0.293	C	S	.	.	S	Bend	trans	-54.4	123.3	179.9	-168.2	72.7	0	0	0	110.1	V119 Y120 S122 L192 P305	L110-V119 HydrophobicContact CD1-CB 4.34Å; L110-V119 HydrophobicContact CD1-CG2 4.01Å; L110-Y120 WeakPolarHBondContact CA-O 3.41Å; L110-S122 PolarHBondContact N-O 2.97Å; L110-L192 HydrophobicContact CB-CD1 3.99Å; L110-L192 HydrophobicContact CD2-CD1 4.04Å; L110-P305 HydrophobicContact CD2-CB 3.74Å; L110-P305 HydrophobicContact CD2-CG 4.33Å
111	Q	97.4	Very high	94.9	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.009	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	168	-172.7	68.7	-168.1	-112.4	0	0	111.3	R108 C109 V119 Y120 V155 G156 V189	R108-Q111 VanDerWaalsContact CD-NE2 3.35Å; C109-Q111 PolarHBondContact O-N 3.22Å; C109-Q111 PolarHBondContact O-NE2 2.99Å; Q111-V119 CarbonylContact O-C 3.31Å; Q111-V119 WeakPolarHBondContact O-CA 3.49Å; Q111-V119 WeakPolarHBondContact O-CB 3.48Å; Q111-Y120 HydrophobicContact CG-CD1 4.07Å; Q111-Y120 HydrophobicContact CG-CE1 3.52Å; Q111-Y120 PolarHBondContact N-O 2.96Å; Q111-Y120 PolarHBondContact O-N 3.09Å; Q111-Y120 PolarHBondContact OE1-OH 3.45Å; Q111-Y120 VanDerWaalsContact OE1-OH 3.04Å; Q111-V155 HydrophobicContact CB-CG1 4.46Å; Q111-G156 PolarHBondContact NE2-O 3.49Å; Q111-G156 PolarHBondContact OE1-O 2.74Å; Q111-V189 HydrophobicContact CB-CG2 3.67Å
112	L	94.9	Very high	94.9	Very high	5 Å²	5	52 Å²	52	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	141.2	175.7	-65.1	167.3	0	0	0	111.4	M116 V119 Y120 V155 T309 L310 K313	L112-M116 HydrophobicContact CB-CG 4.39Å; L112-M116 HydrophobicContact CD1-CG 4.28Å; L112-V119 HydrophobicContact CD2-CG1 4.47Å; L112-Y120 VanDerWaalsContact O-CE1 3.29Å; L112-Y120 WeakPolarHBondContact O-CE1 3.35Å; L112-V155 HydrophobicContact CB-CG1 4.41Å; L112-V155 WeakPolarHBondContact O-CG1 3.44Å; L112-T309 HydrophobicContact CD2-CG2 4.27Å; L112-T309 WeakPolarHBondContact CD2-O 3.19Å; L112-T309 HydrophobicContact CG-CG2 4.19Å; L112-L310 HydrophobicContact CD2-CD2 3.93Å; L112-K313 HydrophobicContact CD1-CB 4Å; L112-K313 HydrophobicContact CD2-CB 4.43Å
113	T	92.8	Very high	94.8	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	30%	0.301	C	S	.	.			trans	-61.3	163.1	162.8	61.5	0	0	0	0	110.4	L115 M116 N117 D118 Y120	T113-L115 PolarHBondContact O-N 3.25Å; T113-M116 WeakPolarHBondContact O-CA 3.37Å; T113-M116 PolarHBondContact O-N 3.46Å; T113-N117 PolarHBondContact OG1-OD1 3.39Å; T113-N117 VanDerWaalsContact OG1-OD1 3.12Å; T113-D118 HydrophobicContact CG2-CB 4.01Å; T113-D118 PolarHBondContact N-O 2.86Å; T113-D118 PolarHBondContact OG1-N 2.97Å; T113-D118 PolarHBondContact OG1-O 3.22Å; T113-Y120 HydrophobicContact CG2-CD1 3.87Å; T113-Y120 HydrophobicContact CG2-CE1 4.49Å
114	I	84.8	Confident	94.8	Very high	143 Å²	143	55.7 Å²	55.7	73%	0.733	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.9	179.7	-63.2	173.5	0	0	0	111.8	M116	I114-M116 PolarHBondContact O-N 2.97Å
115	L	85.3	Confident	94.9	Very high	139 Å²	139	52.5 Å²	52.5	73%	0.728	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.2	177	-61.9	178.8	0	0	0	113.7	T113 N117	T113-L115 PolarHBondContact O-N 3.25Å; L115-N117 PolarHBondContact O-N 2.99Å
116	M	87.4	Confident	94.9	Very high	33 Å²	33	51 Å²	51	16%	0.163	27%	0.272	C	S	.	.	S	Bend	trans	54.2	26.6	179.3	-54.3	-176.6	179.1	0	0	114.6	L112 T113 I114 K313 I314 L316	L112-M116 HydrophobicContact CB-CG 4.39Å; L112-M116 HydrophobicContact CD1-CG 4.28Å; T113-M116 WeakPolarHBondContact O-CA 3.37Å; T113-M116 PolarHBondContact O-N 3.46Å; I114-M116 PolarHBondContact O-N 2.97Å; M116-K313 HydrophobicContact CB-CB 4.42Å; M116-I314 HydrophobicContact CE-CD1 3.94Å; M116-I314 HydrophobicContact CE-CG1 3.55Å; M116-I314 HydrophobicContact SD-CG1 3.68Å; M116-L316 HydrophobicContact CE-CD1 3.89Å; M116-L316 HydrophobicContact CE-CD2 3.86Å; M116-L316 HydrophobicContact CE-CG 3.96Å; M116-L316 HydrophobicContact SD-CD1 3.95Å; M116-L316 HydrophobicContact SD-CD2 4.43Å; M116-L316 HydrophobicContact SD-CG 3.94Å
117	N	89.1	Confident	94.9	Very high	114 Å²	114	48.5 Å²	48.5	61%	0.61	26%	0.26	S	S	*	.	S	Bend	trans	-106.6	-10.7	-179.8	65.9	-11.8	0	0	0	113.3	T113 L115	T113-N117 PolarHBondContact OG1-OD1 3.39Å; T113-N117 VanDerWaalsContact OG1-OD1 3.12Å; L115-N117 PolarHBondContact O-N 2.99Å
118	D	93.1	Very high	95	Very high	67 Å²	67	45.1 Å²	45.1	36%	0.358	24%	0.238	S	C	.	.	S	Bend	trans	-148.6	177.4	176.4	-158.6	6.6	0	0	0	110.3	T113 K306	T113-D118 HydrophobicContact CG2-CB 4.01Å; T113-D118 PolarHBondContact N-O 2.86Å; T113-D118 PolarHBondContact OG1-N 2.97Å; T113-D118 PolarHBondContact OG1-O 3.22Å; D118-K306 WeakPolarHBondContact OD1-CE 3.34Å; D118-K306 IonicContact OD1-NZ 2.94Å; D118-K306 PolarHBondContact OD1-NZ 2.94Å
119	V	96.2	Very high	95	Very high	17 Å²	17	42.6 Å²	42.6	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	155.2	177.9	-51.1	0	0	0	0	111.1	L110 Q111 L112 K306 T309 L310	L110-V119 HydrophobicContact CD1-CB 4.34Å; L110-V119 HydrophobicContact CD1-CG2 4.01Å; Q111-V119 CarbonylContact O-C 3.31Å; Q111-V119 WeakPolarHBondContact O-CA 3.49Å; Q111-V119 WeakPolarHBondContact O-CB 3.48Å; L112-V119 HydrophobicContact CD2-CG1 4.47Å; V119-K306 HydrophobicContact CB-CG 4.47Å; V119-K306 HydrophobicContact CG1-CG 4.17Å; V119-K306 HydrophobicContact CG2-CB 3.71Å; V119-K306 HydrophobicContact CG2-CD 3.61Å; V119-K306 HydrophobicContact CG2-CG 3.44Å; V119-K306 VanDerWaalsContact CG2-CG 3.44Å; V119-T309 HydrophobicContact CB-CG2 4.33Å; V119-T309 HydrophobicContact CG1-CG2 3.68Å; V119-L310 HydrophobicContact CG1-CD1 4.43Å; V119-L310 HydrophobicContact CG1-CD2 3.88Å; V119-L310 HydrophobicContact CG1-CG 3.68Å
120	Y	96.2	Very high	95.1	Very high	81 Å²	81	42.5 Å²	42.5	32%	0.318	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	162.7	176.7	74.1	-61.2	0	0	0	110.6	R108 L110 Q111 L112 T113	R108-Y120 HydrophobicContact CG-CE2 4.38Å; R108-Y120 PolarHBondContact NH1-OH 3.31Å; L110-Y120 WeakPolarHBondContact CA-O 3.41Å; Q111-Y120 HydrophobicContact CG-CD1 4.07Å; Q111-Y120 HydrophobicContact CG-CE1 3.52Å; Q111-Y120 PolarHBondContact N-O 2.96Å; Q111-Y120 PolarHBondContact O-N 3.09Å; Q111-Y120 PolarHBondContact OE1-OH 3.45Å; Q111-Y120 VanDerWaalsContact OE1-OH 3.04Å; L112-Y120 VanDerWaalsContact O-CE1 3.29Å; L112-Y120 WeakPolarHBondContact O-CE1 3.35Å; T113-Y120 HydrophobicContact CG2-CD1 3.87Å; T113-Y120 HydrophobicContact CG2-CE1 4.49Å
121	G	96.8	Very high	95.1	Very high	37 Å²	37	41.8 Å²	41.8	38%	0.381	22%	0.224	S	C	.	.	S	Bend	trans	103.7	-162.9	-171	0	0	0	0	0	112.2	R108	R108-G121 CarbonylContact O-C 3.57Å; R108-G121 WeakPolarHBondContact O-CA 3.38Å
122	S	97.3	Very high	95.2	Very high	39 Å²	39	41.7 Å²	41.7	27%	0.273	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-143.7	153.9	-174.9	-179.6	0	0	0	0	110.4	R108 C109 L110 D124 C125	R108-S122 PolarHBondContact O-N 2.99Å; C109-S122 CarbonylContact C-O 3.55Å; C109-S122 VanDerWaalsContact CA-O 3.32Å; C109-S122 WeakPolarHBondContact CA-O 3.25Å; L110-S122 PolarHBondContact N-O 2.97Å; S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 WeakPolarHBondContact CB-O 3.19Å; S122-D124 PolarHBondContact OG-N 3.02Å; S122-D124 PolarHBondContact OG-O 3.33Å; S122-C125 WeakPolarHBondContact O-CB 3.24Å
123	E	97	Very high	95.3	Very high	74 Å²	74	41.6 Å²	41.6	35%	0.346	22%	0.223	S	C	.	.	S	Bend	trans	-72.6	-27.9	166.5	-66.5	-169.8	96	0	0	111.5	R86 C125 L192 P305	R86-E123 VanDerWaalsContact CD-OE1 3.27Å; R86-E123 WeakPolarHBondContact CD-OE1 3.45Å; R86-E123 WeakPolarHBondContact CG-OE1 3.21Å; E123-C125 PolarHBondContact O-N 3.07Å; E123-L192 HydrophobicContact CG-CD1 4.47Å; E123-P305 HydrophobicContact CG-CB 4.44Å
124	D	97.7	Very high	95.5	Very high	60 Å²	60	40.1 Å²	40.1	32%	0.321	21%	0.214	S	C	.	.			trans	-82.6	90.4	166.4	177.9	21.8	0	0	0	109.6	P83 S122 Y127	P83-D124 HydrophobicContact CB-CB 4.36Å; P83-D124 HydrophobicContact CG-CB 4Å; S122-D124 VanDerWaalsContact C-N 3.3Å; S122-D124 WeakPolarHBondContact CB-O 3.19Å; S122-D124 PolarHBondContact OG-N 3.02Å; S122-D124 PolarHBondContact OG-O 3.33Å; D124-Y127 VanDerWaalsContact CG-OH 3.25Å; D124-Y127 WeakPolarHBondContact OD1-CE2 3.16Å; D124-Y127 PolarHBondContact OD1-OH 3.04Å; D124-Y127 PolarHBondContact OD2-OH 2.88Å
125	C	98.4	Very high	95.8	Very high	3 Å²	3	36 Å²	36	2%	0.02	19%	0.193	C	C	.	.			trans	-141.1	2	-172.3	64.2	0	0	0	0	115.2	C109 S122 E123 Y127	C109-C125 WeakPolarHBondContact CA-SG 3.42Å; C109-C125 HydrophobicContact CB-CB 3.77Å; C109-C125 WeakPolarHBondContact CB-SG 3.48Å; C109-C125 VanDerWaalsContact N-CB 3.29Å; C109-C125 WeakPolarHBondContact SG-CB 3.2Å; C109-C125 CovalentContact SG-SG 2.03Å; C109-C125 PolarHBondContact SG-SG 3.23Å; S122-C125 WeakPolarHBondContact O-CB 3.24Å; E123-C125 PolarHBondContact O-N 3.07Å; C125-Y127 VanDerWaalsContact C-CD2 3.45Å; C125-Y127 VanDerWaalsContact C-N 3.25Å; C125-Y127 PolarHBondContact O-N 2.91Å
126	L	98.8	Very high	96	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.191	C	C	.	.			trans	-83.7	70	-174.3	-59.6	-168.4	0	0	0	111.8	F80 A81 P84 P90 D210	F80-L126 VanDerWaalsContact CD1-O 3.31Å; F80-L126 WeakPolarHBondContact CD1-O 3.36Å; F80-L126 HydrophobicContact CE1-CB 4.04Å; F80-L126 HydrophobicContact CE2-CB 3.94Å; F80-L126 HydrophobicContact CE2-CD1 4.43Å; F80-L126 HydrophobicContact CZ-CB 3.65Å; F80-L126 HydrophobicContact CZ-CD2 4.01Å; F80-L126 HydrophobicContact CZ-CG 4.29Å; F80-L126 PolarHBondContact N-O 2.95Å; F80-L126 VanDerWaalsContact N-O 3.11Å; A81-L126 HydrophobicContact CB-CB 4.01Å; A81-L126 HydrophobicContact CB-CD1 3.64Å; P84-L126 HydrophobicContact CG-CD1 3.99Å; P90-L126 HydrophobicContact CB-CD1 3.9Å; L126-D210 HydrophobicContact CD2-CB 3.94Å
127	Y	98.9	Very high	96.1	Very high	26 Å²	26	37.3 Å²	37.3	10%	0.102	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	154.3	-179.1	-60.2	-90.6	0	0	0	111.9	G77 I78 P79 K106 D124 C125 G186	G77-Y127 WeakPolarHBondContact O-CD1 3.48Å; I78-Y127 CarbonylContact O-C 3.57Å; I78-Y127 VanDerWaalsContact O-CA 3.24Å; I78-Y127 WeakPolarHBondContact O-CA 3.45Å; P79-Y127 HydrophobicContact CB-CD1 3.81Å; P79-Y127 HydrophobicContact CB-CE1 3.65Å; P79-Y127 HydrophobicContact CG-CD1 4.44Å; P79-Y127 HydrophobicContact CG-CE1 4.18Å; K106-Y127 HydrophobicContact CB-CD1 4.05Å; K106-Y127 HydrophobicContact CB-CD2 3.43Å; K106-Y127 VanDerWaalsContact CB-CD2 3.43Å; K106-Y127 HydrophobicContact CB-CE1 4.4Å; K106-Y127 HydrophobicContact CB-CE2 3.88Å; K106-Y127 HydrophobicContact CB-CG 3.54Å; K106-Y127 HydrophobicContact CD-CD1 4.38Å; K106-Y127 HydrophobicContact CD-CE1 4.07Å; K106-Y127 HydrophobicContact CD-CE2 4.43Å; K106-Y127 HydrophobicContact CG-CD1 3.6Å; K106-Y127 HydrophobicContact CG-CD2 3.91Å; K106-Y127 HydrophobicContact CG-CE1 3.8Å; K106-Y127 HydrophobicContact CG-CE2 4.14Å; K106-Y127 HydrophobicContact CG-CG 3.66Å; D124-Y127 VanDerWaalsContact CG-OH 3.25Å; D124-Y127 WeakPolarHBondContact OD1-CE2 3.16Å; D124-Y127 PolarHBondContact OD1-OH 3.04Å; D124-Y127 PolarHBondContact OD2-OH 2.88Å; C125-Y127 VanDerWaalsContact C-CD2 3.45Å; C125-Y127 VanDerWaalsContact C-N 3.25Å; C125-Y127 PolarHBondContact O-N 2.91Å; Y127-G186 PolarHBondContact O-N 2.98Å
128	L	98.9	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164.8	172.7	60.2	79	0	0	0	112.1	G77 I78 F80 I130 V183 T184 L185 W217 V218	G77-L128 PolarHBondContact N-O 2.89Å; I78-L128 HydrophobicContact CB-CD1 3.9Å; I78-L128 HydrophobicContact CB-CG 4.43Å; I78-L128 HydrophobicContact CD1-CD1 4Å; I78-L128 HydrophobicContact CG1-CD1 4.48Å; I78-L128 HydrophobicContact CG2-CD1 4.44Å; I78-L128 PolarHBondContact N-O 3.31Å; I78-L128 PolarHBondContact O-N 3.24Å; F80-L128 HydrophobicContact CB-CD2 3.74Å; F80-L128 HydrophobicContact CB-CG 4.35Å; F80-L128 HydrophobicContact CD1-CB 4.11Å; F80-L128 HydrophobicContact CD1-CD2 4.01Å; F80-L128 HydrophobicContact CD1-CG 4.15Å; F80-L128 HydrophobicContact CG-CD2 4.2Å; L128-I130 HydrophobicContact CD1-CD1 3.81Å; L128-I130 HydrophobicContact CD1-CG1 3.7Å; L128-V183 HydrophobicContact CB-CG1 4.26Å; L128-V183 HydrophobicContact CD1-CG1 4.4Å; L128-V183 HydrophobicContact CD2-CG1 4.49Å; L128-T184 CarbonylContact C-O 3.48Å; L128-T184 WeakPolarHBondContact CA-O 3.41Å; L128-T184 VanDerWaalsContact CB-O 3.32Å; L128-T184 WeakPolarHBondContact CB-O 3.47Å; L128-L185 HydrophobicContact CB-CB 4.23Å; L128-W217 HydrophobicContact CD1-CE3 4.21Å; L128-W217 HydrophobicContact CD1-CH2 4.14Å; L128-W217 HydrophobicContact CD1-CZ3 3.77Å; L128-W217 HydrophobicContact CD2-CD2 3.95Å; L128-W217 HydrophobicContact CD2-CE3 3.44Å; L128-W217 VanDerWaalsContact CD2-CE3 3.44Å; L128-W217 HydrophobicContact CD2-CG 4.5Å; L128-W217 HydrophobicContact CD2-CZ3 3.88Å; L128-W217 HydrophobicContact CG-CE3 4.4Å; L128-W217 HydrophobicContact CG-CZ3 4.44Å; L128-V218 HydrophobicContact CD2-CG2 4.3Å
129	N	98.9	Very high	96.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146.2	-179.1	-39.4	-75	0	0	0	109.2	F75 K76 G77 F105 W131 S158 V183 T184	F75-N129 CarbonylContact O-C 3.56Å; F75-N129 WeakPolarHBondContact O-CA 3.39Å; F75-N129 WeakPolarHBondContact O-CB 3.47Å; K76-N129 VanDerWaalsContact CA-OD1 3.29Å; K76-N129 WeakPolarHBondContact CA-OD1 3.47Å; K76-N129 HydrophobicContact CG-CB 4.44Å; G77-N129 PolarHBondContact N-OD1 3.11Å; F105-N129 VanDerWaalsContact CD1-OD1 3.27Å; F105-N129 WeakPolarHBondContact CD1-OD1 3.43Å; F105-N129 HydrophobicContact CE1-CB 4.09Å; F105-N129 VanDerWaalsContact CE1-CG 3.46Å; N129-W131 HydrophobicContact CB-CH2 3.74Å; N129-W131 HydrophobicContact CB-CZ3 3.63Å; N129-S158 WeakPolarHBondContact ND2-CB 3.44Å; N129-S158 PolarHBondContact ND2-OG 3.31Å; N129-V183 CarbonylContact O-C 3.31Å; N129-V183 WeakPolarHBondContact O-CA 3.27Å; N129-T184 PolarHBondContact N-O 3.47Å; N129-T184 PolarHBondContact ND2-OG1 3.11Å; N129-T184 PolarHBondContact O-N 3.23Å
130	I	98.9	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.6	-172.3	-49.5	179.1	0	0	0	109.6	V74 F75 I78 L128 V132 I181 V182 V183 W217 I222 F225	V74-I130 WeakPolarHBondContact CA-O 3.32Å; F75-I130 HydrophobicContact CB-CB 4.32Å; F75-I130 HydrophobicContact CD2-CB 4.29Å; F75-I130 PolarHBondContact N-O 2.58Å; F75-I130 PolarHBondContact O-N 2.87Å; I78-I130 HydrophobicContact CD1-CD1 3.66Å; I78-I130 HydrophobicContact CD1-CG1 4.12Å; L128-I130 HydrophobicContact CD1-CD1 3.81Å; L128-I130 HydrophobicContact CD1-CG1 3.7Å; I130-V132 HydrophobicContact CG2-CG2 3.74Å; I130-I181 HydrophobicContact CG2-CG2 3.67Å; I130-V182 WeakPolarHBondContact CA-O 3.49Å; I130-V183 HydrophobicContact CG1-CG2 4.31Å; I130-V183 HydrophobicContact CG2-CG2 4.4Å; I130-W217 HydrophobicContact CD1-CH2 4.07Å; I130-W217 HydrophobicContact CD1-CZ3 3.94Å; I130-I222 HydrophobicContact CD1-CD1 4.25Å; I130-I222 HydrophobicContact CG2-CD1 4.34Å; I130-F225 HydrophobicContact CD1-CD1 4.03Å; I130-F225 HydrophobicContact CD1-CD2 4.27Å; I130-F225 HydrophobicContact CD1-CE1 3.82Å; I130-F225 HydrophobicContact CD1-CE2 4.08Å; I130-F225 HydrophobicContact CD1-CG 4.25Å; I130-F225 HydrophobicContact CD1-CZ 3.85Å; I130-F225 HydrophobicContact CG2-CD1 4.47Å
131	W	98.9	Very high	96.2	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.2	170.4	-68.2	-103.9	0	0	0	109	M72 V74 F105 N129 A175 I181 V182 T184	M72-W131 HydrophobicContact SD-CB 3.91Å; M72-W131 VanDerWaalsContact SD-CD1 3.59Å; M72-W131 HydrophobicContact SD-CG 4.16Å; V74-W131 HydrophobicContact CG1-CG 4.49Å; F105-W131 HydrophobicContact CE1-CH2 4.14Å; F105-W131 HydrophobicContact CE1-CZ2 4.49Å; F105-W131 HydrophobicContact CZ-CH2 4.19Å; F105-W131 HydrophobicContact CZ-CZ2 4.14Å; N129-W131 HydrophobicContact CB-CH2 3.74Å; N129-W131 HydrophobicContact CB-CZ3 3.63Å; W131-A175 HydrophobicContact CB-CB 4.02Å; W131-I181 WeakPolarHBondContact O-CA 3.48Å; W131-V182 HydrophobicContact CE3-CG1 4.48Å; W131-V182 PolarHBondContact N-O 2.81Å; W131-V182 PolarHBondContact O-N 2.88Å; W131-V182 VanDerWaalsContact O-N 3.16Å; W131-T184 HydrophobicContact CH2-CG2 4.2Å; W131-T184 HydrophobicContact CZ3-CG2 3.77Å
132	V	98.8	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	109.6	-177	-173.8	0	0	0	0	110	L49 M72 D73 F75 I130 A139 I181 F225	L49-V132 HydrophobicContact CD1-CB 4.46Å; L49-V132 HydrophobicContact CD1-CG1 4.18Å; L49-V132 HydrophobicContact CD1-CG2 4.33Å; M72-V132 VanDerWaalsContact CA-O 3.23Å; M72-V132 WeakPolarHBondContact CA-O 3.46Å; M72-V132 WeakPolarHBondContact CG-O 3.46Å; D73-V132 HydrophobicContact CB-CB 4.42Å; D73-V132 PolarHBondContact N-O 2.94Å; D73-V132 PolarHBondContact O-N 2.62Å; F75-V132 HydrophobicContact CE2-CG2 4.36Å; I130-V132 HydrophobicContact CG2-CG2 3.74Å; V132-A139 HydrophobicContact CG1-CB 3.51Å; V132-I181 HydrophobicContact CG1-CD1 4.24Å; V132-I181 HydrophobicContact CG1-CG1 4.25Å; V132-I181 HydrophobicContact CG2-CD1 4.32Å; V132-I181 HydrophobicContact CG2-CG1 4.38Å; V132-F225 VanDerWaalsContact CG1-O 3.29Å; V132-F225 WeakPolarHBondContact CG1-O 3.26Å; V132-F225 HydrophobicContact CG2-CB 4.16Å
133	P	98.1	Very high	96.4	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.013	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	136.3	-180	33	-34.6	0	0	0	111.6	M72 A139 L142 A175 V180	M72-P133 HydrophobicContact CE-CB 4.48Å; P133-A139 WeakPolarHBondContact O-CB 3.35Å; P133-L142 HydrophobicContact CG-CD1 3.85Å; P133-A175 HydrophobicContact CG-CB 4.45Å; P133-A175 WeakPolarHBondContact CG-O 3.44Å; P133-V180 VanDerWaalsContact CD-O 3.25Å; P133-V180 WeakPolarHBondContact CD-O 3.4Å; P133-V180 WeakPolarHBondContact CG-O 3.44Å
134	H	96.6	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	102.6	173.1	-58.6	-47.7	0	0	0	109.5	N47 R70 H71 D73 S137 A139	N47-H134 HydrophobicContact CB-CB 3.77Å; N47-H134 PolarHBondContact O-CD2 3Å; R70-H134 WeakPolarHBondContact CA-O 3.39Å; H71-H134 HydrophobicContact CB-CB 4.21Å; H71-H134 PolarHBondContact N-O 2.64Å; H71-H134 PolarHBondContact O-N 2.99Å; D73-H134 IonicContact OD2-CD2 4Å; D73-H134 IonicContact OD2-NE2 3.1Å; D73-H134 PolarHBondContact OD2-NE2 2.95Å; H134-S137 WeakPolarHBondContact CA-O 3.35Å; H134-A139 WeakPolarHBondContact ND1-CB 3.16Å; H134-A139 PolarHBondContact ND1-N 3.43Å
135	I	91.3	Very high	96.5	Very high	58 Å²	58	28.9 Å²	28.9	30%	0.297	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	106.1	-176.9	-53.3	179.3	0	0	0	108.4	R70 S137 N179	R70-I135 HydrophobicContact CG-CG2 4.43Å; I135-S137 PolarHBondContact N-O 3.38Å; I135-S137 PolarHBondContact O-N 2.94Å; I135-N179 HydrophobicContact CD1-CB 3.79Å
136	N	88.4	Confident	96.6	Very high	127 Å²	127	28.7 Å²	28.7	68%	0.679	17%	0.166	S	C	*	.	S	Bend	trans	60.6	-15	-175.8	-55	-43.4	0	0	0	115.8	G69	G69-N136 WeakPolarHBondContact O-CA 3.38Å; G69-N136 PolarHBondContact O-N 2.97Å
137	S	90.1	Very high	96.6	Very high	71 Å²	71	28.6 Å²	28.6	50%	0.497	17%	0.166	S	C	.	.	S	Bend	trans	-153.5	168	179.7	58.1	0	0	0	0	110.8	N47 H134 I135	N47-S137 PolarHBondContact ND2-N 2.92Å; H134-S137 WeakPolarHBondContact CA-O 3.35Å; I135-S137 PolarHBondContact N-O 3.38Å; I135-S137 PolarHBondContact O-N 2.94Å
138	L	92.4	Very high	96.6	Very high	88 Å²	88	27.4 Å²	27.4	46%	0.461	16%	0.161	S	C	.	.			trans	-60.7	143.9	173	-73.3	174	0	0	0	111.2	N47 S140	N47-L138 HydrophobicContact CB-CD2 4.14Å; L138-S140 PolarHBondContact O-N 2.8Å
139	A	92.6	Very high	96.6	Very high	15 Å²	15	27.4 Å²	27.4	12%	0.124	16%	0.161	C	C	.	.			trans	-63	134.9	179.7	0	0	0	0	0	110.4	V132 P133 H134 L142	V132-A139 HydrophobicContact CG1-CB 3.51Å; P133-A139 WeakPolarHBondContact O-CB 3.35Å; H134-A139 WeakPolarHBondContact ND1-CB 3.16Å; H134-A139 PolarHBondContact ND1-N 3.43Å; A139-L142 HydrophobicContact CB-CD1 3.73Å; A139-L142 HydrophobicContact CB-CG 4.29Å
140	S	95.2	Very high	96.5	Very high	96 Å²	96	27.7 Å²	27.7	67%	0.671	16%	0.164	S	C	*	.			trans	-149.4	132.1	177.4	-166.7	0	0	0	0	110.8	L138 L142 G226	L138-S140 PolarHBondContact O-N 2.8Å; S140-L142 PolarHBondContact O-N 3.12Å; S140-G226 CarbonylContact C-O 3.55Å; S140-G226 VanDerWaalsContact C-O 3.31Å
141	N	97.1	Very high	96.4	Very high	87 Å²	87	28.8 Å²	28.8	47%	0.465	18%	0.175	S	C	.	.	S	Bend	trans	48	39.7	179.2	-152.7	66.6	0	0	0	114.4	G226 D228	N141-G226 PolarHBondContact N-O 2.83Å; N141-D228 PolarHBondContact ND2-OD2 2.94Å; N141-D228 WeakPolarHBondContact OD1-CB 3.3Å; N141-D228 VanDerWaalsContact OD1-CG 3.29Å; N141-D228 PolarHBondContact OD1-OD2 2.93Å
142	L	98.6	Very high	96.2	Very high	16 Å²	16	30 Å²	30	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	145.9	179.5	-66.1	-174.4	0	0	0	111.4	P133 A139 S140 I181 G226 G227 D228	P133-L142 HydrophobicContact CG-CD1 3.85Å; A139-L142 HydrophobicContact CB-CD1 3.73Å; A139-L142 HydrophobicContact CB-CG 4.29Å; S140-L142 PolarHBondContact O-N 3.12Å; L142-I181 HydrophobicContact CB-CD1 4.35Å; L142-I181 HydrophobicContact CB-CG1 4.08Å; L142-I181 HydrophobicContact CD1-CG1 4.14Å; L142-G226 PolarHBondContact N-O 2.93Å; L142-G227 CarbonylContact O-C 3.55Å; L142-G227 WeakPolarHBondContact O-CA 3.17Å; L142-D228 PolarHBondContact O-N 3.29Å
143	P	98.8	Very high	96.2	Very high	10 Å²	10	30.1 Å²	30.1	7%	0.065	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	149.6	166.9	-8.4	19.1	0	0	0	111.2	V180 I181 A519 K520	P143-V180 HydrophobicContact CB-CG1 4.14Å; P143-V180 HydrophobicContact CG-CG1 4.07Å; P143-I181 PolarHBondContact O-N 3.12Å; P143-A519 WeakPolarHBondContact CB-O 3.41Å; P143-K520 HydrophobicContact CB-CG 4.37Å; P143-K520 HydrophobicContact CG-CB 4.17Å; P143-K520 HydrophobicContact CG-CD 4.49Å; P143-K520 HydrophobicContact CG-CG 3.35Å
144	V	98.9	Very high	96.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.4	-174.4	-174.7	0	0	0	0	109.2	V146 I181 V183 V218 I222 N231 I232 T233	V144-V146 HydrophobicContact CG1-CG2 4.15Å; V144-I181 CarbonylContact C-O 3.59Å; V144-I181 HydrophobicContact CG1-CG2 4.39Å; V144-I181 HydrophobicContact CG2-CB 4.42Å; V144-V183 HydrophobicContact CG1-CG2 4.02Å; V144-V218 HydrophobicContact CG1-CG1 3.8Å; V144-I222 HydrophobicContact CB-CG1 4.46Å; V144-I222 HydrophobicContact CG1-CD1 4.39Å; V144-I222 HydrophobicContact CG1-CG1 3.91Å; V144-I222 HydrophobicContact CG2-CB 4.43Å; V144-I222 HydrophobicContact CG2-CG1 3.66Å; V144-I222 HydrophobicContact CG2-CG2 3.97Å; V144-N231 PolarHBondContact N-O 2.81Å; V144-N231 VanDerWaalsContact N-O 3.08Å; V144-I232 HydrophobicContact CB-CG1 4.27Å; V144-I232 CarbonylContact O-C 3.51Å; V144-I232 WeakPolarHBondContact O-CA 3.45Å; V144-T233 PolarHBondContact O-N 2.6Å
145	M	98.9	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.6	176.2	-65	-173.3	73.9	0	0	110	L174 V180 I181 V182 V183 T233 F235 I261 W515 T516 A519	M145-L174 HydrophobicContact CE-CD2 4.4Å; M145-L174 HydrophobicContact SD-CD2 4.31Å; M145-V180 HydrophobicContact CG-CG2 4.37Å; M145-V180 HydrophobicContact SD-CG2 3.93Å; M145-I181 PolarHBondContact N-O 3.2Å; M145-V182 CarbonylContact O-C 3.51Å; M145-V182 WeakPolarHBondContact O-CA 3.15Å; M145-V183 PolarHBondContact O-N 3.12Å; M145-T233 CarbonylContact C-O 3.49Å; M145-T233 VanDerWaalsContact CA-O 3.29Å; M145-T233 WeakPolarHBondContact CA-O 3.46Å; M145-F235 HydrophobicContact CB-CD1 4.12Å; M145-F235 HydrophobicContact CB-CE1 3.78Å; M145-F235 HydrophobicContact CE-CD1 4.17Å; M145-F235 HydrophobicContact CE-CD2 4.35Å; M145-F235 HydrophobicContact CE-CE1 4.3Å; M145-F235 HydrophobicContact CE-CE2 4.46Å; M145-F235 HydrophobicContact CE-CG 4.22Å; M145-F235 HydrophobicContact CE-CZ 4.45Å; M145-I261 HydrophobicContact CE-CD1 4.23Å; M145-W515 HydrophobicContact CE-CB 4.14Å; M145-T516 HydrophobicContact SD-CG2 4.11Å; M145-A519 HydrophobicContact CE-CB 4.2Å; M145-A519 HydrophobicContact CG-CB 3.56Å; M145-A519 HydrophobicContact SD-CB 3.61Å
146	V	99	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.8	-177.1	-176.8	0	0	0	0	109.6	V144 V183 L185 I215 V218 I232 T233 V234 F235	V144-V146 HydrophobicContact CG1-CG2 4.15Å; V146-V183 HydrophobicContact CG2-CB 4.24Å; V146-L185 HydrophobicContact CG1-CD2 3.64Å; V146-I215 HydrophobicContact CG1-CG1 4.45Å; V146-V218 HydrophobicContact CG2-CG1 4.02Å; V146-V218 HydrophobicContact CG2-CG2 4.32Å; V146-I232 HydrophobicContact CG2-CG2 3.95Å; V146-T233 PolarHBondContact N-O 3.49Å; V146-V234 HydrophobicContact CB-CG1 4.28Å; V146-V234 WeakPolarHBondContact O-CA 3.46Å; V146-F235 WeakPolarHBondContact O-CD1 3.25Å; V146-F235 PolarHBondContact O-N 3.2Å
147	W	98.9	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.9	-179	176.4	-117.1	0	0	0	112.2	Y169 V183 T184 F235 E237 L486 F490	W147-Y169 AromaticContact CD1-CG 3.96Å; W147-Y169 AromaticContact CE2-CD1 3.95Å; W147-Y169 AromaticContact CE2-CE1 4Å; W147-Y169 HydrophobicContact CZ2-CD1 4.04Å; W147-Y169 AromaticContact CZ2-CE1 3.67Å; W147-Y169 HydrophobicContact CZ2-CE1 3.67Å; W147-Y169 AromaticContact CZ2-CZ 3.99Å; W147-Y169 AromaticContact NE1-CD1 3.55Å; W147-Y169 AromaticContact NE1-CD2 3.35Å; W147-Y169 AromaticContact NE1-CE1 3.83Å; W147-Y169 AromaticContact NE1-CE2 3.65Å; W147-Y169 AromaticContact NE1-CG 3.33Å; W147-Y169 VanDerWaalsContact NE1-CG 3.33Å; W147-Y169 AromaticContact NE1-CZ 3.89Å; W147-V183 WeakPolarHBondContact CB-O 3.38Å; W147-V183 PolarHBondContact N-O 3.05Å; W147-T184 HydrophobicContact CB-CG2 3.95Å; W147-T184 HydrophobicContact CG-CG2 4.26Å; W147-F235 CarbonylContact C-O 3.55Å; W147-F235 VanDerWaalsContact CA-O 3.3Å; W147-F235 WeakPolarHBondContact CA-O 3.49Å; W147-F235 HydrophobicContact CB-CD1 4.35Å; W147-F235 HydrophobicContact CB-CE1 3.64Å; W147-F235 HydrophobicContact CB-CZ 3.81Å; W147-F235 HydrophobicContact CD2-CE2 4.25Å; W147-F235 HydrophobicContact CD2-CZ 4.25Å; W147-F235 HydrophobicContact CE3-CD1 4.19Å; W147-F235 AromaticContact CE3-CD2 3.42Å; W147-F235 HydrophobicContact CE3-CD2 3.42Å; W147-F235 VanDerWaalsContact CE3-CD2 3.42Å; W147-F235 HydrophobicContact CE3-CE1 4.1Å; W147-F235 AromaticContact CE3-CE2 3.32Å; W147-F235 HydrophobicContact CE3-CE2 3.32Å; W147-F235 AromaticContact CE3-CG 3.85Å; W147-F235 HydrophobicContact CE3-CG 3.85Å; W147-F235 AromaticContact CE3-CZ 3.68Å; W147-F235 HydrophobicContact CE3-CZ 3.68Å; W147-F235 VanDerWaalsContact CE3-O 3.26Å; W147-F235 HydrophobicContact CG-CZ 4.35Å; W147-F235 AromaticContact CZ3-CD2 3.65Å; W147-F235 HydrophobicContact CZ3-CD2 3.65Å; W147-F235 AromaticContact CZ3-CE2 3.78Å; W147-F235 HydrophobicContact CZ3-CE2 3.78Å; W147-F235 HydrophobicContact CZ3-CG 4.34Å; W147-E237 HydrophobicContact CH2-CB 3.61Å; W147-E237 HydrophobicContact CZ2-CB 4.39Å; W147-E237 HydrophobicContact CZ3-CB 4.46Å; W147-L486 HydrophobicContact CH2-CD2 3.39Å; W147-L486 HydrophobicContact CZ2-CD2 3.7Å; W147-F490 HydrophobicContact CB-CZ 4.43Å; W147-F490 AromaticContact CD1-CZ 3.97Å; W147-F490 AromaticContact CD2-CE2 3.96Å; W147-F490 HydrophobicContact CD2-CE2 3.96Å; W147-F490 AromaticContact CD2-CZ 3.59Å; W147-F490 HydrophobicContact CD2-CZ 3.59Å; W147-F490 AromaticContact CE2-CE2 3.8Å; W147-F490 AromaticContact CE2-CZ 3.74Å; W147-F490 HydrophobicContact CE3-CE2 4.12Å; W147-F490 HydrophobicContact CE3-CZ 4Å; W147-F490 AromaticContact CG-CZ 3.77Å; W147-F490 HydrophobicContact CG-CZ 3.77Å; W147-F490 HydrophobicContact CH2-CE2 4Å; W147-F490 AromaticContact CZ2-CE2 3.85Å; W147-F490 HydrophobicContact CZ2-CE2 3.85Å; W147-F490 HydrophobicContact CZ2-CZ 4.27Å; W147-F490 HydrophobicContact CZ3-CE2 4.12Å; W147-F490 HydrophobicContact CZ3-CZ 4.47Å; W147-F490 AromaticContact NE1-CZ 3.93Å
148	I	98.9	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	115.9	169.5	-50.8	177.9	0	0	0	108.1	L185 Y187 Q211 F235 G236 G240 V244 Q247	I148-L185 HydrophobicContact CG1-CD2 4.28Å; I148-Y187 HydrophobicContact CG2-CD1 4.37Å; I148-Y187 HydrophobicContact CG2-CE1 3.93Å; I148-Q211 HydrophobicContact CG2-CG 4.09Å; I148-F235 PolarHBondContact N-O 3.2Å; I148-G236 WeakPolarHBondContact O-CA 3.22Å; I148-G240 WeakPolarHBondContact O-CA 3.45Å; I148-V244 HydrophobicContact CD1-CG2 4.11Å; I148-Q247 HydrophobicContact CD1-CG 4.07Å
149	Y	98.8	Very high	97.3	Very high	1 Å²	1	18 Å²	18	0%	0.004	12%	0.122	C	C	.	.			trans	-75.9	151.4	-178	61	-101.8	0	0	0	113.1	A157 Y169 L185 Y187 V189	Y149-A157 WeakPolarHBondContact CD1-O 3.17Å; Y149-Y169 HydrophobicContact CG-CE2 4.49Å; Y149-L185 WeakPolarHBondContact CD1-O 3.43Å; Y149-L185 WeakPolarHBondContact CE1-O 3.48Å; Y149-Y187 HydrophobicContact CD1-CD1 4.29Å; Y149-Y187 AromaticContact CD1-CE1 3.96Å; Y149-Y187 HydrophobicContact CD1-CE1 3.96Å; Y149-Y187 HydrophobicContact CD2-CD1 4.47Å; Y149-Y187 AromaticContact CD2-CE1 3.54Å; Y149-Y187 HydrophobicContact CD2-CE1 3.54Å; Y149-Y187 AromaticContact CD2-CZ 3.93Å; Y149-Y187 AromaticContact CE1-CD1 3.71Å; Y149-Y187 HydrophobicContact CE1-CD1 3.71Å; Y149-Y187 AromaticContact CE1-CE1 3.71Å; Y149-Y187 HydrophobicContact CE1-CE1 3.71Å; Y149-Y187 AromaticContact CE2-CD1 3.89Å; Y149-Y187 HydrophobicContact CE2-CD1 3.89Å; Y149-Y187 AromaticContact CE2-CE1 3.22Å; Y149-Y187 HydrophobicContact CE2-CE1 3.22Å; Y149-Y187 HydrophobicContact CE2-CE2 4.42Å; Y149-Y187 AromaticContact CE2-CZ 3.53Å; Y149-Y187 AromaticContact CG-CE1 3.9Å; Y149-Y187 HydrophobicContact CG-CE1 3.9Å; Y149-Y187 AromaticContact CZ-CD1 3.45Å; Y149-Y187 VanDerWaalsContact CZ-CD1 3.45Å; Y149-Y187 AromaticContact CZ-CE1 3.31Å; Y149-Y187 AromaticContact CZ-CZ 4Å; Y149-Y187 WeakPolarHBondContact O-CE1 3.35Å; Y149-Y187 PolarHBondContact O-OH 3.31Å; Y149-Y187 PolarHBondContact OH-N 2.91Å; Y149-Y187 PolarHBondContact OH-O 3.49Å; Y149-V189 HydrophobicContact CE2-CG1 4.22Å
150	G	98.1	Very high	97.5	Very high	6 Å²	6	17.5 Å²	17.5	6%	0.062	12%	0.119	C	C	.	.			trans	-88.3	-173.4	169.6	0	0	0	0	0	114.7	E237	G150-E237 VanDerWaalsContact CA-O 3.25Å; G150-E237 WeakPolarHBondContact CA-O 3.49Å; G150-E237 PolarHBondContact N-O 3.5Å
151	G	95.8	Very high	97.3	Very high	23 Å²	23	16.3 Å²	16.3	24%	0.237	12%	0.115	C	C	.	.	S	Bend	trans	135.5	39.3	-176.8	0	0	0	0	0	113.5	F153 L154 V155	G151-F153 PolarHBondContact O-N 3.08Å; G151-L154 PolarHBondContact O-N 3.04Å; G151-V155 WeakPolarHBondContact CA-O 3.32Å; G151-V155 PolarHBondContact O-N 2.73Å; G151-V155 VanDerWaalsContact O-N 3.08Å
152	A	95.4	Very high	97	Very high	30 Å²	30	15.5 Å²	15.5	25%	0.248	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	26.3	-179.6	0	0	0	0	0	114.7	L154 L328	A152-L154 HydrophobicContact CB-CD1 4.46Å; A152-L154 PolarHBondContact O-N 3.18Å; A152-L328 HydrophobicContact CB-CD2 4.22Å
153	F	97.9	Very high	96.2	Very high	2 Å²	2	22 Å²	22	1%	0.009	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	6.1	-169.8	-57.2	-74.8	0	0	0	115.3	G151 V189 G190 F194 A239 A242 S243 F246 W271 L330 P332	G151-F153 PolarHBondContact O-N 3.08Å; F153-V189 CarbonylContact O-C 2.9Å; F153-V189 WeakPolarHBondContact O-CA 3.46Å; F153-V189 VanDerWaalsContact O-CB 3.31Å; F153-V189 WeakPolarHBondContact O-CB 3.25Å; F153-G190 PolarHBondContact O-N 3.24Å; F153-F194 HydrophobicContact CB-CD2 3.85Å; F153-F194 HydrophobicContact CB-CE2 3.68Å; F153-F194 HydrophobicContact CB-CG 4.49Å; F153-F194 HydrophobicContact CB-CZ 4.19Å; F153-F194 AromaticContact CD1-CE1 3.97Å; F153-F194 HydrophobicContact CD1-CE1 3.97Å; F153-F194 AromaticContact CD1-CE2 3.83Å; F153-F194 HydrophobicContact CD1-CE2 3.83Å; F153-F194 AromaticContact CD1-CZ 3.46Å; F153-F194 HydrophobicContact CD1-CZ 3.46Å; F153-F194 VanDerWaalsContact CD1-CZ 3.46Å; F153-F194 HydrophobicContact CE1-CE1 4.45Å; F153-F194 HydrophobicContact CE1-CZ 4.21Å; F153-F194 HydrophobicContact CG-CE2 4.18Å; F153-F194 HydrophobicContact CG-CZ 4.18Å; F153-A239 HydrophobicContact CD1-CB 3.85Å; F153-A239 HydrophobicContact CD2-CB 3.79Å; F153-A239 HydrophobicContact CE1-CB 3.86Å; F153-A239 WeakPolarHBondContact CE1-O 3.36Å; F153-A239 HydrophobicContact CE2-CB 3.8Å; F153-A239 HydrophobicContact CG-CB 3.82Å; F153-A239 HydrophobicContact CZ-CB 3.83Å; F153-A239 WeakPolarHBondContact CZ-O 3.06Å; F153-A242 HydrophobicContact CZ-CB 4.11Å; F153-S243 WeakPolarHBondContact CE1-OG 3.3Å; F153-F246 HydrophobicContact CZ-CE2 4.25Å; F153-W271 HydrophobicContact CE2-CE3 4.03Å; F153-W271 AromaticContact CE2-CZ3 3.7Å; F153-W271 HydrophobicContact CE2-CZ3 3.7Å; F153-W271 HydrophobicContact CZ-CZ3 4.35Å; F153-L330 VanDerWaalsContact CB-O 3.26Å; F153-L330 WeakPolarHBondContact CB-O 3.44Å; F153-P332 HydrophobicContact CD1-CG 4.48Å; F153-P332 HydrophobicContact CE1-CG 3.96Å; F153-P332 HydrophobicContact CE2-CG 4.35Å; F153-P332 HydrophobicContact CZ-CG 3.9Å
154	L	95.4	Very high	95.4	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-36.3	-175.8	-72	173.6	0	0	0	113.2	G151 A152 V189 I314 L330	G151-L154 PolarHBondContact O-N 3.04Å; A152-L154 HydrophobicContact CB-CD1 4.46Å; A152-L154 PolarHBondContact O-N 3.18Å; L154-V189 VanDerWaalsContact O-CG2 3.31Å; L154-V189 WeakPolarHBondContact O-CG2 3.34Å; L154-I314 HydrophobicContact CD1-CB 4.48Å; L154-I314 HydrophobicContact CD1-CD1 3.74Å; L154-I314 HydrophobicContact CD1-CG1 3.99Å; L154-I314 HydrophobicContact CD1-CG2 3.69Å; L154-L330 HydrophobicContact CD2-CB 3.65Å; L154-L330 HydrophobicContact CD2-CD1 3.48Å; L154-L330 VanDerWaalsContact CD2-CD1 3.48Å; L154-L330 HydrophobicContact CD2-CG 4.18Å
155	V	96.3	Very high	94.6	Very high	44 Å²	44	35.4 Å²	35.4	27%	0.267	21%	0.209	S	C	.	.	S	Bend	trans	-141.8	168.6	-173.8	-64.4	0	0	0	0	110.1	Q111 L112 G151	Q111-V155 HydrophobicContact CB-CG1 4.46Å; L112-V155 HydrophobicContact CB-CG1 4.41Å; L112-V155 WeakPolarHBondContact O-CG1 3.44Å; G151-V155 WeakPolarHBondContact CA-O 3.32Å; G151-V155 PolarHBondContact O-N 2.73Å; G151-V155 VanDerWaalsContact O-N 3.08Å
156	G	96.9	Very high	94.1	Very high	15 Å²	15	37 Å²	37	16%	0.155	22%	0.218	C	C	.	.			trans	136.2	169.9	175.8	0	0	0	0	0	113	Q111	Q111-G156 PolarHBondContact NE2-O 3.49Å; Q111-G156 PolarHBondContact OE1-O 2.74Å
157	A	97.8	Very high	94	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	23%	0.231	C	C	.	.			trans	-159.2	150.9	179.7	0	0	0	0	0	112.1	R108 Y149 Q159 G160 Y169	R108-A157 HydrophobicContact CB-CB 3.7Å; R108-A157 HydrophobicContact CG-CB 4.47Å; Y149-A157 WeakPolarHBondContact CD1-O 3.17Å; A157-Q159 HydrophobicContact CB-CG 4.46Å; A157-Q159 VanDerWaalsContact CB-OE1 3.31Å; A157-Q159 PolarHBondContact O-N 3.25Å; A157-Q159 VanDerWaalsContact O-N 3.08Å; A157-G160 PolarHBondContact O-N 3.44Å; A157-Y169 WeakPolarHBondContact O-CD2 3.41Å
158	S	97.9	Very high	93.9	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.063	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.6	-178.7	70.8	0	0	0	0	114.7	N129 T184 L185	N129-S158 WeakPolarHBondContact ND2-CB 3.44Å; N129-S158 PolarHBondContact ND2-OG 3.31Å; S158-T184 WeakPolarHBondContact O-CB 3.46Å; S158-T184 PolarHBondContact O-OG1 3.07Å; S158-L185 VanDerWaalsContact CB-C 3.44Å; S158-L185 WeakPolarHBondContact CB-O 3.46Å
159	Q	96.6	Very high	93.8	Very high	15 Å²	15	43.3 Å²	43.3	7%	0.07	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-17.7	177.3	66.5	-87.9	37.1	0	0	113.4	F105 A157 Y167 Y169	F105-Q159 HydrophobicContact CD1-CB 3.77Å; F105-Q159 HydrophobicContact CD2-CB 3.83Å; F105-Q159 HydrophobicContact CD2-CG 4.42Å; F105-Q159 HydrophobicContact CE1-CB 3.69Å; F105-Q159 HydrophobicContact CE2-CB 3.75Å; F105-Q159 HydrophobicContact CG-CB 3.84Å; F105-Q159 HydrophobicContact CG-CG 4.39Å; F105-Q159 HydrophobicContact CZ-CB 3.68Å; A157-Q159 HydrophobicContact CB-CG 4.46Å; A157-Q159 VanDerWaalsContact CB-OE1 3.31Å; A157-Q159 PolarHBondContact O-N 3.25Å; A157-Q159 VanDerWaalsContact O-N 3.08Å; Q159-Y167 HydrophobicContact CB-CD1 3.62Å; Q159-Y167 HydrophobicContact CB-CE1 4.01Å; Q159-Y167 HydrophobicContact CB-CG 4.18Å; Q159-Y167 HydrophobicContact CG-CD1 3.63Å; Q159-Y167 HydrophobicContact CG-CE1 3.62Å; Q159-Y167 WeakPolarHBondContact O-CB 3.48Å; Q159-Y169 PolarHBondContact O-N 2.71Å
160	G	96.1	Very high	93.8	Very high	6 Å²	6	44.3 Å²	44.3	6%	0.062	25%	0.252	C	S	.	.			trans	70.9	-171.3	-173.7	0	0	0	0	0	113.9	A157 Y169	A157-G160 PolarHBondContact O-N 3.44Å; G160-Y169 VanDerWaalsContact CA-CE2 3.44Å; G160-Y169 VanDerWaalsContact N-CD2 3.25Å
161	A	92.1	Very high	93.8	Very high	71 Å²	71	44 Å²	44	59%	0.587	25%	0.249	S	C	*	.			trans	-65.8	147.9	174.6	0	0	0	0	0	110.7	Y167 L168	A161-Y167 CarbonylContact O-C 3.59Å; A161-Y167 WeakPolarHBondContact O-CA 3.16Å; A161-L168 PolarHBondContact O-N 3.4Å
162	N	90.3	Very high	93.9	Very high	70 Å²	70	46 Å²	46	37%	0.374	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129	177.4	-172.7	14.1	0	0	0	110	D165 N166 Y167	N162-D165 VanDerWaalsContact OD1-C 3.26Å; N162-D165 WeakPolarHBondContact OD1-CA 3.48Å; N162-D165 PolarHBondContact OD1-N 3.24Å; N162-D165 VanDerWaalsContact OD1-N 3.16Å; N162-N166 PolarHBondContact OD1-N 3.49Å; N162-Y167 HydrophobicContact CB-CD1 3.77Å; N162-Y167 HydrophobicContact CB-CE1 3.62Å; N162-Y167 HydrophobicContact CB-CG 4.46Å
163	F	82.2	Confident	94	Very high	153 Å²	153	45.7 Å²	45.7	67%	0.671	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.7	168.9	-176.4	-99.9	0	0	0	109.3	D165 N166	F163-D165 PolarHBondContact O-N 2.84Å; F163-N166 PolarHBondContact N-O 3.31Å; F163-N166 VanDerWaalsContact O-CB 3.25Å; F163-N166 WeakPolarHBondContact O-CB 3.47Å; F163-N166 PolarHBondContact O-N 3.31Å
164	L	81.1	Confident	94	Very high	150 Å²	150	45.6 Å²	45.6	79%	0.785	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	50.5	-178.9	-57.1	176.2	0	0	0	113.4	N166	L164-N166 PolarHBondContact O-N 2.86Å; L164-N166 VanDerWaalsContact O-N 3.13Å
165	D	82	Confident	94.1	Very high	141 Å²	141	45.3 Å²	45.3	75%	0.754	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	17.5	-175.8	-64	-31.9	0	0	0	115.3	N162 F163	N162-D165 VanDerWaalsContact OD1-C 3.26Å; N162-D165 WeakPolarHBondContact OD1-CA 3.48Å; N162-D165 PolarHBondContact OD1-N 3.24Å; N162-D165 VanDerWaalsContact OD1-N 3.16Å; F163-D165 PolarHBondContact O-N 2.84Å
166	N	88.6	Confident	94.2	Very high	33 Å²	33	44.6 Å²	44.6	18%	0.176	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	96.3	169.1	-167.6	4.4	0	0	0	110.8	N162 F163 L164 K492 S495 T496	N162-N166 PolarHBondContact OD1-N 3.49Å; F163-N166 PolarHBondContact N-O 3.31Å; F163-N166 VanDerWaalsContact O-CB 3.25Å; F163-N166 WeakPolarHBondContact O-CB 3.47Å; F163-N166 PolarHBondContact O-N 3.31Å; L164-N166 PolarHBondContact O-N 2.86Å; L164-N166 VanDerWaalsContact O-N 3.13Å; N166-K492 PolarHBondContact OD1-NZ 3.12Å; N166-S495 PolarHBondContact ND2-OG 3.04Å; N166-T496 HydrophobicContact CB-CG2 4.49Å; N166-T496 WeakPolarHBondContact ND2-CG2 3.35Å
167	Y	96.2	Very high	94.2	Very high	72 Å²	72	48.6 Å²	48.6	28%	0.282	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126.6	175	-77.2	-74.5	0	0	0	111.7	F105 Q159 A161 N162 Y169 S170 K492	F105-Y167 HydrophobicContact CD2-CD2 4.28Å; F105-Y167 HydrophobicContact CD2-CE1 4.44Å; F105-Y167 AromaticContact CD2-CE2 3.96Å; F105-Y167 HydrophobicContact CD2-CE2 3.96Å; F105-Y167 HydrophobicContact CE2-CD1 4.39Å; F105-Y167 AromaticContact CE2-CD2 3.63Å; F105-Y167 HydrophobicContact CE2-CD2 3.63Å; F105-Y167 AromaticContact CE2-CE2 3.77Å; F105-Y167 HydrophobicContact CE2-CE2 3.77Å; F105-Y167 AromaticContact CE2-CG 3.94Å; F105-Y167 HydrophobicContact CE2-CG 3.94Å; Q159-Y167 HydrophobicContact CB-CD1 3.62Å; Q159-Y167 HydrophobicContact CB-CE1 4.01Å; Q159-Y167 HydrophobicContact CB-CG 4.18Å; Q159-Y167 HydrophobicContact CG-CD1 3.63Å; Q159-Y167 HydrophobicContact CG-CE1 3.62Å; Q159-Y167 WeakPolarHBondContact O-CB 3.48Å; A161-Y167 CarbonylContact O-C 3.59Å; A161-Y167 WeakPolarHBondContact O-CA 3.16Å; N162-Y167 HydrophobicContact CB-CD1 3.77Å; N162-Y167 HydrophobicContact CB-CE1 3.62Å; N162-Y167 HydrophobicContact CB-CG 4.46Å; Y167-Y169 PolarHBondContact O-N 2.77Å; Y167-Y169 VanDerWaalsContact O-N 3.15Å; Y167-S170 WeakPolarHBondContact O-CB 3.4Å; Y167-S170 PolarHBondContact O-N 2.98Å; Y167-K492 WeakPolarHBondContact O-CE 3.28Å; Y167-K492 PolarHBondContact O-NZ 3.03Å
168	L	96.8	Very high	94.2	Very high	41 Å²	41	48.5 Å²	48.5	22%	0.215	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-43.8	-176.1	-177	59.6	0	0	0	112.4	A161 L486 F490 K492	A161-L168 PolarHBondContact O-N 3.4Å; L168-L486 HydrophobicContact CD1-CB 4.49Å; L168-L486 HydrophobicContact CD2-CD1 4.05Å; L168-F490 VanDerWaalsContact O-CB 3.3Å; L168-F490 WeakPolarHBondContact O-CB 3.46Å; L168-F490 WeakPolarHBondContact O-CG 3.5Å; L168-K492 VanDerWaalsContact CA-CE 3.46Å; L168-K492 HydrophobicContact CD1-CG 4.32Å; L168-K492 WeakPolarHBondContact O-CE 3.49Å; L168-K492 PolarHBondContact O-NZ 2.85Å
169	Y	98.4	Very high	94.2	Very high	19 Å²	19	50.5 Å²	50.5	8%	0.075	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	20.8	-177	-51.4	-36.3	0	0	0	113.9	W147 Y149 A157 Q159 G160 Y167 G171 L486 F490	W147-Y169 AromaticContact CD1-CG 3.96Å; W147-Y169 AromaticContact CE2-CD1 3.95Å; W147-Y169 AromaticContact CE2-CE1 4Å; W147-Y169 HydrophobicContact CZ2-CD1 4.04Å; W147-Y169 AromaticContact CZ2-CE1 3.67Å; W147-Y169 HydrophobicContact CZ2-CE1 3.67Å; W147-Y169 AromaticContact CZ2-CZ 3.99Å; W147-Y169 AromaticContact NE1-CD1 3.55Å; W147-Y169 AromaticContact NE1-CD2 3.35Å; W147-Y169 AromaticContact NE1-CE1 3.83Å; W147-Y169 AromaticContact NE1-CE2 3.65Å; W147-Y169 AromaticContact NE1-CG 3.33Å; W147-Y169 VanDerWaalsContact NE1-CG 3.33Å; W147-Y169 AromaticContact NE1-CZ 3.89Å; Y149-Y169 HydrophobicContact CG-CE2 4.49Å; A157-Y169 WeakPolarHBondContact O-CD2 3.41Å; Q159-Y169 PolarHBondContact O-N 2.71Å; G160-Y169 VanDerWaalsContact CA-CE2 3.44Å; G160-Y169 VanDerWaalsContact N-CD2 3.25Å; Y167-Y169 PolarHBondContact O-N 2.77Å; Y167-Y169 VanDerWaalsContact O-N 3.15Å; Y169-G171 PolarHBondContact O-N 3.44Å; Y169-L486 HydrophobicContact CE1-CD1 4.06Å; Y169-L486 HydrophobicContact CE1-CD2 4.22Å; Y169-F490 AromaticContact CD1-CD2 3.94Å; Y169-F490 HydrophobicContact CD1-CD2 3.94Å; Y169-F490 HydrophobicContact CD1-CE1 4.42Å; Y169-F490 AromaticContact CD1-CE2 3.54Å; Y169-F490 HydrophobicContact CD1-CE2 3.54Å; Y169-F490 AromaticContact CD1-CZ 3.81Å; Y169-F490 HydrophobicContact CD1-CZ 3.81Å; Y169-F490 HydrophobicContact CE1-CE2 4.19Å; Y169-F490 HydrophobicContact CG-CE2 4.39Å; Y169-F490 HydrophobicContact CG-CZ 4.22Å
170	S	98	Very high	94.3	Very high	23 Å²	23	49.8 Å²	49.8	16%	0.161	25%	0.254	C	S	.	.			trans	-57.9	115.4	170.2	-177.9	0	0	0	0	109.8	Y167 Q172	Y167-S170 WeakPolarHBondContact O-CB 3.4Å; Y167-S170 PolarHBondContact O-N 2.98Å; S170-Q172 PolarHBondContact O-N 2.87Å; S170-Q172 VanDerWaalsContact O-N 3.16Å
171	G	97.9	Very high	94.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.			trans	-72.6	-0.4	-177.6	0	0	0	0	0	115	Y169 L174 A175	Y169-G171 PolarHBondContact O-N 3.44Å; G171-L174 PolarHBondContact O-N 2.92Å; G171-A175 WeakPolarHBondContact O-CB 3.36Å; G171-A175 PolarHBondContact O-N 2.57Å
172	Q	97.8	Very high	94.8	Very high	64 Å²	64	46.1 Å²	46.1	30%	0.299	22%	0.223	S	C	.	.	H	α-helix	trans	-58.8	-54.1	-170.8	-178.9	178.2	-29.3	0	0	113.3	L66 M72 S170 L174 A175 E176	L66-Q172 HydrophobicContact CD2-CG 4.39Å; M72-Q172 HydrophobicContact CE-CG 3.95Å; M72-Q172 HydrophobicContact SD-CB 4.2Å; M72-Q172 HydrophobicContact SD-CG 3.93Å; S170-Q172 PolarHBondContact O-N 2.87Å; S170-Q172 VanDerWaalsContact O-N 3.16Å; Q172-L174 PolarHBondContact O-N 2.77Å; Q172-A175 PolarHBondContact O-N 2.84Å; Q172-E176 VanDerWaalsContact O-CB 3.25Å; Q172-E176 WeakPolarHBondContact O-CB 3.41Å; Q172-E176 PolarHBondContact O-N 3.07Å
173	E	97.9	Very high	95.2	Very high	23 Å²	23	42.8 Å²	42.8	11%	0.107	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-42.1	-176.6	-71	-73.6	171.3	0	0	111.8	R177 F494	E173-R177 VanDerWaalsContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CB 3.21Å; E173-R177 VanDerWaalsContact O-CG 3.29Å; E173-R177 WeakPolarHBondContact O-CG 3.28Å; E173-R177 PolarHBondContact O-N 2.77Å; E173-R177 IonicContact OE2-CZ 3.58Å; E173-R177 IonicContact OE2-NE 3.59Å; E173-R177 PolarHBondContact OE2-NE 3.22Å; E173-R177 IonicContact OE2-NH2 3.49Å; E173-R177 PolarHBondContact OE2-NH2 3.03Å; E173-F494 WeakPolarHBondContact OE2-CB 3.39Å
174	L	97.9	Very high	96	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-44.4	178.4	-175.9	63.7	0	0	0	111.3	M145 G171 Q172 G178 V182 F235 I512 T516	M145-L174 HydrophobicContact CE-CD2 4.4Å; M145-L174 HydrophobicContact SD-CD2 4.31Å; G171-L174 PolarHBondContact O-N 2.92Å; Q172-L174 PolarHBondContact O-N 2.77Å; L174-G178 WeakPolarHBondContact O-CA 3.25Å; L174-G178 PolarHBondContact O-N 3.27Å; L174-V182 HydrophobicContact CB-CG2 4.1Å; L174-V182 HydrophobicContact CD2-CG2 3.92Å; L174-V182 HydrophobicContact CG-CG2 3.95Å; L174-F235 HydrophobicContact CD2-CE2 4.06Å; L174-F235 HydrophobicContact CD2-CZ 3.76Å; L174-I512 HydrophobicContact CD1-CB 4.49Å; L174-I512 HydrophobicContact CD1-CG1 4.15Å; L174-I512 HydrophobicContact CD1-CG2 4.22Å; L174-T516 HydrophobicContact CD1-CG2 3.48Å; L174-T516 VanDerWaalsContact CD1-CG2 3.48Å; L174-T516 HydrophobicContact CG-CG2 4.28Å
175	A	98.4	Very high	96.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-48.4	178.1	0	0	0	0	0	112.1	M72 W131 P133 G171 Q172 N179 V180 V182	M72-A175 HydrophobicContact CE-CB 4.03Å; W131-A175 HydrophobicContact CB-CB 4.02Å; P133-A175 HydrophobicContact CG-CB 4.45Å; P133-A175 WeakPolarHBondContact CG-O 3.44Å; G171-A175 WeakPolarHBondContact O-CB 3.36Å; G171-A175 PolarHBondContact O-N 2.57Å; Q172-A175 PolarHBondContact O-N 2.84Å; A175-N179 VanDerWaalsContact O-CA 3.23Å; A175-N179 WeakPolarHBondContact O-CA 3.25Å; A175-N179 PolarHBondContact O-N 2.9Å; A175-V180 VanDerWaalsContact CA-O 3.28Å; A175-V180 WeakPolarHBondContact CA-O 3.4Å; A175-V180 VanDerWaalsContact CB-O 3.32Å; A175-V180 WeakPolarHBondContact CB-O 3.36Å; A175-V180 PolarHBondContact O-N 2.95Å; A175-V182 HydrophobicContact CB-CB 4.44Å; A175-V182 HydrophobicContact CB-CG2 3.89Å
176	E	97.3	Very high	97.6	Very high	30 Å²	30	21.9 Å²	21.9	14%	0.14	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-52.5	-177.4	-179.3	178.4	175	0	0	111.9	L66 R70 M72 Q172	L66-E176 HydrophobicContact CD1-CB 4.16Å; L66-E176 VanDerWaalsContact CD1-CD 3.5Å; L66-E176 HydrophobicContact CD1-CG 3.76Å; R70-E176 IonicContact CZ-OE1 2.77Å; R70-E176 IonicContact NH1-OE1 3.81Å; R70-E176 PolarHBondContact NH1-OE1 2.97Å; R70-E176 IonicContact NH2-OE1 2.7Å; M72-E176 HydrophobicContact CE-CB 3.88Å; Q172-E176 VanDerWaalsContact O-CB 3.25Å; Q172-E176 WeakPolarHBondContact O-CB 3.41Å; Q172-E176 PolarHBondContact O-N 3.07Å
177	R	97.3	Very high	98.1	Very high	99 Å²	99	20.3 Å²	20.3	37%	0.374	9%	0.094	S	C	.	.	H	α-helix	trans	-72	-41.9	-176.5	-66.6	171.4	177.4	-83.2	-13.1	111.6	E173 N179 F494 I512	E173-R177 VanDerWaalsContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CB 3.21Å; E173-R177 VanDerWaalsContact O-CG 3.29Å; E173-R177 WeakPolarHBondContact O-CG 3.28Å; E173-R177 PolarHBondContact O-N 2.77Å; E173-R177 IonicContact OE2-CZ 3.58Å; E173-R177 IonicContact OE2-NE 3.59Å; E173-R177 PolarHBondContact OE2-NE 3.22Å; E173-R177 IonicContact OE2-NH2 3.49Å; E173-R177 PolarHBondContact OE2-NH2 3.03Å; R177-N179 VanDerWaalsContact C-N 3.3Å; R177-F494 VanDerWaalsContact CZ-CD2 3.46Å; R177-I512 HydrophobicContact CB-CG2 3.8Å
178	G	97.7	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-74.5	-19.2	-179.7	0	0	0	0	0	113.8	L174 V180 K520	L174-G178 WeakPolarHBondContact O-CA 3.25Å; L174-G178 PolarHBondContact O-N 3.27Å; G178-V180 VanDerWaalsContact C-N 3.34Å; G178-K520 WeakPolarHBondContact O-CE 3.4Å; G178-K520 PolarHBondContact O-NZ 3.18Å
179	N	97.9	Very high	98.3	Very high	50 Å²	50	15.6 Å²	15.6	27%	0.267	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	58.6	-165.6	-170	30.7	0	0	0	111.4	I135 A175 R177	I135-N179 HydrophobicContact CD1-CB 3.79Å; A175-N179 VanDerWaalsContact O-CA 3.23Å; A175-N179 WeakPolarHBondContact O-CA 3.25Å; A175-N179 PolarHBondContact O-N 2.9Å; R177-N179 VanDerWaalsContact C-N 3.3Å
180	V	98.8	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.			trans	-135.5	155.9	179.1	-64.6	0	0	0	0	109.3	P133 P143 M145 A175 G178 V182 T516	P133-V180 VanDerWaalsContact CD-O 3.25Å; P133-V180 WeakPolarHBondContact CD-O 3.4Å; P133-V180 WeakPolarHBondContact CG-O 3.44Å; P143-V180 HydrophobicContact CB-CG1 4.14Å; P143-V180 HydrophobicContact CG-CG1 4.07Å; M145-V180 HydrophobicContact CG-CG2 4.37Å; M145-V180 HydrophobicContact SD-CG2 3.93Å; A175-V180 VanDerWaalsContact CA-O 3.28Å; A175-V180 WeakPolarHBondContact CA-O 3.4Å; A175-V180 VanDerWaalsContact CB-O 3.32Å; A175-V180 WeakPolarHBondContact CB-O 3.36Å; A175-V180 PolarHBondContact O-N 2.95Å; G178-V180 VanDerWaalsContact C-N 3.34Å; V180-V182 HydrophobicContact CG2-CG2 4.16Å; V180-T516 HydrophobicContact CG1-CG2 4.47Å; V180-T516 HydrophobicContact CG2-CG2 4.06Å
181	I	98.9	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132.2	167.6	-65.7	179	0	0	0	108.4	I130 W131 V132 L142 P143 V144 M145 V183 I222 F225 G227	I130-I181 HydrophobicContact CG2-CG2 3.67Å; W131-I181 WeakPolarHBondContact O-CA 3.48Å; V132-I181 HydrophobicContact CG1-CD1 4.24Å; V132-I181 HydrophobicContact CG1-CG1 4.25Å; V132-I181 HydrophobicContact CG2-CD1 4.32Å; V132-I181 HydrophobicContact CG2-CG1 4.38Å; L142-I181 HydrophobicContact CB-CD1 4.35Å; L142-I181 HydrophobicContact CB-CG1 4.08Å; L142-I181 HydrophobicContact CD1-CG1 4.14Å; P143-I181 PolarHBondContact O-N 3.12Å; V144-I181 CarbonylContact C-O 3.59Å; V144-I181 HydrophobicContact CG1-CG2 4.39Å; V144-I181 HydrophobicContact CG2-CB 4.42Å; M145-I181 PolarHBondContact N-O 3.2Å; I181-V183 HydrophobicContact CG2-CG2 4.21Å; I181-I222 HydrophobicContact CD1-CG1 4.39Å; I181-I222 HydrophobicContact CG2-CD1 4.04Å; I181-I222 HydrophobicContact CG2-CG1 4.48Å; I181-F225 WeakPolarHBondContact CD1-O 3.4Å; I181-G227 VanDerWaalsContact CD1-CA 3.44Å; I181-G227 VanDerWaalsContact CD1-N 3.34Å
182	V	98.9	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.3	173.5	179.5	0	0	0	0	109	I130 W131 M145 L174 A175 V180	I130-V182 WeakPolarHBondContact CA-O 3.49Å; W131-V182 HydrophobicContact CE3-CG1 4.48Å; W131-V182 PolarHBondContact N-O 2.81Å; W131-V182 PolarHBondContact O-N 2.88Å; W131-V182 VanDerWaalsContact O-N 3.16Å; M145-V182 CarbonylContact O-C 3.51Å; M145-V182 WeakPolarHBondContact O-CA 3.15Å; L174-V182 HydrophobicContact CB-CG2 4.1Å; L174-V182 HydrophobicContact CD2-CG2 3.92Å; L174-V182 HydrophobicContact CG-CG2 3.95Å; A175-V182 HydrophobicContact CB-CB 4.44Å; A175-V182 HydrophobicContact CB-CG2 3.89Å; V180-V182 HydrophobicContact CG2-CG2 4.16Å
183	V	99	Very high	98.2	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.5	175.2	-176.5	0	0	0	0	108.8	L128 N129 I130 V144 M145 V146 W147 I181 V218 I222	L128-V183 HydrophobicContact CB-CG1 4.26Å; L128-V183 HydrophobicContact CD1-CG1 4.4Å; L128-V183 HydrophobicContact CD2-CG1 4.49Å; N129-V183 CarbonylContact O-C 3.31Å; N129-V183 WeakPolarHBondContact O-CA 3.27Å; I130-V183 HydrophobicContact CG1-CG2 4.31Å; I130-V183 HydrophobicContact CG2-CG2 4.4Å; V144-V183 HydrophobicContact CG1-CG2 4.02Å; M145-V183 PolarHBondContact O-N 3.12Å; V146-V183 HydrophobicContact CG2-CB 4.24Å; W147-V183 WeakPolarHBondContact CB-O 3.38Å; W147-V183 PolarHBondContact N-O 3.05Å; I181-V183 HydrophobicContact CG2-CG2 4.21Å; V183-V218 HydrophobicContact CG1-CG2 3.94Å; V183-V218 HydrophobicContact CG2-CG2 4.32Å; V183-I222 HydrophobicContact CG2-CD1 4.21Å
184	T	98.9	Very high	98.3	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.8	167.1	71.5	0	0	0	0	109.7	L128 N129 W131 W147 S158	L128-T184 CarbonylContact C-O 3.48Å; L128-T184 WeakPolarHBondContact CA-O 3.41Å; L128-T184 VanDerWaalsContact CB-O 3.32Å; L128-T184 WeakPolarHBondContact CB-O 3.47Å; N129-T184 PolarHBondContact N-O 3.47Å; N129-T184 PolarHBondContact ND2-OG1 3.11Å; N129-T184 PolarHBondContact O-N 3.23Å; W131-T184 HydrophobicContact CH2-CG2 4.2Å; W131-T184 HydrophobicContact CZ3-CG2 3.77Å; W147-T184 HydrophobicContact CB-CG2 3.95Å; W147-T184 HydrophobicContact CG-CG2 4.26Å; S158-T184 WeakPolarHBondContact O-CB 3.46Å; S158-T184 PolarHBondContact O-OG1 3.07Å
185	L	98.7	Very high	98.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.1	-174.1	64.9	92.5	0	0	0	112.4	L128 V146 I148 Y149 S158 Y187 Q211 A214	L128-L185 HydrophobicContact CB-CB 4.23Å; V146-L185 HydrophobicContact CG1-CD2 3.64Å; I148-L185 HydrophobicContact CG1-CD2 4.28Å; Y149-L185 WeakPolarHBondContact CD1-O 3.43Å; Y149-L185 WeakPolarHBondContact CE1-O 3.48Å; S158-L185 VanDerWaalsContact CB-C 3.44Å; S158-L185 WeakPolarHBondContact CB-O 3.46Å; L185-Y187 HydrophobicContact CD1-CD1 4.01Å; L185-Q211 HydrophobicContact CD1-CB 4.48Å; L185-Q211 HydrophobicContact CD1-CG 4.05Å; L185-A214 HydrophobicContact CB-CB 3.96Å; L185-A214 HydrophobicContact CD1-CB 4.4Å; L185-A214 HydrophobicContact CD2-CB 3.76Å; L185-A214 HydrophobicContact CG-CB 4.26Å
186	G	98.6	Very high	98.2	Very high	4 Å²	4	10.7 Å²	10.7	4%	0.041	5%	0.05	C	C	.	.			trans	-88	142.4	167	0	0	0	0	0	111.6	F80 Y127	F80-G186 WeakPolarHBondContact CE1-O 3.38Å; F80-G186 VanDerWaalsContact CZ-O 3.23Å; F80-G186 WeakPolarHBondContact CZ-O 3.24Å; Y127-G186 PolarHBondContact O-N 2.98Å
187	Y	98.9	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.			trans	-144.5	152.2	172	68.4	-88.6	0	0	0	111.1	C109 I148 Y149 L185 V189 F194 Q211	C109-Y187 PolarHBondContact SG-O 2.82Å; I148-Y187 HydrophobicContact CG2-CD1 4.37Å; I148-Y187 HydrophobicContact CG2-CE1 3.93Å; Y149-Y187 HydrophobicContact CD1-CD1 4.29Å; Y149-Y187 AromaticContact CD1-CE1 3.96Å; Y149-Y187 HydrophobicContact CD1-CE1 3.96Å; Y149-Y187 HydrophobicContact CD2-CD1 4.47Å; Y149-Y187 AromaticContact CD2-CE1 3.54Å; Y149-Y187 HydrophobicContact CD2-CE1 3.54Å; Y149-Y187 AromaticContact CD2-CZ 3.93Å; Y149-Y187 AromaticContact CE1-CD1 3.71Å; Y149-Y187 HydrophobicContact CE1-CD1 3.71Å; Y149-Y187 AromaticContact CE1-CE1 3.71Å; Y149-Y187 HydrophobicContact CE1-CE1 3.71Å; Y149-Y187 AromaticContact CE2-CD1 3.89Å; Y149-Y187 HydrophobicContact CE2-CD1 3.89Å; Y149-Y187 AromaticContact CE2-CE1 3.22Å; Y149-Y187 HydrophobicContact CE2-CE1 3.22Å; Y149-Y187 HydrophobicContact CE2-CE2 4.42Å; Y149-Y187 AromaticContact CE2-CZ 3.53Å; Y149-Y187 AromaticContact CG-CE1 3.9Å; Y149-Y187 HydrophobicContact CG-CE1 3.9Å; Y149-Y187 AromaticContact CZ-CD1 3.45Å; Y149-Y187 VanDerWaalsContact CZ-CD1 3.45Å; Y149-Y187 AromaticContact CZ-CE1 3.31Å; Y149-Y187 AromaticContact CZ-CZ 4Å; Y149-Y187 WeakPolarHBondContact O-CE1 3.35Å; Y149-Y187 PolarHBondContact O-OH 3.31Å; Y149-Y187 PolarHBondContact OH-N 2.91Å; Y149-Y187 PolarHBondContact OH-O 3.49Å; L185-Y187 HydrophobicContact CD1-CD1 4.01Å; Y187-V189 HydrophobicContact CD2-CG1 4.06Å; Y187-V189 HydrophobicContact CE2-CG1 3.58Å; Y187-F194 HydrophobicContact CE2-CE2 4.31Å; Y187-F194 HydrophobicContact CE2-CZ 4.24Å; Y187-Q211 HydrophobicContact CD1-CG 4Å; Y187-Q211 HydrophobicContact CD2-CG 4.32Å; Y187-Q211 HydrophobicContact CG-CG 3.82Å
188	R	98.8	Very high	98.2	Very high	14 Å²	14	7.2 Å²	7.2	5%	0.053	5%	0.053	C	C	.	.			trans	-63.8	137.4	178.5	-73.8	173.7	-73.7	177	-5.5	111	E88 F194 G207 D210	E88-R188 PolarHBondContact O-NH1 2.69Å; E88-R188 PolarHBondContact O-NH2 3.25Å; R188-F194 WeakPolarHBondContact O-CE2 3.32Å; R188-G207 WeakPolarHBondContact O-CA 3.17Å; R188-D210 VanDerWaalsContact CB-OD2 3.23Å; R188-D210 WeakPolarHBondContact CB-OD2 3.46Å; R188-D210 VanDerWaalsContact CG-OD2 3.24Å; R188-D210 WeakPolarHBondContact CG-OD2 3.47Å; R188-D210 IonicContact CZ-OD1 3.06Å; R188-D210 IonicContact CZ-OD2 3.19Å; R188-D210 PolarHBondContact N-OD2 3.18Å; R188-D210 IonicContact NE-OD1 2.62Å; R188-D210 PolarHBondContact NE-OD1 3.08Å; R188-D210 IonicContact NE-OD2 3.74Å; R188-D210 PolarHBondContact NE-OD2 3.42Å; R188-D210 IonicContact NH2-OD1 3.97Å; R188-D210 PolarHBondContact NH2-OD1 3.39Å; R188-D210 IonicContact NH2-OD2 3.4Å
189	V	98.6	Very high	98	Very high	1 Å²	1	10 Å²	10	1%	0.006	7%	0.068	C	C	.	.			trans	-124.7	172.5	179.8	-67.7	0	0	0	0	110.2	Q111 Y149 F153 L154 Y187 G193	Q111-V189 HydrophobicContact CB-CG2 3.67Å; Y149-V189 HydrophobicContact CE2-CG1 4.22Å; F153-V189 CarbonylContact O-C 2.9Å; F153-V189 WeakPolarHBondContact O-CA 3.46Å; F153-V189 VanDerWaalsContact O-CB 3.31Å; F153-V189 WeakPolarHBondContact O-CB 3.25Å; L154-V189 VanDerWaalsContact O-CG2 3.31Å; L154-V189 WeakPolarHBondContact O-CG2 3.34Å; Y187-V189 HydrophobicContact CD2-CG1 4.06Å; Y187-V189 HydrophobicContact CE2-CG1 3.58Å; V189-G193 PolarHBondContact O-N 2.89Å; V189-G193 VanDerWaalsContact O-N 3.15Å
190	G	97.2	Very high	97.9	Very high	6 Å²	6	13 Å²	13	6%	0.062	9%	0.093	C	C	.	.	H	α-helix	trans	60.2	-149.1	178.3	0	0	0	0	0	112.6	F153 L192 G193 F194	F153-G190 PolarHBondContact O-N 3.24Å; G190-L192 PolarHBondContact O-N 2.87Å; G190-G193 PolarHBondContact O-N 3.24Å; G190-F194 PolarHBondContact O-N 2.97Å
191	S	97.1	Very high	97.8	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-53	-43.8	179.2	-52.6	0	0	0	0	111.7	F87 G193 L195 L308 G312	F87-S191 WeakPolarHBondContact CE1-O 3.24Å; S191-G193 VanDerWaalsContact C-N 3.26Å; S191-G193 PolarHBondContact O-N 3Å; S191-L195 WeakPolarHBondContact O-CB 3.36Å; S191-L195 PolarHBondContact O-N 2.9Å; S191-L195 VanDerWaalsContact O-N 3.07Å; S191-L308 WeakPolarHBondContact CB-O 3.48Å; S191-L308 PolarHBondContact OG-O 3.15Å; S191-G312 WeakPolarHBondContact OG-CA 3.48Å
192	L	97.8	Very high	97.7	Very high	10 Å²	10	15.9 Å²	15.9	5%	0.052	11%	0.11	C	C	.	.	H	α-helix	trans	-69.7	-23.1	-176.7	-60.4	-179.5	0	0	0	113.5	R86 F87 L110 E123 G190 P305 L308	R86-L192 HydrophobicContact CG-CD2 4.36Å; F87-L192 HydrophobicContact CE1-CD2 4.41Å; F87-L192 HydrophobicContact CZ-CD2 4.47Å; L110-L192 HydrophobicContact CB-CD1 3.99Å; L110-L192 HydrophobicContact CD2-CD1 4.04Å; E123-L192 HydrophobicContact CG-CD1 4.47Å; G190-L192 PolarHBondContact O-N 2.87Å; L192-P305 HydrophobicContact CD1-CB 4.48Å; L192-L308 HydrophobicContact CD2-CD1 4.25Å
193	G	98.2	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-91.4	-35.3	178.5	0	0	0	0	0	114.2	V189 G190 S191 Y206 G207	V189-G193 PolarHBondContact O-N 2.89Å; V189-G193 VanDerWaalsContact O-N 3.15Å; G190-G193 PolarHBondContact O-N 3.24Å; S191-G193 VanDerWaalsContact C-N 3.26Å; S191-G193 PolarHBondContact O-N 3Å; G193-Y206 WeakPolarHBondContact O-CA 3.2Å; G193-Y206 WeakPolarHBondContact O-CB 3.04Å; G193-Y206 WeakPolarHBondContact O-CD2 3.43Å; G193-Y206 PolarHBondContact O-N 3.31Å; G193-G207 PolarHBondContact O-N 3.1Å
194	F	98.4	Very high	97.6	Very high	4 Å²	4	18 Å²	18	2%	0.018	13%	0.125	C	C	.	.	H	α-helix	trans	-135.9	-4.2	-162.6	-62.1	-78.9	0	0	0	115.7	F153 Y187 R188 G190 S196 L208 P332	F153-F194 HydrophobicContact CB-CD2 3.85Å; F153-F194 HydrophobicContact CB-CE2 3.68Å; F153-F194 HydrophobicContact CB-CG 4.49Å; F153-F194 HydrophobicContact CB-CZ 4.19Å; F153-F194 AromaticContact CD1-CE1 3.97Å; F153-F194 HydrophobicContact CD1-CE1 3.97Å; F153-F194 AromaticContact CD1-CE2 3.83Å; F153-F194 HydrophobicContact CD1-CE2 3.83Å; F153-F194 AromaticContact CD1-CZ 3.46Å; F153-F194 HydrophobicContact CD1-CZ 3.46Å; F153-F194 VanDerWaalsContact CD1-CZ 3.46Å; F153-F194 HydrophobicContact CE1-CE1 4.45Å; F153-F194 HydrophobicContact CE1-CZ 4.21Å; F153-F194 HydrophobicContact CG-CE2 4.18Å; F153-F194 HydrophobicContact CG-CZ 4.18Å; Y187-F194 HydrophobicContact CE2-CE2 4.31Å; Y187-F194 HydrophobicContact CE2-CZ 4.24Å; R188-F194 WeakPolarHBondContact O-CE2 3.32Å; G190-F194 PolarHBondContact O-N 2.97Å; F194-S196 PolarHBondContact O-N 2.7Å; F194-L208 HydrophobicContact CE1-CD2 4.31Å; F194-L208 HydrophobicContact CE1-CG 4.1Å; F194-P332 HydrophobicContact CD1-CG 4.09Å; F194-P332 HydrophobicContact CE1-CG 3.84Å
195	L	97.9	Very high	97.5	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	13%	0.125	C	C	.	.			trans	-61.6	127.2	177.2	-165	70.5	0	0	0	110.8	F87 S191 M202 Y206 F280 A281 V284 L300 L330	F87-L195 HydrophobicContact CE1-CB 4.08Å; F87-L195 HydrophobicContact CE1-CD2 4.27Å; F87-L195 HydrophobicContact CZ-CD2 4.02Å; S191-L195 WeakPolarHBondContact O-CB 3.36Å; S191-L195 PolarHBondContact O-N 2.9Å; S191-L195 VanDerWaalsContact O-N 3.07Å; L195-M202 HydrophobicContact CD2-CE 4.36Å; L195-M202 HydrophobicContact CG-CE 4.41Å; L195-Y206 VanDerWaalsContact O-CE2 3.31Å; L195-Y206 WeakPolarHBondContact O-CE2 3.18Å; L195-F280 HydrophobicContact CD1-CD1 3.87Å; L195-F280 HydrophobicContact CD1-CE1 4.16Å; L195-A281 HydrophobicContact CD1-CB 4.16Å; L195-A281 HydrophobicContact CG-CB 4.3Å; L195-V284 HydrophobicContact CD1-CB 4.21Å; L195-V284 HydrophobicContact CD1-CG1 4.47Å; L195-V284 HydrophobicContact CD1-CG2 3.96Å; L195-V284 HydrophobicContact CD2-CB 4.46Å; L195-V284 HydrophobicContact CD2-CG1 3.99Å; L195-L300 HydrophobicContact CD2-CD1 4.1Å; L195-L330 HydrophobicContact CB-CD2 4.45Å; L195-L330 HydrophobicContact CD1-CD2 4.16Å
196	S	98.1	Very high	97.6	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	13%	0.126	C	C	.	.			trans	-135.2	138.6	-176.2	177.4	0	0	0	0	111	F194 G198 M202 P203 P277 A281	F194-S196 PolarHBondContact O-N 2.7Å; S196-G198 PolarHBondContact OG-N 3.36Å; S196-M202 CarbonylContact C-O 3.6Å; S196-M202 WeakPolarHBondContact CA-O 3.11Å; S196-M202 PolarHBondContact OG-O 3.49Å; S196-M202 VanDerWaalsContact OG-O 3.1Å; S196-P203 VanDerWaalsContact OG-C 3.24Å; S196-P203 PolarHBondContact OG-O 2.91Å; S196-P277 CarbonylContact O-C 3.51Å; S196-P277 VanDerWaalsContact O-C 3.31Å; S196-P277 VanDerWaalsContact O-O 3.08Å; S196-A281 VanDerWaalsContact O-CB 3.23Å; S196-A281 WeakPolarHBondContact O-CB 3.41Å
197	A	96.8	Very high	97.6	Very high	3 Å²	3	18.1 Å²	18.1	3%	0.025	12%	0.124	C	C	.	.			trans	-83.2	-4.1	168.9	0	0	0	0	0	112.1	D199 M202 R278 M296	A197-D199 PolarHBondContact O-N 2.69Å; A197-M202 HydrophobicContact CB-CB 3.98Å; A197-M202 HydrophobicContact CB-CE 4.1Å; A197-M202 PolarHBondContact N-O 3.39Å; A197-R278 VanDerWaalsContact O-CD 3.3Å; A197-R278 WeakPolarHBondContact O-CD 3.33Å; A197-M296 HydrophobicContact CB-CE 4.02Å
198	G	96.1	Very high	97.6	Very high	54 Å²	54	18.1 Å²	18.1	56%	0.557	12%	0.124	S	C	*	.	S	Bend	trans	69.8	17.1	-172.3	0	0	0	0	0	113.5	S196	S196-G198 PolarHBondContact OG-N 3.36Å
199	D	95.3	Very high	97.6	Very high	59 Å²	59	18.4 Å²	18.4	32%	0.316	13%	0.125	S	C	.	.	B	Isolated β-bridge	trans	-144.4	174	-178.7	69.2	47.3	0	0	0	111.9	A197 T201 M202 P203 R278	A197-D199 PolarHBondContact O-N 2.69Å; D199-T201 PolarHBondContact O-N 3.4Å; D199-T201 WeakPolarHBondContact OD1-CA 3.44Å; D199-T201 VanDerWaalsContact OD1-CB 3.25Å; D199-T201 WeakPolarHBondContact OD1-CB 3.48Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.18Å; D199-T201 PolarHBondContact OD1-N 3.48Å; D199-T201 PolarHBondContact OD1-OG1 3.35Å; D199-M202 CarbonylContact O-C 3.52Å; D199-M202 PolarHBondContact O-N 2.77Å; D199-P203 WeakPolarHBondContact O-CA 3.44Å; D199-P203 VanDerWaalsContact O-N 3.13Å; D199-R278 IonicContact OD2-NH1 3.41Å; D199-R278 PolarHBondContact OD2-NH1 2.92Å
200	S	95.4	Very high	97.6	Very high	113 Å²	113	18.3 Å²	18.3	79%	0.79	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.1	-176.8	65.2	0	0	0	0	115.5
201	T	95.6	Very high	97.7	Very high	59 Å²	59	18 Å²	18	36%	0.362	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-32.7	-179.8	72	0	0	0	0	111.9	D199 R301	D199-T201 PolarHBondContact O-N 3.4Å; D199-T201 WeakPolarHBondContact OD1-CA 3.44Å; D199-T201 VanDerWaalsContact OD1-CB 3.25Å; D199-T201 WeakPolarHBondContact OD1-CB 3.48Å; D199-T201 WeakPolarHBondContact OD1-CG2 3.18Å; D199-T201 PolarHBondContact OD1-N 3.48Å; D199-T201 PolarHBondContact OD1-OG1 3.35Å; T201-R301 PolarHBondContact O-NH2 2.72Å
202	M	96.8	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-147	82.8	170.4	-64.4	-165.4	-34.2	0	0	109	F87 L195 S196 A197 D199 G204 Y206 A297 L300	F87-M202 HydrophobicContact CB-CG 4.48Å; F87-M202 HydrophobicContact CB-SD 4.44Å; F87-M202 HydrophobicContact CD2-SD 3.73Å; F87-M202 HydrophobicContact CE2-SD 4.19Å; F87-M202 HydrophobicContact CG-SD 4.07Å; L195-M202 HydrophobicContact CD2-CE 4.36Å; L195-M202 HydrophobicContact CG-CE 4.41Å; S196-M202 CarbonylContact C-O 3.6Å; S196-M202 WeakPolarHBondContact CA-O 3.11Å; S196-M202 PolarHBondContact OG-O 3.49Å; S196-M202 VanDerWaalsContact OG-O 3.1Å; A197-M202 HydrophobicContact CB-CB 3.98Å; A197-M202 HydrophobicContact CB-CE 4.1Å; A197-M202 PolarHBondContact N-O 3.39Å; D199-M202 CarbonylContact O-C 3.52Å; D199-M202 PolarHBondContact O-N 2.77Å; M202-G204 PolarHBondContact O-N 3.48Å; M202-Y206 VanDerWaalsContact CA-OH 3.28Å; M202-Y206 WeakPolarHBondContact CA-OH 3.21Å; M202-Y206 WeakPolarHBondContact CB-OH 3.45Å; M202-A297 HydrophobicContact CG-CB 3.62Å; M202-A297 HydrophobicContact SD-CB 4.02Å; M202-L300 HydrophobicContact CE-CD1 3.61Å; M202-L300 HydrophobicContact SD-CB 4.34Å; M202-L300 HydrophobicContact SD-CD1 3.99Å
203	P	97.6	Very high	97.8	Very high	46 Å²	46	19.8 Å²	19.8	30%	0.299	13%	0.133	S	C	.	.			trans	-63.6	-27.9	-175.4	-24	34.5	0	0	0	113.7	S196 D199 V333 D335	S196-P203 VanDerWaalsContact OG-C 3.24Å; S196-P203 PolarHBondContact OG-O 2.91Å; D199-P203 WeakPolarHBondContact O-CA 3.44Å; D199-P203 VanDerWaalsContact O-N 3.13Å; P203-V333 WeakPolarHBondContact O-CG2 3.33Å; P203-D335 HydrophobicContact CB-CB 4.45Å
204	G	98	Very high	97.8	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.01	13%	0.133	C	C	.	.			trans	92.4	-158.3	-173.2	0	0	0	0	0	112.8	M202 Y206	M202-G204 PolarHBondContact O-N 3.48Å; G204-Y206 PolarHBondContact N-OH 3.17Å; G204-Y206 PolarHBondContact O-N 2.97Å
205	N	98.8	Very high	97.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	13%	0.132	C	C	.	.			trans	56.2	19.6	176.2	-64.6	-21.9	0	0	0	115.9	G207 L208 W209 P332 V333 D335	N205-G207 VanDerWaalsContact C-N 3.29Å; N205-G207 PolarHBondContact O-N 3.16Å; N205-L208 HydrophobicContact CB-CB 4.36Å; N205-L208 HydrophobicContact CB-CD1 4.3Å; N205-L208 HydrophobicContact CB-CG 4.49Å; N205-L208 WeakPolarHBondContact O-CB 3.37Å; N205-L208 PolarHBondContact O-N 2.95Å; N205-W209 PolarHBondContact O-N 3.48Å; N205-P332 VanDerWaalsContact OD1-CA 3.24Å; N205-P332 WeakPolarHBondContact OD1-CA 3.35Å; N205-V333 PolarHBondContact ND2-O 3.12Å; N205-V333 PolarHBondContact OD1-N 2.69Å; N205-D335 PolarHBondContact ND2-OD2 3.25Å
206	Y	98.8	Very high	97.9	Very high	4 Å²	4	20 Å²	20	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-38.7	-177	-45.2	-66.4	0	0	0	112.2	F87 G193 L195 M202 G204 L208 W209 D210	F87-Y206 HydrophobicContact CB-CE1 4.2Å; F87-Y206 HydrophobicContact CB-CE2 3.81Å; F87-Y206 HydrophobicContact CD1-CD2 4.11Å; F87-Y206 AromaticContact CD1-CE2 3.6Å; F87-Y206 HydrophobicContact CD1-CE2 3.6Å; F87-Y206 HydrophobicContact CG-CE2 4.13Å; F87-Y206 WeakPolarHBondContact O-CE1 3.42Å; G193-Y206 WeakPolarHBondContact O-CA 3.2Å; G193-Y206 WeakPolarHBondContact O-CB 3.04Å; G193-Y206 WeakPolarHBondContact O-CD2 3.43Å; G193-Y206 PolarHBondContact O-N 3.31Å; L195-Y206 VanDerWaalsContact O-CE2 3.31Å; L195-Y206 WeakPolarHBondContact O-CE2 3.18Å; M202-Y206 VanDerWaalsContact CA-OH 3.28Å; M202-Y206 WeakPolarHBondContact CA-OH 3.21Å; M202-Y206 WeakPolarHBondContact CB-OH 3.45Å; G204-Y206 PolarHBondContact N-OH 3.17Å; G204-Y206 PolarHBondContact O-N 2.97Å; Y206-L208 VanDerWaalsContact C-N 3.34Å; Y206-L208 PolarHBondContact O-N 2.75Å; Y206-W209 PolarHBondContact O-N 3.14Å; Y206-D210 PolarHBondContact O-N 3.45Å
207	G	98.8	Very high	98	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-36.7	173.3	0	0	0	0	0	113.2	R188 G193 N205 D210 Q211	R188-G207 WeakPolarHBondContact O-CA 3.17Å; G193-G207 PolarHBondContact O-N 3.1Å; N205-G207 VanDerWaalsContact C-N 3.29Å; N205-G207 PolarHBondContact O-N 3.16Å; G207-D210 WeakPolarHBondContact O-CB 3.13Å; G207-D210 PolarHBondContact O-N 3.31Å; G207-Q211 VanDerWaalsContact O-CG 3.32Å; G207-Q211 WeakPolarHBondContact O-CG 3.17Å; G207-Q211 PolarHBondContact O-N 3.24Å; G207-Q211 VanDerWaalsContact O-N 3.12Å
208	L	98.9	Very high	98.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-69	-37.8	174.3	-61.3	-173.1	0	0	0	111.7	F194 N205 Y206 D210 Q211 Q212 F246 Q247 P332 F338	F194-L208 HydrophobicContact CE1-CD2 4.31Å; F194-L208 HydrophobicContact CE1-CG 4.1Å; N205-L208 HydrophobicContact CB-CB 4.36Å; N205-L208 HydrophobicContact CB-CD1 4.3Å; N205-L208 HydrophobicContact CB-CG 4.49Å; N205-L208 WeakPolarHBondContact O-CB 3.37Å; N205-L208 PolarHBondContact O-N 2.95Å; Y206-L208 VanDerWaalsContact C-N 3.34Å; Y206-L208 PolarHBondContact O-N 2.75Å; L208-D210 VanDerWaalsContact C-N 3.32Å; L208-Q211 PolarHBondContact O-N 3.06Å; L208-Q212 WeakPolarHBondContact O-CB 3.41Å; L208-Q212 PolarHBondContact O-N 2.89Å; L208-F246 HydrophobicContact CD1-CB 4.21Å; L208-F246 HydrophobicContact CD1-CD2 4.24Å; L208-F246 HydrophobicContact CD1-CG 4.23Å; L208-F246 HydrophobicContact CD2-CD2 4.23Å; L208-Q247 PolarHBondContact O-NE2 2.68Å; L208-P332 HydrophobicContact CD1-CB 3.84Å; L208-P332 HydrophobicContact CD1-CG 3.86Å; L208-P332 HydrophobicContact CD2-CG 4.18Å; L208-P332 HydrophobicContact CG-CG 4.16Å; L208-F338 HydrophobicContact CB-CD1 4.03Å; L208-F338 HydrophobicContact CB-CE1 3.68Å; L208-F338 HydrophobicContact CB-CE2 4.24Å; L208-F338 HydrophobicContact CB-CG 4.48Å; L208-F338 HydrophobicContact CB-CZ 3.78Å; L208-F338 HydrophobicContact CD1-CD1 3.74Å; L208-F338 HydrophobicContact CD1-CE1 3.67Å; L208-F338 HydrophobicContact CG-CE1 4.25Å
209	W	98.9	Very high	98.2	Very high	20 Å²	20	22 Å²	22	8%	0.076	13%	0.126	C	C	.	.	H	α-helix	trans	-65.2	-35	173.1	-76	110.2	0	0	0	112.5	K89 P90 N205 Y206 Q212 A213 H252 F338	K89-W209 HydrophobicContact CD-CD2 4.06Å; K89-W209 HydrophobicContact CD-CG 4.35Å; K89-W209 HydrophobicContact CD-CZ2 4.3Å; K89-W209 HydrophobicContact CG-CD2 4.41Å; K89-W209 HydrophobicContact CG-CG 4.17Å; P90-W209 HydrophobicContact CG-CB 4.11Å; P90-W209 WeakPolarHBondContact CG-O 3.36Å; N205-W209 PolarHBondContact O-N 3.48Å; Y206-W209 PolarHBondContact O-N 3.14Å; W209-Q212 PolarHBondContact O-N 3.1Å; W209-A213 WeakPolarHBondContact O-CB 3.49Å; W209-A213 PolarHBondContact O-N 2.96Å; W209-H252 AromaticContact CH2-CD2 3.49Å; W209-H252 VanDerWaalsContact CH2-CD2 3.49Å; W209-H252 WeakPolarHBondContact CH2-CD2 3.5Å; W209-H252 AromaticContact CH2-CE1 3.65Å; W209-H252 AromaticContact CH2-CG 3.68Å; W209-H252 AromaticContact CH2-ND1 3.78Å; W209-H252 AromaticContact CH2-NE2 3.46Å; W209-H252 WeakPolarHBondContact CH2-NE2 3.36Å; W209-H252 HydrophobicContact CZ3-CB 4.39Å; W209-H252 AromaticContact CZ3-CG 3.99Å; W209-F338 AromaticContact CD2-CD2 3.64Å; W209-F338 HydrophobicContact CD2-CD2 3.64Å; W209-F338 HydrophobicContact CD2-CE2 4.25Å; W209-F338 AromaticContact CE2-CD2 3.52Å; W209-F338 AromaticContact CE3-CD2 3.85Å; W209-F338 HydrophobicContact CE3-CD2 3.85Å; W209-F338 HydrophobicContact CE3-CE2 4.19Å; W209-F338 HydrophobicContact CG-CD2 4.24Å; W209-F338 AromaticContact CH2-CD2 3.92Å; W209-F338 HydrophobicContact CH2-CD2 3.92Å; W209-F338 HydrophobicContact CZ2-CB 3.75Å; W209-F338 AromaticContact CZ2-CD2 3.68Å; W209-F338 HydrophobicContact CZ2-CD2 3.68Å; W209-F338 HydrophobicContact CZ2-CG 4.22Å; W209-F338 AromaticContact CZ3-CD2 3.99Å; W209-F338 HydrophobicContact CZ3-CD2 3.99Å; W209-F338 HydrophobicContact CZ3-CE2 4.45Å; W209-F338 AromaticContact NE1-CD2 4Å
210	D	98.9	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-64.1	-45.8	174.3	-63.2	-20.1	0	0	0	111.4	F80 P90 L126 R188 Y206 G207 L208 Q212 A213 A214	F80-D210 VanDerWaalsContact CE2-O 3.26Å; F80-D210 WeakPolarHBondContact CE2-O 3.47Å; P90-D210 WeakPolarHBondContact CB-OD1 3.12Å; P90-D210 WeakPolarHBondContact CG-OD1 3.37Å; L126-D210 HydrophobicContact CD2-CB 3.94Å; R188-D210 VanDerWaalsContact CB-OD2 3.23Å; R188-D210 WeakPolarHBondContact CB-OD2 3.46Å; R188-D210 VanDerWaalsContact CG-OD2 3.24Å; R188-D210 WeakPolarHBondContact CG-OD2 3.47Å; R188-D210 IonicContact CZ-OD1 3.06Å; R188-D210 IonicContact CZ-OD2 3.19Å; R188-D210 PolarHBondContact N-OD2 3.18Å; R188-D210 IonicContact NE-OD1 2.62Å; R188-D210 PolarHBondContact NE-OD1 3.08Å; R188-D210 IonicContact NE-OD2 3.74Å; R188-D210 PolarHBondContact NE-OD2 3.42Å; R188-D210 IonicContact NH2-OD1 3.97Å; R188-D210 PolarHBondContact NH2-OD1 3.39Å; R188-D210 IonicContact NH2-OD2 3.4Å; Y206-D210 PolarHBondContact O-N 3.45Å; G207-D210 WeakPolarHBondContact O-CB 3.13Å; G207-D210 PolarHBondContact O-N 3.31Å; L208-D210 VanDerWaalsContact C-N 3.32Å; D210-Q212 VanDerWaalsContact C-N 3.34Å; D210-Q212 PolarHBondContact O-N 3.47Å; D210-A213 PolarHBondContact O-N 3.18Å; D210-A214 PolarHBondContact O-N 3.12Å
211	Q	98.9	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.7	-44.2	174.2	-66.7	165.4	5.9	0	0	111.5	I148 L185 Y187 G207 L208 A213 A214 I215 S243	I148-Q211 HydrophobicContact CG2-CG 4.09Å; L185-Q211 HydrophobicContact CD1-CB 4.48Å; L185-Q211 HydrophobicContact CD1-CG 4.05Å; Y187-Q211 HydrophobicContact CD1-CG 4Å; Y187-Q211 HydrophobicContact CD2-CG 4.32Å; Y187-Q211 HydrophobicContact CG-CG 3.82Å; G207-Q211 VanDerWaalsContact O-CG 3.32Å; G207-Q211 WeakPolarHBondContact O-CG 3.17Å; G207-Q211 PolarHBondContact O-N 3.24Å; G207-Q211 VanDerWaalsContact O-N 3.12Å; L208-Q211 PolarHBondContact O-N 3.06Å; Q211-A213 PolarHBondContact O-N 3.45Å; Q211-A214 PolarHBondContact O-N 3.21Å; Q211-I215 WeakPolarHBondContact O-CG1 3.19Å; Q211-I215 PolarHBondContact O-N 3.42Å; Q211-S243 PolarHBondContact NE2-OG 3.11Å; Q211-S243 VanDerWaalsContact OE1-CB 3.3Å; Q211-S243 PolarHBondContact OE1-OG 3.15Å
212	Q	98.9	Very high	98.7	Very high	30 Å²	30	15.4 Å²	15.4	14%	0.14	7%	0.073	C	C	.	.	H	α-helix	trans	-61.2	-43.6	176.5	-168.4	-75.8	-29.2	0	0	111.4	L208 W209 D210 A214 I215 A216 H252 N253 F338	L208-Q212 WeakPolarHBondContact O-CB 3.41Å; L208-Q212 PolarHBondContact O-N 2.89Å; W209-Q212 PolarHBondContact O-N 3.1Å; D210-Q212 VanDerWaalsContact C-N 3.34Å; D210-Q212 PolarHBondContact O-N 3.47Å; Q212-A214 VanDerWaalsContact C-N 3.32Å; Q212-A214 PolarHBondContact O-N 3.48Å; Q212-I215 PolarHBondContact O-N 2.93Å; Q212-A216 WeakPolarHBondContact O-CB 3.44Å; Q212-A216 PolarHBondContact O-N 2.87Å; Q212-H252 HydrophobicContact CG-CB 4.43Å; Q212-H252 PolarHBondContact NE2-O 3.42Å; Q212-N253 WeakPolarHBondContact CG-OD1 2.99Å; Q212-F338 HydrophobicContact CB-CE2 3.85Å; Q212-F338 HydrophobicContact CB-CZ 4.42Å; Q212-F338 HydrophobicContact CG-CE2 4.05Å
213	A	98.9	Very high	98.8	Very high	18 Å²	18	23.2 Å²	23.2	15%	0.149	10%	0.102	C	C	.	.	H	α-helix	trans	-62.3	-39.1	177.4	0	0	0	0	0	112	F80 P90 W209 D210 Q211 W217	F80-A213 HydrophobicContact CD2-CB 4.2Å; F80-A213 HydrophobicContact CE2-CB 4.17Å; P90-A213 HydrophobicContact CB-CB 4.27Å; P90-A213 HydrophobicContact CG-CB 3.83Å; W209-A213 WeakPolarHBondContact O-CB 3.49Å; W209-A213 PolarHBondContact O-N 2.96Å; D210-A213 PolarHBondContact O-N 3.18Å; Q211-A213 PolarHBondContact O-N 3.45Å; A213-W217 WeakPolarHBondContact O-CB 3.23Å; A213-W217 PolarHBondContact O-N 2.75Å
214	A	98.9	Very high	98.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-66.4	-45.9	174.2	0	0	0	0	0	112.3	F80 L185 D210 Q211 Q212 A216 W217 V218	F80-A214 HydrophobicContact CD1-CB 4.01Å; F80-A214 HydrophobicContact CD2-CB 3.81Å; F80-A214 HydrophobicContact CE1-CB 3.96Å; F80-A214 HydrophobicContact CE2-CB 3.78Å; F80-A214 HydrophobicContact CG-CB 3.93Å; F80-A214 HydrophobicContact CZ-CB 3.85Å; L185-A214 HydrophobicContact CB-CB 3.96Å; L185-A214 HydrophobicContact CD1-CB 4.4Å; L185-A214 HydrophobicContact CD2-CB 3.76Å; L185-A214 HydrophobicContact CG-CB 4.26Å; D210-A214 PolarHBondContact O-N 3.12Å; Q211-A214 PolarHBondContact O-N 3.21Å; Q212-A214 VanDerWaalsContact C-N 3.32Å; Q212-A214 PolarHBondContact O-N 3.48Å; A214-A216 VanDerWaalsContact C-N 3.31Å; A214-A216 PolarHBondContact O-N 3.14Å; A214-W217 WeakPolarHBondContact O-CB 3.41Å; A214-W217 PolarHBondContact O-N 3.06Å; A214-W217 VanDerWaalsContact O-N 3.15Å; A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 3.09Å
215	I	98.9	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.3	-45.9	175	-67.9	161.4	0	0	0	110.3	V146 Q211 Q212 W217 V218 Y219 V234 Q247 I257	V146-I215 HydrophobicContact CG1-CG1 4.45Å; Q211-I215 WeakPolarHBondContact O-CG1 3.19Å; Q211-I215 PolarHBondContact O-N 3.42Å; Q212-I215 PolarHBondContact O-N 2.93Å; I215-W217 VanDerWaalsContact C-N 3.32Å; I215-W217 PolarHBondContact O-N 3.14Å; I215-V218 PolarHBondContact O-N 3.02Å; I215-Y219 PolarHBondContact O-N 3.41Å; I215-V234 HydrophobicContact CD1-CG1 3.92Å; I215-V234 HydrophobicContact CG1-CG1 4.1Å; I215-Q247 HydrophobicContact CD1-CB 4.1Å; I215-Q247 HydrophobicContact CD1-CG 3.81Å; I215-I257 HydrophobicContact CD1-CD1 4.36Å; I215-I257 HydrophobicContact CG2-CG1 4.14Å
216	A	98.9	Very high	98.8	Very high	8 Å²	8	24.3 Å²	24.3	7%	0.066	11%	0.113	C	C	.	.	H	α-helix	trans	-64.7	-36.2	177.9	0	0	0	0	0	111.9	Q212 A214 R220 M256	Q212-A216 WeakPolarHBondContact O-CB 3.44Å; Q212-A216 PolarHBondContact O-N 2.87Å; A214-A216 VanDerWaalsContact C-N 3.31Å; A214-A216 PolarHBondContact O-N 3.14Å; A216-R220 VanDerWaalsContact CB-NH1 3.29Å; A216-R220 WeakPolarHBondContact O-CG 3.26Å; A216-R220 PolarHBondContact O-N 3.49Å; A216-R220 PolarHBondContact O-NH1 2.89Å; A216-M256 HydrophobicContact CB-CE 4.31Å; A216-M256 HydrophobicContact CB-SD 4.02Å
217	W	98.9	Very high	98.8	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-63.7	-45.8	172.9	-175.8	100.2	0	0	0	111.1	T54 I78 F80 L128 I130 A213 A214 I215 Y219 R220 N221 F225	T54-W217 HydrophobicContact CG2-CH2 4.27Å; T54-W217 HydrophobicContact CG2-CZ2 3.87Å; I78-W217 HydrophobicContact CD1-CH2 4.27Å; I78-W217 HydrophobicContact CG2-CH2 3.98Å; I78-W217 HydrophobicContact CG2-CZ2 3.58Å; F80-W217 HydrophobicContact CB-CB 3.87Å; F80-W217 HydrophobicContact CB-CD2 4.3Å; F80-W217 HydrophobicContact CB-CG 3.74Å; L128-W217 HydrophobicContact CD1-CE3 4.21Å; L128-W217 HydrophobicContact CD1-CH2 4.14Å; L128-W217 HydrophobicContact CD1-CZ3 3.77Å; L128-W217 HydrophobicContact CD2-CD2 3.95Å; L128-W217 HydrophobicContact CD2-CE3 3.44Å; L128-W217 VanDerWaalsContact CD2-CE3 3.44Å; L128-W217 HydrophobicContact CD2-CG 4.5Å; L128-W217 HydrophobicContact CD2-CZ3 3.88Å; L128-W217 HydrophobicContact CG-CE3 4.4Å; L128-W217 HydrophobicContact CG-CZ3 4.44Å; I130-W217 HydrophobicContact CD1-CH2 4.07Å; I130-W217 HydrophobicContact CD1-CZ3 3.94Å; A213-W217 WeakPolarHBondContact O-CB 3.23Å; A213-W217 PolarHBondContact O-N 2.75Å; A214-W217 WeakPolarHBondContact O-CB 3.41Å; A214-W217 PolarHBondContact O-N 3.06Å; A214-W217 VanDerWaalsContact O-N 3.15Å; I215-W217 VanDerWaalsContact C-N 3.32Å; I215-W217 PolarHBondContact O-N 3.14Å; W217-Y219 VanDerWaalsContact C-N 3.34Å; W217-Y219 PolarHBondContact O-N 3.15Å; W217-R220 PolarHBondContact O-N 2.75Å; W217-R220 VanDerWaalsContact O-N 3.17Å; W217-N221 HydrophobicContact CD2-CB 4.13Å; W217-N221 HydrophobicContact CE3-CB 4.07Å; W217-N221 HydrophobicContact CH2-CB 3.84Å; W217-N221 HydrophobicContact CZ2-CB 3.88Å; W217-N221 HydrophobicContact CZ3-CB 3.93Å; W217-N221 PolarHBondContact NE1-ND2 3.15Å; W217-N221 WeakPolarHBondContact O-CB 3.46Å; W217-N221 PolarHBondContact O-N 3.2Å; W217-N221 PolarHBondContact O-ND2 3.01Å; W217-F225 AromaticContact CH2-CE2 3.82Å; W217-F225 HydrophobicContact CH2-CE2 3.82Å; W217-F225 HydrophobicContact CH2-CZ 4.1Å; W217-F225 HydrophobicContact CZ3-CE2 4.48Å
218	V	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-49	176.7	171.9	0	0	0	0	109.8	L128 V144 V146 V183 A214 I215 R220 N221 I222 I232	L128-V218 HydrophobicContact CD2-CG2 4.3Å; V144-V218 HydrophobicContact CG1-CG1 3.8Å; V146-V218 HydrophobicContact CG2-CG1 4.02Å; V146-V218 HydrophobicContact CG2-CG2 4.32Å; V183-V218 HydrophobicContact CG1-CG2 3.94Å; V183-V218 HydrophobicContact CG2-CG2 4.32Å; A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 3.09Å; I215-V218 PolarHBondContact O-N 3.02Å; V218-R220 PolarHBondContact O-N 3.34Å; V218-N221 PolarHBondContact O-N 2.82Å; V218-I222 HydrophobicContact CG1-CB 3.93Å; V218-I222 HydrophobicContact CG1-CD1 4.36Å; V218-I222 HydrophobicContact CG1-CG1 4.15Å; V218-I222 HydrophobicContact CG1-CG2 4.24Å; V218-I222 WeakPolarHBondContact O-CB 3.28Å; V218-I222 VanDerWaalsContact O-CG2 3.27Å; V218-I222 WeakPolarHBondContact O-CG2 3.23Å; V218-I222 PolarHBondContact O-N 3.45Å; V218-I232 HydrophobicContact CG1-CD1 4.06Å
219	Y	98.8	Very high	98.8	Very high	99 Å²	99	25.7 Å²	25.7	39%	0.388	12%	0.122	S	C	.	.	H	α-helix	trans	-53.7	-39.9	177.2	-177.9	-96.5	0	0	0	113.2	I215 W217 P229 I232 M256	I215-Y219 PolarHBondContact O-N 3.41Å; W217-Y219 VanDerWaalsContact C-N 3.34Å; W217-Y219 PolarHBondContact O-N 3.15Å; Y219-P229 HydrophobicContact CD2-CB 4.31Å; Y219-P229 VanDerWaalsContact CD2-O 3.31Å; Y219-P229 WeakPolarHBondContact CD2-O 3.49Å; Y219-P229 WeakPolarHBondContact CE2-O 3.38Å; Y219-P229 VanDerWaalsContact O-CB 3.27Å; Y219-P229 WeakPolarHBondContact O-CB 3.11Å; Y219-I232 HydrophobicContact CD2-CD1 4.07Å; Y219-M256 HydrophobicContact CD1-CG 4.13Å; Y219-M256 HydrophobicContact CD1-SD 4.22Å; Y219-M256 HydrophobicContact CD2-CB 4.07Å; Y219-M256 HydrophobicContact CD2-CG 3.92Å; Y219-M256 HydrophobicContact CE1-CG 4.45Å; Y219-M256 HydrophobicContact CE2-CG 4.25Å; Y219-M256 HydrophobicContact CG-CB 4.33Å; Y219-M256 HydrophobicContact CG-CG 3.86Å; Y219-M256 HydrophobicContact CG-SD 4.14Å
220	R	98.8	Very high	98.8	Very high	86 Å²	86	28.6 Å²	28.6	33%	0.325	15%	0.145	S	C	.	.	H	α-helix	trans	-79.5	-30	-179.6	-67.4	-172.5	-54	-83.7	-0.2	114.1	E55 A216 W217 V218	E55-R220 IonicContact OE1-CZ 3.88Å; E55-R220 IonicContact OE1-NE 3.33Å; E55-R220 IonicContact OE1-NH2 3.58Å; E55-R220 PolarHBondContact OE1-NH2 2.75Å; E55-R220 IonicContact OE2-CZ 3.59Å; E55-R220 IonicContact OE2-NE 2.61Å; E55-R220 PolarHBondContact OE2-NE 2.95Å; E55-R220 IonicContact OE2-NH2 2.7Å; E55-R220 PolarHBondContact OE2-NH2 2.61Å; A216-R220 VanDerWaalsContact CB-NH1 3.29Å; A216-R220 WeakPolarHBondContact O-CG 3.26Å; A216-R220 PolarHBondContact O-N 3.49Å; A216-R220 PolarHBondContact O-NH1 2.89Å; W217-R220 PolarHBondContact O-N 2.75Å; W217-R220 VanDerWaalsContact O-N 3.17Å; V218-R220 PolarHBondContact O-N 3.34Å
221	N	98.9	Very high	98.8	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.032	15%	0.151	C	C	.	.	H	α-helix	trans	-114.3	-22.6	-165.6	-66.4	-82.9	0	0	0	114.7	T54 E55 W217 V218 R223 S224 F225	T54-N221 WeakPolarHBondContact CA-OD1 3.27Å; E55-N221 PolarHBondContact N-OD1 2.9Å; W217-N221 HydrophobicContact CD2-CB 4.13Å; W217-N221 HydrophobicContact CE3-CB 4.07Å; W217-N221 HydrophobicContact CH2-CB 3.84Å; W217-N221 HydrophobicContact CZ2-CB 3.88Å; W217-N221 HydrophobicContact CZ3-CB 3.93Å; W217-N221 PolarHBondContact NE1-ND2 3.15Å; W217-N221 WeakPolarHBondContact O-CB 3.46Å; W217-N221 PolarHBondContact O-N 3.2Å; W217-N221 PolarHBondContact O-ND2 3.01Å; V218-N221 PolarHBondContact O-N 2.82Å; N221-R223 PolarHBondContact O-N 3.05Å; N221-S224 WeakPolarHBondContact O-CB 3.48Å; N221-S224 PolarHBondContact O-N 3.41Å; N221-F225 WeakPolarHBondContact O-CD2 3.45Å
222	I	98.8	Very high	98.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-66	-20.9	-166.7	-155	64.3	0	0	0	113.7	I130 V144 I181 V183 V218 S224 F225 G226 G227 P229	I130-I222 HydrophobicContact CD1-CD1 4.25Å; I130-I222 HydrophobicContact CG2-CD1 4.34Å; V144-I222 HydrophobicContact CB-CG1 4.46Å; V144-I222 HydrophobicContact CG1-CD1 4.39Å; V144-I222 HydrophobicContact CG1-CG1 3.91Å; V144-I222 HydrophobicContact CG2-CB 4.43Å; V144-I222 HydrophobicContact CG2-CG1 3.66Å; V144-I222 HydrophobicContact CG2-CG2 3.97Å; I181-I222 HydrophobicContact CD1-CG1 4.39Å; I181-I222 HydrophobicContact CG2-CD1 4.04Å; I181-I222 HydrophobicContact CG2-CG1 4.48Å; V183-I222 HydrophobicContact CG2-CD1 4.21Å; V218-I222 HydrophobicContact CG1-CB 3.93Å; V218-I222 HydrophobicContact CG1-CD1 4.36Å; V218-I222 HydrophobicContact CG1-CG1 4.15Å; V218-I222 HydrophobicContact CG1-CG2 4.24Å; V218-I222 WeakPolarHBondContact O-CB 3.28Å; V218-I222 VanDerWaalsContact O-CG2 3.27Å; V218-I222 WeakPolarHBondContact O-CG2 3.23Å; V218-I222 PolarHBondContact O-N 3.45Å; I222-S224 PolarHBondContact O-N 3.12Å; I222-F225 HydrophobicContact CD1-CB 4.16Å; I222-F225 HydrophobicContact CD1-CD2 4.31Å; I222-F225 HydrophobicContact CD1-CG 4.41Å; I222-F225 CarbonylContact O-C 3.56Å; I222-F225 WeakPolarHBondContact O-CA 3.28Å; I222-F225 WeakPolarHBondContact O-CB 3.34Å; I222-F225 PolarHBondContact O-N 3.5Å; I222-G226 PolarHBondContact O-N 3.09Å; I222-G227 PolarHBondContact O-N 3.1Å; I222-P229 HydrophobicContact CG2-CB 4.15Å
223	R	98.7	Very high	98.8	Very high	163 Å²	163	28.2 Å²	28.2	62%	0.615	14%	0.144	S	C	*	.	G	3₁₀ helix	trans	-57.5	-37.6	172	-171.6	179	-68	-93.6	-2.3	112.3	N221 F225 G226 G227	N221-R223 PolarHBondContact O-N 3.05Å; R223-F225 PolarHBondContact O-N 3.41Å; R223-G226 PolarHBondContact O-N 2.86Å; R223-G226 VanDerWaalsContact O-N 3.09Å; R223-G227 WeakPolarHBondContact CA-O 3.48Å
224	S	98.4	Very high	98.8	Very high	60 Å²	60	27.4 Å²	27.4	42%	0.42	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-65.8	-20.2	176.5	-58.2	0	0	0	0	113	V52 N53 N221 I222	V52-S224 WeakPolarHBondContact CG1-O 3.14Å; N53-S224 VanDerWaalsContact O-CB 3.25Å; N53-S224 WeakPolarHBondContact O-CB 3.4Å; N53-S224 PolarHBondContact O-OG 2.98Å; N221-S224 WeakPolarHBondContact O-CB 3.48Å; N221-S224 PolarHBondContact O-N 3.41Å; I222-S224 PolarHBondContact O-N 3.12Å
225	F	98.6	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-96.8	6.8	177.2	-62.2	-95.9	0	0	0	112.5	L49 V52 T54 V59 F75 I78 I130 V132 I181 W217 N221 I222 R223	L49-F225 HydrophobicContact CD1-CB 4.43Å; V52-F225 HydrophobicContact CB-CD1 4.4Å; V52-F225 HydrophobicContact CB-CE1 4Å; V52-F225 HydrophobicContact CB-CZ 4.19Å; V52-F225 HydrophobicContact CG1-CD1 3.94Å; V52-F225 HydrophobicContact CG1-CD2 3.93Å; V52-F225 HydrophobicContact CG1-CE1 3.73Å; V52-F225 HydrophobicContact CG1-CE2 3.73Å; V52-F225 HydrophobicContact CG1-CG 4.04Å; V52-F225 HydrophobicContact CG1-CZ 3.63Å; V52-F225 HydrophobicContact CG2-CD1 4.22Å; V52-F225 HydrophobicContact CG2-CE1 4.18Å; T54-F225 HydrophobicContact CG2-CE2 3.95Å; T54-F225 HydrophobicContact CG2-CZ 3.88Å; V59-F225 HydrophobicContact CG2-CE1 4.1Å; V59-F225 HydrophobicContact CG2-CZ 3.87Å; F75-F225 AromaticContact CD1-CE1 3.96Å; F75-F225 HydrophobicContact CD1-CE1 3.96Å; F75-F225 AromaticContact CD2-CD1 4Å; F75-F225 HydrophobicContact CD2-CD1 4Å; F75-F225 AromaticContact CD2-CE1 3.88Å; F75-F225 HydrophobicContact CD2-CE1 3.88Å; F75-F225 AromaticContact CE1-CE1 3.93Å; F75-F225 HydrophobicContact CE1-CE1 3.93Å; F75-F225 AromaticContact CE2-CD1 3.72Å; F75-F225 HydrophobicContact CE2-CD1 3.72Å; F75-F225 AromaticContact CE2-CE1 3.85Å; F75-F225 HydrophobicContact CE2-CE1 3.85Å; F75-F225 AromaticContact CG-CE1 3.96Å; F75-F225 HydrophobicContact CG-CE1 3.96Å; F75-F225 HydrophobicContact CZ-CD1 4.02Å; F75-F225 AromaticContact CZ-CE1 3.9Å; F75-F225 HydrophobicContact CZ-CE1 3.9Å; I78-F225 HydrophobicContact CD1-CE1 4.25Å; I78-F225 HydrophobicContact CD1-CZ 4.03Å; I130-F225 HydrophobicContact CD1-CD1 4.03Å; I130-F225 HydrophobicContact CD1-CD2 4.27Å; I130-F225 HydrophobicContact CD1-CE1 3.82Å; I130-F225 HydrophobicContact CD1-CE2 4.08Å; I130-F225 HydrophobicContact CD1-CG 4.25Å; I130-F225 HydrophobicContact CD1-CZ 3.85Å; I130-F225 HydrophobicContact CG2-CD1 4.47Å; V132-F225 VanDerWaalsContact CG1-O 3.29Å; V132-F225 WeakPolarHBondContact CG1-O 3.26Å; V132-F225 HydrophobicContact CG2-CB 4.16Å; I181-F225 WeakPolarHBondContact CD1-O 3.4Å; W217-F225 AromaticContact CH2-CE2 3.82Å; W217-F225 HydrophobicContact CH2-CE2 3.82Å; W217-F225 HydrophobicContact CH2-CZ 4.1Å; W217-F225 HydrophobicContact CZ3-CE2 4.48Å; N221-F225 WeakPolarHBondContact O-CD2 3.45Å; I222-F225 HydrophobicContact CD1-CB 4.16Å; I222-F225 HydrophobicContact CD1-CD2 4.31Å; I222-F225 HydrophobicContact CD1-CG 4.41Å; I222-F225 CarbonylContact O-C 3.56Å; I222-F225 WeakPolarHBondContact O-CA 3.28Å; I222-F225 WeakPolarHBondContact O-CB 3.34Å; I222-F225 PolarHBondContact O-N 3.5Å; R223-F225 PolarHBondContact O-N 3.41Å
226	G	98.4	Very high	98.8	Very high	11 Å²	11	27.3 Å²	27.3	11%	0.113	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	11.5	-177.1	0	0	0	0	0	114.6	S140 N141 L142 I222 R223	S140-G226 CarbonylContact C-O 3.55Å; S140-G226 VanDerWaalsContact C-O 3.31Å; N141-G226 PolarHBondContact N-O 2.83Å; L142-G226 PolarHBondContact N-O 2.93Å; I222-G226 PolarHBondContact O-N 3.09Å; R223-G226 PolarHBondContact O-N 2.86Å; R223-G226 VanDerWaalsContact O-N 3.09Å
227	G	98.8	Very high	98.8	Very high	2 Å²	2	27.2 Å²	27.2	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	157	176	0	0	0	0	0	113.8	L142 I181 I222 R223 P229	L142-G227 CarbonylContact O-C 3.55Å; L142-G227 WeakPolarHBondContact O-CA 3.17Å; I181-G227 VanDerWaalsContact CD1-CA 3.44Å; I181-G227 VanDerWaalsContact CD1-N 3.34Å; I222-G227 PolarHBondContact O-N 3.1Å; R223-G227 WeakPolarHBondContact CA-O 3.48Å; G227-P229 WeakPolarHBondContact O-CD 3.33Å
228	D	98.8	Very high	98.8	Very high	18 Å²	18	27.4 Å²	27.4	10%	0.096	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	109.4	172	-174.3	-13.7	0	0	0	110.2	N141 L142 S230 N231	N141-D228 PolarHBondContact ND2-OD2 2.94Å; N141-D228 WeakPolarHBondContact OD1-CB 3.3Å; N141-D228 VanDerWaalsContact OD1-CG 3.29Å; N141-D228 PolarHBondContact OD1-OD2 2.93Å; L142-D228 PolarHBondContact O-N 3.29Å; D228-S230 VanDerWaalsContact CG-OG 3.32Å; D228-S230 PolarHBondContact O-N 2.92Å; D228-S230 WeakPolarHBondContact OD1-CB 3.42Å; D228-S230 PolarHBondContact OD1-N 2.89Å; D228-S230 PolarHBondContact OD1-OG 2.91Å; D228-S230 PolarHBondContact OD2-OG 2.9Å; D228-N231 HydrophobicContact CB-CB 3.79Å; D228-N231 PolarHBondContact O-N 2.95Å
229	P	98.6	Very high	98.8	Very high	14 Å²	14	27.4 Å²	27.4	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	-15.7	-179.7	28.7	-35.7	0	0	0	113.5	Y219 I222 G227 N231 I232	Y219-P229 HydrophobicContact CD2-CB 4.31Å; Y219-P229 VanDerWaalsContact CD2-O 3.31Å; Y219-P229 WeakPolarHBondContact CD2-O 3.49Å; Y219-P229 WeakPolarHBondContact CE2-O 3.38Å; Y219-P229 VanDerWaalsContact O-CB 3.27Å; Y219-P229 WeakPolarHBondContact O-CB 3.11Å; I222-P229 HydrophobicContact CG2-CB 4.15Å; G227-P229 WeakPolarHBondContact O-CD 3.33Å; P229-N231 VanDerWaalsContact C-N 3.29Å; P229-I232 WeakPolarHBondContact O-CD1 3.44Å
230	S	98.5	Very high	98.8	Very high	81 Å²	81	22.7 Å²	22.7	57%	0.566	12%	0.118	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	-3.7	174	72.8	0	0	0	0	113.2	D228	D228-S230 VanDerWaalsContact CG-OG 3.32Å; D228-S230 PolarHBondContact O-N 2.92Å; D228-S230 WeakPolarHBondContact OD1-CB 3.42Å; D228-S230 PolarHBondContact OD1-N 2.89Å; D228-S230 PolarHBondContact OD1-OG 2.91Å; D228-S230 PolarHBondContact OD2-OG 2.9Å
231	N	98.7	Very high	98.8	Very high	22 Å²	22	18.6 Å²	18.6	12%	0.118	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	47.9	-172.2	-155.6	16.5	0	0	0	111.8	V144 D228 P229 R259 A519	V144-N231 PolarHBondContact N-O 2.81Å; V144-N231 VanDerWaalsContact N-O 3.08Å; D228-N231 HydrophobicContact CB-CB 3.79Å; D228-N231 PolarHBondContact O-N 2.95Å; P229-N231 VanDerWaalsContact C-N 3.29Å; N231-R259 PolarHBondContact OD1-NH1 3.09Å; N231-R259 PolarHBondContact OD1-NH2 2.89Å; N231-A519 PolarHBondContact OD1-O 3.2Å
232	I	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	125.2	180	-62.6	173.8	0	0	0	110.3	V144 V146 V218 Y219 P229 V234 K258 R259	V144-I232 HydrophobicContact CB-CG1 4.27Å; V144-I232 CarbonylContact O-C 3.51Å; V144-I232 WeakPolarHBondContact O-CA 3.45Å; V146-I232 HydrophobicContact CG2-CG2 3.95Å; V218-I232 HydrophobicContact CG1-CD1 4.06Å; Y219-I232 HydrophobicContact CD2-CD1 4.07Å; P229-I232 WeakPolarHBondContact O-CD1 3.44Å; I232-V234 HydrophobicContact CG2-CG1 4.5Å; I232-K258 WeakPolarHBondContact O-CA 3.28Å; I232-K258 WeakPolarHBondContact O-CB 3.38Å; I232-K258 PolarHBondContact O-N 3.21Å; I232-R259 PolarHBondContact O-N 3.07Å; I232-R259 VanDerWaalsContact O-N 3.09Å
233	T	99	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.4	170.7	-57.4	0	0	0	0	108.8	V144 M145 V146 R259 I261 F518 A519	V144-T233 PolarHBondContact O-N 2.6Å; M145-T233 CarbonylContact C-O 3.49Å; M145-T233 VanDerWaalsContact CA-O 3.29Å; M145-T233 WeakPolarHBondContact CA-O 3.46Å; V146-T233 PolarHBondContact N-O 3.49Å; T233-R259 CarbonylContact C-O 3.55Å; T233-R259 VanDerWaalsContact CA-O 3.26Å; T233-R259 WeakPolarHBondContact CA-O 3.34Å; T233-R259 HydrophobicContact CG2-CB 4Å; T233-I261 HydrophobicContact CG2-CD1 4.07Å; T233-I261 HydrophobicContact CG2-CG1 4.15Å; T233-F518 HydrophobicContact CG2-CD1 4.45Å; T233-F518 HydrophobicContact CG2-CE1 4.44Å; T233-A519 HydrophobicContact CG2-CB 4.37Å; T233-A519 WeakPolarHBondContact OG1-CA 3.49Å
234	V	99	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.1	169.6	-65.7	0	0	0	0	109.4	V146 I215 I232 V244 I248 I257 R259 A260 I261	V146-V234 HydrophobicContact CB-CG1 4.28Å; V146-V234 WeakPolarHBondContact O-CA 3.46Å; I215-V234 HydrophobicContact CD1-CG1 3.92Å; I215-V234 HydrophobicContact CG1-CG1 4.1Å; I232-V234 HydrophobicContact CG2-CG1 4.5Å; V234-V244 HydrophobicContact CB-CG2 4.28Å; V234-V244 HydrophobicContact CG2-CG1 3.9Å; V234-V244 HydrophobicContact CG2-CG2 4.3Å; V234-I248 HydrophobicContact CG2-CG2 4.32Å; V234-I257 HydrophobicContact CG1-CD1 4.09Å; V234-I257 HydrophobicContact CG1-CG1 4.13Å; V234-I257 HydrophobicContact CG1-CG2 4.44Å; V234-I257 HydrophobicContact CG2-CD1 4.1Å; V234-I257 HydrophobicContact CG2-CG2 3.78Å; V234-R259 PolarHBondContact N-O 3.04Å; V234-A260 HydrophobicContact CG2-CB 3.9Å; V234-A260 CarbonylContact O-C 3.49Å; V234-A260 VanDerWaalsContact O-CA 3.23Å; V234-A260 WeakPolarHBondContact O-CA 3.5Å; V234-I261 PolarHBondContact O-N 2.73Å
235	F	98.9	Very high	98.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	150.6	177.9	75.1	-59.7	0	0	0	111.4	M145 V146 W147 I148 L174 V244 I261 V489 F490	M145-F235 HydrophobicContact CB-CD1 4.12Å; M145-F235 HydrophobicContact CB-CE1 3.78Å; M145-F235 HydrophobicContact CE-CD1 4.17Å; M145-F235 HydrophobicContact CE-CD2 4.35Å; M145-F235 HydrophobicContact CE-CE1 4.3Å; M145-F235 HydrophobicContact CE-CE2 4.46Å; M145-F235 HydrophobicContact CE-CG 4.22Å; M145-F235 HydrophobicContact CE-CZ 4.45Å; V146-F235 WeakPolarHBondContact O-CD1 3.25Å; V146-F235 PolarHBondContact O-N 3.2Å; W147-F235 CarbonylContact C-O 3.55Å; W147-F235 VanDerWaalsContact CA-O 3.3Å; W147-F235 WeakPolarHBondContact CA-O 3.49Å; W147-F235 HydrophobicContact CB-CD1 4.35Å; W147-F235 HydrophobicContact CB-CE1 3.64Å; W147-F235 HydrophobicContact CB-CZ 3.81Å; W147-F235 HydrophobicContact CD2-CE2 4.25Å; W147-F235 HydrophobicContact CD2-CZ 4.25Å; W147-F235 HydrophobicContact CE3-CD1 4.19Å; W147-F235 AromaticContact CE3-CD2 3.42Å; W147-F235 HydrophobicContact CE3-CD2 3.42Å; W147-F235 VanDerWaalsContact CE3-CD2 3.42Å; W147-F235 HydrophobicContact CE3-CE1 4.1Å; W147-F235 AromaticContact CE3-CE2 3.32Å; W147-F235 HydrophobicContact CE3-CE2 3.32Å; W147-F235 AromaticContact CE3-CG 3.85Å; W147-F235 HydrophobicContact CE3-CG 3.85Å; W147-F235 AromaticContact CE3-CZ 3.68Å; W147-F235 HydrophobicContact CE3-CZ 3.68Å; W147-F235 VanDerWaalsContact CE3-O 3.26Å; W147-F235 HydrophobicContact CG-CZ 4.35Å; W147-F235 AromaticContact CZ3-CD2 3.65Å; W147-F235 HydrophobicContact CZ3-CD2 3.65Å; W147-F235 AromaticContact CZ3-CE2 3.78Å; W147-F235 HydrophobicContact CZ3-CE2 3.78Å; W147-F235 HydrophobicContact CZ3-CG 4.34Å; I148-F235 PolarHBondContact N-O 3.2Å; L174-F235 HydrophobicContact CD2-CE2 4.06Å; L174-F235 HydrophobicContact CD2-CZ 3.76Å; F235-V244 VanDerWaalsContact C-CG2 3.43Å; F235-I261 VanDerWaalsContact CA-O 3.3Å; F235-I261 WeakPolarHBondContact CA-O 3.45Å; F235-I261 HydrophobicContact CB-CB 3.73Å; F235-I261 HydrophobicContact CB-CD1 4.16Å; F235-I261 HydrophobicContact CB-CG1 4.26Å; F235-V489 HydrophobicContact CD2-CG1 4.49Å; F235-V489 HydrophobicContact CE2-CG1 4Å; F235-F490 HydrophobicContact CE2-CZ 4.28Å; F235-F490 HydrophobicContact CZ-CZ 4.22Å
236	G	98.9	Very high	98.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	158.1	-170.4	0	0	0	0	0	112.3	I148 G241 I261 Q263	I148-G236 WeakPolarHBondContact O-CA 3.22Å; G236-G241 VanDerWaalsContact C-N 3.27Å; G236-G241 VanDerWaalsContact O-CA 3.25Å; G236-G241 WeakPolarHBondContact O-CA 3.33Å; G236-I261 PolarHBondContact N-O 2.92Å; G236-Q263 WeakPolarHBondContact O-CB 3.5Å; G236-Q263 PolarHBondContact O-N 3.28Å
237	E	98.9	Very high	98.8	Very high	5 Å²	5	7.2 Å²	7.2	2%	0.023	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148	-179.9	-176.1	-79.7	153	0	0	111.6	W147 G150 A239 G240 G241 Q263 H482 A483 L486	W147-E237 HydrophobicContact CH2-CB 3.61Å; W147-E237 HydrophobicContact CZ2-CB 4.39Å; W147-E237 HydrophobicContact CZ3-CB 4.46Å; G150-E237 VanDerWaalsContact CA-O 3.25Å; G150-E237 WeakPolarHBondContact CA-O 3.49Å; G150-E237 PolarHBondContact N-O 3.5Å; E237-A239 PolarHBondContact O-N 3.22Å; E237-G240 WeakPolarHBondContact O-CA 3.07Å; E237-G240 PolarHBondContact O-N 3.22Å; E237-G241 VanDerWaalsContact C-N 3.29Å; E237-G241 PolarHBondContact O-N 3.17Å; E237-Q263 CarbonylContact C-O 3.39Å; E237-Q263 WeakPolarHBondContact CA-O 3.13Å; E237-Q263 HydrophobicContact CB-CB 3.97Å; E237-Q263 HydrophobicContact CG-CB 4.1Å; E237-H482 IonicContact OE1-CD2 2.79Å; E237-H482 IonicContact OE1-CE1 2.62Å; E237-H482 PolarHBondContact OE1-CE1 3.18Å; E237-H482 VanDerWaalsContact OE1-CE1 3.26Å; E237-H482 IonicContact OE1-ND1 2.83Å; E237-H482 IonicContact OE1-NE2 3.7Å; E237-A483 WeakPolarHBondContact OE1-CA 3.4Å; E237-A483 PolarHBondContact OE1-N 2.95Å; E237-L486 HydrophobicContact CB-CD2 3.56Å; E237-L486 HydrophobicContact CB-CG 4.4Å; E237-L486 HydrophobicContact CG-CD2 3.77Å; E237-L486 HydrophobicContact CG-CG 4.08Å
238	S	98.7	Very high	98.8	Very high	9 Å²	9	7.4 Å²	7.4	6%	0.063	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-127.8	-179.4	-172.7	0	0	0	0	111.2	G240 G241 A242 Q263 S264 H482	S238-G240 PolarHBondContact O-N 3.08Å; S238-G240 VanDerWaalsContact O-N 3.11Å; S238-G241 WeakPolarHBondContact O-CA 3.35Å; S238-G241 PolarHBondContact O-N 2.8Å; S238-A242 PolarHBondContact O-N 2.82Å; S238-Q263 PolarHBondContact N-O 2.89Å; S238-S264 WeakPolarHBondContact CA-O 3.39Å; S238-H482 VanDerWaalsContact CB-NE2 3.26Å; S238-H482 WeakPolarHBondContact CB-NE2 3.42Å; S238-H482 PolarHBondContact OG-CE1 3.28Å; S238-H482 PolarHBondContact OG-NE2 3.44Å
239	A	98.8	Very high	98.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-52.9	-29	170.7	0	0	0	0	0	113.4	F153 E237 S243 W271	F153-A239 HydrophobicContact CD1-CB 3.85Å; F153-A239 HydrophobicContact CD2-CB 3.79Å; F153-A239 HydrophobicContact CE1-CB 3.86Å; F153-A239 WeakPolarHBondContact CE1-O 3.36Å; F153-A239 HydrophobicContact CE2-CB 3.8Å; F153-A239 HydrophobicContact CG-CB 3.82Å; F153-A239 HydrophobicContact CZ-CB 3.83Å; F153-A239 WeakPolarHBondContact CZ-O 3.06Å; E237-A239 PolarHBondContact O-N 3.22Å; A239-S243 VanDerWaalsContact O-CB 3.25Å; A239-S243 WeakPolarHBondContact O-CB 3.25Å; A239-S243 PolarHBondContact O-N 3.28Å; A239-S243 PolarHBondContact O-OG 2.78Å; A239-W271 HydrophobicContact CB-CZ3 4.34Å
240	G	98.9	Very high	98.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-71.8	-35.7	171	0	0	0	0	0	113.2	I148 E237 S238 S243 V244	I148-G240 WeakPolarHBondContact O-CA 3.45Å; E237-G240 WeakPolarHBondContact O-CA 3.07Å; E237-G240 PolarHBondContact O-N 3.22Å; S238-G240 PolarHBondContact O-N 3.08Å; S238-G240 VanDerWaalsContact O-N 3.11Å; G240-S243 WeakPolarHBondContact O-CB 3.49Å; G240-S243 PolarHBondContact O-N 3.37Å; G240-V244 WeakPolarHBondContact O-CG2 3.17Å; G240-V244 PolarHBondContact O-N 2.83Å
241	G	98.9	Very high	98.8	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.8	-42.5	173	0	0	0	0	0	112.1	G236 E237 S238 S243 V244 N245 S262 G265	G236-G241 VanDerWaalsContact C-N 3.27Å; G236-G241 VanDerWaalsContact O-CA 3.25Å; G236-G241 WeakPolarHBondContact O-CA 3.33Å; E237-G241 VanDerWaalsContact C-N 3.29Å; E237-G241 PolarHBondContact O-N 3.17Å; S238-G241 WeakPolarHBondContact O-CA 3.35Å; S238-G241 PolarHBondContact O-N 2.8Å; G241-S243 VanDerWaalsContact C-N 3.34Å; G241-V244 WeakPolarHBondContact O-CB 3.37Å; G241-V244 PolarHBondContact O-N 3.35Å; G241-N245 PolarHBondContact O-N 2.85Å; G241-N245 VanDerWaalsContact O-N 3.15Å; G241-S262 PolarHBondContact O-OG 3.38Å; G241-G265 CarbonylContact C-O 3.55Å; G241-G265 WeakPolarHBondContact CA-O 3.26Å
242	A	98.9	Very high	98.8	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-62.7	-42.6	170.9	0	0	0	0	0	111	F153 S238 V244 N245 F246 G265 W271 A272	F153-A242 HydrophobicContact CZ-CB 4.11Å; S238-A242 PolarHBondContact O-N 2.82Å; A242-V244 PolarHBondContact O-N 3.31Å; A242-N245 PolarHBondContact O-N 3.16Å; A242-N245 VanDerWaalsContact O-N 3.11Å; A242-F246 HydrophobicContact CB-CE2 4.17Å; A242-F246 WeakPolarHBondContact O-CD2 3.44Å; A242-F246 WeakPolarHBondContact O-CG 3.3Å; A242-F246 PolarHBondContact O-N 2.72Å; A242-G265 PolarHBondContact N-O 3.48Å; A242-G265 VanDerWaalsContact N-O 3.14Å; A242-W271 HydrophobicContact CB-CH2 3.72Å; A242-W271 HydrophobicContact CB-CZ3 3.84Å; A242-A272 HydrophobicContact CB-CB 4.12Å
243	S	98.9	Very high	98.8	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-56.4	-47.4	172.8	-65.9	0	0	0	0	112	F153 Q211 A239 G240 G241 N245 F246 Q247	F153-S243 WeakPolarHBondContact CE1-OG 3.3Å; Q211-S243 PolarHBondContact NE2-OG 3.11Å; Q211-S243 VanDerWaalsContact OE1-CB 3.3Å; Q211-S243 PolarHBondContact OE1-OG 3.15Å; A239-S243 VanDerWaalsContact O-CB 3.25Å; A239-S243 WeakPolarHBondContact O-CB 3.25Å; A239-S243 PolarHBondContact O-N 3.28Å; A239-S243 PolarHBondContact O-OG 2.78Å; G240-S243 WeakPolarHBondContact O-CB 3.49Å; G240-S243 PolarHBondContact O-N 3.37Å; G241-S243 VanDerWaalsContact C-N 3.34Å; S243-N245 VanDerWaalsContact C-N 3.25Å; S243-N245 PolarHBondContact O-N 3.01Å; S243-F246 PolarHBondContact O-N 3.29Å; S243-F246 VanDerWaalsContact O-N 3.12Å; S243-Q247 VanDerWaalsContact O-CG 3.23Å; S243-Q247 WeakPolarHBondContact O-CG 3.44Å; S243-Q247 PolarHBondContact O-N 2.83Å
244	V	98.9	Very high	98.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-53.4	-45.5	174.6	162.1	0	0	0	0	111.3	I148 V234 F235 G240 G241 A242 Q247 I248 A260	I148-V244 HydrophobicContact CD1-CG2 4.11Å; V234-V244 HydrophobicContact CB-CG2 4.28Å; V234-V244 HydrophobicContact CG2-CG1 3.9Å; V234-V244 HydrophobicContact CG2-CG2 4.3Å; F235-V244 VanDerWaalsContact C-CG2 3.43Å; G240-V244 WeakPolarHBondContact O-CG2 3.17Å; G240-V244 PolarHBondContact O-N 2.83Å; G241-V244 WeakPolarHBondContact O-CB 3.37Å; G241-V244 PolarHBondContact O-N 3.35Å; A242-V244 PolarHBondContact O-N 3.31Å; V244-Q247 PolarHBondContact O-N 3.38Å; V244-I248 PolarHBondContact O-N 2.88Å; V244-I248 VanDerWaalsContact O-N 3.17Å; V244-A260 HydrophobicContact CG1-CB 3.62Å
245	N	98.8	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-43.5	178.3	-168.2	-153.2	0	0	0	111.4	G241 A242 S243 Q247 I248 L249 V266 A267	G241-N245 PolarHBondContact O-N 2.85Å; G241-N245 VanDerWaalsContact O-N 3.15Å; A242-N245 PolarHBondContact O-N 3.16Å; A242-N245 VanDerWaalsContact O-N 3.11Å; S243-N245 VanDerWaalsContact C-N 3.25Å; S243-N245 PolarHBondContact O-N 3.01Å; N245-Q247 VanDerWaalsContact C-N 3.31Å; N245-Q247 PolarHBondContact O-N 3.17Å; N245-I248 WeakPolarHBondContact O-CG1 3.27Å; N245-I248 PolarHBondContact O-N 3.46Å; N245-L249 WeakPolarHBondContact O-CB 3.17Å; N245-L249 WeakPolarHBondContact O-CG 3.35Å; N245-L249 PolarHBondContact O-N 3.48Å; N245-L249 VanDerWaalsContact O-N 3.08Å; N245-V266 HydrophobicContact CB-CB 4.47Å; N245-A267 HydrophobicContact CB-CB 4.1Å; N245-A267 WeakPolarHBondContact OD1-CB 3.49Å; N245-A267 PolarHBondContact OD1-N 2.88Å
246	F	98.9	Very high	98.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-57.9	-41	172.2	-66.7	-53.4	0	0	0	113	F153 L208 A242 S243 I248 L249 T250 A267 A272 I273 P332 F338 L339 P343	F153-F246 HydrophobicContact CZ-CE2 4.25Å; L208-F246 HydrophobicContact CD1-CB 4.21Å; L208-F246 HydrophobicContact CD1-CD2 4.24Å; L208-F246 HydrophobicContact CD1-CG 4.23Å; L208-F246 HydrophobicContact CD2-CD2 4.23Å; A242-F246 HydrophobicContact CB-CE2 4.17Å; A242-F246 WeakPolarHBondContact O-CD2 3.44Å; A242-F246 WeakPolarHBondContact O-CG 3.3Å; A242-F246 PolarHBondContact O-N 2.72Å; S243-F246 PolarHBondContact O-N 3.29Å; S243-F246 VanDerWaalsContact O-N 3.12Å; F246-I248 VanDerWaalsContact C-N 3.29Å; F246-I248 PolarHBondContact O-N 3.06Å; F246-L249 PolarHBondContact O-N 3.14Å; F246-T250 PolarHBondContact O-N 3.28Å; F246-A267 HydrophobicContact CD1-CB 3.58Å; F246-A267 HydrophobicContact CE1-CB 3.38Å; F246-A267 HydrophobicContact CG-CB 4.31Å; F246-A267 HydrophobicContact CZ-CB 3.92Å; F246-A272 HydrophobicContact CE2-CB 4.16Å; F246-A272 HydrophobicContact CZ-CB 3.89Å; F246-A272 WeakPolarHBondContact CZ-O 3.41Å; F246-I273 HydrophobicContact CE1-CD1 4.04Å; F246-I273 HydrophobicContact CE1-CG1 4.01Å; F246-I273 HydrophobicContact CZ-CD1 4.37Å; F246-I273 HydrophobicContact CZ-CG1 3.84Å; F246-P332 HydrophobicContact CD2-CG 4.12Å; F246-P332 HydrophobicContact CE2-CB 4Å; F246-P332 HydrophobicContact CE2-CG 3.66Å; F246-P332 HydrophobicContact CZ-CB 4.1Å; F246-P332 HydrophobicContact CZ-CG 4.24Å; F246-F338 HydrophobicContact CB-CE1 4.42Å; F246-L339 HydrophobicContact CB-CD2 4.43Å; F246-L339 HydrophobicContact CD1-CD1 3.65Å; F246-L339 HydrophobicContact CD1-CD2 3.74Å; F246-L339 HydrophobicContact CD1-CG 4.34Å; F246-L339 HydrophobicContact CE1-CD1 3.65Å; F246-L339 HydrophobicContact CE1-CD2 4.48Å; F246-L339 HydrophobicContact CG-CD1 4.5Å; F246-L339 HydrophobicContact CG-CD2 4.46Å; F246-P343 HydrophobicContact CE1-CG 3.94Å
247	Q	98.9	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-67.1	-27	-179.5	-65.2	-62.1	-25.3	0	0	112.7	I148 L208 I215 S243 V244 N245 T250 N253 I257	I148-Q247 HydrophobicContact CD1-CG 4.07Å; L208-Q247 PolarHBondContact O-NE2 2.68Å; I215-Q247 HydrophobicContact CD1-CB 4.1Å; I215-Q247 HydrophobicContact CD1-CG 3.81Å; S243-Q247 VanDerWaalsContact O-CG 3.23Å; S243-Q247 WeakPolarHBondContact O-CG 3.44Å; S243-Q247 PolarHBondContact O-N 2.83Å; V244-Q247 PolarHBondContact O-N 3.38Å; N245-Q247 VanDerWaalsContact C-N 3.31Å; N245-Q247 PolarHBondContact O-N 3.17Å; Q247-T250 WeakPolarHBondContact O-CG2 3.4Å; Q247-N253 VanDerWaalsContact O-CB 3.26Å; Q247-N253 WeakPolarHBondContact O-CB 3.39Å; Q247-N253 PolarHBondContact O-ND2 3.4Å; Q247-N253 PolarHBondContact OE1-ND2 3.27Å; Q247-I257 HydrophobicContact CB-CD1 3.98Å; Q247-I257 WeakPolarHBondContact O-CD1 3.29Å
248	I	98.8	Very high	98.4	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.036	14%	0.135	C	C	.	.	H	α-helix	trans	-88.8	-19.2	173.7	65.3	173.6	0	0	0	113.5	V234 V244 N245 F246 I257 A260 A350 V353 Y355	V234-I248 HydrophobicContact CG2-CG2 4.32Å; V244-I248 PolarHBondContact O-N 2.88Å; V244-I248 VanDerWaalsContact O-N 3.17Å; N245-I248 WeakPolarHBondContact O-CG1 3.27Å; N245-I248 PolarHBondContact O-N 3.46Å; F246-I248 VanDerWaalsContact C-N 3.29Å; F246-I248 PolarHBondContact O-N 3.06Å; I248-I257 HydrophobicContact CG2-CD1 4.07Å; I248-I257 HydrophobicContact CG2-CG2 3.91Å; I248-A260 HydrophobicContact CD1-CB 4.04Å; I248-A260 HydrophobicContact CG2-CB 3.64Å; I248-A350 HydrophobicContact CB-CB 4.26Å; I248-A350 HydrophobicContact CD1-CB 4.02Å; I248-A350 HydrophobicContact CG1-CB 4.17Å; I248-V353 HydrophobicContact CG2-CG1 4.07Å; I248-Y355 HydrophobicContact CD1-CD2 3.99Å; I248-Y355 HydrophobicContact CD1-CE2 4.08Å; I248-Y355 HydrophobicContact CD1-CG 4.34Å
249	L	98.8	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-87.9	-26.1	178.5	-66.2	176.8	0	0	0	112.8	N245 F246 A267 P343 L346 F347 N349	N245-L249 WeakPolarHBondContact O-CB 3.17Å; N245-L249 WeakPolarHBondContact O-CG 3.35Å; N245-L249 PolarHBondContact O-N 3.48Å; N245-L249 VanDerWaalsContact O-N 3.08Å; F246-L249 PolarHBondContact O-N 3.14Å; L249-A267 HydrophobicContact CD1-CB 3.8Å; L249-P343 HydrophobicContact CD1-CB 3.77Å; L249-L346 HydrophobicContact CB-CB 3.97Å; L249-L346 HydrophobicContact CD2-CB 4.11Å; L249-L346 WeakPolarHBondContact CD2-O 3.46Å; L249-L346 HydrophobicContact CG-CB 4.47Å; L249-F347 HydrophobicContact CD1-CE2 4.25Å; L249-F347 HydrophobicContact CD1-CZ 4.43Å; L249-F347 HydrophobicContact CD2-CB 4.29Å; L249-F347 HydrophobicContact CD2-CD1 4Å; L249-F347 HydrophobicContact CD2-CD2 3.9Å; L249-F347 HydrophobicContact CD2-CE1 4.28Å; L249-F347 HydrophobicContact CD2-CE2 4.17Å; L249-F347 HydrophobicContact CD2-CG 3.81Å; L249-F347 HydrophobicContact CD2-CZ 4.36Å; L249-N349 PolarHBondContact O-ND2 2.96Å
250	T	98.7	Very high	98.4	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	13%	0.134	C	C	.	.	S	Bend	trans	-69.4	137.1	177	-172.3	0	0	0	0	111.8	F246 Q247 H252 N253 F338	F246-T250 PolarHBondContact O-N 3.28Å; Q247-T250 WeakPolarHBondContact O-CG2 3.4Å; T250-H252 HydrophobicContact CG2-CB 4.36Å; T250-H252 PolarHBondContact O-N 3Å; T250-H252 PolarHBondContact OG1-CD2 2.92Å; T250-H252 PolarHBondContact OG1-N 2.67Å; T250-N253 HydrophobicContact CG2-CB 4.13Å; T250-N253 WeakPolarHBondContact CG2-ND2 3.48Å; T250-N253 PolarHBondContact O-N 3.02Å; T250-F338 WeakPolarHBondContact CB-O 3.42Å; T250-F338 HydrophobicContact CG2-CE1 4.04Å; T250-F338 HydrophobicContact CG2-CE2 4.16Å; T250-F338 HydrophobicContact CG2-CZ 3.73Å; T250-F338 PolarHBondContact OG1-O 3.46Å
251	P	98.2	Very high	98.4	Very high	55 Å²	55	24.6 Å²	24.6	36%	0.357	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-65.3	-19.7	175.1	27.2	-35.3	0	0	0	113	N253 K254 P340	P251-N253 PolarHBondContact O-N 3.23Å; P251-K254 WeakPolarHBondContact O-CB 3.32Å; P251-K254 PolarHBondContact O-N 2.88Å; P251-P340 HydrophobicContact CG-CG 4.36Å
252	H	98.5	Very high	98.4	Very high	70 Å²	70	24.6 Å²	24.6	32%	0.324	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-69.7	-10.8	-176.4	-67.1	-74.2	0	0	0	114.6	W209 Q212 T250 M256 D337	W209-H252 AromaticContact CH2-CD2 3.49Å; W209-H252 VanDerWaalsContact CH2-CD2 3.49Å; W209-H252 WeakPolarHBondContact CH2-CD2 3.5Å; W209-H252 AromaticContact CH2-CE1 3.65Å; W209-H252 AromaticContact CH2-CG 3.68Å; W209-H252 AromaticContact CH2-ND1 3.78Å; W209-H252 AromaticContact CH2-NE2 3.46Å; W209-H252 WeakPolarHBondContact CH2-NE2 3.36Å; W209-H252 HydrophobicContact CZ3-CB 4.39Å; W209-H252 AromaticContact CZ3-CG 3.99Å; Q212-H252 HydrophobicContact CG-CB 4.43Å; Q212-H252 PolarHBondContact NE2-O 3.42Å; T250-H252 HydrophobicContact CG2-CB 4.36Å; T250-H252 PolarHBondContact O-N 3Å; T250-H252 PolarHBondContact OG1-CD2 2.92Å; T250-H252 PolarHBondContact OG1-N 2.67Å; H252-M256 VanDerWaalsContact O-CE 3.24Å; H252-M256 WeakPolarHBondContact O-CE 3.49Å; H252-D337 IonicContact CE1-OD1 2.99Å; H252-D337 PolarHBondContact CE1-OD1 2.98Å; H252-D337 PolarHBondContact NE2-O 3.04Å; H252-D337 VanDerWaalsContact NE2-O 3.17Å; H252-D337 IonicContact NE2-OD1 3.86Å; H252-D337 PolarHBondContact NE2-OD1 2.9Å
253	N	98.4	Very high	98.4	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-109.1	7.4	177.6	-75.3	-35.3	0	0	0	114.7	Q212 Q247 T250 P251 G255 M256 I257	Q212-N253 WeakPolarHBondContact CG-OD1 2.99Å; Q247-N253 VanDerWaalsContact O-CB 3.26Å; Q247-N253 WeakPolarHBondContact O-CB 3.39Å; Q247-N253 PolarHBondContact O-ND2 3.4Å; Q247-N253 PolarHBondContact OE1-ND2 3.27Å; T250-N253 HydrophobicContact CG2-CB 4.13Å; T250-N253 WeakPolarHBondContact CG2-ND2 3.48Å; T250-N253 PolarHBondContact O-N 3.02Å; P251-N253 PolarHBondContact O-N 3.23Å; N253-G255 PolarHBondContact O-N 2.79Å; N253-G255 VanDerWaalsContact O-N 3.1Å; N253-M256 HydrophobicContact CB-CE 4.39Å; N253-M256 PolarHBondContact O-N 3.42Å; N253-M256 VanDerWaalsContact OD1-CE 3.27Å; N253-M256 WeakPolarHBondContact OD1-CE 3.38Å; N253-I257 HydrophobicContact CB-CD1 3.86Å; N253-I257 HydrophobicContact CB-CG1 4.34Å
254	K	94.9	Very high	98.4	Very high	179 Å²	179	24.6 Å²	24.6	78%	0.778	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.7	120.3	-178.7	-172	170.1	-175.3	168.6	0	111.1	P251 M256	P251-K254 WeakPolarHBondContact O-CB 3.32Å; P251-K254 PolarHBondContact O-N 2.88Å; K254-M256 PolarHBondContact O-N 2.79Å
255	G	95.1	Very high	98.4	Very high	68 Å²	68	24.6 Å²	24.6	70%	0.701	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.1	-3.9	178.8	0	0	0	0	0	116.2	N253	N253-G255 PolarHBondContact O-N 2.79Å; N253-G255 VanDerWaalsContact O-N 3.1Å
256	M	98.2	Very high	98.4	Very high	28 Å²	28	24.6 Å²	24.6	14%	0.138	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-32.3	177.3	-68.4	-169.6	-69.9	0	0	113.3	A216 Y219 H252 N253 K254	A216-M256 HydrophobicContact CB-CE 4.31Å; A216-M256 HydrophobicContact CB-SD 4.02Å; Y219-M256 HydrophobicContact CD1-CG 4.13Å; Y219-M256 HydrophobicContact CD1-SD 4.22Å; Y219-M256 HydrophobicContact CD2-CB 4.07Å; Y219-M256 HydrophobicContact CD2-CG 3.92Å; Y219-M256 HydrophobicContact CE1-CG 4.45Å; Y219-M256 HydrophobicContact CE2-CG 4.25Å; Y219-M256 HydrophobicContact CG-CB 4.33Å; Y219-M256 HydrophobicContact CG-CG 3.86Å; Y219-M256 HydrophobicContact CG-SD 4.14Å; H252-M256 VanDerWaalsContact O-CE 3.24Å; H252-M256 WeakPolarHBondContact O-CE 3.49Å; N253-M256 HydrophobicContact CB-CE 4.39Å; N253-M256 PolarHBondContact O-N 3.42Å; N253-M256 VanDerWaalsContact OD1-CE 3.27Å; N253-M256 WeakPolarHBondContact OD1-CE 3.38Å; K254-M256 PolarHBondContact O-N 2.79Å
257	I	98.8	Very high	98.4	Very high	14 Å²	14	24.7 Å²	24.7	7%	0.072	14%	0.136	C	C	.	.			trans	-99.5	123.5	-179.6	-60.3	171.8	0	0	0	108.5	I215 V234 Q247 I248 N253 R259 V353	I215-I257 HydrophobicContact CD1-CD1 4.36Å; I215-I257 HydrophobicContact CG2-CG1 4.14Å; V234-I257 HydrophobicContact CG1-CD1 4.09Å; V234-I257 HydrophobicContact CG1-CG1 4.13Å; V234-I257 HydrophobicContact CG1-CG2 4.44Å; V234-I257 HydrophobicContact CG2-CD1 4.1Å; V234-I257 HydrophobicContact CG2-CG2 3.78Å; Q247-I257 HydrophobicContact CB-CD1 3.98Å; Q247-I257 WeakPolarHBondContact O-CD1 3.29Å; I248-I257 HydrophobicContact CG2-CD1 4.07Å; I248-I257 HydrophobicContact CG2-CG2 3.91Å; N253-I257 HydrophobicContact CB-CD1 3.86Å; N253-I257 HydrophobicContact CB-CG1 4.34Å; I257-R259 WeakPolarHBondContact CG2-O 3.19Å; I257-V353 HydrophobicContact CG2-CG1 4.23Å
258	K	98.8	Very high	98.3	Very high	72 Å²	72	26.8 Å²	26.8	31%	0.313	15%	0.147	S	C	.	.	S	Bend	trans	-90.1	-36.2	175.2	-174.6	55.7	-171.7	157.8	0	111.9	I232 D352 V353 D354	I232-K258 WeakPolarHBondContact O-CA 3.28Å; I232-K258 WeakPolarHBondContact O-CB 3.38Å; I232-K258 PolarHBondContact O-N 3.21Å; K258-D352 PolarHBondContact NZ-O 2.89Å; K258-V353 WeakPolarHBondContact O-CA 3.29Å; K258-D354 PolarHBondContact O-N 3.16Å
259	R	98.9	Very high	98.3	Very high	13 Å²	13	26.7 Å²	26.7	5%	0.049	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	160.1	-177.7	-45.9	-171	-171	77.9	-2	112.7	N231 I232 T233 V234 I257 D354 F518 A519 K520 G522	N231-R259 PolarHBondContact OD1-NH1 3.09Å; N231-R259 PolarHBondContact OD1-NH2 2.89Å; I232-R259 PolarHBondContact O-N 3.07Å; I232-R259 VanDerWaalsContact O-N 3.09Å; T233-R259 CarbonylContact C-O 3.55Å; T233-R259 VanDerWaalsContact CA-O 3.26Å; T233-R259 WeakPolarHBondContact CA-O 3.34Å; T233-R259 HydrophobicContact CG2-CB 4Å; V234-R259 PolarHBondContact N-O 3.04Å; I257-R259 WeakPolarHBondContact CG2-O 3.19Å; R259-D354 CarbonylContact C-O 3.49Å; R259-D354 WeakPolarHBondContact CA-O 3.21Å; R259-D354 HydrophobicContact CB-CB 4.25Å; R259-D354 WeakPolarHBondContact CB-O 3.29Å; R259-D354 HydrophobicContact CG-CB 3.86Å; R259-D354 IonicContact NE-OD2 3.96Å; R259-D354 PolarHBondContact NE-OD2 3.09Å; R259-F518 HydrophobicContact CB-CD1 4.39Å; R259-F518 HydrophobicContact CB-CE1 3.6Å; R259-F518 HydrophobicContact CB-CZ 3.98Å; R259-F518 WeakPolarHBondContact CD-O 3.36Å; R259-F518 HydrophobicContact CG-CE1 4.35Å; R259-F518 HydrophobicContact CG-CZ 4.49Å; R259-F518 PolarHBondContact NE-O 3.18Å; R259-A519 PolarHBondContact NH1-O 2.87Å; R259-K520 PolarHBondContact NH2-O 3.48Å; R259-K520 VanDerWaalsContact NH2-O 3.14Å; R259-G522 VanDerWaalsContact CD-CA 3.49Å
260	A	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.4	178.8	0	0	0	0	0	112.6	V234 V244 I248 V353 D354 Y355 M356	V234-A260 HydrophobicContact CG2-CB 3.9Å; V234-A260 CarbonylContact O-C 3.49Å; V234-A260 VanDerWaalsContact O-CA 3.23Å; V234-A260 WeakPolarHBondContact O-CA 3.5Å; V244-A260 HydrophobicContact CG1-CB 3.62Å; I248-A260 HydrophobicContact CD1-CB 4.04Å; I248-A260 HydrophobicContact CG2-CB 3.64Å; A260-V353 HydrophobicContact CB-CG1 4.14Å; A260-D354 PolarHBondContact N-O 2.91Å; A260-Y355 HydrophobicContact CB-CD2 3.63Å; A260-Y355 HydrophobicContact CB-CE2 4.07Å; A260-Y355 WeakPolarHBondContact O-CA 3.41Å; A260-Y355 WeakPolarHBondContact O-CD2 3.46Å; A260-M356 PolarHBondContact O-N 3.1Å
261	I	99	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	113.5	173.2	-49.5	170	0	0	0	109.3	M145 T233 V234 F235 G236 Q263 M356 W515 F518	M145-I261 HydrophobicContact CE-CD1 4.23Å; T233-I261 HydrophobicContact CG2-CD1 4.07Å; T233-I261 HydrophobicContact CG2-CG1 4.15Å; V234-I261 PolarHBondContact O-N 2.73Å; F235-I261 VanDerWaalsContact CA-O 3.3Å; F235-I261 WeakPolarHBondContact CA-O 3.45Å; F235-I261 HydrophobicContact CB-CB 3.73Å; F235-I261 HydrophobicContact CB-CD1 4.16Å; F235-I261 HydrophobicContact CB-CG1 4.26Å; G236-I261 PolarHBondContact N-O 2.92Å; I261-Q263 HydrophobicContact CG2-CG 4.14Å; I261-M356 CarbonylContact C-O 3.53Å; I261-M356 VanDerWaalsContact CA-O 3.26Å; I261-M356 WeakPolarHBondContact CA-O 3.4Å; I261-M356 HydrophobicContact CB-CE 4.49Å; I261-M356 HydrophobicContact CD1-CE 3.39Å; I261-M356 HydrophobicContact CG1-CB 4.29Å; I261-M356 HydrophobicContact CG1-CE 3.59Å; I261-M356 HydrophobicContact CG1-CG 4.49Å; I261-M356 HydrophobicContact CG2-CB 4.15Å; I261-M356 HydrophobicContact CG2-CE 4.14Å; I261-W515 HydrophobicContact CD1-CB 4.45Å; I261-W515 HydrophobicContact CD1-CG 3.93Å; I261-W515 HydrophobicContact CG2-CZ2 4.14Å; I261-F518 HydrophobicContact CD1-CD1 3.91Å; I261-F518 HydrophobicContact CD1-CE1 4.32Å; I261-F518 HydrophobicContact CG1-CD1 3.86Å; I261-F518 HydrophobicContact CG1-CE1 3.77Å
262	S	99	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116	174.9	-74.6	0	0	0	0	110.6	G241 G265 Y355 M356 A357 G358	G241-S262 PolarHBondContact O-OG 3.38Å; S262-G265 WeakPolarHBondContact CB-O 3.49Å; S262-Y355 WeakPolarHBondContact CB-OH 3.49Å; S262-Y355 WeakPolarHBondContact OG-CE2 3.46Å; S262-Y355 PolarHBondContact OG-OH 3.04Å; S262-M356 PolarHBondContact N-O 3.16Å; S262-A357 VanDerWaalsContact O-CA 3.23Å; S262-A357 WeakPolarHBondContact O-CA 3.47Å; S262-G358 PolarHBondContact O-N 2.78Å; S262-G358 VanDerWaalsContact O-N 3.16Å
263	Q	98.9	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.7	177.5	-50.4	173.2	-160.6	0	0	108.5	G236 E237 S238 I261 G265 Y459 D485 W515	G236-Q263 WeakPolarHBondContact O-CB 3.5Å; G236-Q263 PolarHBondContact O-N 3.28Å; E237-Q263 CarbonylContact C-O 3.39Å; E237-Q263 WeakPolarHBondContact CA-O 3.13Å; E237-Q263 HydrophobicContact CB-CB 3.97Å; E237-Q263 HydrophobicContact CG-CB 4.1Å; S238-Q263 PolarHBondContact N-O 2.89Å; I261-Q263 HydrophobicContact CG2-CG 4.14Å; Q263-G265 PolarHBondContact O-N 3.46Å; Q263-G265 VanDerWaalsContact O-N 3.08Å; Q263-Y459 WeakPolarHBondContact CA-OH 3.19Å; Q263-Y459 VanDerWaalsContact CB-OH 3.28Å; Q263-Y459 WeakPolarHBondContact CB-OH 3.39Å; Q263-Y459 VanDerWaalsContact CG-OH 3.27Å; Q263-Y459 WeakPolarHBondContact CG-OH 3.3Å; Q263-D485 PolarHBondContact NE2-OD2 3.15Å; Q263-W515 HydrophobicContact CG-CZ2 4.25Å
264	S	98.8	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	53.2	38.3	171.5	-62.4	0	0	0	0	114.5	S238 G358 D363 F436	S238-S264 WeakPolarHBondContact CA-O 3.39Å; S264-G358 PolarHBondContact N-O 3.48Å; S264-D363 WeakPolarHBondContact CB-OD1 3.38Å; S264-D363 WeakPolarHBondContact CB-OD2 3.41Å; S264-D363 VanDerWaalsContact OG-CG 3.25Å; S264-D363 PolarHBondContact OG-OD1 3.23Å; S264-D363 PolarHBondContact OG-OD2 2.92Å; S264-F436 WeakPolarHBondContact O-CD1 3.42Å; S264-F436 VanDerWaalsContact O-CE1 3.22Å; S264-F436 WeakPolarHBondContact O-CE1 3.34Å
265	G	98.7	Very high	97.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.135	C	C	.	.			trans	170.8	134.5	179	0	0	0	0	0	112.7	G241 A242 S262 Q263	G241-G265 CarbonylContact C-O 3.55Å; G241-G265 WeakPolarHBondContact CA-O 3.26Å; A242-G265 PolarHBondContact N-O 3.48Å; A242-G265 VanDerWaalsContact N-O 3.14Å; S262-G265 WeakPolarHBondContact CB-O 3.49Å; Q263-G265 PolarHBondContact O-N 3.46Å; Q263-G265 VanDerWaalsContact O-N 3.08Å
266	V	98.9	Very high	97.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.			trans	-140.9	169.1	178.3	-66.2	0	0	0	0	110.1	N245 L268 S269 A272 Y355 P439 T440 A443	N245-V266 HydrophobicContact CB-CB 4.47Å; V266-L268 HydrophobicContact CG2-CB 4.24Å; V266-L268 PolarHBondContact O-N 3.32Å; V266-L268 VanDerWaalsContact O-N 3.15Å; V266-S269 PolarHBondContact N-OG 3.1Å; V266-S269 WeakPolarHBondContact O-CB 3.41Å; V266-S269 PolarHBondContact O-N 3.31Å; V266-S269 PolarHBondContact O-OG 3.42Å; V266-A272 WeakPolarHBondContact O-CB 2.98Å; V266-Y355 WeakPolarHBondContact CG1-OH 3.34Å; V266-P439 VanDerWaalsContact CG2-C 3.47Å; V266-P439 HydrophobicContact CG2-CB 3.7Å; V266-P439 WeakPolarHBondContact CG2-O 3.49Å; V266-T440 HydrophobicContact CG1-CG2 4.46Å; V266-A443 HydrophobicContact CB-CB 4.08Å; V266-A443 HydrophobicContact CG1-CB 4.08Å; V266-A443 HydrophobicContact CG2-CB 4.09Å
267	A	98.5	Very high	97.7	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.4	-178.8	0	0	0	0	0	113.3	N245 F246 L249 P343	N245-A267 HydrophobicContact CB-CB 4.1Å; N245-A267 WeakPolarHBondContact OD1-CB 3.49Å; N245-A267 PolarHBondContact OD1-N 2.88Å; F246-A267 HydrophobicContact CD1-CB 3.58Å; F246-A267 HydrophobicContact CE1-CB 3.38Å; F246-A267 HydrophobicContact CG-CB 4.31Å; F246-A267 HydrophobicContact CZ-CB 3.92Å; L249-A267 HydrophobicContact CD1-CB 3.8Å; A267-P343 HydrophobicContact CB-CB 3.66Å; A267-P343 HydrophobicContact CB-CG 4Å
268	L	98.4	Very high	97.6	Very high	44 Å²	44	27.1 Å²	27.1	23%	0.23	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-4.7	177.5	-56.1	-178.5	0	0	0	113.8	V266 P343 F347 P439 A442 A443 L446	V266-L268 HydrophobicContact CG2-CB 4.24Å; V266-L268 PolarHBondContact O-N 3.32Å; V266-L268 VanDerWaalsContact O-N 3.15Å; L268-P343 HydrophobicContact CD2-CB 4.15Å; L268-F347 HydrophobicContact CD1-CE2 4.48Å; L268-P439 HydrophobicContact CB-CB 4.21Å; L268-A442 HydrophobicContact CD1-CB 3.94Å; L268-A443 HydrophobicContact CD1-CB 4.07Å; L268-L446 HydrophobicContact CD1-CD1 3.8Å
269	S	98.4	Very high	97.4	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.028	14%	0.143	C	C	.	.	S	Bend	trans	-61.6	139.5	176.9	-75	0	0	0	0	109.7	V266 W271 A272 L435	V266-S269 PolarHBondContact N-OG 3.1Å; V266-S269 WeakPolarHBondContact O-CB 3.41Å; V266-S269 PolarHBondContact O-N 3.31Å; V266-S269 PolarHBondContact O-OG 3.42Å; S269-W271 VanDerWaalsContact CB-CE2 3.44Å; S269-W271 PolarHBondContact O-N 3.14Å; S269-A272 VanDerWaalsContact O-CB 3.3Å; S269-A272 WeakPolarHBondContact O-CB 3.28Å; S269-A272 PolarHBondContact O-N 3.43Å; S269-L435 PolarHBondContact OG-O 2.83Å; S269-L435 VanDerWaalsContact OG-O 3.07Å
270	P	96.4	Very high	97.2	Very high	52 Å²	52	30 Å²	30	34%	0.338	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.8	-172.4	24.8	-35	0	0	0	113.7	Y434 L435	P270-Y434 HydrophobicContact CB-CE1 3.97Å; P270-Y434 WeakPolarHBondContact CD-O 3.27Å; P270-Y434 HydrophobicContact CG-CD1 3.98Å; P270-Y434 HydrophobicContact CG-CE1 3.65Å; P270-Y434 WeakPolarHBondContact CG-O 3.09Å; P270-L435 HydrophobicContact CG-CD2 4.2Å
271	W	96.8	Very high	97.1	Very high	16 Å²	16	30 Å²	30	6%	0.061	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.5	176	50.2	-97.1	0	0	0	114.1	F153 A239 A242 S269 V325 L328 S331 L435 F436	F153-W271 HydrophobicContact CE2-CE3 4.03Å; F153-W271 AromaticContact CE2-CZ3 3.7Å; F153-W271 HydrophobicContact CE2-CZ3 3.7Å; F153-W271 HydrophobicContact CZ-CZ3 4.35Å; A239-W271 HydrophobicContact CB-CZ3 4.34Å; A242-W271 HydrophobicContact CB-CH2 3.72Å; A242-W271 HydrophobicContact CB-CZ3 3.84Å; S269-W271 VanDerWaalsContact CB-CE2 3.44Å; S269-W271 PolarHBondContact O-N 3.14Å; W271-V325 HydrophobicContact CB-CG2 3.69Å; W271-V325 HydrophobicContact CG-CG2 4.27Å; W271-L328 HydrophobicContact CB-CB 4.44Å; W271-L328 HydrophobicContact CB-CD1 3.99Å; W271-S331 VanDerWaalsContact O-CB 3.29Å; W271-S331 WeakPolarHBondContact O-CB 3.41Å; W271-S331 PolarHBondContact O-OG 2.92Å; W271-L435 PolarHBondContact NE1-O 3.38Å; W271-L435 VanDerWaalsContact NE1-O 3.09Å; W271-F436 AromaticContact CE2-CE1 3.8Å; W271-F436 HydrophobicContact CZ2-CD1 4.03Å; W271-F436 AromaticContact CZ2-CE1 3.57Å; W271-F436 HydrophobicContact CZ2-CE1 3.57Å; W271-F436 AromaticContact NE1-CE1 3.61Å
272	A	97.9	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-82.5	-21.1	-171.4	0	0	0	0	0	113.6	A242 F246 V266 S269 P332	A242-A272 HydrophobicContact CB-CB 4.12Å; F246-A272 HydrophobicContact CE2-CB 4.16Å; F246-A272 HydrophobicContact CZ-CB 3.89Å; F246-A272 WeakPolarHBondContact CZ-O 3.41Å; V266-A272 WeakPolarHBondContact O-CB 2.98Å; S269-A272 VanDerWaalsContact O-CB 3.3Å; S269-A272 WeakPolarHBondContact O-CB 3.28Å; S269-A272 PolarHBondContact O-N 3.43Å; A272-P332 VanDerWaalsContact O-CD 3.25Å; A272-P332 WeakPolarHBondContact O-CD 3.49Å
273	I	97.6	Very high	96.9	Very high	19 Å²	19	36.6 Å²	36.6	10%	0.097	18%	0.177	C	C	.	.	S	Bend	trans	-127.6	130.3	176.1	-70	-176.8	0	0	0	110.9	F246 P332 I334 L339 P343	F246-I273 HydrophobicContact CE1-CD1 4.04Å; F246-I273 HydrophobicContact CE1-CG1 4.01Å; F246-I273 HydrophobicContact CZ-CD1 4.37Å; F246-I273 HydrophobicContact CZ-CG1 3.84Å; I273-P332 CarbonylContact C-O 3.54Å; I273-P332 VanDerWaalsContact CA-O 3.27Å; I273-P332 WeakPolarHBondContact CA-O 3.47Å; I273-I334 HydrophobicContact CD1-CG1 4.12Å; I273-I334 HydrophobicContact CG2-CG1 4.37Å; I273-L339 HydrophobicContact CD1-CD1 4.38Å; I273-P343 HydrophobicContact CD1-CG 3.25Å; I273-P343 HydrophobicContact CG1-CG 4.49Å
274	N	96.1	Very high	96.8	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.128	18%	0.177	C	C	.	.			trans	-84.8	114.5	167.6	-175	-8.1	0	0	0	110.2	N276 A329 S331 P332 V333	N274-N276 WeakPolarHBondContact OD1-CA 3.31Å; N274-N276 PolarHBondContact OD1-N 2.86Å; N274-N276 PolarHBondContact OD1-O 3.28Å; N274-A329 PolarHBondContact ND2-O 3.27Å; N274-S331 WeakPolarHBondContact CB-OG 3.4Å; N274-S331 PolarHBondContact N-OG 3.27Å; N274-S331 VanDerWaalsContact N-OG 3.14Å; N274-P332 PolarHBondContact N-O 3.1Å; N274-V333 HydrophobicContact CB-CG1 4.18Å
275	Q	93.1	Very high	96.8	Very high	141 Å²	141	36.6 Å²	36.6	66%	0.659	18%	0.177	S	C	*	.	S	Bend	trans	-80.1	-15.5	178.8	-62.5	-66.6	-17.7	0	0	113.6
276	N	94.1	Very high	96.7	Very high	88 Å²	88	41.8 Å²	41.8	47%	0.471	20%	0.204	S	C	.	.			trans	-135.1	66.4	178.1	-167.4	-9	0	0	0	111.8	N274 R278 K279	N274-N276 WeakPolarHBondContact OD1-CA 3.31Å; N274-N276 PolarHBondContact OD1-N 2.86Å; N274-N276 PolarHBondContact OD1-O 3.28Å; N276-R278 VanDerWaalsContact C-N 3.33Å; N276-R278 PolarHBondContact O-N 3.16Å; N276-K279 WeakPolarHBondContact OD1-CB 3.33Å; N276-K279 PolarHBondContact OD1-N 2.9Å
277	P	96.1	Very high	96.6	Very high	19 Å²	19	47 Å²	47	12%	0.123	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-34.4	-176.3	25.1	-33.4	0	0	0	113.3	S196 K279 F280 A281 V333	S196-P277 CarbonylContact O-C 3.51Å; S196-P277 VanDerWaalsContact O-C 3.31Å; S196-P277 VanDerWaalsContact O-O 3.08Å; P277-K279 PolarHBondContact O-N 2.83Å; P277-F280 PolarHBondContact O-N 3.43Å; P277-A281 PolarHBondContact O-N 3.46Å; P277-V333 HydrophobicContact CB-CG1 3.64Å; P277-V333 HydrophobicContact CG-CB 4.47Å; P277-V333 HydrophobicContact CG-CG1 3.83Å
278	R	96.3	Very high	96.6	Very high	74 Å²	74	47.9 Å²	47.9	28%	0.279	23%	0.234	S	C	.	.	H	α-helix	trans	-57.7	-46.4	-179.5	-179.2	64.6	179.1	-142.6	6.1	111.8	A197 D199 N276 F280 A281 E282 I292	A197-R278 VanDerWaalsContact O-CD 3.3Å; A197-R278 WeakPolarHBondContact O-CD 3.33Å; D199-R278 IonicContact OD2-NH1 3.41Å; D199-R278 PolarHBondContact OD2-NH1 2.92Å; N276-R278 VanDerWaalsContact C-N 3.33Å; N276-R278 PolarHBondContact O-N 3.16Å; R278-F280 VanDerWaalsContact C-N 3.33Å; R278-F280 PolarHBondContact O-N 3.05Å; R278-A281 PolarHBondContact O-N 3.03Å; R278-E282 HydrophobicContact CG-CG 4.49Å; R278-E282 IonicContact CZ-OE1 2.74Å; R278-E282 IonicContact NE-OE1 3.64Å; R278-E282 PolarHBondContact NE-OE1 3.34Å; R278-E282 IonicContact NH2-OE1 2.76Å; R278-E282 WeakPolarHBondContact O-CG 3.35Å; R278-E282 PolarHBondContact O-N 2.83Å; R278-I292 PolarHBondContact NH2-O 2.79Å
279	K	95.4	Very high	96.6	Very high	117 Å²	117	53 Å²	53	51%	0.509	26%	0.261	S	S	.	.	H	α-helix	trans	-55.7	-48.9	179.1	179.9	-177.4	175.7	-174.3	0	111.3	N276 P277 A281 E282 E283	N276-K279 WeakPolarHBondContact OD1-CB 3.33Å; N276-K279 PolarHBondContact OD1-N 2.9Å; P277-K279 PolarHBondContact O-N 2.83Å; K279-A281 PolarHBondContact O-N 3.08Å; K279-E282 PolarHBondContact O-N 2.62Å; K279-E283 VanDerWaalsContact CE-OE1 3.29Å; K279-E283 WeakPolarHBondContact CE-OE1 3.47Å; K279-E283 WeakPolarHBondContact O-CG 3.35Å; K279-E283 PolarHBondContact O-N 2.84Å; K279-E283 VanDerWaalsContact O-N 3.08Å
280	F	94.7	Very high	96.6	Very high	29 Å²	29	53.1 Å²	53.1	13%	0.127	26%	0.262	C	S	.	.	H	α-helix	trans	-67.7	-36.8	-179.8	-169.3	-100.4	0	0	0	112.3	L195 P277 R278 E282 E283 V284 A329 L330	L195-F280 HydrophobicContact CD1-CD1 3.87Å; L195-F280 HydrophobicContact CD1-CE1 4.16Å; P277-F280 PolarHBondContact O-N 3.43Å; R278-F280 VanDerWaalsContact C-N 3.33Å; R278-F280 PolarHBondContact O-N 3.05Å; F280-E282 VanDerWaalsContact C-N 3.33Å; F280-E282 PolarHBondContact O-N 3.38Å; F280-E283 PolarHBondContact O-N 3.37Å; F280-V284 HydrophobicContact CD1-CG2 4.1Å; F280-V284 HydrophobicContact CE1-CG2 3.62Å; F280-V284 HydrophobicContact CZ-CG2 4.02Å; F280-V284 WeakPolarHBondContact O-CG2 3.32Å; F280-V284 PolarHBondContact O-N 2.73Å; F280-A329 HydrophobicContact CB-CB 4.24Å; F280-A329 HydrophobicContact CD1-CB 4.32Å; F280-A329 HydrophobicContact CD2-CB 3.55Å; F280-A329 HydrophobicContact CE2-CB 3.93Å; F280-A329 HydrophobicContact CG-CB 3.75Å; F280-A329 HydrophobicContact CZ-CB 4.48Å; F280-L330 HydrophobicContact CD1-CD2 3.97Å; F280-L330 HydrophobicContact CD1-CG 4.14Å; F280-L330 HydrophobicContact CE1-CD1 3.85Å; F280-L330 HydrophobicContact CE1-CD2 3.49Å; F280-L330 VanDerWaalsContact CE1-CD2 3.49Å; F280-L330 HydrophobicContact CE1-CG 3.37Å; F280-L330 HydrophobicContact CZ-CD1 4.13Å; F280-L330 HydrophobicContact CZ-CD2 4.49Å; F280-L330 HydrophobicContact CZ-CG 3.93Å
281	A	96.9	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-37.6	174	0	0	0	0	0	113.2	L195 S196 P277 R278 K279 V284 A285 M296	L195-A281 HydrophobicContact CD1-CB 4.16Å; L195-A281 HydrophobicContact CG-CB 4.3Å; S196-A281 VanDerWaalsContact O-CB 3.23Å; S196-A281 WeakPolarHBondContact O-CB 3.41Å; P277-A281 PolarHBondContact O-N 3.46Å; R278-A281 PolarHBondContact O-N 3.03Å; K279-A281 PolarHBondContact O-N 3.08Å; A281-V284 PolarHBondContact O-N 3.22Å; A281-A285 VanDerWaalsContact O-CB 3.27Å; A281-A285 WeakPolarHBondContact O-CB 3.2Å; A281-A285 PolarHBondContact O-N 2.83Å; A281-M296 HydrophobicContact CB-CE 4.25Å
282	E	97.4	Very high	96.7	Very high	56 Å²	56	55.5 Å²	55.5	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-40.8	175	-70.5	174.5	174.3	0	0	111.8	R278 K279 F280 A285 L286 I292 M296	R278-E282 HydrophobicContact CG-CG 4.49Å; R278-E282 IonicContact CZ-OE1 2.74Å; R278-E282 IonicContact NE-OE1 3.64Å; R278-E282 PolarHBondContact NE-OE1 3.34Å; R278-E282 IonicContact NH2-OE1 2.76Å; R278-E282 WeakPolarHBondContact O-CG 3.35Å; R278-E282 PolarHBondContact O-N 2.83Å; K279-E282 PolarHBondContact O-N 2.62Å; F280-E282 VanDerWaalsContact C-N 3.33Å; F280-E282 PolarHBondContact O-N 3.38Å; E282-A285 PolarHBondContact O-N 2.89Å; E282-L286 VanDerWaalsContact O-CG 3.3Å; E282-L286 WeakPolarHBondContact O-CG 3.25Å; E282-L286 PolarHBondContact O-N 3.02Å; E282-I292 HydrophobicContact CB-CG2 3.87Å; E282-I292 HydrophobicContact CG-CB 4.06Å; E282-I292 HydrophobicContact CG-CG2 3.9Å; E282-M296 HydrophobicContact CG-CE 4.5Å; E282-M296 HydrophobicContact CG-SD 3.98Å
283	E	95.7	Very high	96.6	Very high	82 Å²	82	58.6 Å²	58.6	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-47.3	173.8	-71.1	171.5	-170.3	0	0	111.5	K279 F280 L286 Q287	K279-E283 VanDerWaalsContact CE-OE1 3.29Å; K279-E283 WeakPolarHBondContact CE-OE1 3.47Å; K279-E283 WeakPolarHBondContact O-CG 3.35Å; K279-E283 PolarHBondContact O-N 2.84Å; K279-E283 VanDerWaalsContact O-N 3.08Å; F280-E283 PolarHBondContact O-N 3.37Å; E283-L286 PolarHBondContact O-N 3.08Å; E283-Q287 WeakPolarHBondContact O-CG 3.4Å; E283-Q287 PolarHBondContact O-N 3.42Å; E283-Q287 VanDerWaalsContact O-N 3.12Å
284	V	96.8	Very high	96.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-44.1	175.1	170.4	0	0	0	0	111	L195 F280 A281 L286 Q287 V288 L300 L308 A311	L195-V284 HydrophobicContact CD1-CB 4.21Å; L195-V284 HydrophobicContact CD1-CG1 4.47Å; L195-V284 HydrophobicContact CD1-CG2 3.96Å; L195-V284 HydrophobicContact CD2-CB 4.46Å; L195-V284 HydrophobicContact CD2-CG1 3.99Å; F280-V284 HydrophobicContact CD1-CG2 4.1Å; F280-V284 HydrophobicContact CE1-CG2 3.62Å; F280-V284 HydrophobicContact CZ-CG2 4.02Å; F280-V284 WeakPolarHBondContact O-CG2 3.32Å; F280-V284 PolarHBondContact O-N 2.73Å; A281-V284 PolarHBondContact O-N 3.22Å; V284-L286 PolarHBondContact O-N 2.65Å; V284-Q287 PolarHBondContact O-N 3.27Å; V284-V288 WeakPolarHBondContact O-CG2 3.32Å; V284-V288 PolarHBondContact O-N 2.64Å; V284-L300 HydrophobicContact CG1-CD2 4.4Å; V284-L308 HydrophobicContact CG1-CD2 4.42Å; V284-A311 HydrophobicContact CG1-CB 3.96Å
285	A	97.9	Very high	96.5	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-46.2	179.2	0	0	0	0	0	111.9	A281 E282 Q287 V288 N289 C290 I292 M296 L300	A281-A285 VanDerWaalsContact O-CB 3.27Å; A281-A285 WeakPolarHBondContact O-CB 3.2Å; A281-A285 PolarHBondContact O-N 2.83Å; E282-A285 PolarHBondContact O-N 2.89Å; A285-Q287 PolarHBondContact O-N 2.89Å; A285-V288 CarbonylContact O-C 3.17Å; A285-V288 WeakPolarHBondContact O-CG2 3.46Å; A285-V288 PolarHBondContact O-N 3.2Å; A285-N289 PolarHBondContact O-N 3.46Å; A285-N289 VanDerWaalsContact O-N 3.14Å; A285-C290 HydrophobicContact CB-CB 3.95Å; A285-C290 PolarHBondContact O-N 2.93Å; A285-I292 HydrophobicContact CB-CG2 4.27Å; A285-M296 HydrophobicContact CB-CG 3.84Å; A285-M296 HydrophobicContact CB-SD 3.85Å; A285-L300 HydrophobicContact CB-CD1 4.44Å; A285-L300 HydrophobicContact CB-CD2 4.23Å
286	L	97.9	Very high	96.7	Very high	109 Å²	109	62.7 Å²	62.7	57%	0.571	32%	0.315	S	S	*	.	H	α-helix	trans	-62.2	-41.6	177.2	-69	172.3	0	0	0	111.8	E282 E283 V284 V288 N289 I292	E282-L286 VanDerWaalsContact O-CG 3.3Å; E282-L286 WeakPolarHBondContact O-CG 3.25Å; E282-L286 PolarHBondContact O-N 3.02Å; E283-L286 PolarHBondContact O-N 3.08Å; V284-L286 PolarHBondContact O-N 2.65Å; L286-V288 PolarHBondContact O-N 3.02Å; L286-N289 PolarHBondContact O-N 3.04Å; L286-I292 HydrophobicContact CD2-CG2 4.13Å; L286-I292 HydrophobicContact CG-CG2 4.07Å
287	Q	97	Very high	96.8	Very high	110 Å²	110	58.8 Å²	58.8	51%	0.514	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-29.2	178	-72.8	-177.1	29.5	0	0	113.5	E283 V284 A285 A311	E283-Q287 WeakPolarHBondContact O-CG 3.4Å; E283-Q287 PolarHBondContact O-N 3.42Å; E283-Q287 VanDerWaalsContact O-N 3.12Å; V284-Q287 PolarHBondContact O-N 3.27Å; A285-Q287 PolarHBondContact O-N 2.89Å; Q287-A311 HydrophobicContact CB-CB 4.05Å; Q287-A311 VanDerWaalsContact OE1-CA 3.26Å; Q287-A311 PolarHBondContact OE1-O 2.88Å
288	V	97.8	Very high	96.9	Very high	21 Å²	21	62.2 Å²	62.2	13%	0.127	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	15.1	178.6	-55	0	0	0	0	113.7	V284 A285 L286 C290 L300 T303 A307 L308 A311	V284-V288 WeakPolarHBondContact O-CG2 3.32Å; V284-V288 PolarHBondContact O-N 2.64Å; A285-V288 CarbonylContact O-C 3.17Å; A285-V288 WeakPolarHBondContact O-CG2 3.46Å; A285-V288 PolarHBondContact O-N 3.2Å; L286-V288 PolarHBondContact O-N 3.02Å; V288-C290 VanDerWaalsContact C-N 3.31Å; V288-C290 HydrophobicContact CG2-CB 4.27Å; V288-C290 PolarHBondContact O-N 3.48Å; V288-L300 HydrophobicContact CG2-CD2 3.8Å; V288-T303 HydrophobicContact CB-CG2 3.73Å; V288-T303 HydrophobicContact CG1-CG2 4.15Å; V288-T303 HydrophobicContact CG2-CG2 3.89Å; V288-A307 HydrophobicContact CG1-CB 4.42Å; V288-L308 HydrophobicContact CG1-CD2 4.41Å; V288-L308 HydrophobicContact CG2-CD2 4.17Å; V288-A311 HydrophobicContact CG1-CB 3.71Å
289	N	97.9	Very high	97	Very high	152 Å²	152	60.5 Å²	60.5	81%	0.813	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	32.7	179.3	-53.4	-64.1	0	0	0	114.7	A285 L286	A285-N289 PolarHBondContact O-N 3.46Å; A285-N289 VanDerWaalsContact O-N 3.14Å; L286-N289 PolarHBondContact O-N 3.04Å
290	C	98.4	Very high	97.1	Very high	6 Å²	6	54.9 Å²	54.9	4%	0.041	29%	0.291	C	S	.	.			trans	-90.7	147.5	170	-77.4	0	0	0	0	111.9	A285 V288 C299 L300 T303	A285-C290 HydrophobicContact CB-CB 3.95Å; A285-C290 PolarHBondContact O-N 2.93Å; V288-C290 VanDerWaalsContact C-N 3.31Å; V288-C290 HydrophobicContact CG2-CB 4.27Å; V288-C290 PolarHBondContact O-N 3.48Å; C290-C299 WeakPolarHBondContact CA-SG 3.42Å; C290-C299 HydrophobicContact CB-CB 3.71Å; C290-C299 WeakPolarHBondContact CB-SG 3.3Å; C290-C299 WeakPolarHBondContact SG-CB 3.42Å; C290-C299 CovalentContact SG-SG 2.04Å; C290-C299 PolarHBondContact SG-SG 3.08Å; C290-L300 HydrophobicContact CB-CD2 4.35Å; C290-L300 HydrophobicContact CB-CG 4.48Å; C290-T303 PolarHBondContact SG-OG1 3.48Å; C290-T303 VanDerWaalsContact SG-OG1 3.42Å
291	P	97.8	Very high	97.2	Very high	42 Å²	42	57.9 Å²	57.9	27%	0.273	30%	0.301	S	S	.	.			trans	-68	155.2	171.6	31.2	-34.9	0	0	0	110.6	R295 M296	P291-R295 HydrophobicContact CG-CB 3.84Å; P291-M296 WeakPolarHBondContact O-CA 3.34Å; P291-M296 WeakPolarHBondContact O-CB 3.43Å; P291-M296 VanDerWaalsContact O-CG 3.29Å; P291-M296 WeakPolarHBondContact O-CG 3.24Å
292	I	97.4	Very high	97.2	Very high	76 Å²	76	64.8 Å²	64.8	39%	0.39	34%	0.335	S	S	.	.	S	Bend	trans	-99.8	9.4	176.3	58.3	165.8	0	0	0	113.3	R278 E282 A285 L286 M296	R278-I292 PolarHBondContact NH2-O 2.79Å; E282-I292 HydrophobicContact CB-CG2 3.87Å; E282-I292 HydrophobicContact CG-CB 4.06Å; E282-I292 HydrophobicContact CG-CG2 3.9Å; A285-I292 HydrophobicContact CB-CG2 4.27Å; L286-I292 HydrophobicContact CD2-CG2 4.13Å; L286-I292 HydrophobicContact CG-CG2 4.07Å; I292-M296 HydrophobicContact CG2-SD 4.41Å
293	D	95.6	Very high	97.2	Very high	65 Å²	65	63.1 Å²	63.1	35%	0.348	33%	0.329	S	S	.	.	S	Bend	trans	-87.8	-163.7	174.8	65.3	34.3	0	0	0	112.1	R295 M296	D293-R295 PolarHBondContact O-N 2.94Å; D293-R295 VanDerWaalsContact OD1-CB 3.23Å; D293-R295 WeakPolarHBondContact OD1-CB 3.29Å; D293-R295 WeakPolarHBondContact OD1-CG 3.26Å; D293-R295 IonicContact OD1-CZ 2.74Å; D293-R295 PolarHBondContact OD1-N 3.49Å; D293-R295 IonicContact OD1-NE 3.44Å; D293-R295 PolarHBondContact OD1-NE 2.66Å; D293-R295 IonicContact OD1-NH2 2.78Å; D293-R295 IonicContact OD2-CZ 2.87Å; D293-R295 IonicContact OD2-NE 3.32Å; D293-R295 PolarHBondContact OD2-NE 3.34Å; D293-R295 IonicContact OD2-NH2 3.33Å; D293-R295 PolarHBondContact OD2-NH2 3.34Å; D293-M296 VanDerWaalsContact O-CB 3.27Å; D293-M296 WeakPolarHBondContact O-CB 3.35Å; D293-M296 PolarHBondContact O-N 3.23Å
294	S	94.6	Very high	97.3	Very high	116 Å²	116	63.5 Å²	63.5	81%	0.811	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-11.8	-179.7	63	0	0	0	0	114.8
295	R	96.9	Very high	97.2	Very high	151 Å²	151	64.8 Å²	64.8	57%	0.57	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.2	177.8	-57.7	170.6	-69.2	172.7	-2.3	113.2	P291 D293 A297 T298 C299	P291-R295 HydrophobicContact CG-CB 3.84Å; D293-R295 PolarHBondContact O-N 2.94Å; D293-R295 VanDerWaalsContact OD1-CB 3.23Å; D293-R295 WeakPolarHBondContact OD1-CB 3.29Å; D293-R295 WeakPolarHBondContact OD1-CG 3.26Å; D293-R295 IonicContact OD1-CZ 2.74Å; D293-R295 PolarHBondContact OD1-N 3.49Å; D293-R295 IonicContact OD1-NE 3.44Å; D293-R295 PolarHBondContact OD1-NE 2.66Å; D293-R295 IonicContact OD1-NH2 2.78Å; D293-R295 IonicContact OD2-CZ 2.87Å; D293-R295 IonicContact OD2-NE 3.32Å; D293-R295 PolarHBondContact OD2-NE 3.34Å; D293-R295 IonicContact OD2-NH2 3.33Å; D293-R295 PolarHBondContact OD2-NH2 3.34Å; R295-A297 PolarHBondContact O-N 3.49Å; R295-T298 PolarHBondContact O-N 2.8Å; R295-C299 PolarHBondContact O-N 2.9Å
296	M	97.9	Very high	97.2	Very high	3 Å²	3	68.8 Å²	68.8	2%	0.015	36%	0.359	C	S	.	.	H	α-helix	trans	-51.5	-53.3	-176.7	-174.5	173	68.7	0	0	112	A197 A281 E282 A285 P291 I292 D293 T298 C299 L300	A197-M296 HydrophobicContact CB-CE 4.02Å; A281-M296 HydrophobicContact CB-CE 4.25Å; E282-M296 HydrophobicContact CG-CE 4.5Å; E282-M296 HydrophobicContact CG-SD 3.98Å; A285-M296 HydrophobicContact CB-CG 3.84Å; A285-M296 HydrophobicContact CB-SD 3.85Å; P291-M296 WeakPolarHBondContact O-CA 3.34Å; P291-M296 WeakPolarHBondContact O-CB 3.43Å; P291-M296 VanDerWaalsContact O-CG 3.29Å; P291-M296 WeakPolarHBondContact O-CG 3.24Å; I292-M296 HydrophobicContact CG2-SD 4.41Å; D293-M296 VanDerWaalsContact O-CB 3.27Å; D293-M296 WeakPolarHBondContact O-CB 3.35Å; D293-M296 PolarHBondContact O-N 3.23Å; M296-T298 PolarHBondContact O-N 2.78Å; M296-C299 PolarHBondContact O-N 2.98Å; M296-L300 HydrophobicContact CG-CD1 3.76Å; M296-L300 HydrophobicContact CG-CG 4.32Å; M296-L300 WeakPolarHBondContact O-CB 3.39Å; M296-L300 VanDerWaalsContact O-CG 3.31Å; M296-L300 WeakPolarHBondContact O-CG 3.27Å; M296-L300 PolarHBondContact O-N 2.96Å
297	A	96.9	Very high	97.1	Very high	6 Å²	6	65.3 Å²	65.3	5%	0.05	35%	0.346	C	S	.	.	H	α-helix	trans	-58.3	-48.2	-179	0	0	0	0	0	112.6	M202 R295 C299 L300 R301	M202-A297 HydrophobicContact CG-CB 3.62Å; M202-A297 HydrophobicContact SD-CB 4.02Å; R295-A297 PolarHBondContact O-N 3.49Å; A297-C299 VanDerWaalsContact C-N 3.34Å; A297-C299 PolarHBondContact O-N 3.31Å; A297-L300 PolarHBondContact O-N 2.87Å; A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 VanDerWaalsContact O-CG 3.27Å; A297-R301 WeakPolarHBondContact O-CG 3.12Å; A297-R301 PolarHBondContact O-N 2.77Å
298	T	97.3	Very high	97.1	Very high	91 Å²	91	60.1 Å²	60.1	56%	0.558	32%	0.322	S	S	*	.	H	α-helix	trans	-63.2	-40.4	178.7	-57	0	0	0	0	111.7	R295 M296 R301 M302	R295-T298 PolarHBondContact O-N 2.8Å; M296-T298 PolarHBondContact O-N 2.78Å; T298-R301 PolarHBondContact O-N 2.9Å; T298-M302 WeakPolarHBondContact O-CG 3.42Å; T298-M302 PolarHBondContact O-N 2.97Å
299	C	98.3	Very high	97.1	Very high	38 Å²	38	59.3 Å²	59.3	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-51.3	176	-178.2	0	0	0	0	111.3	C290 R295 M296 A297 R301 M302 T303	C290-C299 WeakPolarHBondContact CA-SG 3.42Å; C290-C299 HydrophobicContact CB-CB 3.71Å; C290-C299 WeakPolarHBondContact CB-SG 3.3Å; C290-C299 WeakPolarHBondContact SG-CB 3.42Å; C290-C299 CovalentContact SG-SG 2.04Å; C290-C299 PolarHBondContact SG-SG 3.08Å; R295-C299 PolarHBondContact O-N 2.9Å; M296-C299 PolarHBondContact O-N 2.98Å; A297-C299 VanDerWaalsContact C-N 3.34Å; A297-C299 PolarHBondContact O-N 3.31Å; C299-R301 VanDerWaalsContact C-N 3.27Å; C299-R301 PolarHBondContact O-N 3.19Å; C299-M302 WeakPolarHBondContact O-CA 3.43Å; C299-M302 PolarHBondContact O-N 2.85Å; C299-T303 PolarHBondContact O-N 3.12Å; C299-T303 PolarHBondContact O-OG1 3.47Å
300	L	98	Very high	97	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-58.8	-37.7	179	-70.5	172.6	0	0	0	111.9	R86 F87 L195 M202 V284 A285 V288 C290 M296 A297 M302 T303 L308	R86-L300 PolarHBondContact NH1-O 3.45Å; F87-L300 HydrophobicContact CE2-CB 3.78Å; L195-L300 HydrophobicContact CD2-CD1 4.1Å; M202-L300 HydrophobicContact CE-CD1 3.61Å; M202-L300 HydrophobicContact SD-CB 4.34Å; M202-L300 HydrophobicContact SD-CD1 3.99Å; V284-L300 HydrophobicContact CG1-CD2 4.4Å; A285-L300 HydrophobicContact CB-CD1 4.44Å; A285-L300 HydrophobicContact CB-CD2 4.23Å; V288-L300 HydrophobicContact CG2-CD2 3.8Å; C290-L300 HydrophobicContact CB-CD2 4.35Å; C290-L300 HydrophobicContact CB-CG 4.48Å; M296-L300 HydrophobicContact CG-CD1 3.76Å; M296-L300 HydrophobicContact CG-CG 4.32Å; M296-L300 WeakPolarHBondContact O-CB 3.39Å; M296-L300 VanDerWaalsContact O-CG 3.31Å; M296-L300 WeakPolarHBondContact O-CG 3.27Å; M296-L300 PolarHBondContact O-N 2.96Å; A297-L300 PolarHBondContact O-N 2.87Å; L300-M302 PolarHBondContact O-N 3.46Å; L300-T303 PolarHBondContact O-N 3.36Å; L300-L308 HydrophobicContact CD2-CD2 3.61Å; L300-L308 VanDerWaalsContact O-CD1 3.31Å; L300-L308 WeakPolarHBondContact O-CD1 3.37Å
301	R	97	Very high	96.9	Very high	91 Å²	91	54.4 Å²	54.4	34%	0.343	29%	0.291	S	S	.	.	H	α-helix	trans	-65.3	-17.3	174.4	-74.4	177.2	-172.5	170.1	0.6	114.3	R86 F87 T201 A297 T298 C299	R86-R301 VanDerWaalsContact CZ-C 3.44Å; R86-R301 PolarHBondContact NE-O 3.36Å; R86-R301 PolarHBondContact NH1-O 2.71Å; R86-R301 PolarHBondContact NH2-O 3.34Å; F87-R301 HydrophobicContact CB-CG 4.47Å; F87-R301 HydrophobicContact CD2-CG 3.74Å; T201-R301 PolarHBondContact O-NH2 2.72Å; A297-R301 WeakPolarHBondContact O-CB 3.49Å; A297-R301 VanDerWaalsContact O-CG 3.27Å; A297-R301 WeakPolarHBondContact O-CG 3.12Å; A297-R301 PolarHBondContact O-N 2.77Å; T298-R301 PolarHBondContact O-N 2.9Å; C299-R301 VanDerWaalsContact C-N 3.27Å; C299-R301 PolarHBondContact O-N 3.19Å
302	M	96.8	Very high	96.6	Very high	146 Å²	146	52.4 Å²	52.4	72%	0.719	28%	0.278	S	S	*	.	H	α-helix	trans	-105.8	-19.6	-179.8	-64.9	-58.7	-61.9	0	0	113.1	R86 T298 C299 L300	R86-M302 VanDerWaalsContact NH2-C 3.26Å; R86-M302 PolarHBondContact NH2-O 3.03Å; R86-M302 VanDerWaalsContact NH2-O 3.16Å; T298-M302 WeakPolarHBondContact O-CG 3.42Å; T298-M302 PolarHBondContact O-N 2.97Å; C299-M302 WeakPolarHBondContact O-CA 3.43Å; C299-M302 PolarHBondContact O-N 2.85Å; L300-M302 PolarHBondContact O-N 3.46Å
303	T	98	Very high	96.2	Very high	21 Å²	21	53.6 Å²	53.6	13%	0.129	28%	0.281	C	S	.	.	S	Bend	trans	-54.4	153.3	179.2	-56.5	0	0	0	0	113.2	R86 V288 C290 C299 L300 A307 L308	R86-T303 PolarHBondContact NH1-O 2.89Å; R86-T303 PolarHBondContact NH2-O 3.21Å; V288-T303 HydrophobicContact CB-CG2 3.73Å; V288-T303 HydrophobicContact CG1-CG2 4.15Å; V288-T303 HydrophobicContact CG2-CG2 3.89Å; C290-T303 PolarHBondContact SG-OG1 3.48Å; C290-T303 VanDerWaalsContact SG-OG1 3.42Å; C299-T303 PolarHBondContact O-N 3.12Å; C299-T303 PolarHBondContact O-OG1 3.47Å; L300-T303 PolarHBondContact O-N 3.36Å; T303-A307 HydrophobicContact CG2-CB 4.36Å; T303-L308 HydrophobicContact CG2-CD1 4.42Å; T303-L308 HydrophobicContact CG2-CD2 3.89Å; T303-L308 HydrophobicContact CG2-CG 3.71Å
304	D	97	Very high	95.7	Very high	90 Å²	90	51.4 Å²	51.4	48%	0.481	27%	0.269	S	S	.	.			trans	-57.6	129.4	171.9	171.9	70.6	0	0	0	111.7	K306 A307 L308	D304-K306 VanDerWaalsContact C-N 3.26Å; D304-K306 PolarHBondContact O-N 2.84Å; D304-K306 WeakPolarHBondContact OD2-CA 3.23Å; D304-K306 VanDerWaalsContact OD2-CB 3.23Å; D304-K306 WeakPolarHBondContact OD2-CB 3.4Å; D304-K306 PolarHBondContact OD2-N 2.61Å; D304-A307 HydrophobicContact CB-CB 4.08Å; D304-A307 PolarHBondContact O-N 3.16Å; D304-A307 PolarHBondContact OD2-N 3.08Å; D304-L308 PolarHBondContact O-N 3.08Å
305	P	95.7	Very high	95.1	Very high	26 Å²	26	51.7 Å²	51.7	17%	0.169	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-27.9	-175.7	26.5	-36.4	0	0	0	112.9	L110 E123 L192 T309	L110-P305 HydrophobicContact CD2-CB 3.74Å; L110-P305 HydrophobicContact CD2-CG 4.33Å; E123-P305 HydrophobicContact CG-CB 4.44Å; L192-P305 HydrophobicContact CD1-CB 4.48Å; P305-T309 WeakPolarHBondContact O-CB 3.45Å; P305-T309 PolarHBondContact O-N 2.91Å; P305-T309 PolarHBondContact O-OG1 3.48Å
306	K	96.7	Very high	94.3	Very high	85 Å²	85	49.1 Å²	49.1	37%	0.37	25%	0.254	S	S	.	.	H	α-helix	trans	-68.5	-45.5	173.3	164.7	168.6	-168.8	166.4	0	110.8	D118 V119 D304 L308 T309 L310	D118-K306 WeakPolarHBondContact OD1-CE 3.34Å; D118-K306 IonicContact OD1-NZ 2.94Å; D118-K306 PolarHBondContact OD1-NZ 2.94Å; V119-K306 HydrophobicContact CB-CG 4.47Å; V119-K306 HydrophobicContact CG1-CG 4.17Å; V119-K306 HydrophobicContact CG2-CB 3.71Å; V119-K306 HydrophobicContact CG2-CD 3.61Å; V119-K306 HydrophobicContact CG2-CG 3.44Å; V119-K306 VanDerWaalsContact CG2-CG 3.44Å; D304-K306 VanDerWaalsContact C-N 3.26Å; D304-K306 PolarHBondContact O-N 2.84Å; D304-K306 WeakPolarHBondContact OD2-CA 3.23Å; D304-K306 VanDerWaalsContact OD2-CB 3.23Å; D304-K306 WeakPolarHBondContact OD2-CB 3.4Å; D304-K306 PolarHBondContact OD2-N 2.61Å; K306-L308 PolarHBondContact O-N 2.8Å; K306-T309 PolarHBondContact O-N 2.68Å; K306-L310 HydrophobicContact CG-CD1 3.98Å; K306-L310 WeakPolarHBondContact O-CG 3.17Å; K306-L310 PolarHBondContact O-N 2.87Å
307	A	97.3	Very high	93.6	Very high	36 Å²	36	52.7 Å²	52.7	30%	0.298	28%	0.279	S	S	.	.	H	α-helix	trans	-59.2	-44.4	174.4	0	0	0	0	0	112.2	V288 T303 D304 T309 L310 A311	V288-A307 HydrophobicContact CG1-CB 4.42Å; T303-A307 HydrophobicContact CG2-CB 4.36Å; D304-A307 HydrophobicContact CB-CB 4.08Å; D304-A307 PolarHBondContact O-N 3.16Å; D304-A307 PolarHBondContact OD2-N 3.08Å; A307-T309 PolarHBondContact O-N 2.97Å; A307-L310 PolarHBondContact O-N 2.92Å; A307-A311 WeakPolarHBondContact O-CB 3.25Å; A307-A311 PolarHBondContact O-N 3.35Å
308	L	96.4	Very high	93.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-41.7	175.6	-73.7	170.4	0	0	0	113.1	F87 S191 L192 V284 V288 L300 T303 D304 K306 A311 G312	F87-L308 HydrophobicContact CE2-CD1 4.37Å; F87-L308 HydrophobicContact CZ-CD1 4.13Å; S191-L308 WeakPolarHBondContact CB-O 3.48Å; S191-L308 PolarHBondContact OG-O 3.15Å; L192-L308 HydrophobicContact CD2-CD1 4.25Å; V284-L308 HydrophobicContact CG1-CD2 4.42Å; V288-L308 HydrophobicContact CG1-CD2 4.41Å; V288-L308 HydrophobicContact CG2-CD2 4.17Å; L300-L308 HydrophobicContact CD2-CD2 3.61Å; L300-L308 VanDerWaalsContact O-CD1 3.31Å; L300-L308 WeakPolarHBondContact O-CD1 3.37Å; T303-L308 HydrophobicContact CG2-CD1 4.42Å; T303-L308 HydrophobicContact CG2-CD2 3.89Å; T303-L308 HydrophobicContact CG2-CG 3.71Å; D304-L308 PolarHBondContact O-N 3.08Å; K306-L308 PolarHBondContact O-N 2.8Å; L308-A311 PolarHBondContact O-N 3.44Å; L308-G312 PolarHBondContact O-N 3.49Å
309	T	96.9	Very high	93.2	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-67	-43.2	179.7	-58.2	0	0	0	0	110.4	L112 V119 P305 K306 A307 A311 G312	L112-T309 HydrophobicContact CD2-CG2 4.27Å; L112-T309 WeakPolarHBondContact CD2-O 3.19Å; L112-T309 HydrophobicContact CG-CG2 4.19Å; V119-T309 HydrophobicContact CB-CG2 4.33Å; V119-T309 HydrophobicContact CG1-CG2 3.68Å; P305-T309 WeakPolarHBondContact O-CB 3.45Å; P305-T309 PolarHBondContact O-N 2.91Å; P305-T309 PolarHBondContact O-OG1 3.48Å; K306-T309 PolarHBondContact O-N 2.68Å; A307-T309 PolarHBondContact O-N 2.97Å; T309-A311 PolarHBondContact O-N 3.11Å; T309-G312 PolarHBondContact O-N 3.26Å
310	L	96.5	Very high	93.1	Very high	49 Å²	49	49.1 Å²	49.1	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-35.4	175.8	-73.1	169.5	0	0	0	113.2	L112 V119 K306 A307 G312 K313	L112-L310 HydrophobicContact CD2-CD2 3.93Å; V119-L310 HydrophobicContact CG1-CD1 4.43Å; V119-L310 HydrophobicContact CG1-CD2 3.88Å; V119-L310 HydrophobicContact CG1-CG 3.68Å; K306-L310 HydrophobicContact CG-CD1 3.98Å; K306-L310 WeakPolarHBondContact O-CG 3.17Å; K306-L310 PolarHBondContact O-N 2.87Å; A307-L310 PolarHBondContact O-N 2.92Å; L310-G312 PolarHBondContact O-N 2.74Å; L310-K313 WeakPolarHBondContact O-CB 3.34Å; L310-K313 WeakPolarHBondContact O-CG 3.39Å; L310-K313 PolarHBondContact O-N 3.44Å
311	A	95.3	Very high	92.9	Very high	6 Å²	6	52.7 Å²	52.7	5%	0.05	28%	0.281	C	S	.	.	H	α-helix	trans	-66.4	-22.3	176.6	0	0	0	0	0	113	V284 Q287 V288 A307 L308 T309 K313	V284-A311 HydrophobicContact CG1-CB 3.96Å; Q287-A311 HydrophobicContact CB-CB 4.05Å; Q287-A311 VanDerWaalsContact OE1-CA 3.26Å; Q287-A311 PolarHBondContact OE1-O 2.88Å; V288-A311 HydrophobicContact CG1-CB 3.71Å; A307-A311 WeakPolarHBondContact O-CB 3.25Å; A307-A311 PolarHBondContact O-N 3.35Å; L308-A311 PolarHBondContact O-N 3.44Å; T309-A311 PolarHBondContact O-N 3.11Å; A311-K313 VanDerWaalsContact C-N 3.31Å; A311-K313 PolarHBondContact O-N 2.96Å
312	G	91.6	Very high	92.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.01	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	11.2	175.6	0	0	0	0	0	115.2	S191 L308 T309 L310 L330	S191-G312 WeakPolarHBondContact OG-CA 3.48Å; L308-G312 PolarHBondContact O-N 3.49Å; T309-G312 PolarHBondContact O-N 3.26Å; L310-G312 PolarHBondContact O-N 2.74Å; G312-L330 VanDerWaalsContact O-CD1 3.28Å; G312-L330 WeakPolarHBondContact O-CD1 3.22Å
313	K	89.2	Confident	92.7	Very high	100 Å²	100	46.6 Å²	46.6	44%	0.435	26%	0.258	S	S	.	.			trans	-64.4	145.3	179.6	70.5	-176.9	-176.7	177.6	0	111.8	L112 M116 L310 A311	L112-K313 HydrophobicContact CD1-CB 4Å; L112-K313 HydrophobicContact CD2-CB 4.43Å; M116-K313 HydrophobicContact CB-CB 4.42Å; L310-K313 WeakPolarHBondContact O-CB 3.34Å; L310-K313 WeakPolarHBondContact O-CG 3.39Å; L310-K313 PolarHBondContact O-N 3.44Å; A311-K313 VanDerWaalsContact C-N 3.31Å; A311-K313 PolarHBondContact O-N 2.96Å
314	I	85.3	Confident	92.5	Very high	20 Å²	20	46 Å²	46	10%	0.103	25%	0.254	C	S	.	.			trans	-93.8	149	170.8	60.9	170.3	0	0	0	110.3	M116 L154 L316 N327 L328	M116-I314 HydrophobicContact CE-CD1 3.94Å; M116-I314 HydrophobicContact CE-CG1 3.55Å; M116-I314 HydrophobicContact SD-CG1 3.68Å; L154-I314 HydrophobicContact CD1-CB 4.48Å; L154-I314 HydrophobicContact CD1-CD1 3.74Å; L154-I314 HydrophobicContact CD1-CG1 3.99Å; L154-I314 HydrophobicContact CD1-CG2 3.69Å; I314-L316 HydrophobicContact CD1-CD2 3.77Å; I314-L316 HydrophobicContact CG1-CD2 4.06Å; I314-L316 HydrophobicContact CG1-CG 4.49Å; I314-L316 PolarHBondContact O-N 3.04Å; I314-N327 WeakPolarHBondContact CG2-O 3.26Å; I314-L328 HydrophobicContact CD1-CD2 3.89Å
315	H	82.4	Confident	92.2	Very high	121 Å²	121	42.2 Å²	42.2	56%	0.56	23%	0.234	S	C	*	.			trans	-79.4	108.5	168.9	-64.9	93.7	0	0	0	108	S317 N327	H315-S317 PolarHBondContact O-N 2.89Å; H315-N327 PolarHBondContact O-ND2 3.02Å
316	L	80.5	Confident	91.8	Very high	97 Å²	97	44.6 Å²	44.6	51%	0.508	25%	0.246	S	C	.	.			trans	-74.3	49.4	175.3	-66.4	176.1	0	0	0	111.6	M116 I314	M116-L316 HydrophobicContact CE-CD1 3.89Å; M116-L316 HydrophobicContact CE-CD2 3.86Å; M116-L316 HydrophobicContact CE-CG 3.96Å; M116-L316 HydrophobicContact SD-CD1 3.95Å; M116-L316 HydrophobicContact SD-CD2 4.43Å; M116-L316 HydrophobicContact SD-CG 3.94Å; I314-L316 HydrophobicContact CD1-CD2 3.77Å; I314-L316 HydrophobicContact CG1-CD2 4.06Å; I314-L316 HydrophobicContact CG1-CG 4.49Å; I314-L316 PolarHBondContact O-N 3.04Å
317	S	83.4	Confident	91.3	Very high	78 Å²	78	43.5 Å²	43.5	55%	0.545	24%	0.244	S	C	.	.			trans	-131.5	127.3	175.5	57.1	0	0	0	0	107.7	H315	H315-S317 PolarHBondContact O-N 2.89Å
318	G	89.9	Confident	90.9	Very high	24 Å²	24	42.7 Å²	42.7	25%	0.247	24%	0.235	C	C	.	.			trans	-128.1	166.6	-178.6	0	0	0	0	0	111.6	D371	G318-D371 WeakPolarHBondContact CA-OD1 3.43Å
319	S	95.3	Very high	90.5	Very high	31 Å²	31	43.9 Å²	43.9	22%	0.217	24%	0.244	C	C	.	.			trans	-157.7	162.3	171.3	62.9	0	0	0	0	109.1	D321 N322 P323 D371	S319-D321 PolarHBondContact O-N 3.26Å; S319-D321 VanDerWaalsContact O-N 3.16Å; S319-N322 PolarHBondContact N-O 3.05Å; S319-N322 CarbonylContact O-C 3.53Å; S319-N322 PolarHBondContact O-N 3.39Å; S319-N322 VanDerWaalsContact O-N 3.09Å; S319-N322 PolarHBondContact OG-N 3.13Å; S319-N322 VanDerWaalsContact OG-N 3.08Å; S319-P323 WeakPolarHBondContact O-CA 3.46Å; S319-D371 VanDerWaalsContact CA-O 3.31Å; S319-D371 WeakPolarHBondContact CA-O 3.23Å; S319-D371 PolarHBondContact N-OD1 3.04Å
320	P	95.2	Very high	90.3	Very high	6 Å²	6	43.9 Å²	43.9	4%	0.039	24%	0.244	C	C	.	.	S	Bend	trans	-53.9	-35.6	172.5	-25.6	33.7	0	0	0	113.7	D371 V372 D386 R389 L390 S393	P320-D371 VanDerWaalsContact CD-O 3.27Å; P320-D371 WeakPolarHBondContact CD-O 3.34Å; P320-V372 HydrophobicContact CG-CG2 3.87Å; P320-D386 HydrophobicContact CG-CB 3.89Å; P320-R389 HydrophobicContact CB-CB 3.56Å; P320-L390 HydrophobicContact CB-CB 4.23Å; P320-L390 WeakPolarHBondContact O-CA 3.45Å; P320-S393 WeakPolarHBondContact O-CB 3.44Å
321	D	95.5	Very high	90.2	Very high	74 Å²	74	41.7 Å²	41.7	40%	0.396	23%	0.233	S	C	.	.	S	Bend	trans	-76.2	-33.3	180	-59.5	-39.9	0	0	0	112.4	S319 R389 S393	S319-D321 PolarHBondContact O-N 3.26Å; S319-D321 VanDerWaalsContact O-N 3.16Å; D321-R389 VanDerWaalsContact CG-NH2 3.26Å; D321-R389 WeakPolarHBondContact OD1-CB 3.37Å; D321-R389 WeakPolarHBondContact OD1-CG 3.43Å; D321-R389 IonicContact OD1-CZ 3.38Å; D321-R389 IonicContact OD1-NE 3.68Å; D321-R389 PolarHBondContact OD1-NE 2.7Å; D321-R389 IonicContact OD1-NH2 2.9Å; D321-R389 IonicContact OD2-CZ 2.67Å; D321-R389 IonicContact OD2-NE 3.22Å; D321-R389 PolarHBondContact OD2-NE 3.21Å; D321-R389 IonicContact OD2-NH2 2.83Å; D321-R389 PolarHBondContact OD2-NH2 3.42Å; D321-S393 WeakPolarHBondContact O-CB 3.38Å; D321-S393 PolarHBondContact O-OG 3.03Å
322	N	94.3	Very high	90.4	Very high	110 Å²	110	41.4 Å²	41.4	59%	0.588	23%	0.23	S	C	*	.	S	Bend	trans	-130.7	75.6	-179.4	-59.2	-83.3	0	0	0	110	S319	S319-N322 PolarHBondContact N-O 3.05Å; S319-N322 CarbonylContact O-C 3.53Å; S319-N322 PolarHBondContact O-N 3.39Å; S319-N322 VanDerWaalsContact O-N 3.09Å; S319-N322 PolarHBondContact OG-N 3.13Å; S319-N322 VanDerWaalsContact OG-N 3.08Å
323	P	94.2	Very high	90.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.231	C	C	.	.			trans	-60.4	146.7	-179.1	-29.4	38.9	0	0	0	112.4	S319 V325 N326 D371 L390 S393 F394	S319-P323 WeakPolarHBondContact O-CA 3.46Å; P323-V325 HydrophobicContact CB-CG1 4.16Å; P323-V325 PolarHBondContact O-N 2.61Å; P323-V325 VanDerWaalsContact O-N 3.1Å; P323-N326 WeakPolarHBondContact O-CB 3.39Å; P323-N326 PolarHBondContact O-N 2.86Å; P323-D371 WeakPolarHBondContact CA-OD1 3.27Å; P323-D371 WeakPolarHBondContact CA-OD2 3.33Å; P323-D371 VanDerWaalsContact CB-OD2 3.29Å; P323-D371 WeakPolarHBondContact CB-OD2 3.44Å; P323-L390 HydrophobicContact CB-CD1 4.4Å; P323-L390 HydrophobicContact CG-CD1 3.64Å; P323-S393 WeakPolarHBondContact CD-OG 3.25Å; P323-F394 HydrophobicContact CB-CE1 3.74Å; P323-F394 HydrophobicContact CB-CZ 3.97Å; P323-F394 HydrophobicContact CG-CD1 4.35Å; P323-F394 HydrophobicContact CG-CE1 3.61Å; P323-F394 HydrophobicContact CG-CZ 3.96Å
324	L	92.9	Very high	91.2	Very high	7 Å²	7	40 Å²	40	4%	0.037	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-54.2	-34.5	-175.9	177.2	66.5	0	0	0	112.6	N326 N327 F367 I370 D371	L324-N326 PolarHBondContact O-N 3.03Å; L324-N326 VanDerWaalsContact O-N 3.09Å; L324-N327 WeakPolarHBondContact O-CB 3.45Å; L324-N327 PolarHBondContact O-N 2.9Å; L324-F367 HydrophobicContact CD2-CD1 4.34Å; L324-I370 HydrophobicContact CB-CG2 4.42Å; L324-I370 HydrophobicContact CD2-CB 4.39Å; L324-I370 HydrophobicContact CD2-CD1 3.5Å; L324-I370 HydrophobicContact CD2-CG2 4.17Å; L324-D371 PolarHBondContact N-OD1 2.82Å; L324-D371 PolarHBondContact N-OD2 3.29Å; L324-D371 VanDerWaalsContact N-OD2 3.16Å
325	V	91.4	Very high	91.8	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.073	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-52.8	-32.8	179.5	71.7	0	0	0	0	112.5	W271 P323 N327 L328 F394 L435	W271-V325 HydrophobicContact CB-CG2 3.69Å; W271-V325 HydrophobicContact CG-CG2 4.27Å; P323-V325 HydrophobicContact CB-CG1 4.16Å; P323-V325 PolarHBondContact O-N 2.61Å; P323-V325 VanDerWaalsContact O-N 3.1Å; V325-N327 PolarHBondContact O-N 3.32Å; V325-N327 VanDerWaalsContact O-N 3.16Å; V325-L328 HydrophobicContact CG2-CD1 4.41Å; V325-L328 WeakPolarHBondContact O-CB 3.38Å; V325-L328 PolarHBondContact O-N 3.29Å; V325-L328 VanDerWaalsContact O-N 3.12Å; V325-F394 HydrophobicContact CG1-CE1 3.97Å; V325-L435 HydrophobicContact CB-CD2 3.71Å; V325-L435 HydrophobicContact CG1-CD2 4.02Å; V325-L435 HydrophobicContact CG2-CD2 3.37Å
326	N	88.1	Confident	92.5	Very high	75 Å²	75	37.7 Å²	37.7	40%	0.401	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-66.4	-17.4	179.7	-66.2	-27.7	0	0	0	113	P323 L324	P323-N326 WeakPolarHBondContact O-CB 3.39Å; P323-N326 PolarHBondContact O-N 2.86Å; L324-N326 PolarHBondContact O-N 3.03Å; L324-N326 VanDerWaalsContact O-N 3.09Å
327	N	86.1	Confident	93.3	Very high	62 Å²	62	36 Å²	36	33%	0.332	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-92.9	-4.3	178.5	-62	-21.6	0	0	0	113	I314 H315 L324 V325 A329	I314-N327 WeakPolarHBondContact CG2-O 3.26Å; H315-N327 PolarHBondContact O-ND2 3.02Å; L324-N327 WeakPolarHBondContact O-CB 3.45Å; L324-N327 PolarHBondContact O-N 2.9Å; V325-N327 PolarHBondContact O-N 3.32Å; V325-N327 VanDerWaalsContact O-N 3.16Å; N327-A329 PolarHBondContact O-N 2.85Å
328	L	88.5	Confident	94.1	Very high	20 Å²	20	32.3 Å²	32.3	11%	0.105	20%	0.197	C	C	.	.			trans	-81	59.3	-179	-60.3	-178.1	0	0	0	112	A152 W271 I314 V325	A152-L328 HydrophobicContact CB-CD2 4.22Å; W271-L328 HydrophobicContact CB-CB 4.44Å; W271-L328 HydrophobicContact CB-CD1 3.99Å; I314-L328 HydrophobicContact CD1-CD2 3.89Å; V325-L328 HydrophobicContact CG2-CD1 4.41Å; V325-L328 WeakPolarHBondContact O-CB 3.38Å; V325-L328 PolarHBondContact O-N 3.29Å; V325-L328 VanDerWaalsContact O-N 3.12Å
329	A	88.3	Confident	94.5	Very high	24 Å²	24	31.1 Å²	31.1	20%	0.198	19%	0.186	C	C	.	.			trans	-80.1	-19.7	-173.6	0	0	0	0	0	114.5	N274 F280 N327 S331	N274-A329 PolarHBondContact ND2-O 3.27Å; F280-A329 HydrophobicContact CB-CB 4.24Å; F280-A329 HydrophobicContact CD1-CB 4.32Å; F280-A329 HydrophobicContact CD2-CB 3.55Å; F280-A329 HydrophobicContact CE2-CB 3.93Å; F280-A329 HydrophobicContact CG-CB 3.75Å; F280-A329 HydrophobicContact CZ-CB 4.48Å; N327-A329 PolarHBondContact O-N 2.85Å; A329-S331 PolarHBondContact O-N 2.94Å
330	L	91.9	Very high	94.6	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	19%	0.193	C	C	.	.	S	Bend	trans	-84.9	67.4	176.5	-77.4	170	0	0	0	110.8	F153 L154 L195 F280 G312	F153-L330 VanDerWaalsContact CB-O 3.26Å; F153-L330 WeakPolarHBondContact CB-O 3.44Å; L154-L330 HydrophobicContact CD2-CB 3.65Å; L154-L330 HydrophobicContact CD2-CD1 3.48Å; L154-L330 VanDerWaalsContact CD2-CD1 3.48Å; L154-L330 HydrophobicContact CD2-CG 4.18Å; L195-L330 HydrophobicContact CB-CD2 4.45Å; L195-L330 HydrophobicContact CD1-CD2 4.16Å; F280-L330 HydrophobicContact CD1-CD2 3.97Å; F280-L330 HydrophobicContact CD1-CG 4.14Å; F280-L330 HydrophobicContact CE1-CD1 3.85Å; F280-L330 HydrophobicContact CE1-CD2 3.49Å; F280-L330 VanDerWaalsContact CE1-CD2 3.49Å; F280-L330 HydrophobicContact CE1-CG 3.37Å; F280-L330 HydrophobicContact CZ-CD1 4.13Å; F280-L330 HydrophobicContact CZ-CD2 4.49Å; F280-L330 HydrophobicContact CZ-CG 3.93Å; G312-L330 VanDerWaalsContact O-CD1 3.28Å; G312-L330 WeakPolarHBondContact O-CD1 3.22Å
331	S	95.4	Very high	94.8	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	21%	0.21	C	C	.	.	S	Bend	trans	-125.2	168.3	178.4	54.9	0	0	0	0	110.8	W271 N274 A329	W271-S331 VanDerWaalsContact O-CB 3.29Å; W271-S331 WeakPolarHBondContact O-CB 3.41Å; W271-S331 PolarHBondContact O-OG 2.92Å; N274-S331 WeakPolarHBondContact CB-OG 3.4Å; N274-S331 PolarHBondContact N-OG 3.27Å; N274-S331 VanDerWaalsContact N-OG 3.14Å; A329-S331 PolarHBondContact O-N 2.94Å
332	P	98.5	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.			trans	-49.3	160.2	172	-32.9	37.2	0	0	0	115.2	F153 F194 N205 L208 F246 A272 I273 N274	F153-P332 HydrophobicContact CD1-CG 4.48Å; F153-P332 HydrophobicContact CE1-CG 3.96Å; F153-P332 HydrophobicContact CE2-CG 4.35Å; F153-P332 HydrophobicContact CZ-CG 3.9Å; F194-P332 HydrophobicContact CD1-CG 4.09Å; F194-P332 HydrophobicContact CE1-CG 3.84Å; N205-P332 VanDerWaalsContact OD1-CA 3.24Å; N205-P332 WeakPolarHBondContact OD1-CA 3.35Å; L208-P332 HydrophobicContact CD1-CB 3.84Å; L208-P332 HydrophobicContact CD1-CG 3.86Å; L208-P332 HydrophobicContact CD2-CG 4.18Å; L208-P332 HydrophobicContact CG-CG 4.16Å; F246-P332 HydrophobicContact CD2-CG 4.12Å; F246-P332 HydrophobicContact CE2-CB 4Å; F246-P332 HydrophobicContact CE2-CG 3.66Å; F246-P332 HydrophobicContact CZ-CB 4.1Å; F246-P332 HydrophobicContact CZ-CG 4.24Å; A272-P332 VanDerWaalsContact O-CD 3.25Å; A272-P332 WeakPolarHBondContact O-CD 3.49Å; I273-P332 CarbonylContact C-O 3.54Å; I273-P332 VanDerWaalsContact CA-O 3.27Å; I273-P332 WeakPolarHBondContact CA-O 3.47Å; N274-P332 PolarHBondContact N-O 3.1Å
333	V	98.6	Very high	95.1	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.03	18%	0.176	C	C	.	.			trans	-133.2	155.6	178.8	-59.9	0	0	0	0	110.8	P203 N205 N274 P277 D335	P203-V333 WeakPolarHBondContact O-CG2 3.33Å; N205-V333 PolarHBondContact ND2-O 3.12Å; N205-V333 PolarHBondContact OD1-N 2.69Å; N274-V333 HydrophobicContact CB-CG1 4.18Å; P277-V333 HydrophobicContact CB-CG1 3.64Å; P277-V333 HydrophobicContact CG-CB 4.47Å; P277-V333 HydrophobicContact CG-CG1 3.83Å; V333-D335 HydrophobicContact CG2-CB 4.28Å; V333-D335 PolarHBondContact O-N 3.25Å
334	I	98.6	Very high	95.3	Very high	67 Å²	67	31.4 Å²	31.4	34%	0.344	19%	0.191	S	C	.	.			trans	-75.8	104.9	168.2	-57.4	168.6	0	0	0	107.1	I273 D342	I273-I334 HydrophobicContact CD1-CG1 4.12Å; I273-I334 HydrophobicContact CG2-CG1 4.37Å; I334-D342 HydrophobicContact CD1-CB 4.22Å
335	D	97.9	Very high	95.5	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	21%	0.212	C	C	.	.			trans	-103.6	-5.2	-171.1	63.8	2.1	0	0	0	113.9	P203 N205 V333 D337 F338 L339	P203-D335 HydrophobicContact CB-CB 4.45Å; N205-D335 PolarHBondContact ND2-OD2 3.25Å; V333-D335 HydrophobicContact CG2-CB 4.28Å; V333-D335 PolarHBondContact O-N 3.25Å; D335-D337 PolarHBondContact O-N 2.78Å; D335-D337 PolarHBondContact OD1-N 3.5Å; D335-F338 PolarHBondContact OD1-N 3.36Å; D335-F338 WeakPolarHBondContact OD2-CB 3.41Å; D335-F338 PolarHBondContact OD2-N 2.73Å; D335-L339 PolarHBondContact N-O 3.02Å; D335-L339 PolarHBondContact OD1-N 2.92Å
336	G	98	Very high	95.9	Very high	55 Å²	55	35.1 Å²	35.1	57%	0.567	21%	0.21	S	C	*	.	S	Bend	trans	76.3	7.3	-176.6	0	0	0	0	0	114	L339	G336-L339 PolarHBondContact N-O 3.08Å
337	D	98.2	Very high	96.3	Very high	62 Å²	62	31.6 Å²	31.6	33%	0.332	19%	0.192	S	C	.	.	S	Bend	trans	-136.7	-70.4	-177.5	177.9	12.9	0	0	0	112.4	K89 H252 D335	K89-D337 IonicContact NZ-OD2 3.33Å; K89-D337 PolarHBondContact NZ-OD2 3.22Å; H252-D337 IonicContact CE1-OD1 2.99Å; H252-D337 PolarHBondContact CE1-OD1 2.98Å; H252-D337 PolarHBondContact NE2-O 3.04Å; H252-D337 VanDerWaalsContact NE2-O 3.17Å; H252-D337 IonicContact NE2-OD1 3.86Å; H252-D337 PolarHBondContact NE2-OD1 2.9Å; D335-D337 PolarHBondContact O-N 2.78Å; D335-D337 PolarHBondContact OD1-N 3.5Å
338	F	98.7	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-68.5	-47.3	174.5	-166.8	-86.6	0	0	0	110.2	L208 W209 Q212 F246 T250 D335 P340	L208-F338 HydrophobicContact CB-CD1 4.03Å; L208-F338 HydrophobicContact CB-CE1 3.68Å; L208-F338 HydrophobicContact CB-CE2 4.24Å; L208-F338 HydrophobicContact CB-CG 4.48Å; L208-F338 HydrophobicContact CB-CZ 3.78Å; L208-F338 HydrophobicContact CD1-CD1 3.74Å; L208-F338 HydrophobicContact CD1-CE1 3.67Å; L208-F338 HydrophobicContact CG-CE1 4.25Å; W209-F338 AromaticContact CD2-CD2 3.64Å; W209-F338 HydrophobicContact CD2-CD2 3.64Å; W209-F338 HydrophobicContact CD2-CE2 4.25Å; W209-F338 AromaticContact CE2-CD2 3.52Å; W209-F338 AromaticContact CE3-CD2 3.85Å; W209-F338 HydrophobicContact CE3-CD2 3.85Å; W209-F338 HydrophobicContact CE3-CE2 4.19Å; W209-F338 HydrophobicContact CG-CD2 4.24Å; W209-F338 AromaticContact CH2-CD2 3.92Å; W209-F338 HydrophobicContact CH2-CD2 3.92Å; W209-F338 HydrophobicContact CZ2-CB 3.75Å; W209-F338 AromaticContact CZ2-CD2 3.68Å; W209-F338 HydrophobicContact CZ2-CD2 3.68Å; W209-F338 HydrophobicContact CZ2-CG 4.22Å; W209-F338 AromaticContact CZ3-CD2 3.99Å; W209-F338 HydrophobicContact CZ3-CD2 3.99Å; W209-F338 HydrophobicContact CZ3-CE2 4.45Å; W209-F338 AromaticContact NE1-CD2 4Å; Q212-F338 HydrophobicContact CB-CE2 3.85Å; Q212-F338 HydrophobicContact CB-CZ 4.42Å; Q212-F338 HydrophobicContact CG-CE2 4.05Å; F246-F338 HydrophobicContact CB-CE1 4.42Å; T250-F338 WeakPolarHBondContact CB-O 3.42Å; T250-F338 HydrophobicContact CG2-CE1 4.04Å; T250-F338 HydrophobicContact CG2-CE2 4.16Å; T250-F338 HydrophobicContact CG2-CZ 3.73Å; T250-F338 PolarHBondContact OG1-O 3.46Å; D335-F338 PolarHBondContact OD1-N 3.36Å; D335-F338 WeakPolarHBondContact OD2-CB 3.41Å; D335-F338 PolarHBondContact OD2-N 2.73Å; F338-P340 WeakPolarHBondContact O-CD 3.15Å
339	L	98.4	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-112.4	93.2	169.5	-62.2	-176.4	0	0	0	107.6	F246 I273 D335 G336 D341	F246-L339 HydrophobicContact CB-CD2 4.43Å; F246-L339 HydrophobicContact CD1-CD1 3.65Å; F246-L339 HydrophobicContact CD1-CD2 3.74Å; F246-L339 HydrophobicContact CD1-CG 4.34Å; F246-L339 HydrophobicContact CE1-CD1 3.65Å; F246-L339 HydrophobicContact CE1-CD2 4.48Å; F246-L339 HydrophobicContact CG-CD1 4.5Å; F246-L339 HydrophobicContact CG-CD2 4.46Å; I273-L339 HydrophobicContact CD1-CD1 4.38Å; D335-L339 PolarHBondContact N-O 3.02Å; D335-L339 PolarHBondContact OD1-N 2.92Å; G336-L339 PolarHBondContact N-O 3.08Å; L339-D341 PolarHBondContact O-N 3.23Å
340	P	98.3	Very high	97.8	Very high	57 Å²	57	33.6 Å²	33.6	37%	0.37	20%	0.196	S	C	.	.			trans	-71.3	-17.4	-175.9	26.8	-34.2	0	0	0	114	P251 F338 L346	P251-P340 HydrophobicContact CG-CG 4.36Å; F338-P340 WeakPolarHBondContact O-CD 3.15Å; P340-L346 HydrophobicContact CG-CD1 4.28Å; P340-L346 HydrophobicContact CG-CD2 3.95Å
341	D	98.4	Very high	98.1	Very high	74 Å²	74	34.3 Å²	34.3	40%	0.396	20%	0.202	S	C	.	.	S	Bend	trans	-153.9	179.1	179.7	-163.3	6.2	0	0	0	109.6	L339 N345 L346	L339-D341 PolarHBondContact O-N 3.23Å; D341-N345 WeakPolarHBondContact OD2-CB 3.22Å; D341-N345 PolarHBondContact OD2-ND2 2.89Å; D341-L346 HydrophobicContact CB-CD2 3.99Å; D341-L346 HydrophobicContact CB-CG 4.42Å; D341-L346 WeakPolarHBondContact O-CD1 3.48Å
342	D	98.2	Very high	98.2	Very high	50 Å²	50	38.7 Å²	38.7	27%	0.267	23%	0.225	S	C	.	.			trans	-53.2	133.4	168.9	-172.8	-82.6	0	0	0	111	I334 S344 N345	I334-D342 HydrophobicContact CD1-CB 4.22Å; D342-S344 PolarHBondContact O-N 2.87Å; D342-S344 VanDerWaalsContact OD1-CB 3.24Å; D342-S344 WeakPolarHBondContact OD1-CB 3.38Å; D342-S344 PolarHBondContact OD1-N 2.63Å; D342-S344 PolarHBondContact OD1-OG 2.81Å; D342-N345 PolarHBondContact O-N 2.79Å
343	P	98.3	Very high	98.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-53.8	-30.4	-177.2	-27.9	34.4	0	0	0	114.8	F246 L249 A267 L268 I273 N345 L346 F347	F246-P343 HydrophobicContact CE1-CG 3.94Å; L249-P343 HydrophobicContact CD1-CB 3.77Å; A267-P343 HydrophobicContact CB-CB 3.66Å; A267-P343 HydrophobicContact CB-CG 4Å; L268-P343 HydrophobicContact CD2-CB 4.15Å; I273-P343 HydrophobicContact CD1-CG 3.25Å; I273-P343 HydrophobicContact CG1-CG 4.49Å; P343-N345 PolarHBondContact O-N 3.15Å; P343-L346 PolarHBondContact O-N 3.29Å; P343-F347 WeakPolarHBondContact O-CD2 3.19Å; P343-F347 WeakPolarHBondContact O-CE2 3.24Å
344	S	97.8	Very high	98.2	Very high	45 Å²	45	39.1 Å²	39.1	32%	0.315	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-61.1	-27	178.4	64.5	0	0	0	0	112.9	D342	D342-S344 PolarHBondContact O-N 2.87Å; D342-S344 VanDerWaalsContact OD1-CB 3.24Å; D342-S344 WeakPolarHBondContact OD1-CB 3.38Å; D342-S344 PolarHBondContact OD1-N 2.63Å; D342-S344 PolarHBondContact OD1-OG 2.81Å
345	N	98.5	Very high	98.3	Very high	90 Å²	90	35.9 Å²	35.9	48%	0.481	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-87.6	-8.3	178.2	-63.7	-26.2	0	0	0	113.5	D341 D342 P343 H348	D341-N345 WeakPolarHBondContact OD2-CB 3.22Å; D341-N345 PolarHBondContact OD2-ND2 2.89Å; D342-N345 PolarHBondContact O-N 2.79Å; P343-N345 PolarHBondContact O-N 3.15Å; N345-H348 PolarHBondContact O-CE1 2.86Å; N345-H348 PolarHBondContact O-ND1 3.41Å
346	L	98.6	Very high	98.3	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.037	20%	0.202	C	C	.	.			trans	-100.3	-0.3	-169.1	-61.4	-178.1	0	0	0	114.6	L249 P340 D341 P343 H348 N349	L249-L346 HydrophobicContact CB-CB 3.97Å; L249-L346 HydrophobicContact CD2-CB 4.11Å; L249-L346 WeakPolarHBondContact CD2-O 3.46Å; L249-L346 HydrophobicContact CG-CB 4.47Å; P340-L346 HydrophobicContact CG-CD1 4.28Å; P340-L346 HydrophobicContact CG-CD2 3.95Å; D341-L346 HydrophobicContact CB-CD2 3.99Å; D341-L346 HydrophobicContact CB-CG 4.42Å; D341-L346 WeakPolarHBondContact O-CD1 3.48Å; P343-L346 PolarHBondContact O-N 3.29Å; L346-H348 PolarHBondContact O-N 3.05Å; L346-H348 VanDerWaalsContact O-N 3.09Å; L346-N349 WeakPolarHBondContact O-CB 3.48Å; L346-N349 PolarHBondContact O-N 3.1Å
347	F	98.3	Very high	98.3	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-62.7	-19.6	-176.3	-82.8	-93.6	0	0	0	114.3	L249 L268 P343 N349 A350 A443 L446 H447 N450	L249-F347 HydrophobicContact CD1-CE2 4.25Å; L249-F347 HydrophobicContact CD1-CZ 4.43Å; L249-F347 HydrophobicContact CD2-CB 4.29Å; L249-F347 HydrophobicContact CD2-CD1 4Å; L249-F347 HydrophobicContact CD2-CD2 3.9Å; L249-F347 HydrophobicContact CD2-CE1 4.28Å; L249-F347 HydrophobicContact CD2-CE2 4.17Å; L249-F347 HydrophobicContact CD2-CG 3.81Å; L249-F347 HydrophobicContact CD2-CZ 4.36Å; L268-F347 HydrophobicContact CD1-CE2 4.48Å; P343-F347 WeakPolarHBondContact O-CD2 3.19Å; P343-F347 WeakPolarHBondContact O-CE2 3.24Å; F347-N349 PolarHBondContact O-N 2.98Å; F347-A350 PolarHBondContact O-N 2.82Å; F347-A443 HydrophobicContact CE1-CB 4.3Å; F347-A443 VanDerWaalsContact CE1-O 3.32Å; F347-A443 WeakPolarHBondContact CE1-O 3.41Å; F347-A443 HydrophobicContact CZ-CB 3.84Å; F347-L446 HydrophobicContact CB-CB 4.3Å; F347-L446 HydrophobicContact CD1-CB 3.93Å; F347-L446 HydrophobicContact CD2-CB 3.6Å; F347-L446 HydrophobicContact CD2-CD1 3.76Å; F347-L446 HydrophobicContact CD2-CG 4.3Å; F347-L446 HydrophobicContact CE1-CB 4.12Å; F347-L446 HydrophobicContact CE2-CB 3.82Å; F347-L446 HydrophobicContact CE2-CD1 3.57Å; F347-L446 HydrophobicContact CE2-CG 4.38Å; F347-L446 HydrophobicContact CG-CB 3.66Å; F347-L446 HydrophobicContact CZ-CB 4.07Å; F347-L446 HydrophobicContact CZ-CD1 4.32Å; F347-H447 HydrophobicContact CD1-CB 3.92Å; F347-H447 HydrophobicContact CE1-CB 4.07Å; F347-N450 HydrophobicContact CB-CB 4.09Å
348	H	97.4	Very high	98.4	Very high	104 Å²	104	28.6 Å²	28.6	48%	0.481	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-59.5	-25.7	170.9	67.2	-89.4	0	0	0	113.2	N345 L346 A350 A351	N345-H348 PolarHBondContact O-CE1 2.86Å; N345-H348 PolarHBondContact O-ND1 3.41Å; L346-H348 PolarHBondContact O-N 3.05Å; L346-H348 VanDerWaalsContact O-N 3.09Å; H348-A350 VanDerWaalsContact C-N 3.27Å; H348-A350 PolarHBondContact O-N 2.57Å; H348-A351 WeakPolarHBondContact O-CB 3.37Å; H348-A351 PolarHBondContact O-N 3.2Å
349	N	98.2	Very high	98.4	Very high	44 Å²	44	28.6 Å²	28.6	24%	0.235	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-71.6	-23	174.7	-69.5	-35.1	0	0	0	112.8	L249 L346 F347	L249-N349 PolarHBondContact O-ND2 2.96Å; L346-N349 WeakPolarHBondContact O-CB 3.48Å; L346-N349 PolarHBondContact O-N 3.1Å; F347-N349 PolarHBondContact O-N 2.98Å
350	A	98	Very high	98.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-95	6.8	179.4	0	0	0	0	0	113.3	I248 F347 H348 D352 V353 H447	I248-A350 HydrophobicContact CB-CB 4.26Å; I248-A350 HydrophobicContact CD1-CB 4.02Å; I248-A350 HydrophobicContact CG1-CB 4.17Å; F347-A350 PolarHBondContact O-N 2.82Å; H348-A350 VanDerWaalsContact C-N 3.27Å; H348-A350 PolarHBondContact O-N 2.57Å; A350-D352 PolarHBondContact O-N 3.39Å; A350-V353 WeakPolarHBondContact O-CB 3.47Å; A350-V353 PolarHBondContact O-N 2.76Å; A350-H447 PolarHBondContact O-NE2 3.24Å
351	A	97.8	Very high	98.4	Very high	19 Å²	19	28.5 Å²	28.5	16%	0.157	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.7	-171.2	0	0	0	0	0	115	H348 N450 G452 T453 G454	H348-A351 WeakPolarHBondContact O-CB 3.37Å; H348-A351 PolarHBondContact O-N 3.2Å; A351-N450 VanDerWaalsContact CB-O 3.27Å; A351-N450 WeakPolarHBondContact CB-O 3.4Å; A351-G452 PolarHBondContact O-N 2.87Å; A351-T453 PolarHBondContact O-N 2.87Å; A351-G454 PolarHBondContact O-N 3.15Å
352	D	98	Very high	98.3	Very high	95 Å²	95	26 Å²	26	51%	0.508	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	9.5	-178.6	-65	-44.4	0	0	0	114.1	K258 A350 T453	K258-D352 PolarHBondContact NZ-O 2.89Å; A350-D352 PolarHBondContact O-N 3.39Å; D352-T453 PolarHBondContact OD1-N 3.04Å; D352-T453 PolarHBondContact OD1-OG1 3.33Å
353	V	98.8	Very high	98.3	Very high	12 Å²	12	23.6 Å²	23.6	7%	0.073	13%	0.129	C	C	.	.	S	Bend	trans	-96.4	125.6	178.7	-177.6	0	0	0	0	108.2	I248 I257 K258 A260 A350 H447 G454	I248-V353 HydrophobicContact CG2-CG1 4.07Å; I257-V353 HydrophobicContact CG2-CG1 4.23Å; K258-V353 WeakPolarHBondContact O-CA 3.29Å; A260-V353 HydrophobicContact CB-CG1 4.14Å; A350-V353 WeakPolarHBondContact O-CB 3.47Å; A350-V353 PolarHBondContact O-N 2.76Å; V353-H447 PolarHBondContact O-CE1 2.93Å; V353-H447 VanDerWaalsContact O-CE1 3.27Å; V353-H447 PolarHBondContact O-NE2 3.12Å; V353-G454 WeakPolarHBondContact O-CA 3.39Å
354	D	98.9	Very high	98.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.011	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.9	168	-59.6	-58.9	0	0	0	108.4	K258 R259 A260 R455 F518 G522	K258-D354 PolarHBondContact O-N 3.16Å; R259-D354 CarbonylContact C-O 3.49Å; R259-D354 WeakPolarHBondContact CA-O 3.21Å; R259-D354 HydrophobicContact CB-CB 4.25Å; R259-D354 WeakPolarHBondContact CB-O 3.29Å; R259-D354 HydrophobicContact CG-CB 3.86Å; R259-D354 IonicContact NE-OD2 3.96Å; R259-D354 PolarHBondContact NE-OD2 3.09Å; A260-D354 PolarHBondContact N-O 2.91Å; D354-R455 CarbonylContact C-O 3.57Å; D354-R455 WeakPolarHBondContact CA-O 3.46Å; D354-R455 VanDerWaalsContact CG-NH2 3.34Å; D354-R455 WeakPolarHBondContact OD1-CB 3.39Å; D354-R455 IonicContact OD1-CZ 3.76Å; D354-R455 PolarHBondContact OD1-N 2.95Å; D354-R455 IonicContact OD1-NE 3.91Å; D354-R455 PolarHBondContact OD1-NE 3.25Å; D354-R455 IonicContact OD1-NH2 2.84Å; D354-R455 PolarHBondContact OD1-NH2 3.24Å; D354-R455 IonicContact OD2-CZ 3.18Å; D354-R455 IonicContact OD2-NE 3.24Å; D354-R455 IonicContact OD2-NH2 3.47Å; D354-R455 PolarHBondContact OD2-NH2 2.94Å; D354-F518 HydrophobicContact CB-CE2 3.7Å; D354-F518 HydrophobicContact CB-CZ 3.6Å; D354-F518 WeakPolarHBondContact O-CZ 3.32Å; D354-G522 WeakPolarHBondContact OD2-CA 3.48Å
355	Y	98.9	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.3	-174.1	-171.6	-136.7	0	0	0	113	I248 A260 S262 V266 A357 H447 R455 T456 Y457	I248-Y355 HydrophobicContact CD1-CD2 3.99Å; I248-Y355 HydrophobicContact CD1-CE2 4.08Å; I248-Y355 HydrophobicContact CD1-CG 4.34Å; A260-Y355 HydrophobicContact CB-CD2 3.63Å; A260-Y355 HydrophobicContact CB-CE2 4.07Å; A260-Y355 WeakPolarHBondContact O-CA 3.41Å; A260-Y355 WeakPolarHBondContact O-CD2 3.46Å; S262-Y355 WeakPolarHBondContact CB-OH 3.49Å; S262-Y355 WeakPolarHBondContact OG-CE2 3.46Å; S262-Y355 PolarHBondContact OG-OH 3.04Å; V266-Y355 WeakPolarHBondContact CG1-OH 3.34Å; Y355-A357 HydrophobicContact CE1-CB 3.94Å; Y355-A357 HydrophobicContact CE2-CB 4.42Å; Y355-H447 VanDerWaalsContact CB-CE1 3.44Å; Y355-H447 WeakPolarHBondContact CB-CE1 3.29Å; Y355-H447 WeakPolarHBondContact CB-NE2 3.27Å; Y355-H447 HydrophobicContact CD1-CB 4Å; Y355-H447 AromaticContact CD1-CD2 3.96Å; Y355-H447 AromaticContact CD1-CG 3.78Å; Y355-R455 PolarHBondContact N-O 3.14Å; Y355-T456 CarbonylContact O-C 3.51Å; Y355-T456 VanDerWaalsContact O-CA 3.29Å; Y355-T456 WeakPolarHBondContact O-CA 3.23Å; Y355-Y457 PolarHBondContact O-N 3.45Å
356	M	98.8	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	138.7	164.7	-52.2	-159.2	-69.6	0	0	109.6	A260 I261 S262 Y457 W515 F518 P524 W535	A260-M356 PolarHBondContact O-N 3.1Å; I261-M356 CarbonylContact C-O 3.53Å; I261-M356 VanDerWaalsContact CA-O 3.26Å; I261-M356 WeakPolarHBondContact CA-O 3.4Å; I261-M356 HydrophobicContact CB-CE 4.49Å; I261-M356 HydrophobicContact CD1-CE 3.39Å; I261-M356 HydrophobicContact CG1-CB 4.29Å; I261-M356 HydrophobicContact CG1-CE 3.59Å; I261-M356 HydrophobicContact CG1-CG 4.49Å; I261-M356 HydrophobicContact CG2-CB 4.15Å; I261-M356 HydrophobicContact CG2-CE 4.14Å; S262-M356 PolarHBondContact N-O 3.16Å; M356-Y457 WeakPolarHBondContact CA-O 3.41Å; M356-Y457 HydrophobicContact CG-CD2 4.2Å; M356-Y457 HydrophobicContact CG-CG 4.42Å; M356-W515 HydrophobicContact CE-CD2 4.24Å; M356-W515 HydrophobicContact CE-CE3 4.39Å; M356-W515 HydrophobicContact CE-CG 4.5Å; M356-F518 HydrophobicContact CE-CB 3.69Å; M356-F518 HydrophobicContact CE-CD1 3.59Å; M356-F518 HydrophobicContact CE-CD2 4.26Å; M356-F518 HydrophobicContact CE-CE1 4.21Å; M356-F518 HydrophobicContact CE-CG 3.58Å; M356-F518 HydrophobicContact CG-CD1 3.97Å; M356-F518 HydrophobicContact CG-CD2 3.68Å; M356-F518 HydrophobicContact CG-CE1 3.76Å; M356-F518 HydrophobicContact CG-CE2 3.49Å; M356-F518 VanDerWaalsContact CG-CE2 3.49Å; M356-F518 HydrophobicContact CG-CG 3.9Å; M356-F518 HydrophobicContact CG-CZ 3.51Å; M356-F518 HydrophobicContact SD-CB 3.94Å; M356-F518 HydrophobicContact SD-CD1 4.09Å; M356-F518 HydrophobicContact SD-CD2 3.7Å; M356-F518 HydrophobicContact SD-CE1 4.49Å; M356-F518 HydrophobicContact SD-CE2 4.16Å; M356-F518 HydrophobicContact SD-CG 3.64Å; M356-P524 HydrophobicContact SD-CB 4.36Å; M356-P524 HydrophobicContact SD-CG 3.57Å; M356-P524 VanDerWaalsContact SD-CG 3.57Å; M356-W535 HydrophobicContact SD-CH2 4.07Å; M356-W535 HydrophobicContact SD-CZ2 4.37Å; M356-W535 HydrophobicContact SD-CZ3 4.41Å
357	A	98.9	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.7	168.6	0	0	0	0	0	111.8	S262 Y355 T440 L444 Y457 S458 Y459	S262-A357 VanDerWaalsContact O-CA 3.23Å; S262-A357 WeakPolarHBondContact O-CA 3.47Å; Y355-A357 HydrophobicContact CE1-CB 3.94Å; Y355-A357 HydrophobicContact CE2-CB 4.42Å; A357-T440 HydrophobicContact CB-CG2 3.75Å; A357-L444 HydrophobicContact CB-CD1 4.37Å; A357-L444 HydrophobicContact CB-CD2 3.88Å; A357-L444 HydrophobicContact CB-CG 4.07Å; A357-Y457 PolarHBondContact N-O 3.38Å; A357-S458 WeakPolarHBondContact O-CA 3.41Å; A357-Y459 PolarHBondContact O-N 3.23Å; A357-Y459 VanDerWaalsContact O-N 3.11Å
358	G	98.8	Very high	97.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	175.9	178.1	0	0	0	0	0	112.3	S262 S264 Y459	S262-G358 PolarHBondContact O-N 2.78Å; S262-G358 VanDerWaalsContact O-N 3.16Å; S264-G358 PolarHBondContact N-O 3.48Å; G358-Y459 VanDerWaalsContact CA-CE1 3.44Å; G358-Y459 WeakPolarHBondContact CA-O 3.19Å; G358-Y459 VanDerWaalsContact N-CE1 3.32Å
359	A	98.7	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	166.5	179.1	0	0	0	0	0	109.5	D363 F436 L437 L460 F461	A359-D363 WeakPolarHBondContact CA-OD2 3.25Å; A359-D363 WeakPolarHBondContact CB-OD2 3.46Å; A359-F436 HydrophobicContact CB-CB 4.46Å; A359-L437 HydrophobicContact CB-CB 4.32Å; A359-L437 HydrophobicContact CB-CD1 3.96Å; A359-L460 CarbonylContact O-C 3.52Å; A359-L460 WeakPolarHBondContact O-CA 3.03Å; A359-F461 PolarHBondContact O-N 3.36Å
360	N	98.6	Very high	97	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	151.6	170.6	-59.9	-9	0	0	0	109.2	M362 D363 F461 A480 D481 D485	N360-M362 PolarHBondContact O-N 3.16Å; N360-D363 HydrophobicContact CB-CB 4.15Å; N360-D363 PolarHBondContact N-OD2 3.09Å; N360-D363 WeakPolarHBondContact O-CB 3.15Å; N360-D363 PolarHBondContact O-N 3.21Å; N360-F461 CarbonylContact C-O 3.46Å; N360-F461 WeakPolarHBondContact CA-O 3.35Å; N360-F461 HydrophobicContact CB-CD1 4.49Å; N360-F461 WeakPolarHBondContact OD1-CB 3.35Å; N360-A480 HydrophobicContact CB-CB 4Å; N360-D481 PolarHBondContact ND2-O 2.79Å; N360-D485 PolarHBondContact ND2-OD1 3.2Å; N360-D485 VanDerWaalsContact ND2-OD1 3.08Å
361	D	98	Very high	96.9	Very high	54 Å²	54	17.5 Å²	17.5	29%	0.289	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.8	-174.9	74.9	-51	0	0	0	113.9	L460 F461 A480	D361-L460 HydrophobicContact CB-CD1 4.27Å; D361-L460 HydrophobicContact CB-CD2 4.19Å; D361-L460 HydrophobicContact CB-CG 4.27Å; D361-F461 PolarHBondContact N-O 2.85Å; D361-A480 WeakPolarHBondContact OD1-CA 3.3Å; D361-A480 WeakPolarHBondContact OD1-CB 3.23Å; D361-A480 PolarHBondContact OD1-N 3.39Å
362	M	97.4	Very high	96.8	Very high	22 Å²	22	16.7 Å²	16.7	11%	0.108	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	39.1	171.5	-59.8	-161.8	-178.7	0	0	112.4	N360 G364 H365 V428 W477 M478 G479 A480	N360-M362 PolarHBondContact O-N 3.16Å; M362-G364 PolarHBondContact O-N 3.3Å; M362-H365 HydrophobicContact CB-CB 4.21Å; M362-H365 WeakPolarHBondContact O-CB 3.34Å; M362-H365 PolarHBondContact O-N 3.49Å; M362-V428 HydrophobicContact CB-CG1 3.95Å; M362-V428 HydrophobicContact CG-CG1 4.21Å; M362-V428 HydrophobicContact SD-CG1 4.33Å; M362-W477 HydrophobicContact CE-CE3 4.12Å; M362-W477 HydrophobicContact CE-CZ3 4.44Å; M362-W477 WeakPolarHBondContact CE-O 3.35Å; M362-W477 HydrophobicContact SD-CE3 4.13Å; M362-W477 HydrophobicContact SD-CZ3 3.97Å; M362-M478 HydrophobicContact CB-CE 3.45Å; M362-M478 VanDerWaalsContact CB-CE 3.45Å; M362-M478 HydrophobicContact CG-CE 4.13Å; M362-M478 HydrophobicContact SD-CE 3.77Å; M362-M478 HydrophobicContact SD-SD 3.67Å; M362-M478 VanDerWaalsContact SD-SD 3.67Å; M362-G479 PolarHBondContact SD-N 3.46Å; M362-A480 CarbonylContact C-O 3.48Å; M362-A480 VanDerWaalsContact C-O 3.26Å; M362-A480 WeakPolarHBondContact CA-O 3.4Å; M362-A480 WeakPolarHBondContact CB-O 3.23Å; M362-A480 PolarHBondContact N-O 3.08Å
363	D	97.5	Very high	96.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-28.5	-178.4	-133.2	-17.2	0	0	0	114.5	S264 A359 N360 H365 T432 F436 H482	S264-D363 WeakPolarHBondContact CB-OD1 3.38Å; S264-D363 WeakPolarHBondContact CB-OD2 3.41Å; S264-D363 VanDerWaalsContact OG-CG 3.25Å; S264-D363 PolarHBondContact OG-OD1 3.23Å; S264-D363 PolarHBondContact OG-OD2 2.92Å; A359-D363 WeakPolarHBondContact CA-OD2 3.25Å; A359-D363 WeakPolarHBondContact CB-OD2 3.46Å; N360-D363 HydrophobicContact CB-CB 4.15Å; N360-D363 PolarHBondContact N-OD2 3.09Å; N360-D363 WeakPolarHBondContact O-CB 3.15Å; N360-D363 PolarHBondContact O-N 3.21Å; D363-H365 VanDerWaalsContact C-N 3.33Å; D363-T432 HydrophobicContact CB-CG2 3.92Å; D363-F436 HydrophobicContact CB-CB 4.07Å; D363-F436 HydrophobicContact CB-CD2 3.68Å; D363-F436 HydrophobicContact CB-CE2 4.41Å; D363-F436 HydrophobicContact CB-CG 4.03Å; D363-F436 WeakPolarHBondContact O-CE2 3.3Å; D363-H482 WeakPolarHBondContact O-CB 3.41Å; D363-H482 WeakPolarHBondContact OD1-CA 3.31Å; D363-H482 IonicContact OD1-CE1 2.84Å; D363-H482 IonicContact OD1-CG 3.53Å; D363-H482 IonicContact OD1-ND1 3.05Å; D363-H482 PolarHBondContact OD1-ND1 3.12Å
364	G	96.8	Very high	96.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-11.8	177.6	0	0	0	0	0	114.4	M362 I366 F367 T368 T432	M362-G364 PolarHBondContact O-N 3.3Å; G364-I366 PolarHBondContact O-N 3.18Å; G364-F367 WeakPolarHBondContact O-CB 3.27Å; G364-F367 PolarHBondContact O-N 2.93Å; G364-T368 PolarHBondContact O-N 2.96Å; G364-T368 PolarHBondContact O-OG1 3.19Å; G364-T432 WeakPolarHBondContact CA-OG1 3.36Å; G364-T432 PolarHBondContact N-OG1 3.03Å
365	H	95.3	Very high	95.9	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-44	-165.4	173.5	-87.5	0	0	0	113.8	M362 D363 F367 T368 G369 N376 V428 Y474 M478 D481	M362-H365 HydrophobicContact CB-CB 4.21Å; M362-H365 WeakPolarHBondContact O-CB 3.34Å; M362-H365 PolarHBondContact O-N 3.49Å; D363-H365 VanDerWaalsContact C-N 3.33Å; H365-F367 VanDerWaalsContact C-N 3.27Å; H365-F367 PolarHBondContact O-N 2.91Å; H365-T368 PolarHBondContact O-N 3.41Å; H365-G369 PolarHBondContact O-N 3.19Å; H365-N376 PolarHBondContact CE1-OD1 3.2Å; H365-N376 PolarHBondContact NE2-OD1 3.06Å; H365-N376 VanDerWaalsContact NE2-OD1 3.12Å; H365-V428 HydrophobicContact CB-CG1 3.9Å; H365-Y474 AromaticContact CE1-CD1 3.41Å; H365-Y474 VanDerWaalsContact CE1-CD1 3.41Å; H365-Y474 WeakPolarHBondContact CE1-CD1 3.44Å; H365-Y474 AromaticContact CE1-CE1 3.24Å; H365-Y474 WeakPolarHBondContact CE1-CE1 3.36Å; H365-Y474 AromaticContact ND1-CE1 3.51Å; H365-M478 HydrophobicContact CB-CE 3.5Å; H365-M478 VanDerWaalsContact CB-CE 3.5Å; H365-M478 HydrophobicContact CB-SD 4.23Å; H365-M478 PolarHBondContact CD2-SD 3.24Å; H365-M478 VanDerWaalsContact CG-SD 3.54Å; H365-D481 WeakPolarHBondContact CB-OD1 3.4Å; H365-D481 IonicContact CE1-OD2 3.66Å; H365-D481 IonicContact CG-OD2 3.64Å; H365-D481 IonicContact ND1-OD1 2.66Å; H365-D481 IonicContact ND1-OD2 2.75Å; H365-D481 PolarHBondContact ND1-OD2 2.8Å
366	I	91.9	Very high	95.5	Very high	68 Å²	68	19.3 Å²	19.3	35%	0.349	11%	0.109	S	C	.	.	H	α-helix	trans	-58.5	-37.5	176.2	-169	170.7	0	0	0	112.9	G364 D481 H482	G364-I366 PolarHBondContact O-N 3.18Å; I366-D481 PolarHBondContact N-OD1 3.41Å; I366-H482 HydrophobicContact CG2-CB 3.63Å
367	F	94.5	Very high	95	Very high	28 Å²	28	20.7 Å²	20.7	12%	0.123	12%	0.119	C	C	.	.	H	α-helix	trans	-73.4	-44.3	178.3	-59.3	-87.8	0	0	0	110.4	L324 G364 H365 G369 I370 D371 E431 L435 F436 H482	L324-F367 HydrophobicContact CD2-CD1 4.34Å; G364-F367 WeakPolarHBondContact O-CB 3.27Å; G364-F367 PolarHBondContact O-N 2.93Å; H365-F367 VanDerWaalsContact C-N 3.27Å; H365-F367 PolarHBondContact O-N 2.91Å; F367-G369 PolarHBondContact O-N 2.88Å; F367-I370 WeakPolarHBondContact O-CA 3.31Å; F367-I370 WeakPolarHBondContact O-CB 3.46Å; F367-I370 PolarHBondContact O-N 3.29Å; F367-D371 PolarHBondContact O-N 2.91Å; F367-E431 WeakPolarHBondContact CB-OE2 3.35Å; F367-L435 HydrophobicContact CB-CD1 3.93Å; F367-L435 HydrophobicContact CD1-CD1 4.46Å; F367-L435 HydrophobicContact CD2-CD1 4.02Å; F367-L435 HydrophobicContact CG-CD1 3.87Å; F367-F436 AromaticContact CD2-CE2 3.82Å; F367-F436 HydrophobicContact CD2-CE2 3.82Å; F367-F436 HydrophobicContact CD2-CZ 4.13Å; F367-F436 AromaticContact CE2-CE2 3.52Å; F367-F436 HydrophobicContact CE2-CE2 3.52Å; F367-F436 AromaticContact CE2-CZ 3.38Å; F367-F436 HydrophobicContact CE2-CZ 3.38Å; F367-F436 HydrophobicContact CZ-CE2 4.37Å; F367-F436 AromaticContact CZ-CZ 3.84Å; F367-F436 HydrophobicContact CZ-CZ 3.84Å; F367-H482 HydrophobicContact CE2-CB 4.44Å; F367-H482 AromaticContact CE2-CD2 3.86Å
368	T	95.3	Very high	94.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-29.2	178.2	-46	0	0	0	0	111.5	G364 H365 I370 D371 V372 I375 V427 V428 E431	G364-T368 PolarHBondContact O-N 2.96Å; G364-T368 PolarHBondContact O-OG1 3.19Å; H365-T368 PolarHBondContact O-N 3.41Å; T368-I370 PolarHBondContact O-N 2.97Å; T368-D371 PolarHBondContact O-N 2.79Å; T368-V372 HydrophobicContact CG2-CB 4.36Å; T368-V372 HydrophobicContact CG2-CG2 4.43Å; T368-V372 CarbonylContact O-C 3.55Å; T368-V372 VanDerWaalsContact O-C 3.31Å; T368-V372 VanDerWaalsContact O-CA 3.32Å; T368-V372 WeakPolarHBondContact O-CA 3.4Å; T368-V372 PolarHBondContact O-N 2.79Å; T368-I375 HydrophobicContact CG2-CD1 3.72Å; T368-I375 HydrophobicContact CG2-CG2 4.18Å; T368-V427 HydrophobicContact CG2-CB 4.05Å; T368-V427 HydrophobicContact CG2-CG1 3.32Å; T368-V428 HydrophobicContact CG2-CG2 4.2Å; T368-E431 WeakPolarHBondContact CA-OE1 3.31Å; T368-E431 VanDerWaalsContact CA-OE2 3.29Å; T368-E431 WeakPolarHBondContact CA-OE2 3.41Å; T368-E431 PolarHBondContact N-OE2 3.41Å; T368-E431 WeakPolarHBondContact OG1-CB 3.28Å; T368-E431 PolarHBondContact OG1-OE1 3.09Å; T368-E431 PolarHBondContact OG1-OE2 3.25Å
369	G	93.3	Very high	93.8	Very high	13 Å²	13	33.7 Å²	33.7	13%	0.134	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-22.3	174.4	0	0	0	0	0	113.6	H365 F367 P373	H365-G369 PolarHBondContact O-N 3.19Å; F367-G369 PolarHBondContact O-N 2.88Å; G369-P373 WeakPolarHBondContact O-CA 3.29Å
370	I	92.8	Very high	93.5	Very high	50 Å²	50	38.7 Å²	38.7	26%	0.256	23%	0.229	S	C	.	.	H	α-helix	trans	-88.5	-43.4	175	-62.1	168.8	0	0	0	110	L324 F367 T368	L324-I370 HydrophobicContact CB-CG2 4.42Å; L324-I370 HydrophobicContact CD2-CB 4.39Å; L324-I370 HydrophobicContact CD2-CD1 3.5Å; L324-I370 HydrophobicContact CD2-CG2 4.17Å; F367-I370 WeakPolarHBondContact O-CA 3.31Å; F367-I370 WeakPolarHBondContact O-CB 3.46Å; F367-I370 PolarHBondContact O-N 3.29Å; T368-I370 PolarHBondContact O-N 2.97Å
371	D	95.5	Very high	93.1	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-74	-39.6	-178.4	-68.5	-27	0	0	0	112.2	G318 S319 P320 P323 L324 F367 T368	G318-D371 WeakPolarHBondContact CA-OD1 3.43Å; S319-D371 VanDerWaalsContact CA-O 3.31Å; S319-D371 WeakPolarHBondContact CA-O 3.23Å; S319-D371 PolarHBondContact N-OD1 3.04Å; P320-D371 VanDerWaalsContact CD-O 3.27Å; P320-D371 WeakPolarHBondContact CD-O 3.34Å; P323-D371 WeakPolarHBondContact CA-OD1 3.27Å; P323-D371 WeakPolarHBondContact CA-OD2 3.33Å; P323-D371 VanDerWaalsContact CB-OD2 3.29Å; P323-D371 WeakPolarHBondContact CB-OD2 3.44Å; L324-D371 PolarHBondContact N-OD1 2.82Å; L324-D371 PolarHBondContact N-OD2 3.29Å; L324-D371 VanDerWaalsContact N-OD2 3.16Å; F367-D371 PolarHBondContact O-N 2.91Å; T368-D371 PolarHBondContact O-N 2.79Å
372	V	95.6	Very high	93	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	24%	0.237	C	C	.	.			trans	-131.8	75	-178.2	-165.7	0	0	0	0	110.4	P320 T368 S374 I375 T382 D386 V427	P320-V372 HydrophobicContact CG-CG2 3.87Å; T368-V372 HydrophobicContact CG2-CB 4.36Å; T368-V372 HydrophobicContact CG2-CG2 4.43Å; T368-V372 CarbonylContact O-C 3.55Å; T368-V372 VanDerWaalsContact O-C 3.31Å; T368-V372 VanDerWaalsContact O-CA 3.32Å; T368-V372 WeakPolarHBondContact O-CA 3.4Å; T368-V372 PolarHBondContact O-N 2.79Å; V372-S374 PolarHBondContact O-N 3.3Å; V372-I375 HydrophobicContact CB-CG2 4.26Å; V372-I375 HydrophobicContact CG1-CG2 4.22Å; V372-I375 WeakPolarHBondContact O-CG1 3.27Å; V372-I375 WeakPolarHBondContact O-CG2 3.17Å; V372-I375 PolarHBondContact O-N 2.84Å; V372-I375 VanDerWaalsContact O-N 3.08Å; V372-T382 HydrophobicContact CG1-CG2 3.72Å; V372-D386 HydrophobicContact CG1-CB 4.27Å; V372-V427 HydrophobicContact CB-CG1 4.24Å; V372-V427 HydrophobicContact CG2-CG1 3.75Å
373	P	92.6	Very high	92.9	Very high	85 Å²	85	42.3 Å²	42.3	55%	0.552	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-58.4	-19.6	-172.6	-26.9	35.3	0	0	0	115.6	G369 I375 N376	G369-P373 WeakPolarHBondContact O-CA 3.29Å; P373-I375 PolarHBondContact O-N 3.17Å; P373-N376 PolarHBondContact O-N 3.17Å
374	S	93	Very high	92.8	Very high	17 Å²	17	44.8 Å²	44.8	12%	0.119	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.5	-21.2	177.4	62	0	0	0	0	113.5	V372 N376 S377 T382 K424	V372-S374 PolarHBondContact O-N 3.3Å; S374-N376 PolarHBondContact O-N 3Å; S374-S377 PolarHBondContact O-N 3.07Å; S374-S377 VanDerWaalsContact O-N 3.15Å; S374-T382 WeakPolarHBondContact OG-CB 3.26Å; S374-T382 PolarHBondContact OG-OG1 2.98Å; S374-K424 WeakPolarHBondContact O-CE 3.41Å; S374-K424 PolarHBondContact O-NZ 3.02Å
375	I	92.4	Very high	92.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.7	-36.6	177.7	70.4	170.8	0	0	0	112	T368 V372 P373 S377 K424 V428 W477	T368-I375 HydrophobicContact CG2-CD1 3.72Å; T368-I375 HydrophobicContact CG2-CG2 4.18Å; V372-I375 HydrophobicContact CB-CG2 4.26Å; V372-I375 HydrophobicContact CG1-CG2 4.22Å; V372-I375 WeakPolarHBondContact O-CG1 3.27Å; V372-I375 WeakPolarHBondContact O-CG2 3.17Å; V372-I375 PolarHBondContact O-N 2.84Å; V372-I375 VanDerWaalsContact O-N 3.08Å; P373-I375 PolarHBondContact O-N 3.17Å; I375-S377 VanDerWaalsContact C-N 3.35Å; I375-K424 HydrophobicContact CG2-CG 4.48Å; I375-V428 HydrophobicContact CD1-CG2 3.81Å; I375-W477 WeakPolarHBondContact O-CZ2 3.43Å
376	N	89.9	Confident	92.9	Very high	61 Å²	61	50.2 Å²	50.2	33%	0.326	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-83.8	-11.9	-177.8	-75.4	-47.4	0	0	0	113.1	H365 P373 S374	H365-N376 PolarHBondContact CE1-OD1 3.2Å; H365-N376 PolarHBondContact NE2-OD1 3.06Å; H365-N376 VanDerWaalsContact NE2-OD1 3.12Å; P373-N376 PolarHBondContact O-N 3.17Å; S374-N376 PolarHBondContact O-N 3Å
377	S	88.5	Confident	93.2	Very high	30 Å²	30	47 Å²	47	21%	0.21	28%	0.28	C	S	.	.			trans	-87.9	124.1	-177.6	-179.8	0	0	0	0	111.5	S374 I375 L379 L380 K424	S374-S377 PolarHBondContact O-N 3.07Å; S374-S377 VanDerWaalsContact O-N 3.15Å; I375-S377 VanDerWaalsContact C-N 3.35Å; S377-L379 PolarHBondContact O-N 3.45Å; S377-L379 PolarHBondContact OG-N 2.91Å; S377-L380 WeakPolarHBondContact OG-CG 3.38Å; S377-L380 PolarHBondContact OG-N 3.17Å; S377-K424 PolarHBondContact O-NZ 3.21Å
378	A	84.9	Confident	93.3	Very high	108 Å²	108	49.4 Å²	49.4	89%	0.893	29%	0.291	S	S	*	.	S	Bend	trans	-69.1	-18.8	170.2	0	0	0	0	0	113.1
379	L	87.5	Confident	93.5	Very high	164 Å²	164	52.7 Å²	52.7	86%	0.859	30%	0.303	S	S	*	.	S	Bend	trans	-100.3	-28	-172.6	-60.1	176.9	0	0	0	113.3	S377	S377-L379 PolarHBondContact O-N 3.45Å; S377-L379 PolarHBondContact OG-N 2.91Å
380	L	91.5	Very high	93.7	Very high	105 Å²	105	52 Å²	52	55%	0.55	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-97.7	134.8	-177.8	-58.4	173.9	0	0	0	110.3	S377 K424	S377-L380 WeakPolarHBondContact OG-CG 3.38Å; S377-L380 PolarHBondContact OG-N 3.17Å; L380-K424 WeakPolarHBondContact O-CE 3.38Å; L380-K424 PolarHBondContact O-NZ 3.34Å
381	D	92	Very high	93.9	Very high	76 Å²	76	49.7 Å²	49.7	41%	0.406	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-81	148	169.4	-70	-22.3	0	0	0	109.6	P383 R420	D381-P383 WeakPolarHBondContact O-CD 3.4Å; D381-R420 WeakPolarHBondContact OD1-CD 3.41Å; D381-R420 WeakPolarHBondContact OD1-CG 3.49Å; D381-R420 IonicContact OD1-CZ 3.26Å; D381-R420 IonicContact OD1-NE 3.56Å; D381-R420 PolarHBondContact OD1-NE 2.94Å; D381-R420 IonicContact OD1-NH2 3.54Å; D381-R420 IonicContact OD2-CZ 3.79Å; D381-R420 IonicContact OD2-NE 2.83Å; D381-R420 PolarHBondContact OD2-NE 2.74Å; D381-R420 IonicContact OD2-NH2 3.85Å; D381-R420 PolarHBondContact OD2-NH2 2.8Å
382	T	95.2	Very high	94	Very high	10 Å²	10	51.9 Å²	51.9	6%	0.061	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-92.2	116.7	169.8	-57.7	0	0	0	0	108	V372 S374 D386 V423 K424 V427	V372-T382 HydrophobicContact CG1-CG2 3.72Å; S374-T382 WeakPolarHBondContact OG-CB 3.26Å; S374-T382 PolarHBondContact OG-OG1 2.98Å; T382-D386 HydrophobicContact CG2-CB 4.31Å; T382-V423 HydrophobicContact CG2-CG1 4.22Å; T382-V423 WeakPolarHBondContact O-CG1 3.2Å; T382-K424 WeakPolarHBondContact OG1-CE 3.45Å; T382-K424 WeakPolarHBondContact OG1-CG 3.18Å; T382-V427 HydrophobicContact CG2-CG2 4Å
383	P	95.2	Very high	94.1	Very high	66 Å²	66	52.5 Å²	52.5	43%	0.429	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-58.6	141.7	175.8	-23.2	32.7	0	0	0	111.7	D381 D385 D386	D381-P383 WeakPolarHBondContact O-CD 3.4Å; P383-D385 HydrophobicContact CB-CB 4.29Å; P383-D385 PolarHBondContact O-N 3.46Å; P383-D385 VanDerWaalsContact O-N 3.16Å; P383-D386 WeakPolarHBondContact CD-OD2 3.37Å; P383-D386 WeakPolarHBondContact O-CB 3.25Å; P383-D386 PolarHBondContact O-N 3.43Å
384	V	96.1	Very high	94.2	Very high	52 Å²	52	49.1 Å²	49.1	32%	0.315	28%	0.281	S	S	.	.	H	α-helix	trans	-58.5	-26.3	168.2	172.3	0	0	0	0	111	D386 V387 K388 F407 W414 V423	V384-D386 VanDerWaalsContact C-N 3.28Å; V384-D386 PolarHBondContact O-N 2.96Å; V384-V387 WeakPolarHBondContact O-CB 3.48Å; V384-V387 PolarHBondContact O-N 3.24Å; V384-K388 PolarHBondContact O-N 2.92Å; V384-F407 HydrophobicContact CG1-CE2 4.35Å; V384-F407 HydrophobicContact CG1-CZ 4.18Å; V384-W414 HydrophobicContact CB-CZ3 4.47Å; V384-W414 HydrophobicContact CG1-CH2 4.15Å; V384-W414 HydrophobicContact CG1-CZ3 3.78Å; V384-W414 HydrophobicContact CG2-CH2 4.13Å; V384-W414 HydrophobicContact CG2-CZ3 3.89Å; V384-V423 HydrophobicContact CG2-CG2 4.11Å
385	D	96.6	Very high	94.4	Very high	93 Å²	93	48.5 Å²	48.5	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-32.1	175.7	-157.2	60.9	0	0	0	112.9	P383 V387 K388 R389	P383-D385 HydrophobicContact CB-CB 4.29Å; P383-D385 PolarHBondContact O-N 3.46Å; P383-D385 VanDerWaalsContact O-N 3.16Å; D385-V387 VanDerWaalsContact C-N 3.34Å; D385-V387 PolarHBondContact O-N 2.98Å; D385-K388 WeakPolarHBondContact O-CB 3.3Å; D385-K388 PolarHBondContact O-N 3.08Å; D385-K388 VanDerWaalsContact O-N 3.12Å; D385-R389 WeakPolarHBondContact O-CB 3.47Å; D385-R389 WeakPolarHBondContact O-CG 3.44Å; D385-R389 PolarHBondContact O-N 2.94Å
386	D	96.9	Very high	94.5	Very high	23 Å²	23	54.5 Å²	54.5	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-67.9	-35.4	175	-72.5	-15.9	0	0	0	111.5	P320 V372 T382 P383 V384 K388 R389 L390	P320-D386 HydrophobicContact CG-CB 3.89Å; V372-D386 HydrophobicContact CG1-CB 4.27Å; T382-D386 HydrophobicContact CG2-CB 4.31Å; P383-D386 WeakPolarHBondContact CD-OD2 3.37Å; P383-D386 WeakPolarHBondContact O-CB 3.25Å; P383-D386 PolarHBondContact O-N 3.43Å; V384-D386 VanDerWaalsContact C-N 3.28Å; V384-D386 PolarHBondContact O-N 2.96Å; D386-K388 VanDerWaalsContact C-N 3.29Å; D386-K388 PolarHBondContact O-N 3.29Å; D386-R389 PolarHBondContact O-N 2.7Å; D386-R389 IonicContact OD1-CZ 2.86Å; D386-R389 IonicContact OD1-NH1 3.96Å; D386-R389 PolarHBondContact OD1-NH1 2.89Å; D386-L390 VanDerWaalsContact O-CB 3.28Å; D386-L390 WeakPolarHBondContact O-CB 3.3Å; D386-L390 PolarHBondContact O-N 3.15Å
387	V	97.3	Very high	94.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-43.6	170.5	179.7	0	0	0	0	110.1	V384 D385 L391 F407 W414 V423 T426 V427 I430	V384-V387 WeakPolarHBondContact O-CB 3.48Å; V384-V387 PolarHBondContact O-N 3.24Å; D385-V387 VanDerWaalsContact C-N 3.34Å; D385-V387 PolarHBondContact O-N 2.98Å; V387-L391 HydrophobicContact CG1-CD1 4.15Å; V387-L391 WeakPolarHBondContact O-CG 3.45Å; V387-L391 PolarHBondContact O-N 2.86Å; V387-L391 VanDerWaalsContact O-N 3.1Å; V387-F407 HydrophobicContact CG1-CD2 4.34Å; V387-F407 HydrophobicContact CG1-CE2 4.17Å; V387-W414 HydrophobicContact CG1-CH2 4.46Å; V387-W414 HydrophobicContact CG2-CH2 4.12Å; V387-W414 HydrophobicContact CG2-CZ2 4.46Å; V387-V423 HydrophobicContact CG2-CG1 3.82Å; V387-T426 HydrophobicContact CG1-CG2 4.37Å; V387-V427 HydrophobicContact CG2-CG2 3.57Å; V387-I430 HydrophobicContact CG1-CD1 3.77Å
388	K	97.9	Very high	95	Very high	79 Å²	79	56.4 Å²	56.4	34%	0.343	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-45.5	-179.1	-67.1	177.4	-179.8	178.6	0	112	V384 D385 D386 L391 S392 F403 F407	V384-K388 PolarHBondContact O-N 2.92Å; D385-K388 WeakPolarHBondContact O-CB 3.3Å; D385-K388 PolarHBondContact O-N 3.08Å; D385-K388 VanDerWaalsContact O-N 3.12Å; D386-K388 VanDerWaalsContact C-N 3.29Å; D386-K388 PolarHBondContact O-N 3.29Å; K388-L391 PolarHBondContact O-N 3.29Å; K388-S392 WeakPolarHBondContact O-CB 3.48Å; K388-S392 PolarHBondContact O-N 2.86Å; K388-S392 PolarHBondContact O-OG 3.39Å; K388-F403 HydrophobicContact CB-CE2 3.81Å; K388-F403 HydrophobicContact CB-CZ 3.99Å; K388-F403 HydrophobicContact CD-CZ 4.35Å; K388-F403 HydrophobicContact CG-CE2 4.13Å; K388-F403 HydrophobicContact CG-CZ 3.98Å; K388-F403 WeakPolarHBondContact O-CE2 3.16Å; K388-F407 HydrophobicContact CD-CE2 4.38Å; K388-F407 HydrophobicContact CG-CD2 3.76Å; K388-F407 HydrophobicContact CG-CE2 3.44Å; K388-F407 VanDerWaalsContact CG-CE2 3.44Å; K388-F407 HydrophobicContact CG-CZ 4.09Å
389	R	97.9	Very high	95.5	Very high	68 Å²	68	52.4 Å²	52.4	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-62.3	-45.7	179.1	-74.3	171.1	58.9	-144.7	2.3	111.5	P320 D321 D385 D386 S392 S393	P320-R389 HydrophobicContact CB-CB 3.56Å; D321-R389 VanDerWaalsContact CG-NH2 3.26Å; D321-R389 WeakPolarHBondContact OD1-CB 3.37Å; D321-R389 WeakPolarHBondContact OD1-CG 3.43Å; D321-R389 IonicContact OD1-CZ 3.38Å; D321-R389 IonicContact OD1-NE 3.68Å; D321-R389 PolarHBondContact OD1-NE 2.7Å; D321-R389 IonicContact OD1-NH2 2.9Å; D321-R389 IonicContact OD2-CZ 2.67Å; D321-R389 IonicContact OD2-NE 3.22Å; D321-R389 PolarHBondContact OD2-NE 3.21Å; D321-R389 IonicContact OD2-NH2 2.83Å; D321-R389 PolarHBondContact OD2-NH2 3.42Å; D385-R389 WeakPolarHBondContact O-CB 3.47Å; D385-R389 WeakPolarHBondContact O-CG 3.44Å; D385-R389 PolarHBondContact O-N 2.94Å; D386-R389 PolarHBondContact O-N 2.7Å; D386-R389 IonicContact OD1-CZ 2.86Å; D386-R389 IonicContact OD1-NH1 3.96Å; D386-R389 PolarHBondContact OD1-NH1 2.89Å; R389-S392 WeakPolarHBondContact O-CB 3.32Å; R389-S392 PolarHBondContact O-N 2.76Å; R389-S393 PolarHBondContact O-N 3.28Å
390	L	97.8	Very high	95.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-49.8	176.5	-177.2	64.1	0	0	0	112.1	P320 P323 D386 S392 S393 F394 V427 I430 E431	P320-L390 HydrophobicContact CB-CB 4.23Å; P320-L390 WeakPolarHBondContact O-CA 3.45Å; P323-L390 HydrophobicContact CB-CD1 4.4Å; P323-L390 HydrophobicContact CG-CD1 3.64Å; D386-L390 VanDerWaalsContact O-CB 3.28Å; D386-L390 WeakPolarHBondContact O-CB 3.3Å; D386-L390 PolarHBondContact O-N 3.15Å; L390-S392 VanDerWaalsContact C-N 3.31Å; L390-S392 PolarHBondContact O-N 2.89Å; L390-S393 WeakPolarHBondContact O-CB 3.48Å; L390-S393 PolarHBondContact O-N 3.42Å; L390-F394 HydrophobicContact CD1-CD2 4.22Å; L390-F394 HydrophobicContact CD1-CE1 4.38Å; L390-F394 HydrophobicContact CD1-CE2 3.59Å; L390-F394 HydrophobicContact CD1-CZ 3.68Å; L390-F394 HydrophobicContact CD2-CE2 4.42Å; L390-F394 HydrophobicContact CG-CD2 4.24Å; L390-F394 HydrophobicContact CG-CE2 3.89Å; L390-F394 HydrophobicContact CG-CZ 4.48Å; L390-F394 PolarHBondContact O-N 3.35Å; L390-F394 VanDerWaalsContact O-N 3.08Å; L390-V427 HydrophobicContact CD2-CG1 3.56Å; L390-I430 HydrophobicContact CD2-CB 4.16Å; L390-I430 HydrophobicContact CD2-CG2 3.78Å; L390-I430 HydrophobicContact CG-CG2 4.1Å; L390-E431 HydrophobicContact CD1-CG 4.42Å; L390-E431 HydrophobicContact CD2-CG 4.05Å
391	L	98	Very high	96.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-39.7	177.3	-72.1	176.2	0	0	0	112	V387 K388 S393 F394 T395 F403 A406 F407 Y410 I430	V387-L391 HydrophobicContact CG1-CD1 4.15Å; V387-L391 WeakPolarHBondContact O-CG 3.45Å; V387-L391 PolarHBondContact O-N 2.86Å; V387-L391 VanDerWaalsContact O-N 3.1Å; K388-L391 PolarHBondContact O-N 3.29Å; L391-S393 VanDerWaalsContact C-N 3.28Å; L391-S393 PolarHBondContact O-N 2.94Å; L391-F394 PolarHBondContact O-N 3.29Å; L391-T395 PolarHBondContact O-N 3.25Å; L391-T395 PolarHBondContact O-OG1 3.32Å; L391-F403 HydrophobicContact CB-CD2 4.27Å; L391-A406 HydrophobicContact CB-CB 4.34Å; L391-A406 HydrophobicContact CD1-CB 4.31Å; L391-A406 HydrophobicContact CD2-CB 4.02Å; L391-A406 HydrophobicContact CG-CB 4.47Å; L391-F407 HydrophobicContact CD1-CB 4.13Å; L391-F407 HydrophobicContact CD1-CD2 4.1Å; L391-Y410 HydrophobicContact CD1-CD2 4.37Å; L391-Y410 HydrophobicContact CD2-CD2 3.96Å; L391-Y410 HydrophobicContact CD2-CE2 4.17Å; L391-I430 HydrophobicContact CD1-CD1 3.99Å; L391-I430 HydrophobicContact CD2-CB 4.44Å; L391-I430 HydrophobicContact CD2-CD1 3.8Å; L391-I430 HydrophobicContact CD2-CG1 3.9Å; L391-I430 HydrophobicContact CD2-CG2 3.64Å; L391-I430 HydrophobicContact CG-CD1 3.78Å; L391-I430 HydrophobicContact CG-CG1 4.44Å; L391-I430 HydrophobicContact CG-CG2 4.45Å
392	S	97.4	Very high	96.3	Very high	49 Å²	49	44.8 Å²	44.8	34%	0.343	24%	0.243	S	C	.	.	H	α-helix	trans	-60.1	-39.4	175.6	-60.8	0	0	0	0	111.8	K388 R389 L390 K396 F403	K388-S392 WeakPolarHBondContact O-CB 3.48Å; K388-S392 PolarHBondContact O-N 2.86Å; K388-S392 PolarHBondContact O-OG 3.39Å; R389-S392 WeakPolarHBondContact O-CB 3.32Å; R389-S392 PolarHBondContact O-N 2.76Å; L390-S392 VanDerWaalsContact C-N 3.31Å; L390-S392 PolarHBondContact O-N 2.89Å; S392-K396 WeakPolarHBondContact O-CA 3.38Å; S392-K396 PolarHBondContact O-N 2.77Å; S392-F403 WeakPolarHBondContact OG-CD2 3.26Å
393	S	96.5	Very high	96.4	Very high	16 Å²	16	46.5 Å²	46.5	11%	0.112	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-46.8	176.8	-165.9	0	0	0	0	111.9	P320 D321 P323 R389 L390 L391 T395 K396	P320-S393 WeakPolarHBondContact O-CB 3.44Å; D321-S393 WeakPolarHBondContact O-CB 3.38Å; D321-S393 PolarHBondContact O-OG 3.03Å; P323-S393 WeakPolarHBondContact CD-OG 3.25Å; R389-S393 PolarHBondContact O-N 3.28Å; L390-S393 WeakPolarHBondContact O-CB 3.48Å; L390-S393 PolarHBondContact O-N 3.42Å; L391-S393 VanDerWaalsContact C-N 3.28Å; L391-S393 PolarHBondContact O-N 2.94Å; S393-T395 VanDerWaalsContact C-N 3.33Å; S393-T395 PolarHBondContact O-N 3.34Å; S393-K396 WeakPolarHBondContact O-CB 3.35Å; S393-K396 WeakPolarHBondContact O-CG 3.3Å; S393-K396 PolarHBondContact O-N 3.03Å
394	F	96.7	Very high	96.5	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.066	25%	0.252	C	S	.	.	H	α-helix	trans	-73.3	-20	179.6	-66.8	-24.8	0	0	0	114.6	P323 V325 L390 L391 I430 E431 Y434 W569	P323-F394 HydrophobicContact CB-CE1 3.74Å; P323-F394 HydrophobicContact CB-CZ 3.97Å; P323-F394 HydrophobicContact CG-CD1 4.35Å; P323-F394 HydrophobicContact CG-CE1 3.61Å; P323-F394 HydrophobicContact CG-CZ 3.96Å; V325-F394 HydrophobicContact CG1-CE1 3.97Å; L390-F394 HydrophobicContact CD1-CD2 4.22Å; L390-F394 HydrophobicContact CD1-CE1 4.38Å; L390-F394 HydrophobicContact CD1-CE2 3.59Å; L390-F394 HydrophobicContact CD1-CZ 3.68Å; L390-F394 HydrophobicContact CD2-CE2 4.42Å; L390-F394 HydrophobicContact CG-CD2 4.24Å; L390-F394 HydrophobicContact CG-CE2 3.89Å; L390-F394 HydrophobicContact CG-CZ 4.48Å; L390-F394 PolarHBondContact O-N 3.35Å; L390-F394 VanDerWaalsContact O-N 3.08Å; L391-F394 PolarHBondContact O-N 3.29Å; F394-I430 HydrophobicContact CD2-CG2 3.92Å; F394-I430 HydrophobicContact CE2-CG2 4.01Å; F394-E431 HydrophobicContact CE2-CG 3.88Å; F394-E431 HydrophobicContact CZ-CG 4.03Å; F394-Y434 HydrophobicContact CB-CD2 4.12Å; F394-Y434 HydrophobicContact CB-CE2 3.99Å; F394-Y434 HydrophobicContact CB-CG 4.48Å; F394-Y434 AromaticContact CD1-CD1 3.8Å; F394-Y434 HydrophobicContact CD1-CD1 3.8Å; F394-Y434 AromaticContact CD1-CE1 3.53Å; F394-Y434 HydrophobicContact CD1-CE1 3.53Å; F394-Y434 HydrophobicContact CD1-CE2 4.43Å; F394-Y434 HydrophobicContact CD1-CG 4.37Å; F394-Y434 AromaticContact CD1-CZ 3.89Å; F394-Y434 AromaticContact CD2-CD1 3.9Å; F394-Y434 HydrophobicContact CD2-CD1 3.9Å; F394-Y434 HydrophobicContact CD2-CD2 4.27Å; F394-Y434 HydrophobicContact CD2-CE1 4.43Å; F394-Y434 AromaticContact CD2-CG 3.82Å; F394-Y434 HydrophobicContact CD2-CG 3.82Å; F394-Y434 AromaticContact CE1-CD1 3.74Å; F394-Y434 HydrophobicContact CE1-CD1 3.74Å; F394-Y434 AromaticContact CE1-CE1 3.67Å; F394-Y434 HydrophobicContact CE1-CE1 3.67Å; F394-Y434 AromaticContact CE2-CD1 3.84Å; F394-Y434 HydrophobicContact CE2-CD1 3.84Å; F394-Y434 HydrophobicContact CE2-CG 4.07Å; F394-Y434 AromaticContact CG-CD1 3.89Å; F394-Y434 HydrophobicContact CG-CD1 3.89Å; F394-Y434 HydrophobicContact CG-CD2 4.13Å; F394-Y434 AromaticContact CG-CE1 3.96Å; F394-Y434 HydrophobicContact CG-CE1 3.96Å; F394-Y434 HydrophobicContact CG-CE2 4.18Å; F394-Y434 AromaticContact CG-CG 4Å; F394-Y434 HydrophobicContact CG-CG 4Å; F394-Y434 AromaticContact CZ-CD1 3.77Å; F394-Y434 HydrophobicContact CZ-CD1 3.77Å; F394-Y434 HydrophobicContact CZ-CE1 4.19Å; F394-Y434 HydrophobicContact CZ-CG 4.45Å; F394-W569 HydrophobicContact CB-CH2 3.91Å; F394-W569 HydrophobicContact CB-CZ3 4.44Å
395	T	96.8	Very high	96.6	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.025	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	15.9	176.1	67	0	0	0	0	113.6	L391 S393 D397 K398 G399 F403 A406 F568 W569 L573	L391-T395 PolarHBondContact O-N 3.25Å; L391-T395 PolarHBondContact O-OG1 3.32Å; S393-T395 VanDerWaalsContact C-N 3.33Å; S393-T395 PolarHBondContact O-N 3.34Å; T395-D397 PolarHBondContact O-N 2.7Å; T395-D397 VanDerWaalsContact O-N 3.12Å; T395-K398 PolarHBondContact O-N 3.42Å; T395-G399 PolarHBondContact O-N 3.26Å; T395-F403 WeakPolarHBondContact OG1-CA 3.46Å; T395-F403 PolarHBondContact OG1-N 2.99Å; T395-F403 VanDerWaalsContact OG1-N 3.14Å; T395-A406 HydrophobicContact CG2-CB 3.87Å; T395-F568 HydrophobicContact CG2-CZ 4.49Å; T395-W569 HydrophobicContact CG2-CH2 3.99Å; T395-W569 HydrophobicContact CG2-CZ3 4.02Å; T395-L573 HydrophobicContact CG2-CD1 3.89Å; T395-L573 HydrophobicContact CG2-CD2 4.15Å
396	K	94.8	Very high	96.6	Very high	125 Å²	125	44.1 Å²	44.1	54%	0.543	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-53.3	-38.2	-171.5	69.4	-174.4	-178.8	-177.9	0	113.4	S392 S393 K398 G399	S392-K396 WeakPolarHBondContact O-CA 3.38Å; S392-K396 PolarHBondContact O-N 2.77Å; S393-K396 WeakPolarHBondContact O-CB 3.35Å; S393-K396 WeakPolarHBondContact O-CG 3.3Å; S393-K396 PolarHBondContact O-N 3.03Å; K396-K398 PolarHBondContact O-N 3.02Å; K396-K398 VanDerWaalsContact O-N 3.12Å; K396-G399 PolarHBondContact O-N 3.28Å
397	D	92.9	Very high	96.7	Very high	101 Å²	101	45.1 Å²	45.1	54%	0.54	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-67.1	-16.2	-177.9	-59.1	-20.8	0	0	0	112.8	T395 T578 M579	T395-D397 PolarHBondContact O-N 2.7Å; T395-D397 VanDerWaalsContact O-N 3.12Å; D397-T578 WeakPolarHBondContact O-CA 3.41Å; D397-T578 WeakPolarHBondContact O-CG2 3.31Å; D397-M579 PolarHBondContact O-N 2.83Å
398	K	95.4	Very high	96.7	Very high	30 Å²	30	48.4 Å²	48.4	13%	0.13	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-108.1	4.5	177.9	-56.5	-56.6	-173.2	170.4	0	113	T395 K396 G402 L573 P574 L576 T578	T395-K398 PolarHBondContact O-N 3.42Å; K396-K398 PolarHBondContact O-N 3.02Å; K396-K398 VanDerWaalsContact O-N 3.12Å; K398-G402 PolarHBondContact O-N 3.48Å; K398-L573 HydrophobicContact CB-CD1 3.96Å; K398-L573 VanDerWaalsContact CE-O 3.23Å; K398-L573 WeakPolarHBondContact CE-O 3.43Å; K398-L573 HydrophobicContact CG-CD1 3.66Å; K398-L573 HydrophobicContact CG-CG 4.07Å; K398-P574 PolarHBondContact NZ-O 3.27Å; K398-L576 HydrophobicContact CB-CB 4.49Å; K398-L576 HydrophobicContact CD-CB 4.19Å; K398-L576 HydrophobicContact CG-CB 4.47Å; K398-L576 PolarHBondContact NZ-O 2.86Å; K398-T578 PolarHBondContact NZ-OG1 3.11Å
399	G	94.9	Very high	96.7	Very high	25 Å²	25	45.6 Å²	45.6	26%	0.258	24%	0.244	S	C	.	.	H	α-helix	trans	54.7	-146	177	0	0	0	0	0	114.2	T395 K396 L401 G402 F403	T395-G399 PolarHBondContact O-N 3.26Å; K396-G399 PolarHBondContact O-N 3.28Å; G399-L401 VanDerWaalsContact C-N 3.34Å; G399-L401 PolarHBondContact O-N 2.89Å; G399-G402 PolarHBondContact O-N 3.39Å; G399-F403 PolarHBondContact O-N 3.2Å; G399-F403 VanDerWaalsContact O-N 3.12Å
400	T	95.6	Very high	96.7	Very high	97 Å²	97	42.9 Å²	42.9	60%	0.595	23%	0.233	S	C	*	.	H	α-helix	trans	-58.7	-40.5	-176.4	-53.1	0	0	0	0	113.1	G402 F403 E404	T400-G402 PolarHBondContact O-N 2.94Å; T400-F403 PolarHBondContact O-N 3.27Å; T400-E404 HydrophobicContact CG2-CG 4.14Å; T400-E404 WeakPolarHBondContact CG2-OE1 3.26Å; T400-E404 WeakPolarHBondContact O-CB 3.39Å; T400-E404 WeakPolarHBondContact O-CG 3.47Å; T400-E404 PolarHBondContact O-N 2.69Å
401	L	95.5	Very high	96.6	Very high	88 Å²	88	43.9 Å²	43.9	46%	0.461	24%	0.24	S	C	.	.	H	α-helix	trans	-65	-41.3	-180	-70.3	176.1	0	0	0	112	G399 N405 L576	G399-L401 VanDerWaalsContact C-N 3.34Å; G399-L401 PolarHBondContact O-N 2.89Å; L401-N405 WeakPolarHBondContact O-CB 3.36Å; L401-N405 PolarHBondContact O-N 3.48Å; L401-N405 VanDerWaalsContact O-N 3.14Å; L401-N405 PolarHBondContact O-ND2 2.75Å; L401-L576 HydrophobicContact CB-CD1 4.33Å
402	G	96.9	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-48.8	174.5	0	0	0	0	0	111.5	K398 G399 T400 A406	K398-G402 PolarHBondContact O-N 3.48Å; G399-G402 PolarHBondContact O-N 3.39Å; T400-G402 PolarHBondContact O-N 2.94Å; G402-A406 WeakPolarHBondContact O-CB 3.49Å; G402-A406 PolarHBondContact O-N 3.38Å
403	F	97.6	Very high	96.3	Very high	45 Å²	45	52.2 Å²	52.2	20%	0.197	28%	0.28	C	S	.	.	H	α-helix	trans	-60.2	-49.9	178.3	161.5	-106.1	0	0	0	112.4	K388 L391 S392 T395 G399 T400 N405 A406 F407	K388-F403 HydrophobicContact CB-CE2 3.81Å; K388-F403 HydrophobicContact CB-CZ 3.99Å; K388-F403 HydrophobicContact CD-CZ 4.35Å; K388-F403 HydrophobicContact CG-CE2 4.13Å; K388-F403 HydrophobicContact CG-CZ 3.98Å; K388-F403 WeakPolarHBondContact O-CE2 3.16Å; L391-F403 HydrophobicContact CB-CD2 4.27Å; S392-F403 WeakPolarHBondContact OG-CD2 3.26Å; T395-F403 WeakPolarHBondContact OG1-CA 3.46Å; T395-F403 PolarHBondContact OG1-N 2.99Å; T395-F403 VanDerWaalsContact OG1-N 3.14Å; G399-F403 PolarHBondContact O-N 3.2Å; G399-F403 VanDerWaalsContact O-N 3.12Å; T400-F403 PolarHBondContact O-N 3.27Å; F403-N405 PolarHBondContact O-N 2.79Å; F403-A406 PolarHBondContact O-N 3.38Å; F403-F407 HydrophobicContact CD2-CB 4.46Å; F403-F407 HydrophobicContact CE2-CB 3.96Å; F403-F407 HydrophobicContact CE2-CD2 4.33Å; F403-F407 HydrophobicContact CE2-CG 4.31Å; F403-F407 HydrophobicContact CZ-CB 4.17Å; F403-F407 HydrophobicContact CZ-CG 4.29Å; F403-F407 WeakPolarHBondContact O-CB 3.35Å; F403-F407 PolarHBondContact O-N 2.93Å
404	E	97.4	Very high	96.2	Very high	105 Å²	105	53.5 Å²	53.5	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-61.5	-43	-177.3	-75.5	176.5	170.1	0	0	111.8	T400 S408	T400-E404 HydrophobicContact CG2-CG 4.14Å; T400-E404 WeakPolarHBondContact CG2-OE1 3.26Å; T400-E404 WeakPolarHBondContact O-CB 3.39Å; T400-E404 WeakPolarHBondContact O-CG 3.47Å; T400-E404 PolarHBondContact O-N 2.69Å; E404-S408 VanDerWaalsContact O-CB 3.26Å; E404-S408 WeakPolarHBondContact O-CB 3.34Å; E404-S408 PolarHBondContact O-N 2.93Å
405	N	97.4	Very high	95.8	Very high	57 Å²	57	55.4 Å²	55.4	31%	0.305	31%	0.306	S	S	.	.	H	α-helix	trans	-66.2	-41.5	176.3	-80.3	-93.4	0	0	0	111.6	L401 F403 T409 F568	L401-N405 WeakPolarHBondContact O-CB 3.36Å; L401-N405 PolarHBondContact O-N 3.48Å; L401-N405 VanDerWaalsContact O-N 3.14Å; L401-N405 PolarHBondContact O-ND2 2.75Å; F403-N405 PolarHBondContact O-N 2.79Å; N405-T409 VanDerWaalsContact O-CB 3.31Å; N405-T409 WeakPolarHBondContact O-CB 3.31Å; N405-T409 PolarHBondContact O-N 3.26Å; N405-T409 PolarHBondContact O-OG1 3.12Å; N405-F568 HydrophobicContact CB-CD2 4.38Å; N405-F568 HydrophobicContact CB-CE2 3.68Å
406	A	97.9	Very high	95.3	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-51.5	177.1	0	0	0	0	0	111	L391 T395 G402 F403 S408 T409 Y410 F568	L391-A406 HydrophobicContact CB-CB 4.34Å; L391-A406 HydrophobicContact CD1-CB 4.31Å; L391-A406 HydrophobicContact CD2-CB 4.02Å; L391-A406 HydrophobicContact CG-CB 4.47Å; T395-A406 HydrophobicContact CG2-CB 3.87Å; G402-A406 WeakPolarHBondContact O-CB 3.49Å; G402-A406 PolarHBondContact O-N 3.38Å; F403-A406 PolarHBondContact O-N 3.38Å; A406-S408 VanDerWaalsContact C-N 3.34Å; A406-S408 PolarHBondContact O-N 3.34Å; A406-T409 WeakPolarHBondContact O-CB 3.48Å; A406-T409 PolarHBondContact O-N 2.99Å; A406-Y410 WeakPolarHBondContact O-CD2 3.24Å; A406-Y410 PolarHBondContact O-N 2.75Å; A406-F568 VanDerWaalsContact CA-CZ 3.44Å; A406-F568 HydrophobicContact CB-CE1 3.76Å; A406-F568 HydrophobicContact CB-CE2 4.36Å; A406-F568 HydrophobicContact CB-CZ 3.45Å; A406-F568 VanDerWaalsContact CB-CZ 3.45Å
407	F	97.9	Very high	95.1	Very high	44 Å²	44	62.1 Å²	62.1	19%	0.193	36%	0.358	C	S	.	.	H	α-helix	trans	-59.9	-45.7	-179.1	-172.7	-100.2	0	0	0	110.8	V384 V387 K388 L391 F403 T409 Y410 T411	V384-F407 HydrophobicContact CG1-CE2 4.35Å; V384-F407 HydrophobicContact CG1-CZ 4.18Å; V387-F407 HydrophobicContact CG1-CD2 4.34Å; V387-F407 HydrophobicContact CG1-CE2 4.17Å; K388-F407 HydrophobicContact CD-CE2 4.38Å; K388-F407 HydrophobicContact CG-CD2 3.76Å; K388-F407 HydrophobicContact CG-CE2 3.44Å; K388-F407 VanDerWaalsContact CG-CE2 3.44Å; K388-F407 HydrophobicContact CG-CZ 4.09Å; L391-F407 HydrophobicContact CD1-CB 4.13Å; L391-F407 HydrophobicContact CD1-CD2 4.1Å; F403-F407 HydrophobicContact CD2-CB 4.46Å; F403-F407 HydrophobicContact CE2-CB 3.96Å; F403-F407 HydrophobicContact CE2-CD2 4.33Å; F403-F407 HydrophobicContact CE2-CG 4.31Å; F403-F407 HydrophobicContact CZ-CB 4.17Å; F403-F407 HydrophobicContact CZ-CG 4.29Å; F403-F407 WeakPolarHBondContact O-CB 3.35Å; F403-F407 PolarHBondContact O-N 2.93Å; F407-T409 VanDerWaalsContact C-N 3.29Å; F407-T409 PolarHBondContact O-N 3.39Å; F407-Y410 PolarHBondContact O-N 3.49Å; F407-T411 HydrophobicContact CD1-CG2 4.41Å; F407-T411 HydrophobicContact CD2-CG2 4.04Å; F407-T411 HydrophobicContact CE1-CG2 4.1Å; F407-T411 HydrophobicContact CE2-CG2 3.71Å; F407-T411 HydrophobicContact CG-CG2 4.38Å; F407-T411 HydrophobicContact CZ-CG2 3.74Å; F407-T411 WeakPolarHBondContact O-CB 3.45Å; F407-T411 WeakPolarHBondContact O-CG2 3.42Å; F407-T411 PolarHBondContact O-N 2.71Å; F407-T411 PolarHBondContact O-OG1 2.77Å
408	S	97.1	Very high	95.1	Very high	68 Å²	68	59.1 Å²	59.1	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-60.6	-37.2	174.4	-173.9	0	0	0	0	112.6	E404 A406 L412	E404-S408 VanDerWaalsContact O-CB 3.26Å; E404-S408 WeakPolarHBondContact O-CB 3.34Å; E404-S408 PolarHBondContact O-N 2.93Å; A406-S408 VanDerWaalsContact C-N 3.34Å; A406-S408 PolarHBondContact O-N 3.34Å; S408-L412 WeakPolarHBondContact O-CB 3.32Å; S408-L412 PolarHBondContact O-N 3.39Å; S408-L412 VanDerWaalsContact O-N 3.13Å
409	T	97.8	Very high	95	Very high	21 Å²	21	60.6 Å²	60.6	13%	0.129	36%	0.358	C	S	.	.	H	α-helix	trans	-68.2	-41.8	-179.3	-62.9	0	0	0	0	111.9	N405 A406 F407 R564 F565 F568	N405-T409 VanDerWaalsContact O-CB 3.31Å; N405-T409 WeakPolarHBondContact O-CB 3.31Å; N405-T409 PolarHBondContact O-N 3.26Å; N405-T409 PolarHBondContact O-OG1 3.12Å; A406-T409 WeakPolarHBondContact O-CB 3.48Å; A406-T409 PolarHBondContact O-N 2.99Å; F407-T409 VanDerWaalsContact C-N 3.29Å; F407-T409 PolarHBondContact O-N 3.39Å; T409-R564 HydrophobicContact CG2-CG 4.15Å; T409-F565 HydrophobicContact CG2-CD1 3.76Å; T409-F565 HydrophobicContact CG2-CE1 4Å; T409-F568 HydrophobicContact CG2-CB 4.01Å; T409-F568 HydrophobicContact CG2-CG 4.21Å
410	Y	97.9	Very high	94.9	Very high	10 Å²	10	67.7 Å²	67.7	4%	0.039	38%	0.377	C	S	.	.	H	α-helix	trans	-81.3	-24.5	-178.8	-81.2	-85.5	0	0	0	114.1	L391 A406 F407 T426 I430 D433 F565 W569	L391-Y410 HydrophobicContact CD1-CD2 4.37Å; L391-Y410 HydrophobicContact CD2-CD2 3.96Å; L391-Y410 HydrophobicContact CD2-CE2 4.17Å; A406-Y410 WeakPolarHBondContact O-CD2 3.24Å; A406-Y410 PolarHBondContact O-N 2.75Å; F407-Y410 PolarHBondContact O-N 3.49Å; Y410-T426 HydrophobicContact CD1-CG2 4.43Å; Y410-I430 HydrophobicContact CD1-CD1 4.21Å; Y410-I430 HydrophobicContact CD1-CG1 3.35Å; Y410-I430 HydrophobicContact CD2-CG1 4.08Å; Y410-I430 HydrophobicContact CE1-CB 4.24Å; Y410-I430 HydrophobicContact CE1-CG1 3.47Å; Y410-I430 VanDerWaalsContact CE1-CG1 3.47Å; Y410-I430 HydrophobicContact CE2-CG1 4.18Å; Y410-I430 HydrophobicContact CG-CD1 4.21Å; Y410-I430 HydrophobicContact CG-CG1 3.7Å; Y410-D433 VanDerWaalsContact CE1-OD2 3.25Å; Y410-D433 WeakPolarHBondContact CE1-OD2 3.29Å; Y410-D433 VanDerWaalsContact CZ-OD2 3.31Å; Y410-D433 WeakPolarHBondContact OH-CB 3.42Å; Y410-D433 VanDerWaalsContact OH-CG 3.3Å; Y410-D433 PolarHBondContact OH-OD2 3.02Å; Y410-F565 HydrophobicContact CD1-CD1 4.05Å; Y410-F565 AromaticContact CD1-CE1 3.53Å; Y410-F565 HydrophobicContact CD1-CE1 3.53Å; Y410-F565 HydrophobicContact CD1-CZ 4.37Å; Y410-F565 HydrophobicContact CD2-CD1 4.33Å; Y410-F565 HydrophobicContact CD2-CE1 4.28Å; Y410-F565 AromaticContact CE1-CD1 3.62Å; Y410-F565 HydrophobicContact CE1-CD1 3.62Å; Y410-F565 AromaticContact CE1-CE1 3.55Å; Y410-F565 HydrophobicContact CE1-CE1 3.55Å; Y410-F565 HydrophobicContact CE1-CZ 4.43Å; Y410-F565 AromaticContact CE2-CD1 3.94Å; Y410-F565 HydrophobicContact CE2-CD1 3.94Å; Y410-F565 HydrophobicContact CE2-CE1 4.29Å; Y410-F565 HydrophobicContact CG-CD1 4.37Å; Y410-F565 AromaticContact CG-CE1 3.9Å; Y410-F565 HydrophobicContact CG-CE1 3.9Å; Y410-F565 AromaticContact CZ-CD1 3.54Å; Y410-F565 AromaticContact CZ-CE1 3.93Å; Y410-W569 HydrophobicContact CE2-CZ2 4.05Å; Y410-W569 AromaticContact CE2-NE1 3.74Å; Y410-W569 AromaticContact CZ-NE1 3.76Å; Y410-W569 PolarHBondContact OH-NE1 3.46Å
411	T	97.1	Very high	94.8	Very high	21 Å²	21	67 Å²	67	13%	0.129	37%	0.367	C	S	.	.	H	α-helix	trans	-105	5	-177.9	65.2	0	0	0	0	113.9	F407 D413 W414	F407-T411 HydrophobicContact CD1-CG2 4.41Å; F407-T411 HydrophobicContact CD2-CG2 4.04Å; F407-T411 HydrophobicContact CE1-CG2 4.1Å; F407-T411 HydrophobicContact CE2-CG2 3.71Å; F407-T411 HydrophobicContact CG-CG2 4.38Å; F407-T411 HydrophobicContact CZ-CG2 3.74Å; F407-T411 WeakPolarHBondContact O-CB 3.45Å; F407-T411 WeakPolarHBondContact O-CG2 3.42Å; F407-T411 PolarHBondContact O-N 2.71Å; F407-T411 PolarHBondContact O-OG1 2.77Å; T411-D413 PolarHBondContact O-N 3.45Å; T411-W414 HydrophobicContact CG2-CD2 3.64Å; T411-W414 HydrophobicContact CG2-CE3 3.63Å; T411-W414 HydrophobicContact CG2-CG 4.37Å; T411-W414 HydrophobicContact CG2-CH2 3.84Å; T411-W414 HydrophobicContact CG2-CZ2 3.83Å; T411-W414 HydrophobicContact CG2-CZ3 3.73Å; T411-W414 WeakPolarHBondContact O-CB 3.46Å; T411-W414 PolarHBondContact O-N 2.94Å
412	L	94.8	Very high	94.8	Very high	107 Å²	107	65.3 Å²	65.3	56%	0.56	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-40.8	-177.7	-173.2	67.4	0	0	0	113.2	S408 W414	S408-L412 WeakPolarHBondContact O-CB 3.32Å; S408-L412 PolarHBondContact O-N 3.39Å; S408-L412 VanDerWaalsContact O-N 3.13Å; L412-W414 VanDerWaalsContact C-N 3.28Å
413	D	92.7	Very high	94.8	Very high	117 Å²	117	65.6 Å²	65.6	63%	0.626	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	4.3	-177.5	-51.2	-49.9	0	0	0	112.2	T411 R564	T411-D413 PolarHBondContact O-N 3.45Å; D413-R564 IonicContact OD1-NH1 3.37Å; D413-R564 PolarHBondContact OD1-NH1 2.96Å; D413-R564 IonicContact OD2-CZ 3.27Å; D413-R564 VanDerWaalsContact OD2-CZ 3.27Å; D413-R564 IonicContact OD2-NH1 2.82Å; D413-R564 PolarHBondContact OD2-NH1 2.79Å; D413-R564 IonicContact OD2-NH2 3.8Å; D413-R564 PolarHBondContact OD2-NH2 2.65Å
414	W	94.5	Very high	94.7	Very high	44 Å²	44	64.1 Å²	64.1	17%	0.167	36%	0.356	C	S	.	.			trans	-72.8	133.4	173.9	-69.4	12.4	0	0	0	109.7	V384 V387 T411 L412 P418 V423 T426	V384-W414 HydrophobicContact CB-CZ3 4.47Å; V384-W414 HydrophobicContact CG1-CH2 4.15Å; V384-W414 HydrophobicContact CG1-CZ3 3.78Å; V384-W414 HydrophobicContact CG2-CH2 4.13Å; V384-W414 HydrophobicContact CG2-CZ3 3.89Å; V387-W414 HydrophobicContact CG1-CH2 4.46Å; V387-W414 HydrophobicContact CG2-CH2 4.12Å; V387-W414 HydrophobicContact CG2-CZ2 4.46Å; T411-W414 HydrophobicContact CG2-CD2 3.64Å; T411-W414 HydrophobicContact CG2-CE3 3.63Å; T411-W414 HydrophobicContact CG2-CG 4.37Å; T411-W414 HydrophobicContact CG2-CH2 3.84Å; T411-W414 HydrophobicContact CG2-CZ2 3.83Å; T411-W414 HydrophobicContact CG2-CZ3 3.73Å; T411-W414 WeakPolarHBondContact O-CB 3.46Å; T411-W414 PolarHBondContact O-N 2.94Å; L412-W414 VanDerWaalsContact C-N 3.28Å; W414-P418 HydrophobicContact CB-CB 4.44Å; W414-P418 HydrophobicContact CD2-CB 3.94Å; W414-P418 HydrophobicContact CD2-CG 4.09Å; W414-P418 HydrophobicContact CE3-CB 4.04Å; W414-P418 HydrophobicContact CE3-CG 3.65Å; W414-P418 HydrophobicContact CG-CB 4.16Å; W414-P418 HydrophobicContact CZ3-CG 3.92Å; W414-V423 HydrophobicContact CH2-CG1 4.49Å; W414-V423 HydrophobicContact CH2-CG2 4.11Å; W414-V423 HydrophobicContact CZ2-CG2 4.32Å; W414-T426 HydrophobicContact CZ2-CG2 3.83Å; W414-T426 PolarHBondContact NE1-OG1 3Å; W414-T426 VanDerWaalsContact NE1-OG1 3.16Å
415	G	87.9	Confident	94.6	Very high	54 Å²	54	62.8 Å²	62.8	56%	0.557	35%	0.348	S	S	*	.			trans	-66.7	174.3	160.1	0	0	0	0	0	111	T417	G415-T417 PolarHBondContact O-N 2.95Å
416	T	86.4	Confident	94.6	Very high	150 Å²	150	60.8 Å²	60.8	92%	0.92	34%	0.338	S	S	*	.	S	Bend	trans	-57.5	-19.9	176.6	54.2	0	0	0	0	113.6
417	T	90.4	Very high	94.6	Very high	121 Å²	121	60.8 Å²	60.8	74%	0.742	34%	0.338	S	S	*	.	S	Bend	trans	-139.5	88.7	178.9	-48.9	0	0	0	0	108.5	G415	G415-T417 PolarHBondContact O-N 2.95Å
418	P	93.9	Very high	94.6	Very high	37 Å²	37	58.9 Å²	58.9	24%	0.24	33%	0.33	C	S	.	.			trans	-64.5	146.8	179.4	29.1	-36.6	0	0	0	110.5	W414 T422 V423	W414-P418 HydrophobicContact CB-CB 4.44Å; W414-P418 HydrophobicContact CD2-CB 3.94Å; W414-P418 HydrophobicContact CD2-CG 4.09Å; W414-P418 HydrophobicContact CE3-CB 4.04Å; W414-P418 HydrophobicContact CE3-CG 3.65Å; W414-P418 HydrophobicContact CG-CB 4.16Å; W414-P418 HydrophobicContact CZ3-CG 3.92Å; P418-T422 HydrophobicContact CB-CG2 4.19Å; P418-V423 HydrophobicContact CB-CG2 4.09Å; P418-V423 HydrophobicContact CG-CG2 3.93Å
419	S	94	Very high	94.6	Very high	61 Å²	61	56.6 Å²	56.6	43%	0.427	32%	0.315	S	S	.	.			trans	-68.9	159	174.4	82.9	0	0	0	0	111.1	E421 T422 V423	S419-E421 VanDerWaalsContact C-N 3.26Å; S419-E421 PolarHBondContact O-N 3.03Å; S419-T422 WeakPolarHBondContact O-CB 3.2Å; S419-T422 PolarHBondContact O-N 3.08Å; S419-T422 VanDerWaalsContact O-N 3.1Å; S419-T422 WeakPolarHBondContact OG-CB 3.25Å; S419-T422 PolarHBondContact OG-N 3.3Å; S419-T422 PolarHBondContact OG-OG1 3.17Å; S419-V423 PolarHBondContact O-N 3.07Å; S419-V423 VanDerWaalsContact O-N 3.14Å
420	R	91.5	Very high	94.7	Very high	174 Å²	174	55.6 Å²	55.6	66%	0.657	31%	0.309	S	S	*	.	H	α-helix	trans	-54.4	-43.3	174.7	-67.8	170.1	166.3	-175.2	-11.7	112.5	D381 V423 K424	D381-R420 WeakPolarHBondContact OD1-CD 3.41Å; D381-R420 WeakPolarHBondContact OD1-CG 3.49Å; D381-R420 IonicContact OD1-CZ 3.26Å; D381-R420 IonicContact OD1-NE 3.56Å; D381-R420 PolarHBondContact OD1-NE 2.94Å; D381-R420 IonicContact OD1-NH2 3.54Å; D381-R420 IonicContact OD2-CZ 3.79Å; D381-R420 IonicContact OD2-NE 2.83Å; D381-R420 PolarHBondContact OD2-NE 2.74Å; D381-R420 IonicContact OD2-NH2 3.85Å; D381-R420 PolarHBondContact OD2-NH2 2.8Å; R420-V423 PolarHBondContact O-N 3.25Å; R420-K424 WeakPolarHBondContact O-CG 3.14Å; R420-K424 PolarHBondContact O-N 3Å
421	E	93.3	Very high	94.7	Very high	83 Å²	83	55.1 Å²	55.1	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-67	-39.3	178.4	-173.9	179.1	134.9	0	0	111.5	S419 V423 K424 K425 W477	S419-E421 VanDerWaalsContact C-N 3.26Å; S419-E421 PolarHBondContact O-N 3.03Å; E421-V423 VanDerWaalsContact C-N 3.34Å; E421-V423 PolarHBondContact O-N 2.91Å; E421-K424 PolarHBondContact O-N 3.04Å; E421-K425 HydrophobicContact CG-CD 4.1Å; E421-K425 HydrophobicContact CG-CG 4.37Å; E421-K425 WeakPolarHBondContact O-CB 3.36Å; E421-K425 WeakPolarHBondContact O-CG 3.49Å; E421-K425 PolarHBondContact O-N 2.69Å; E421-K425 VanDerWaalsContact OE1-CE 3.26Å; E421-K425 WeakPolarHBondContact OE1-CE 3.44Å; E421-K425 IonicContact OE1-NZ 2.77Å; E421-K425 PolarHBondContact OE1-NZ 2.85Å; E421-W477 HydrophobicContact CG-CB 4.15Å; E421-W477 HydrophobicContact CG-CD2 4.5Å; E421-W477 HydrophobicContact CG-CG 3.88Å
422	T	95.8	Very high	94.8	Very high	52 Å²	52	54.4 Å²	54.4	32%	0.319	30%	0.303	S	S	.	.	H	α-helix	trans	-59	-44.8	177.1	-56.6	0	0	0	0	111.5	P418 S419 T426	P418-T422 HydrophobicContact CB-CG2 4.19Å; S419-T422 WeakPolarHBondContact O-CB 3.2Å; S419-T422 PolarHBondContact O-N 3.08Å; S419-T422 VanDerWaalsContact O-N 3.1Å; S419-T422 WeakPolarHBondContact OG-CB 3.25Å; S419-T422 PolarHBondContact OG-N 3.3Å; S419-T422 PolarHBondContact OG-OG1 3.17Å; T422-T426 WeakPolarHBondContact O-CB 3.33Å; T422-T426 PolarHBondContact O-N 3.37Å; T422-T426 PolarHBondContact O-OG1 3.32Å
423	V	96.6	Very high	94.9	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-47.4	179.1	-179.3	0	0	0	0	110.5	T382 V384 V387 W414 P418 S419 R420 E421 K425 T426 V427	T382-V423 HydrophobicContact CG2-CG1 4.22Å; T382-V423 WeakPolarHBondContact O-CG1 3.2Å; V384-V423 HydrophobicContact CG2-CG2 4.11Å; V387-V423 HydrophobicContact CG2-CG1 3.82Å; W414-V423 HydrophobicContact CH2-CG1 4.49Å; W414-V423 HydrophobicContact CH2-CG2 4.11Å; W414-V423 HydrophobicContact CZ2-CG2 4.32Å; P418-V423 HydrophobicContact CB-CG2 4.09Å; P418-V423 HydrophobicContact CG-CG2 3.93Å; S419-V423 PolarHBondContact O-N 3.07Å; S419-V423 VanDerWaalsContact O-N 3.14Å; R420-V423 PolarHBondContact O-N 3.25Å; E421-V423 VanDerWaalsContact C-N 3.34Å; E421-V423 PolarHBondContact O-N 2.91Å; V423-K425 PolarHBondContact O-N 3.44Å; V423-T426 WeakPolarHBondContact O-CB 3.31Å; V423-T426 PolarHBondContact O-N 2.97Å; V423-T426 VanDerWaalsContact O-N 3.1Å; V423-V427 WeakPolarHBondContact O-CG2 3.37Å; V423-V427 PolarHBondContact O-N 3.46Å; V423-V427 VanDerWaalsContact O-N 3.1Å
424	K	96	Very high	95.2	Very high	14 Å²	14	46.1 Å²	46.1	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-49.9	178	-71.1	-179	178.3	-161.5	0	112.8	S374 I375 S377 L380 T382 R420 E421 T426 V427 V428 W477	S374-K424 WeakPolarHBondContact O-CE 3.41Å; S374-K424 PolarHBondContact O-NZ 3.02Å; I375-K424 HydrophobicContact CG2-CG 4.48Å; S377-K424 PolarHBondContact O-NZ 3.21Å; L380-K424 WeakPolarHBondContact O-CE 3.38Å; L380-K424 PolarHBondContact O-NZ 3.34Å; T382-K424 WeakPolarHBondContact OG1-CE 3.45Å; T382-K424 WeakPolarHBondContact OG1-CG 3.18Å; R420-K424 WeakPolarHBondContact O-CG 3.14Å; R420-K424 PolarHBondContact O-N 3Å; E421-K424 PolarHBondContact O-N 3.04Å; K424-T426 PolarHBondContact O-N 3.5Å; K424-V427 PolarHBondContact O-N 3.32Å; K424-V428 PolarHBondContact O-N 2.87Å; K424-V428 VanDerWaalsContact O-N 3.15Å; K424-W477 HydrophobicContact CB-CH2 4.24Å; K424-W477 HydrophobicContact CB-CZ2 3.83Å; K424-W477 HydrophobicContact CD-CZ2 4.13Å
425	K	96.1	Very high	95.4	Very high	77 Å²	77	44.1 Å²	44.1	34%	0.335	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-34.4	175.7	-75.3	-177.5	168.8	172.3	0	112.4	E421 V423 A429 W477	E421-K425 HydrophobicContact CG-CD 4.1Å; E421-K425 HydrophobicContact CG-CG 4.37Å; E421-K425 WeakPolarHBondContact O-CB 3.36Å; E421-K425 WeakPolarHBondContact O-CG 3.49Å; E421-K425 PolarHBondContact O-N 2.69Å; E421-K425 VanDerWaalsContact OE1-CE 3.26Å; E421-K425 WeakPolarHBondContact OE1-CE 3.44Å; E421-K425 IonicContact OE1-NZ 2.77Å; E421-K425 PolarHBondContact OE1-NZ 2.85Å; V423-K425 PolarHBondContact O-N 3.44Å; K425-A429 VanDerWaalsContact O-CB 3.25Å; K425-A429 WeakPolarHBondContact O-CB 3.26Å; K425-A429 PolarHBondContact O-N 2.93Å; K425-W477 HydrophobicContact CG-CD2 4.29Å; K425-W477 HydrophobicContact CG-CE3 3.87Å; K425-W477 HydrophobicContact CG-CZ3 4.25Å
426	T	97.6	Very high	95.9	Very high	15 Å²	15	41.6 Å²	41.6	9%	0.092	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-43.5	177.8	-56.6	0	0	0	0	111.3	V387 Y410 W414 T422 V423 K424 A429 I430	V387-T426 HydrophobicContact CG1-CG2 4.37Å; Y410-T426 HydrophobicContact CD1-CG2 4.43Å; W414-T426 HydrophobicContact CZ2-CG2 3.83Å; W414-T426 PolarHBondContact NE1-OG1 3Å; W414-T426 VanDerWaalsContact NE1-OG1 3.16Å; T422-T426 WeakPolarHBondContact O-CB 3.33Å; T422-T426 PolarHBondContact O-N 3.37Å; T422-T426 PolarHBondContact O-OG1 3.32Å; V423-T426 WeakPolarHBondContact O-CB 3.31Å; V423-T426 PolarHBondContact O-N 2.97Å; V423-T426 VanDerWaalsContact O-N 3.1Å; K424-T426 PolarHBondContact O-N 3.5Å; T426-A429 PolarHBondContact O-N 2.99Å; T426-I430 HydrophobicContact CG2-CD1 4.08Å; T426-I430 WeakPolarHBondContact O-CD1 3.48Å; T426-I430 VanDerWaalsContact O-CG1 3.27Å; T426-I430 WeakPolarHBondContact O-CG1 3.13Å; T426-I430 PolarHBondContact O-N 2.66Å
427	V	97.1	Very high	96.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.5	-46.7	176.6	-171.4	0	0	0	0	110.6	T368 V372 T382 V387 L390 V423 K424 A429 I430 E431	T368-V427 HydrophobicContact CG2-CB 4.05Å; T368-V427 HydrophobicContact CG2-CG1 3.32Å; V372-V427 HydrophobicContact CB-CG1 4.24Å; V372-V427 HydrophobicContact CG2-CG1 3.75Å; T382-V427 HydrophobicContact CG2-CG2 4Å; V387-V427 HydrophobicContact CG2-CG2 3.57Å; L390-V427 HydrophobicContact CD2-CG1 3.56Å; V423-V427 WeakPolarHBondContact O-CG2 3.37Å; V423-V427 PolarHBondContact O-N 3.46Å; V423-V427 VanDerWaalsContact O-N 3.1Å; K424-V427 PolarHBondContact O-N 3.32Å; V427-A429 VanDerWaalsContact C-N 3.31Å; V427-A429 PolarHBondContact O-N 2.92Å; V427-I430 WeakPolarHBondContact O-CB 3.4Å; V427-I430 PolarHBondContact O-N 3.48Å; V427-E431 PolarHBondContact O-N 3.49Å
428	V	97.5	Very high	96.9	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-60.3	-41.3	176.6	174.5	0	0	0	0	111.5	M362 H365 T368 I375 K424 I430 E431 T432 W477	M362-V428 HydrophobicContact CB-CG1 3.95Å; M362-V428 HydrophobicContact CG-CG1 4.21Å; M362-V428 HydrophobicContact SD-CG1 4.33Å; H365-V428 HydrophobicContact CB-CG1 3.9Å; T368-V428 HydrophobicContact CG2-CG2 4.2Å; I375-V428 HydrophobicContact CD1-CG2 3.81Å; K424-V428 PolarHBondContact O-N 2.87Å; K424-V428 VanDerWaalsContact O-N 3.15Å; V428-I430 VanDerWaalsContact C-N 3.34Å; V428-I430 PolarHBondContact O-N 3.05Å; V428-E431 PolarHBondContact O-N 2.87Å; V428-T432 VanDerWaalsContact O-CB 3.3Å; V428-T432 WeakPolarHBondContact O-CB 3.28Å; V428-T432 PolarHBondContact O-N 2.96Å; V428-T432 PolarHBondContact O-OG1 2.96Å; V428-W477 HydrophobicContact CG2-CH2 4.18Å; V428-W477 HydrophobicContact CG2-CZ3 4.33Å
429	A	98.2	Very high	97.1	Very high	21 Å²	21	28 Å²	28	17%	0.174	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-35.3	177.8	0	0	0	0	0	112.6	K425 T426 V427 D433	K425-A429 VanDerWaalsContact O-CB 3.25Å; K425-A429 WeakPolarHBondContact O-CB 3.26Å; K425-A429 PolarHBondContact O-N 2.93Å; T426-A429 PolarHBondContact O-N 2.99Å; V427-A429 VanDerWaalsContact C-N 3.31Å; V427-A429 PolarHBondContact O-N 2.92Å; A429-D433 WeakPolarHBondContact O-CB 3.19Å; A429-D433 PolarHBondContact O-N 2.97Å
430	I	98.6	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-49.2	176.6	-71.9	160.7	0	0	0	110.5	V387 L390 L391 F394 Y410 T426 V427 V428 D433 Y434	V387-I430 HydrophobicContact CG1-CD1 3.77Å; L390-I430 HydrophobicContact CD2-CB 4.16Å; L390-I430 HydrophobicContact CD2-CG2 3.78Å; L390-I430 HydrophobicContact CG-CG2 4.1Å; L391-I430 HydrophobicContact CD1-CD1 3.99Å; L391-I430 HydrophobicContact CD2-CB 4.44Å; L391-I430 HydrophobicContact CD2-CD1 3.8Å; L391-I430 HydrophobicContact CD2-CG1 3.9Å; L391-I430 HydrophobicContact CD2-CG2 3.64Å; L391-I430 HydrophobicContact CG-CD1 3.78Å; L391-I430 HydrophobicContact CG-CG1 4.44Å; L391-I430 HydrophobicContact CG-CG2 4.45Å; F394-I430 HydrophobicContact CD2-CG2 3.92Å; F394-I430 HydrophobicContact CE2-CG2 4.01Å; Y410-I430 HydrophobicContact CD1-CD1 4.21Å; Y410-I430 HydrophobicContact CD1-CG1 3.35Å; Y410-I430 HydrophobicContact CD2-CG1 4.08Å; Y410-I430 HydrophobicContact CE1-CB 4.24Å; Y410-I430 HydrophobicContact CE1-CG1 3.47Å; Y410-I430 VanDerWaalsContact CE1-CG1 3.47Å; Y410-I430 HydrophobicContact CE2-CG1 4.18Å; Y410-I430 HydrophobicContact CG-CD1 4.21Å; Y410-I430 HydrophobicContact CG-CG1 3.7Å; T426-I430 HydrophobicContact CG2-CD1 4.08Å; T426-I430 WeakPolarHBondContact O-CD1 3.48Å; T426-I430 VanDerWaalsContact O-CG1 3.27Å; T426-I430 WeakPolarHBondContact O-CG1 3.13Å; T426-I430 PolarHBondContact O-N 2.66Å; V427-I430 WeakPolarHBondContact O-CB 3.4Å; V427-I430 PolarHBondContact O-N 3.48Å; V428-I430 VanDerWaalsContact C-N 3.34Å; V428-I430 PolarHBondContact O-N 3.05Å; I430-D433 PolarHBondContact O-N 3.32Å; I430-Y434 VanDerWaalsContact O-CB 3.28Å; I430-Y434 WeakPolarHBondContact O-CB 3.24Å; I430-Y434 PolarHBondContact O-N 2.87Å
431	E	98.4	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-72.2	-38	179	-74.8	-172.7	-143	0	0	112.6	F367 T368 L390 F394 V427 V428 D433 Y434 L435	F367-E431 WeakPolarHBondContact CB-OE2 3.35Å; T368-E431 WeakPolarHBondContact CA-OE1 3.31Å; T368-E431 VanDerWaalsContact CA-OE2 3.29Å; T368-E431 WeakPolarHBondContact CA-OE2 3.41Å; T368-E431 PolarHBondContact N-OE2 3.41Å; T368-E431 WeakPolarHBondContact OG1-CB 3.28Å; T368-E431 PolarHBondContact OG1-OE1 3.09Å; T368-E431 PolarHBondContact OG1-OE2 3.25Å; L390-E431 HydrophobicContact CD1-CG 4.42Å; L390-E431 HydrophobicContact CD2-CG 4.05Å; F394-E431 HydrophobicContact CE2-CG 3.88Å; F394-E431 HydrophobicContact CZ-CG 4.03Å; V427-E431 PolarHBondContact O-N 3.49Å; V428-E431 PolarHBondContact O-N 2.87Å; E431-D433 VanDerWaalsContact C-N 3.28Å; E431-D433 PolarHBondContact O-N 2.98Å; E431-Y434 PolarHBondContact O-N 3.16Å; E431-L435 HydrophobicContact CB-CD1 4.06Å; E431-L435 HydrophobicContact CB-CG 4.5Å; E431-L435 WeakPolarHBondContact O-CB 3.27Å; E431-L435 WeakPolarHBondContact O-CG 3.43Å; E431-L435 PolarHBondContact O-N 2.87Å
432	T	98.8	Very high	97.9	Very high	5 Å²	5	14 Å²	14	3%	0.031	8%	0.076	C	C	.	.	H	α-helix	trans	-57.1	-46.1	173.5	-58.9	0	0	0	0	110.7	D363 G364 V428 F436 L437	D363-T432 HydrophobicContact CB-CG2 3.92Å; G364-T432 WeakPolarHBondContact CA-OG1 3.36Å; G364-T432 PolarHBondContact N-OG1 3.03Å; V428-T432 VanDerWaalsContact O-CB 3.3Å; V428-T432 WeakPolarHBondContact O-CB 3.28Å; V428-T432 PolarHBondContact O-N 2.96Å; V428-T432 PolarHBondContact O-OG1 2.96Å; T432-F436 PolarHBondContact O-N 2.86Å; T432-L437 PolarHBondContact O-N 3.48Å
433	D	98.7	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-63.1	-56.5	177	-76.5	-15.3	0	0	0	111.4	Y410 A429 I430 E431 L435 L437 I438 P439 R562	Y410-D433 VanDerWaalsContact CE1-OD2 3.25Å; Y410-D433 WeakPolarHBondContact CE1-OD2 3.29Å; Y410-D433 VanDerWaalsContact CZ-OD2 3.31Å; Y410-D433 WeakPolarHBondContact OH-CB 3.42Å; Y410-D433 VanDerWaalsContact OH-CG 3.3Å; Y410-D433 PolarHBondContact OH-OD2 3.02Å; A429-D433 WeakPolarHBondContact O-CB 3.19Å; A429-D433 PolarHBondContact O-N 2.97Å; I430-D433 PolarHBondContact O-N 3.32Å; E431-D433 VanDerWaalsContact C-N 3.28Å; E431-D433 PolarHBondContact O-N 2.98Å; D433-L435 PolarHBondContact O-N 3.07Å; D433-L437 WeakPolarHBondContact OD1-CD2 3.29Å; D433-I438 HydrophobicContact CB-CD1 4.32Å; D433-I438 HydrophobicContact CB-CG1 3.72Å; D433-I438 VanDerWaalsContact O-CB 3.24Å; D433-I438 WeakPolarHBondContact O-CB 3.48Å; D433-I438 VanDerWaalsContact O-CG1 3.23Å; D433-I438 WeakPolarHBondContact O-CG1 3.48Å; D433-I438 PolarHBondContact O-N 3.41Å; D433-P439 WeakPolarHBondContact O-CD 3.25Å; D433-R562 IonicContact OD1-CZ 2.86Å; D433-R562 IonicContact OD1-NE 3.36Å; D433-R562 PolarHBondContact OD1-NE 2.95Å; D433-R562 IonicContact OD1-NH2 3.45Å; D433-R562 PolarHBondContact OD1-NH2 3.47Å; D433-R562 IonicContact OD2-CZ 3.4Å; D433-R562 IonicContact OD2-NE 2.69Å; D433-R562 IonicContact OD2-NH2 3.54Å; D433-R562 PolarHBondContact OD2-NH2 2.91Å
434	Y	98.4	Very high	98.1	Very high	51 Å²	51	11.1 Å²	11.1	20%	0.2	6%	0.059	C	C	.	.	I	π-helix	trans	-64.4	-42	-172.7	-178	-102.3	0	0	0	112.6	P270 F394 I430 E431 W569	P270-Y434 HydrophobicContact CB-CE1 3.97Å; P270-Y434 WeakPolarHBondContact CD-O 3.27Å; P270-Y434 HydrophobicContact CG-CD1 3.98Å; P270-Y434 HydrophobicContact CG-CE1 3.65Å; P270-Y434 WeakPolarHBondContact CG-O 3.09Å; F394-Y434 HydrophobicContact CB-CD2 4.12Å; F394-Y434 HydrophobicContact CB-CE2 3.99Å; F394-Y434 HydrophobicContact CB-CG 4.48Å; F394-Y434 AromaticContact CD1-CD1 3.8Å; F394-Y434 HydrophobicContact CD1-CD1 3.8Å; F394-Y434 AromaticContact CD1-CE1 3.53Å; F394-Y434 HydrophobicContact CD1-CE1 3.53Å; F394-Y434 HydrophobicContact CD1-CE2 4.43Å; F394-Y434 HydrophobicContact CD1-CG 4.37Å; F394-Y434 AromaticContact CD1-CZ 3.89Å; F394-Y434 AromaticContact CD2-CD1 3.9Å; F394-Y434 HydrophobicContact CD2-CD1 3.9Å; F394-Y434 HydrophobicContact CD2-CD2 4.27Å; F394-Y434 HydrophobicContact CD2-CE1 4.43Å; F394-Y434 AromaticContact CD2-CG 3.82Å; F394-Y434 HydrophobicContact CD2-CG 3.82Å; F394-Y434 AromaticContact CE1-CD1 3.74Å; F394-Y434 HydrophobicContact CE1-CD1 3.74Å; F394-Y434 AromaticContact CE1-CE1 3.67Å; F394-Y434 HydrophobicContact CE1-CE1 3.67Å; F394-Y434 AromaticContact CE2-CD1 3.84Å; F394-Y434 HydrophobicContact CE2-CD1 3.84Å; F394-Y434 HydrophobicContact CE2-CG 4.07Å; F394-Y434 AromaticContact CG-CD1 3.89Å; F394-Y434 HydrophobicContact CG-CD1 3.89Å; F394-Y434 HydrophobicContact CG-CD2 4.13Å; F394-Y434 AromaticContact CG-CE1 3.96Å; F394-Y434 HydrophobicContact CG-CE1 3.96Å; F394-Y434 HydrophobicContact CG-CE2 4.18Å; F394-Y434 AromaticContact CG-CG 4Å; F394-Y434 HydrophobicContact CG-CG 4Å; F394-Y434 AromaticContact CZ-CD1 3.77Å; F394-Y434 HydrophobicContact CZ-CD1 3.77Å; F394-Y434 HydrophobicContact CZ-CE1 4.19Å; F394-Y434 HydrophobicContact CZ-CG 4.45Å; I430-Y434 VanDerWaalsContact O-CB 3.28Å; I430-Y434 WeakPolarHBondContact O-CB 3.24Å; I430-Y434 PolarHBondContact O-N 2.87Å; E431-Y434 PolarHBondContact O-N 3.16Å; Y434-W569 HydrophobicContact CD2-CE3 4.09Å; Y434-W569 AromaticContact CD2-CH2 3.76Å; Y434-W569 HydrophobicContact CD2-CH2 3.76Å; Y434-W569 HydrophobicContact CD2-CZ2 4.23Å; Y434-W569 AromaticContact CD2-CZ3 3.67Å; Y434-W569 HydrophobicContact CD2-CZ3 3.67Å; Y434-W569 HydrophobicContact CE2-CE3 4.47Å; Y434-W569 HydrophobicContact CE2-CH2 4.34Å; Y434-W569 AromaticContact CE2-CZ3 3.94Å; Y434-W569 HydrophobicContact CE2-CZ3 3.94Å
435	L	98.4	Very high	98.2	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.066	C	C	.	.	I	π-helix	trans	-83.3	-35.8	-173.5	-59.1	177	0	0	0	113.3	S269 P270 W271 V325 F367 E431 D433	S269-L435 PolarHBondContact OG-O 2.83Å; S269-L435 VanDerWaalsContact OG-O 3.07Å; P270-L435 HydrophobicContact CG-CD2 4.2Å; W271-L435 PolarHBondContact NE1-O 3.38Å; W271-L435 VanDerWaalsContact NE1-O 3.09Å; V325-L435 HydrophobicContact CB-CD2 3.71Å; V325-L435 HydrophobicContact CG1-CD2 4.02Å; V325-L435 HydrophobicContact CG2-CD2 3.37Å; F367-L435 HydrophobicContact CB-CD1 3.93Å; F367-L435 HydrophobicContact CD1-CD1 4.46Å; F367-L435 HydrophobicContact CD2-CD1 4.02Å; F367-L435 HydrophobicContact CG-CD1 3.87Å; E431-L435 HydrophobicContact CB-CD1 4.06Å; E431-L435 HydrophobicContact CB-CG 4.5Å; E431-L435 WeakPolarHBondContact O-CB 3.27Å; E431-L435 WeakPolarHBondContact O-CG 3.43Å; E431-L435 PolarHBondContact O-N 2.87Å; D433-L435 PolarHBondContact O-N 3.07Å
436	F	98.8	Very high	98.2	Very high	1 Å²	1	11.5 Å²	11.5	0%	0.004	6%	0.061	C	C	.	.	I	π-helix	trans	-131.5	-62.4	-164.4	-59.5	-68.5	0	0	0	113.5	S264 W271 A359 D363 F367 T432 P439 T440 H482	S264-F436 WeakPolarHBondContact O-CD1 3.42Å; S264-F436 VanDerWaalsContact O-CE1 3.22Å; S264-F436 WeakPolarHBondContact O-CE1 3.34Å; W271-F436 AromaticContact CE2-CE1 3.8Å; W271-F436 HydrophobicContact CZ2-CD1 4.03Å; W271-F436 AromaticContact CZ2-CE1 3.57Å; W271-F436 HydrophobicContact CZ2-CE1 3.57Å; W271-F436 AromaticContact NE1-CE1 3.61Å; A359-F436 HydrophobicContact CB-CB 4.46Å; D363-F436 HydrophobicContact CB-CB 4.07Å; D363-F436 HydrophobicContact CB-CD2 3.68Å; D363-F436 HydrophobicContact CB-CE2 4.41Å; D363-F436 HydrophobicContact CB-CG 4.03Å; D363-F436 WeakPolarHBondContact O-CE2 3.3Å; F367-F436 AromaticContact CD2-CE2 3.82Å; F367-F436 HydrophobicContact CD2-CE2 3.82Å; F367-F436 HydrophobicContact CD2-CZ 4.13Å; F367-F436 AromaticContact CE2-CE2 3.52Å; F367-F436 HydrophobicContact CE2-CE2 3.52Å; F367-F436 AromaticContact CE2-CZ 3.38Å; F367-F436 HydrophobicContact CE2-CZ 3.38Å; F367-F436 HydrophobicContact CZ-CE2 4.37Å; F367-F436 AromaticContact CZ-CZ 3.84Å; F367-F436 HydrophobicContact CZ-CZ 3.84Å; T432-F436 PolarHBondContact O-N 2.86Å; F436-P439 WeakPolarHBondContact O-CD 3.23Å; F436-T440 VanDerWaalsContact O-CB 3.25Å; F436-T440 WeakPolarHBondContact O-CB 3.36Å; F436-T440 PolarHBondContact O-N 3.07Å; F436-T440 PolarHBondContact O-OG1 3.46Å; F436-H482 AromaticContact CE1-CE1 3.52Å; F436-H482 AromaticContact CZ-CE1 3.54Å; F436-H482 AromaticContact CZ-ND1 3.77Å
437	L	98.8	Very high	98.3	Very high	3 Å²	3	10.8 Å²	10.8	2%	0.016	6%	0.057	C	C	.	.	I	π-helix	trans	-67.1	-48.4	-166.5	-179.9	75.2	0	0	0	112.2	A359 T432 D433 T440 Q441 L460 L561 R562	A359-L437 HydrophobicContact CB-CB 4.32Å; A359-L437 HydrophobicContact CB-CD1 3.96Å; T432-L437 PolarHBondContact O-N 3.48Å; D433-L437 WeakPolarHBondContact OD1-CD2 3.29Å; L437-T440 WeakPolarHBondContact O-CB 3.43Å; L437-T440 PolarHBondContact O-N 2.78Å; L437-Q441 HydrophobicContact CD1-CG 4.47Å; L437-Q441 HydrophobicContact CG-CG 4.46Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 2.97Å; L437-L460 HydrophobicContact CD1-CD1 4.37Å; L437-L561 HydrophobicContact CD1-CD2 3.74Å; L437-L561 HydrophobicContact CD1-CG 4.22Å; L437-R562 HydrophobicContact CD2-CB 3.88Å; L437-R562 HydrophobicContact CD2-CG 3.96Å
438	I	98.6	Very high	98.3	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.041	7%	0.065	C	C	.	.	H	α-helix	trans	-67.5	-47	-176.5	-57.1	-52.7	0	0	0	111.5	D433 T440 Q441 A442 F565 V566 W569 T570	D433-I438 HydrophobicContact CB-CD1 4.32Å; D433-I438 HydrophobicContact CB-CG1 3.72Å; D433-I438 VanDerWaalsContact O-CB 3.24Å; D433-I438 WeakPolarHBondContact O-CB 3.48Å; D433-I438 VanDerWaalsContact O-CG1 3.23Å; D433-I438 WeakPolarHBondContact O-CG1 3.48Å; D433-I438 PolarHBondContact O-N 3.41Å; I438-T440 PolarHBondContact O-N 2.76Å; I438-Q441 PolarHBondContact O-N 3.29Å; I438-A442 WeakPolarHBondContact O-CB 3.47Å; I438-A442 PolarHBondContact O-N 3.31Å; I438-F565 HydrophobicContact CD1-CB 4.04Å; I438-V566 HydrophobicContact CD1-CB 4.16Å; I438-V566 HydrophobicContact CD1-CG2 3.47Å; I438-V566 VanDerWaalsContact CD1-CG2 3.47Å; I438-W569 HydrophobicContact CG1-CG 4.47Å; I438-W569 HydrophobicContact CG2-CB 3.71Å; I438-W569 HydrophobicContact CG2-CG 4.3Å; I438-T570 HydrophobicContact CG2-CG2 3.87Å
439	P	98.7	Very high	98.2	Very high	12 Å²	12	15.6 Å²	15.6	8%	0.078	9%	0.092	C	C	.	.	H	α-helix	trans	-53.2	-42.3	170.3	-28.7	35.9	0	0	0	113	V266 L268 D433 F436 A442 A443	V266-P439 VanDerWaalsContact CG2-C 3.47Å; V266-P439 HydrophobicContact CG2-CB 3.7Å; V266-P439 WeakPolarHBondContact CG2-O 3.49Å; L268-P439 HydrophobicContact CB-CB 4.21Å; D433-P439 WeakPolarHBondContact O-CD 3.25Å; F436-P439 WeakPolarHBondContact O-CD 3.23Å; P439-A442 PolarHBondContact O-N 2.82Å; P439-A443 WeakPolarHBondContact O-CB 3.47Å; P439-A443 PolarHBondContact O-N 3.17Å
440	T	98.9	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.6	-45.8	178.8	-61.2	0	0	0	0	111.7	V266 A357 F436 L437 I438 A442 A443 L444	V266-T440 HydrophobicContact CG1-CG2 4.46Å; A357-T440 HydrophobicContact CB-CG2 3.75Å; F436-T440 VanDerWaalsContact O-CB 3.25Å; F436-T440 WeakPolarHBondContact O-CB 3.36Å; F436-T440 PolarHBondContact O-N 3.07Å; F436-T440 PolarHBondContact O-OG1 3.46Å; L437-T440 WeakPolarHBondContact O-CB 3.43Å; L437-T440 PolarHBondContact O-N 2.78Å; I438-T440 PolarHBondContact O-N 2.76Å; T440-A442 PolarHBondContact O-N 3.49Å; T440-A443 PolarHBondContact O-N 2.82Å; T440-L444 HydrophobicContact CG2-CD1 4.12Å; T440-L444 WeakPolarHBondContact O-CG 3.48Å; T440-L444 PolarHBondContact O-N 2.96Å
441	Q	98.3	Very high	97.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	11%	0.114	C	C	.	.	H	α-helix	trans	-61.7	-43.7	175.1	-69.2	-60.3	-63.9	0	0	111.1	L437 I438 A443 L444 Y445 S458 V566	L437-Q441 HydrophobicContact CD1-CG 4.47Å; L437-Q441 HydrophobicContact CG-CG 4.46Å; L437-Q441 WeakPolarHBondContact O-CG 3.25Å; L437-Q441 PolarHBondContact O-N 2.97Å; I438-Q441 PolarHBondContact O-N 3.29Å; Q441-A443 PolarHBondContact O-N 2.9Å; Q441-L444 WeakPolarHBondContact O-CB 3.25Å; Q441-L444 PolarHBondContact O-N 3.34Å; Q441-Y445 HydrophobicContact CB-CE2 4.43Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.32Å; Q441-Y445 PolarHBondContact O-N 3.27Å; Q441-S458 PolarHBondContact NE2-OG 3.33Å; Q441-V566 HydrophobicContact CB-CG1 4.32Å; Q441-V566 HydrophobicContact CB-CG2 3.95Å; Q441-V566 HydrophobicContact CG-CG2 4.01Å
442	A	97.9	Very high	97.5	Very high	21 Å²	21	22.4 Å²	22.4	17%	0.174	14%	0.142	C	C	.	.	H	α-helix	trans	-59.3	-44.2	175.8	0	0	0	0	0	112.2	L268 I438 P439 T440 L444 Y445 L446 T570	L268-A442 HydrophobicContact CD1-CB 3.94Å; I438-A442 WeakPolarHBondContact O-CB 3.47Å; I438-A442 PolarHBondContact O-N 3.31Å; P439-A442 PolarHBondContact O-N 2.82Å; T440-A442 PolarHBondContact O-N 3.49Å; A442-L444 VanDerWaalsContact C-N 3.34Å; A442-L444 PolarHBondContact O-N 3Å; A442-Y445 PolarHBondContact O-N 3.05Å; A442-L446 WeakPolarHBondContact O-CG 3.28Å; A442-L446 PolarHBondContact O-N 3.44Å; A442-T570 HydrophobicContact CB-CG2 4.17Å
443	A	98.6	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.7	-39.5	176.2	0	0	0	0	0	112.2	V266 L268 F347 P439 T440 Q441 L446 H447	V266-A443 HydrophobicContact CB-CB 4.08Å; V266-A443 HydrophobicContact CG1-CB 4.08Å; V266-A443 HydrophobicContact CG2-CB 4.09Å; L268-A443 HydrophobicContact CD1-CB 4.07Å; F347-A443 HydrophobicContact CE1-CB 4.3Å; F347-A443 VanDerWaalsContact CE1-O 3.32Å; F347-A443 WeakPolarHBondContact CE1-O 3.41Å; F347-A443 HydrophobicContact CZ-CB 3.84Å; P439-A443 WeakPolarHBondContact O-CB 3.47Å; P439-A443 PolarHBondContact O-N 3.17Å; T440-A443 PolarHBondContact O-N 2.82Å; Q441-A443 PolarHBondContact O-N 2.9Å; A443-L446 PolarHBondContact O-N 2.75Å; A443-H447 WeakPolarHBondContact O-CB 3.14Å; A443-H447 PolarHBondContact O-N 2.84Å
444	L	98.5	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.1	-40.6	175	-72.5	162	0	0	0	112	A357 T440 Q441 A442 A448 T456 Y457 S458 F538	A357-L444 HydrophobicContact CB-CD1 4.37Å; A357-L444 HydrophobicContact CB-CD2 3.88Å; A357-L444 HydrophobicContact CB-CG 4.07Å; T440-L444 HydrophobicContact CG2-CD1 4.12Å; T440-L444 WeakPolarHBondContact O-CG 3.48Å; T440-L444 PolarHBondContact O-N 2.96Å; Q441-L444 WeakPolarHBondContact O-CB 3.25Å; Q441-L444 PolarHBondContact O-N 3.34Å; A442-L444 VanDerWaalsContact C-N 3.34Å; A442-L444 PolarHBondContact O-N 3Å; L444-A448 VanDerWaalsContact O-CB 3.28Å; L444-A448 WeakPolarHBondContact O-CB 3.39Å; L444-A448 PolarHBondContact O-N 2.64Å; L444-T456 HydrophobicContact CB-CG2 4.32Å; L444-T456 HydrophobicContact CD2-CG2 3.45Å; L444-T456 VanDerWaalsContact CD2-CG2 3.45Å; L444-Y457 WeakPolarHBondContact CD2-O 3.43Å; L444-S458 WeakPolarHBondContact CD1-OG 3.32Å; L444-F538 HydrophobicContact CB-CD1 4.12Å; L444-F538 HydrophobicContact CB-CE1 3.81Å; L444-F538 HydrophobicContact CB-CZ 4.04Å
445	Y	97.3	Very high	97.2	Very high	52 Å²	52	27.6 Å²	27.6	20%	0.204	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-45.6	173.5	-75.5	-69.5	0	0	0	112.4	Q441 A442 A448 S449 F538 H543 V566	Q441-Y445 HydrophobicContact CB-CE2 4.43Å; Q441-Y445 WeakPolarHBondContact O-CD2 3.32Å; Q441-Y445 PolarHBondContact O-N 3.27Å; A442-Y445 PolarHBondContact O-N 3.05Å; Y445-A448 PolarHBondContact O-N 3.34Å; Y445-S449 WeakPolarHBondContact O-CB 3.48Å; Y445-S449 PolarHBondContact O-N 2.83Å; Y445-S449 PolarHBondContact O-OG 2.96Å; Y445-S449 VanDerWaalsContact O-OG 3.14Å; Y445-F538 HydrophobicContact CD1-CE1 4.09Å; Y445-F538 AromaticContact CD1-CZ 3.93Å; Y445-F538 HydrophobicContact CD1-CZ 3.93Å; Y445-F538 HydrophobicContact CD2-CZ 4.36Å; Y445-F538 HydrophobicContact CE1-CE1 4.28Å; Y445-F538 AromaticContact CE1-CZ 3.74Å; Y445-F538 HydrophobicContact CE1-CZ 3.74Å; Y445-F538 HydrophobicContact CE2-CZ 4.15Å; Y445-F538 HydrophobicContact CG-CE1 4.41Å; Y445-F538 HydrophobicContact CG-CZ 4.23Å; Y445-F538 AromaticContact CZ-CZ 3.84Å; Y445-H543 AromaticContact CE1-CE1 3.52Å; Y445-H543 AromaticContact CE1-ND1 3.29Å; Y445-H543 VanDerWaalsContact CE1-ND1 3.29Å; Y445-H543 WeakPolarHBondContact CE1-ND1 3.2Å; Y445-H543 AromaticContact CZ-CE1 3.85Å; Y445-H543 AromaticContact CZ-ND1 3.37Å; Y445-H543 PolarHBondContact OH-CE1 3.29Å; Y445-H543 PolarHBondContact OH-ND1 2.9Å; Y445-V566 HydrophobicContact CE2-CG1 4.15Å
446	L	97.5	Very high	97.2	Very high	46 Å²	46	27.5 Å²	27.5	24%	0.241	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-39.8	178.7	-70.8	174.8	0	0	0	111.9	L268 F347 A442 A443 S449 N450	L268-L446 HydrophobicContact CD1-CD1 3.8Å; F347-L446 HydrophobicContact CB-CB 4.3Å; F347-L446 HydrophobicContact CD1-CB 3.93Å; F347-L446 HydrophobicContact CD2-CB 3.6Å; F347-L446 HydrophobicContact CD2-CD1 3.76Å; F347-L446 HydrophobicContact CD2-CG 4.3Å; F347-L446 HydrophobicContact CE1-CB 4.12Å; F347-L446 HydrophobicContact CE2-CB 3.82Å; F347-L446 HydrophobicContact CE2-CD1 3.57Å; F347-L446 HydrophobicContact CE2-CG 4.38Å; F347-L446 HydrophobicContact CG-CB 3.66Å; F347-L446 HydrophobicContact CZ-CB 4.07Å; F347-L446 HydrophobicContact CZ-CD1 4.32Å; A442-L446 WeakPolarHBondContact O-CG 3.28Å; A442-L446 PolarHBondContact O-N 3.44Å; A443-L446 PolarHBondContact O-N 2.75Å; L446-S449 PolarHBondContact O-N 2.88Å; L446-S449 PolarHBondContact O-OG 2.74Å; L446-S449 VanDerWaalsContact O-OG 3.06Å; L446-N450 WeakPolarHBondContact O-CB 3.42Å; L446-N450 PolarHBondContact O-N 3.33Å; L446-N450 VanDerWaalsContact O-N 3.13Å; L446-N450 PolarHBondContact O-ND2 2.95Å
447	H	98.3	Very high	97.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.8	-49.9	174.1	-175.1	-92.7	0	0	0	111.3	F347 A350 V353 Y355 A443 S449 N450 S451 T456	F347-H447 HydrophobicContact CD1-CB 3.92Å; F347-H447 HydrophobicContact CE1-CB 4.07Å; A350-H447 PolarHBondContact O-NE2 3.24Å; V353-H447 PolarHBondContact O-CE1 2.93Å; V353-H447 VanDerWaalsContact O-CE1 3.27Å; V353-H447 PolarHBondContact O-NE2 3.12Å; Y355-H447 VanDerWaalsContact CB-CE1 3.44Å; Y355-H447 WeakPolarHBondContact CB-CE1 3.29Å; Y355-H447 WeakPolarHBondContact CB-NE2 3.27Å; Y355-H447 HydrophobicContact CD1-CB 4Å; Y355-H447 AromaticContact CD1-CD2 3.96Å; Y355-H447 AromaticContact CD1-CG 3.78Å; A443-H447 WeakPolarHBondContact O-CB 3.14Å; A443-H447 PolarHBondContact O-N 2.84Å; H447-S449 VanDerWaalsContact C-N 3.28Å; H447-S449 PolarHBondContact O-N 2.78Å; H447-N450 PolarHBondContact O-N 3.21Å; H447-S451 WeakPolarHBondContact O-CB 3.4Å; H447-S451 PolarHBondContact O-N 3.18Å; H447-T456 HydrophobicContact CB-CG2 4.49Å; H447-T456 PolarHBondContact ND1-OG1 3.35Å
448	A	97.1	Very high	97.2	Very high	21 Å²	21	27.7 Å²	27.7	17%	0.174	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-27	-179.6	0	0	0	0	0	113.8	L444 Y445 S451 T456 F538	L444-A448 VanDerWaalsContact O-CB 3.28Å; L444-A448 WeakPolarHBondContact O-CB 3.39Å; L444-A448 PolarHBondContact O-N 2.64Å; Y445-A448 PolarHBondContact O-N 3.34Å; A448-S451 PolarHBondContact O-OG 2.85Å; A448-T456 HydrophobicContact CB-CG2 4.41Å; A448-F538 HydrophobicContact CB-CD1 4.14Å; A448-F538 HydrophobicContact CB-CE1 4.3Å
449	S	96.1	Very high	97.2	Very high	83 Å²	83	27.3 Å²	27.3	58%	0.58	17%	0.171	S	C	*	.	H	α-helix	trans	-83.7	-22.9	177.6	66.2	0	0	0	0	113.6	Y445 L446 H447	Y445-S449 WeakPolarHBondContact O-CB 3.48Å; Y445-S449 PolarHBondContact O-N 2.83Å; Y445-S449 PolarHBondContact O-OG 2.96Å; Y445-S449 VanDerWaalsContact O-OG 3.14Å; L446-S449 PolarHBondContact O-N 2.88Å; L446-S449 PolarHBondContact O-OG 2.74Å; L446-S449 VanDerWaalsContact O-OG 3.06Å; H447-S449 VanDerWaalsContact C-N 3.28Å; H447-S449 PolarHBondContact O-N 2.78Å
450	N	96.5	Very high	97.2	Very high	64 Å²	64	27.6 Å²	27.6	34%	0.342	17%	0.172	S	C	.	.	H	α-helix	trans	-103.3	0.2	177.8	-71.5	-89.2	0	0	0	113	F347 A351 L446 H447 G452	F347-N450 HydrophobicContact CB-CB 4.09Å; A351-N450 VanDerWaalsContact CB-O 3.27Å; A351-N450 WeakPolarHBondContact CB-O 3.4Å; L446-N450 WeakPolarHBondContact O-CB 3.42Å; L446-N450 PolarHBondContact O-N 3.33Å; L446-N450 VanDerWaalsContact O-N 3.13Å; L446-N450 PolarHBondContact O-ND2 2.95Å; H447-N450 PolarHBondContact O-N 3.21Å; N450-G452 PolarHBondContact O-N 2.89Å
451	S	91.6	Very high	97.2	Very high	43 Å²	43	27.6 Å²	27.6	30%	0.301	17%	0.172	S	C	.	.			trans	-69.3	130.9	-176	63.2	0	0	0	0	111.6	H447 A448 G454	H447-S451 WeakPolarHBondContact O-CB 3.4Å; H447-S451 PolarHBondContact O-N 3.18Å; A448-S451 PolarHBondContact O-OG 2.85Å; S451-G454 VanDerWaalsContact CB-O 3.28Å; S451-G454 WeakPolarHBondContact CB-O 3.21Å
452	G	92.3	Very high	97.2	Very high	57 Å²	57	28 Å²	28	59%	0.588	18%	0.175	S	C	*	.	S	Bend	trans	-89.3	-82.4	166.2	0	0	0	0	0	108.8	A351 N450	A351-G452 PolarHBondContact O-N 2.87Å; N450-G452 PolarHBondContact O-N 2.89Å
453	T	94.8	Very high	97.1	Very high	95 Å²	95	27.1 Å²	27.1	58%	0.583	17%	0.167	S	C	*	.	S	Bend	trans	-102.1	-10.8	176.3	62	0	0	0	0	114.4	A351 D352	A351-T453 PolarHBondContact O-N 2.87Å; D352-T453 PolarHBondContact OD1-N 3.04Å; D352-T453 PolarHBondContact OD1-OG1 3.33Å
454	G	96.8	Very high	96.7	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	18%	0.184	C	C	.	.			trans	-68.4	134.9	179.7	0	0	0	0	0	113.1	A351 V353 S451	A351-G454 PolarHBondContact O-N 3.15Å; V353-G454 WeakPolarHBondContact O-CA 3.39Å; S451-G454 VanDerWaalsContact CB-O 3.28Å; S451-G454 WeakPolarHBondContact CB-O 3.21Å
455	R	98	Very high	95.8	Very high	65 Å²	65	30.9 Å²	30.9	25%	0.245	19%	0.19	C	C	.	.			trans	-93.8	150.4	171.4	-68.6	161.2	-73.3	-178.7	-5.1	111.1	D354 Y355 Y457 T521 G522	D354-R455 CarbonylContact C-O 3.57Å; D354-R455 WeakPolarHBondContact CA-O 3.46Å; D354-R455 VanDerWaalsContact CG-NH2 3.34Å; D354-R455 WeakPolarHBondContact OD1-CB 3.39Å; D354-R455 IonicContact OD1-CZ 3.76Å; D354-R455 PolarHBondContact OD1-N 2.95Å; D354-R455 IonicContact OD1-NE 3.91Å; D354-R455 PolarHBondContact OD1-NE 3.25Å; D354-R455 IonicContact OD1-NH2 2.84Å; D354-R455 PolarHBondContact OD1-NH2 3.24Å; D354-R455 IonicContact OD2-CZ 3.18Å; D354-R455 IonicContact OD2-NE 3.24Å; D354-R455 IonicContact OD2-NH2 3.47Å; D354-R455 PolarHBondContact OD2-NH2 2.94Å; Y355-R455 PolarHBondContact N-O 3.14Å; R455-Y457 HydrophobicContact CB-CD2 4.47Å; R455-Y457 HydrophobicContact CB-CE2 3.63Å; R455-T521 PolarHBondContact NH1-O 2.93Å; R455-T521 PolarHBondContact NH2-O 3.38Å; R455-G522 PolarHBondContact NE-O 3.31Å; R455-G522 VanDerWaalsContact NH1-C 3.32Å; R455-G522 PolarHBondContact NH1-O 3.06Å; R455-G522 PolarHBondContact NH2-O 3.28Å
456	T	98.7	Very high	94.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.8	-177.8	-45.8	0	0	0	0	110.2	Y355 L444 H447 A448 Q537 F538	Y355-T456 CarbonylContact O-C 3.51Å; Y355-T456 VanDerWaalsContact O-CA 3.29Å; Y355-T456 WeakPolarHBondContact O-CA 3.23Å; L444-T456 HydrophobicContact CB-CG2 4.32Å; L444-T456 HydrophobicContact CD2-CG2 3.45Å; L444-T456 VanDerWaalsContact CD2-CG2 3.45Å; H447-T456 HydrophobicContact CB-CG2 4.49Å; H447-T456 PolarHBondContact ND1-OG1 3.35Å; A448-T456 HydrophobicContact CB-CG2 4.41Å; T456-Q537 WeakPolarHBondContact O-CG 3.34Å; T456-F538 HydrophobicContact CG2-CB 4.11Å; T456-F538 HydrophobicContact CG2-CD1 3.84Å; T456-F538 HydrophobicContact CG2-CG 4.33Å; T456-F538 WeakPolarHBondContact O-CB 3.49Å; T456-F538 PolarHBondContact O-N 3.49Å
457	Y	98.8	Very high	92.8	Very high	7 Å²	7	39.1 Å²	39.1	3%	0.027	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.3	176.2	-60.8	-91	0	0	0	111.3	Y355 M356 A357 L444 R455 F518 G522 P524 W535 Q537	Y355-Y457 PolarHBondContact O-N 3.45Å; M356-Y457 WeakPolarHBondContact CA-O 3.41Å; M356-Y457 HydrophobicContact CG-CD2 4.2Å; M356-Y457 HydrophobicContact CG-CG 4.42Å; A357-Y457 PolarHBondContact N-O 3.38Å; L444-Y457 WeakPolarHBondContact CD2-O 3.43Å; R455-Y457 HydrophobicContact CB-CD2 4.47Å; R455-Y457 HydrophobicContact CB-CE2 3.63Å; Y457-F518 HydrophobicContact CD2-CD2 4.34Å; Y457-F518 AromaticContact CD2-CE2 3.94Å; Y457-F518 HydrophobicContact CD2-CE2 3.94Å; Y457-F518 HydrophobicContact CE2-CD2 4.37Å; Y457-F518 HydrophobicContact CE2-CE2 4.08Å; Y457-G522 WeakPolarHBondContact CE2-O 3.42Å; Y457-P524 HydrophobicContact CD1-CG 3.87Å; Y457-P524 HydrophobicContact CD2-CG 4.14Å; Y457-P524 VanDerWaalsContact CE1-CD 3.46Å; Y457-P524 HydrophobicContact CE1-CG 4.01Å; Y457-P524 HydrophobicContact CE2-CG 4.27Å; Y457-P524 HydrophobicContact CG-CG 3.94Å; Y457-W535 AromaticContact CD1-CD1 3.76Å; Y457-W535 HydrophobicContact CD1-CG 4.19Å; Y457-Q537 HydrophobicContact CE1-CB 4.19Å
458	S	98.7	Very high	90.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.8	177.2	-171.4	0	0	0	0	110.5	A357 Q441 L444 W535 F545 V546	A357-S458 WeakPolarHBondContact O-CA 3.41Å; Q441-S458 PolarHBondContact NE2-OG 3.33Å; L444-S458 WeakPolarHBondContact CD1-OG 3.32Å; S458-W535 WeakPolarHBondContact O-CZ2 3.41Å; S458-W535 PolarHBondContact O-NE1 2.9Å; S458-F545 VanDerWaalsContact O-CA 3.26Å; S458-F545 WeakPolarHBondContact O-CA 3.21Å; S458-V546 PolarHBondContact O-N 3.32Å; S458-V546 VanDerWaalsContact O-N 3.12Å
459	Y	98.8	Very high	89.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	163.2	165.8	72.2	-85.8	0	0	0	113.5	Q263 A357 G358 F461 W515 W535 V546 I548	Q263-Y459 WeakPolarHBondContact CA-OH 3.19Å; Q263-Y459 VanDerWaalsContact CB-OH 3.28Å; Q263-Y459 WeakPolarHBondContact CB-OH 3.39Å; Q263-Y459 VanDerWaalsContact CG-OH 3.27Å; Q263-Y459 WeakPolarHBondContact CG-OH 3.3Å; A357-Y459 PolarHBondContact O-N 3.23Å; A357-Y459 VanDerWaalsContact O-N 3.11Å; G358-Y459 VanDerWaalsContact CA-CE1 3.44Å; G358-Y459 WeakPolarHBondContact CA-O 3.19Å; G358-Y459 VanDerWaalsContact N-CE1 3.32Å; Y459-F461 HydrophobicContact CD2-CB 4.26Å; Y459-F461 HydrophobicContact CE2-CB 4.05Å; Y459-W515 HydrophobicContact CD1-CH2 4.16Å; Y459-W515 AromaticContact CE1-CH2 3.87Å; Y459-W515 HydrophobicContact CE1-CH2 3.87Å; Y459-W515 HydrophobicContact CE1-CZ2 4.01Å; Y459-W515 HydrophobicContact CE2-CH2 4.3Å; Y459-W515 HydrophobicContact CG-CH2 4.49Å; Y459-W515 AromaticContact CZ-CH2 3.97Å; Y459-W535 VanDerWaalsContact CB-CZ2 3.48Å; Y459-W535 AromaticContact CD1-CH2 3.83Å; Y459-W535 HydrophobicContact CD1-CH2 3.83Å; Y459-W535 AromaticContact CD1-CZ2 4Å; Y459-W535 HydrophobicContact CD1-CZ2 4Å; Y459-W535 AromaticContact CG-CH2 3.99Å; Y459-W535 HydrophobicContact CG-CH2 3.99Å; Y459-W535 HydrophobicContact CG-CZ2 4.15Å; Y459-V546 CarbonylContact C-O 3.54Å; Y459-V546 WeakPolarHBondContact CA-O 3.23Å; Y459-V546 VanDerWaalsContact CB-O 3.3Å; Y459-V546 WeakPolarHBondContact CB-O 3.43Å; Y459-I548 HydrophobicContact CD2-CD1 4.08Å; Y459-I548 HydrophobicContact CG-CD1 4.12Å
460	L	98.8	Very high	87.2	Confident	19 Å²	19	44.3 Å²	44.3	10%	0.099	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.7	163.9	-175.9	73.3	0	0	0	107.4	A359 D361 L437 F545 V546 E547 I548 L561	A359-L460 CarbonylContact O-C 3.52Å; A359-L460 WeakPolarHBondContact O-CA 3.03Å; D361-L460 HydrophobicContact CB-CD1 4.27Å; D361-L460 HydrophobicContact CB-CD2 4.19Å; D361-L460 HydrophobicContact CB-CG 4.27Å; L437-L460 HydrophobicContact CD1-CD1 4.37Å; L460-F545 HydrophobicContact CB-CD2 4.04Å; L460-F545 HydrophobicContact CB-CE2 4.08Å; L460-F545 HydrophobicContact CD2-CE2 4.49Å; L460-V546 PolarHBondContact N-O 3.19Å; L460-E547 CarbonylContact O-C 3.58Å; L460-E547 VanDerWaalsContact O-CA 3.25Å; L460-E547 WeakPolarHBondContact O-CA 3.4Å; L460-I548 PolarHBondContact O-N 3.05Å; L460-L561 HydrophobicContact CB-CD2 4.2Å; L460-L561 HydrophobicContact CD1-CD2 4.4Å; L460-L561 HydrophobicContact CD2-CD1 4.06Å
461	F	98.7	Very high	85.4	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.2	173.3	177.7	-100.3	0	0	0	109.4	A359 N360 D361 Y459 E463 A480 D484 D485 Y488 M511 I548	A359-F461 PolarHBondContact O-N 3.36Å; N360-F461 CarbonylContact C-O 3.46Å; N360-F461 WeakPolarHBondContact CA-O 3.35Å; N360-F461 HydrophobicContact CB-CD1 4.49Å; N360-F461 WeakPolarHBondContact OD1-CB 3.35Å; D361-F461 PolarHBondContact N-O 2.85Å; Y459-F461 HydrophobicContact CD2-CB 4.26Å; Y459-F461 HydrophobicContact CE2-CB 4.05Å; F461-E463 HydrophobicContact CE1-CB 4.01Å; F461-E463 HydrophobicContact CE2-CB 3.81Å; F461-E463 HydrophobicContact CZ-CB 3.41Å; F461-E463 VanDerWaalsContact CZ-CB 3.41Å; F461-E463 HydrophobicContact CZ-CG 4.34Å; F461-A480 HydrophobicContact CD1-CB 3.49Å; F461-A480 VanDerWaalsContact CD1-CB 3.49Å; F461-A480 HydrophobicContact CE1-CB 3.65Å; F461-D484 HydrophobicContact CE1-CB 4.23Å; F461-D485 HydrophobicContact CD1-CB 3.83Å; F461-D485 HydrophobicContact CD2-CB 4.43Å; F461-D485 HydrophobicContact CE1-CB 4.06Å; F461-D485 HydrophobicContact CG-CB 4.03Å; F461-D485 HydrophobicContact CZ-CB 4.44Å; F461-Y488 HydrophobicContact CE1-CD2 4.23Å; F461-Y488 HydrophobicContact CE1-CE2 4.17Å; F461-Y488 HydrophobicContact CE2-CD2 4.05Å; F461-Y488 HydrophobicContact CE2-CE2 4.47Å; F461-Y488 HydrophobicContact CE2-CG 4.32Å; F461-Y488 AromaticContact CZ-CD2 3.37Å; F461-Y488 HydrophobicContact CZ-CD2 3.37Å; F461-Y488 AromaticContact CZ-CE2 3.48Å; F461-Y488 HydrophobicContact CZ-CE2 3.48Å; F461-Y488 VanDerWaalsContact CZ-CE2 3.48Å; F461-Y488 HydrophobicContact CZ-CG 4.06Å; F461-M511 HydrophobicContact CD2-CE 4.22Å; F461-M511 HydrophobicContact CD2-SD 3.81Å; F461-M511 HydrophobicContact CE2-SD 3.65Å; F461-I548 HydrophobicContact CD2-CB 4.21Å; F461-I548 HydrophobicContact CD2-CG2 4.14Å; F461-I548 WeakPolarHBondContact CD2-O 3.43Å
462	S	97.4	Very high	84.1	Confident	11 Å²	11	48.5 Å²	48.5	8%	0.077	28%	0.283	C	S	.	.			trans	-136.2	15.9	-170.5	66.3	0	0	0	0	114.1	P464 E547 I548 N549	S462-P464 WeakPolarHBondContact O-CD 3.31Å; S462-E547 VanDerWaalsContact CB-OE1 3.28Å; S462-E547 WeakPolarHBondContact CB-OE1 3.35Å; S462-E547 VanDerWaalsContact OG-CD 3.31Å; S462-E547 WeakPolarHBondContact OG-CG 3.11Å; S462-E547 PolarHBondContact OG-OE1 3.26Å; S462-I548 PolarHBondContact N-O 3.13Å; S462-N549 PolarHBondContact OG-ND2 3.48Å
463	E	95.7	Very high	83.1	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.009	29%	0.291	C	S	.	.			trans	-66.4	114.7	175.3	-178.5	59.6	-156.5	0	0	109.8	F461 N465 A480 Y488 R503 H504 A507 N549 G550	F461-E463 HydrophobicContact CE1-CB 4.01Å; F461-E463 HydrophobicContact CE2-CB 3.81Å; F461-E463 HydrophobicContact CZ-CB 3.41Å; F461-E463 VanDerWaalsContact CZ-CB 3.41Å; F461-E463 HydrophobicContact CZ-CG 4.34Å; E463-N465 PolarHBondContact O-N 3.33Å; E463-A480 WeakPolarHBondContact O-CB 3.24Å; E463-Y488 HydrophobicContact CG-CE1 4Å; E463-Y488 HydrophobicContact CG-CE2 4.41Å; E463-Y488 WeakPolarHBondContact CG-OH 3.37Å; E463-R503 IonicContact OE1-CZ 3.44Å; E463-R503 IonicContact OE1-NE 3.64Å; E463-R503 PolarHBondContact OE1-NE 2.86Å; E463-R503 IonicContact OE1-NH2 3.21Å; E463-R503 PolarHBondContact OE1-NH2 3Å; E463-H504 IonicContact OE1-CD2 3.72Å; E463-H504 PolarHBondContact OE1-CD2 2.98Å; E463-H504 VanDerWaalsContact OE1-CD2 3.32Å; E463-H504 IonicContact OE1-NE2 3.18Å; E463-A507 HydrophobicContact CG-CB 4.44Å; E463-N549 HydrophobicContact CB-CB 4.25Å; E463-N549 WeakPolarHBondContact OE2-CB 3.45Å; E463-G550 PolarHBondContact OE2-N 2.85Å
464	P	91.1	Very high	82.3	Confident	52 Å²	52	49.2 Å²	49.2	34%	0.338	27%	0.273	S	S	.	.			trans	-59.2	137.6	-174	-26.5	34.8	0	0	0	112.9	S462 R466	S462-P464 WeakPolarHBondContact O-CD 3.31Å; P464-R466 PolarHBondContact O-N 3.42Å
465	N	80.1	Confident	81.5	Confident	26 Å²	26	50.2 Å²	50.2	14%	0.139	28%	0.278	C	S	.	.			trans	-62.2	131.6	179.7	-160.1	-27.1	0	0	0	111.5	E463 M467 Y474 G479 D484	E463-N465 PolarHBondContact O-N 3.33Å; N465-M467 WeakPolarHBondContact OD1-CA 3.23Å; N465-M467 PolarHBondContact OD1-N 3.22Å; N465-M467 PolarHBondContact OD1-O 2.95Å; N465-Y474 HydrophobicContact CB-CD2 4.14Å; N465-Y474 HydrophobicContact CB-CE2 4.2Å; N465-Y474 WeakPolarHBondContact ND2-CE2 3.27Å; N465-G479 PolarHBondContact N-O 3.19Å; N465-D484 VanDerWaalsContact CB-OD2 3.24Å; N465-D484 WeakPolarHBondContact CB-OD2 3.27Å; N465-D484 PolarHBondContact ND2-OD1 2.83Å; N465-D484 PolarHBondContact ND2-OD2 3.11Å
466	R	69.1	Low	80.9	Confident	153 Å²	153	53.1 Å²	53.1	58%	0.577	31%	0.309	S	S	*	.			trans	-97.4	-31.6	173.7	180	-176	169.3	111.6	-1.8	112.6	P464 G499	P464-R466 PolarHBondContact O-N 3.42Å; R466-G499 PolarHBondContact NE-O 3.26Å
467	M	61.1	Low	80.4	Confident	118 Å²	118	54.7 Å²	54.7	58%	0.581	31%	0.314	S	S	*	.	S	Bend	trans	-80.2	133.6	-178.9	-65.9	-174.7	58.8	0	0	108.5	N465 Y474	N465-M467 WeakPolarHBondContact OD1-CA 3.23Å; N465-M467 PolarHBondContact OD1-N 3.22Å; N465-M467 PolarHBondContact OD1-O 2.95Å; M467-Y474 WeakPolarHBondContact O-CD2 3.4Å; M467-Y474 WeakPolarHBondContact O-CE2 3.12Å
468	G	58.3	Low	79.9	Confident	51 Å²	51	55 Å²	55	53%	0.526	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-59.5	149.7	172.9	0	0	0	0	0	110.5
469	G	59.7	Low	79.7	Confident	13 Å²	13	55.2 Å²	55.2	13%	0.134	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-63.4	166.8	176.6	0	0	0	0	0	112.7	L471 G472 Y474	G469-L471 PolarHBondContact O-N 3.42Å; G469-G472 WeakPolarHBondContact CA-O 3.31Å; G469-G472 PolarHBondContact N-O 2.89Å; G469-G472 PolarHBondContact O-N 2.04Å; G469-G472 VanDerWaalsContact O-N 3.14Å; G469-Y474 VanDerWaalsContact CA-CE1 3.49Å; G469-Y474 WeakPolarHBondContact CA-OH 3.47Å
470	L	57.3	Low	79.5	Confident	151 Å²	151	55.2 Å²	55.2	79%	0.791	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-29.4	-176.1	-172.1	66.8	0	0	0	113.6
471	L	58.4	Low	79.3	Confident	162 Å²	162	54.4 Å²	54.4	85%	0.848	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.1	-1.5	-174.1	-59.6	177.5	0	0	0	114.5	G469	G469-L471 PolarHBondContact O-N 3.42Å
472	G	63.6	Low	79.2	Confident	33 Å²	33	55.6 Å²	55.6	34%	0.34	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	161.2	173.3	-176.6	0	0	0	0	0	113.9	G469	G469-G472 WeakPolarHBondContact CA-O 3.31Å; G469-G472 PolarHBondContact N-O 2.89Å; G469-G472 PolarHBondContact O-N 2.04Å; G469-G472 VanDerWaalsContact O-N 3.14Å
473	P	70.6	Confident	79.1	Confident	115 Å²	115	56.7 Å²	56.7	75%	0.747	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-63.3	138	177.1	28.1	-33.7	0	0	0	110.6
474	Y	78.6	Confident	79.1	Confident	52 Å²	52	57.4 Å²	57.4	20%	0.204	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-68.9	153.5	176.3	-72	-56.1	0	0	0	112.1	H365 N465 M467 G469 M478 D481	H365-Y474 AromaticContact CE1-CD1 3.41Å; H365-Y474 VanDerWaalsContact CE1-CD1 3.41Å; H365-Y474 WeakPolarHBondContact CE1-CD1 3.44Å; H365-Y474 AromaticContact CE1-CE1 3.24Å; H365-Y474 WeakPolarHBondContact CE1-CE1 3.36Å; H365-Y474 AromaticContact ND1-CE1 3.51Å; N465-Y474 HydrophobicContact CB-CD2 4.14Å; N465-Y474 HydrophobicContact CB-CE2 4.2Å; N465-Y474 WeakPolarHBondContact ND2-CE2 3.27Å; M467-Y474 WeakPolarHBondContact O-CD2 3.4Å; M467-Y474 WeakPolarHBondContact O-CE2 3.12Å; G469-Y474 VanDerWaalsContact CA-CE1 3.49Å; G469-Y474 WeakPolarHBondContact CA-OH 3.47Å; Y474-M478 HydrophobicContact CD1-CG 4.27Å; Y474-M478 HydrophobicContact CD2-CG 4.33Å; Y474-M478 HydrophobicContact CG-CB 4.49Å; Y474-M478 HydrophobicContact CG-CG 3.94Å; Y474-D481 VanDerWaalsContact CZ-OD2 3.28Å; Y474-D481 PolarHBondContact OH-OD2 3.46Å
475	P	80.8	Confident	79.4	Confident	24 Å²	24	55 Å²	55	16%	0.156	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-58.5	152.7	168.5	-22	33.6	0	0	0	112.2	W477 M478	P475-W477 HydrophobicContact CB-CD2 3.94Å; P475-W477 HydrophobicContact CB-CG 4.1Å; P475-W477 HydrophobicContact CB-CZ2 3.8Å; P475-W477 HydrophobicContact CG-CH2 4.3Å; P475-W477 HydrophobicContact CG-CZ2 3.65Å; P475-W477 PolarHBondContact O-N 3.26Å; P475-M478 WeakPolarHBondContact O-CB 3.49Å; P475-M478 PolarHBondContact O-N 3.18Å; P475-M478 VanDerWaalsContact O-N 3.13Å
476	S	84.3	Confident	80.3	Confident	127 Å²	127	54 Å²	54	89%	0.888	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.1	-178.3	59.1	0	0	0	0	114.7	M478	S476-M478 VanDerWaalsContact C-N 3.35Å
477	W	88.2	Confident	81.5	Confident	32 Å²	32	47.6 Å²	47.6	12%	0.121	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	4.1	-179	55.4	-105.8	0	0	0	113.6	M362 I375 E421 K424 K425 V428 P475	M362-W477 HydrophobicContact CE-CE3 4.12Å; M362-W477 HydrophobicContact CE-CZ3 4.44Å; M362-W477 WeakPolarHBondContact CE-O 3.35Å; M362-W477 HydrophobicContact SD-CE3 4.13Å; M362-W477 HydrophobicContact SD-CZ3 3.97Å; I375-W477 WeakPolarHBondContact O-CZ2 3.43Å; E421-W477 HydrophobicContact CG-CB 4.15Å; E421-W477 HydrophobicContact CG-CD2 4.5Å; E421-W477 HydrophobicContact CG-CG 3.88Å; K424-W477 HydrophobicContact CB-CH2 4.24Å; K424-W477 HydrophobicContact CB-CZ2 3.83Å; K424-W477 HydrophobicContact CD-CZ2 4.13Å; K425-W477 HydrophobicContact CG-CD2 4.29Å; K425-W477 HydrophobicContact CG-CE3 3.87Å; K425-W477 HydrophobicContact CG-CZ3 4.25Å; V428-W477 HydrophobicContact CG2-CH2 4.18Å; V428-W477 HydrophobicContact CG2-CZ3 4.33Å; P475-W477 HydrophobicContact CB-CD2 3.94Å; P475-W477 HydrophobicContact CB-CG 4.1Å; P475-W477 HydrophobicContact CB-CZ2 3.8Å; P475-W477 HydrophobicContact CG-CH2 4.3Å; P475-W477 HydrophobicContact CG-CZ2 3.65Å; P475-W477 PolarHBondContact O-N 3.26Å
478	M	89.4	Confident	83.3	Confident	15 Å²	15	42 Å²	42	7%	0.074	26%	0.262	C	S	.	.			trans	-68.5	135	-175.8	-167.6	59.4	-148.4	0	0	112.4	M362 H365 Y474 P475 S476 D481	M362-M478 HydrophobicContact CB-CE 3.45Å; M362-M478 VanDerWaalsContact CB-CE 3.45Å; M362-M478 HydrophobicContact CG-CE 4.13Å; M362-M478 HydrophobicContact SD-CE 3.77Å; M362-M478 HydrophobicContact SD-SD 3.67Å; M362-M478 VanDerWaalsContact SD-SD 3.67Å; H365-M478 HydrophobicContact CB-CE 3.5Å; H365-M478 VanDerWaalsContact CB-CE 3.5Å; H365-M478 HydrophobicContact CB-SD 4.23Å; H365-M478 PolarHBondContact CD2-SD 3.24Å; H365-M478 VanDerWaalsContact CG-SD 3.54Å; Y474-M478 HydrophobicContact CD1-CG 4.27Å; Y474-M478 HydrophobicContact CD2-CG 4.33Å; Y474-M478 HydrophobicContact CG-CB 4.49Å; Y474-M478 HydrophobicContact CG-CG 3.94Å; P475-M478 WeakPolarHBondContact O-CB 3.49Å; P475-M478 PolarHBondContact O-N 3.18Å; P475-M478 VanDerWaalsContact O-N 3.13Å; S476-M478 VanDerWaalsContact C-N 3.35Å; M478-D481 HydrophobicContact CE-CB 3.79Å
479	G	93.4	Very high	85.2	Confident	4 Å²	4	39.6 Å²	39.6	4%	0.041	24%	0.237	C	C	.	.			trans	-91.8	-143.2	170.6	0	0	0	0	0	111.7	M362 N465	M362-G479 PolarHBondContact SD-N 3.46Å; N465-G479 PolarHBondContact N-O 3.19Å
480	A	95.5	Very high	87	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-85	119	169.4	0	0	0	0	0	110.5	N360 D361 M362 F461 E463 D484	N360-A480 HydrophobicContact CB-CB 4Å; D361-A480 WeakPolarHBondContact OD1-CA 3.3Å; D361-A480 WeakPolarHBondContact OD1-CB 3.23Å; D361-A480 PolarHBondContact OD1-N 3.39Å; M362-A480 CarbonylContact C-O 3.48Å; M362-A480 VanDerWaalsContact C-O 3.26Å; M362-A480 WeakPolarHBondContact CA-O 3.4Å; M362-A480 WeakPolarHBondContact CB-O 3.23Å; M362-A480 PolarHBondContact N-O 3.08Å; F461-A480 HydrophobicContact CD1-CB 3.49Å; F461-A480 VanDerWaalsContact CD1-CB 3.49Å; F461-A480 HydrophobicContact CE1-CB 3.65Å; E463-A480 WeakPolarHBondContact O-CB 3.24Å; A480-D484 HydrophobicContact CB-CB 4.47Å
481	D	94.9	Very high	88.9	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-79.9	173.7	174.2	-155.3	-15.3	0	0	0	110.7	N360 H365 I366 Y474 M478 A483 D484	N360-D481 PolarHBondContact ND2-O 2.79Å; H365-D481 WeakPolarHBondContact CB-OD1 3.4Å; H365-D481 IonicContact CE1-OD2 3.66Å; H365-D481 IonicContact CG-OD2 3.64Å; H365-D481 IonicContact ND1-OD1 2.66Å; H365-D481 IonicContact ND1-OD2 2.75Å; H365-D481 PolarHBondContact ND1-OD2 2.8Å; I366-D481 PolarHBondContact N-OD1 3.41Å; Y474-D481 VanDerWaalsContact CZ-OD2 3.28Å; Y474-D481 PolarHBondContact OH-OD2 3.46Å; M478-D481 HydrophobicContact CE-CB 3.79Å; D481-A483 PolarHBondContact O-N 3.19Å; D481-D484 PolarHBondContact N-OD2 2.82Å; D481-D484 WeakPolarHBondContact O-CB 3.08Å; D481-D484 PolarHBondContact O-N 3.14Å
482	H	96.6	Very high	90.7	Very high	25 Å²	25	24.7 Å²	24.7	12%	0.116	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	136.1	171.5	-161.1	51.3	0	0	0	111.7	E237 S238 D363 I366 F367 F436 D484	E237-H482 IonicContact OE1-CD2 2.79Å; E237-H482 IonicContact OE1-CE1 2.62Å; E237-H482 PolarHBondContact OE1-CE1 3.18Å; E237-H482 VanDerWaalsContact OE1-CE1 3.26Å; E237-H482 IonicContact OE1-ND1 2.83Å; E237-H482 IonicContact OE1-NE2 3.7Å; S238-H482 VanDerWaalsContact CB-NE2 3.26Å; S238-H482 WeakPolarHBondContact CB-NE2 3.42Å; S238-H482 PolarHBondContact OG-CE1 3.28Å; S238-H482 PolarHBondContact OG-NE2 3.44Å; D363-H482 WeakPolarHBondContact O-CB 3.41Å; D363-H482 WeakPolarHBondContact OD1-CA 3.31Å; D363-H482 IonicContact OD1-CE1 2.84Å; D363-H482 IonicContact OD1-CG 3.53Å; D363-H482 IonicContact OD1-ND1 3.05Å; D363-H482 PolarHBondContact OD1-ND1 3.12Å; I366-H482 HydrophobicContact CG2-CB 3.63Å; F367-H482 HydrophobicContact CE2-CB 4.44Å; F367-H482 AromaticContact CE2-CD2 3.86Å; F436-H482 AromaticContact CE1-CE1 3.52Å; F436-H482 AromaticContact CZ-CE1 3.54Å; F436-H482 AromaticContact CZ-ND1 3.77Å; H482-D484 PolarHBondContact O-N 3.23Å
483	A	95.5	Very high	92.2	Very high	35 Å²	35	23.1 Å²	23.1	29%	0.289	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	4.3	179.1	0	0	0	0	0	116.6	E237 D481 D485 L486	E237-A483 WeakPolarHBondContact OE1-CA 3.4Å; E237-A483 PolarHBondContact OE1-N 2.95Å; D481-A483 PolarHBondContact O-N 3.19Å; A483-D485 VanDerWaalsContact C-N 3.27Å; A483-D485 PolarHBondContact O-N 2.98Å; A483-L486 HydrophobicContact CB-CD1 3.69Å; A483-L486 HydrophobicContact CB-CG 4.26Å; A483-L486 VanDerWaalsContact O-CB 3.31Å; A483-L486 WeakPolarHBondContact O-CB 3.48Å; A483-L486 WeakPolarHBondContact O-CG 3.39Å; A483-L486 PolarHBondContact O-N 3.06Å
484	D	95.1	Very high	93.4	Very high	17 Å²	17	19.8 Å²	19.8	9%	0.091	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.3	177.6	-87.9	-23.4	0	0	0	113.5	F461 N465 A480 D481 H482 L486 Q487 Y488	F461-D484 HydrophobicContact CE1-CB 4.23Å; N465-D484 VanDerWaalsContact CB-OD2 3.24Å; N465-D484 WeakPolarHBondContact CB-OD2 3.27Å; N465-D484 PolarHBondContact ND2-OD1 2.83Å; N465-D484 PolarHBondContact ND2-OD2 3.11Å; A480-D484 HydrophobicContact CB-CB 4.47Å; D481-D484 PolarHBondContact N-OD2 2.82Å; D481-D484 WeakPolarHBondContact O-CB 3.08Å; D481-D484 PolarHBondContact O-N 3.14Å; H482-D484 PolarHBondContact O-N 3.23Å; D484-L486 PolarHBondContact O-N 2.78Å; D484-Q487 WeakPolarHBondContact O-CG 3.46Å; D484-Q487 PolarHBondContact O-NE2 3.44Å; D484-Y488 WeakPolarHBondContact O-CD2 3.31Å; D484-Y488 VanDerWaalsContact O-CE2 3.26Å; D484-Y488 WeakPolarHBondContact O-CE2 3.42Å
485	D	97.4	Very high	94.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.4	178.1	60.8	-53.1	0	0	0	112.5	Q263 N360 F461 A483 Q487 Y488 V489 M511	Q263-D485 PolarHBondContact NE2-OD2 3.15Å; N360-D485 PolarHBondContact ND2-OD1 3.2Å; N360-D485 VanDerWaalsContact ND2-OD1 3.08Å; F461-D485 HydrophobicContact CD1-CB 3.83Å; F461-D485 HydrophobicContact CD2-CB 4.43Å; F461-D485 HydrophobicContact CE1-CB 4.06Å; F461-D485 HydrophobicContact CG-CB 4.03Å; F461-D485 HydrophobicContact CZ-CB 4.44Å; A483-D485 VanDerWaalsContact C-N 3.27Å; A483-D485 PolarHBondContact O-N 2.98Å; D485-Q487 VanDerWaalsContact C-N 3.32Å; D485-Q487 PolarHBondContact O-N 3.19Å; D485-Y488 WeakPolarHBondContact O-CB 3.04Å; D485-Y488 PolarHBondContact O-N 2.99Å; D485-V489 PolarHBondContact O-N 3.12Å; D485-M511 HydrophobicContact CB-CE 4.19Å
486	L	97.6	Very high	94.6	Very high	5 Å²	5	20.7 Å²	20.7	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-54	-45.1	-178.2	-68.3	178.4	0	0	0	113.1	W147 L168 Y169 E237 A483 D484 Y488 V489 F490	W147-L486 HydrophobicContact CH2-CD2 3.39Å; W147-L486 HydrophobicContact CZ2-CD2 3.7Å; L168-L486 HydrophobicContact CD1-CB 4.49Å; L168-L486 HydrophobicContact CD2-CD1 4.05Å; Y169-L486 HydrophobicContact CE1-CD1 4.06Å; Y169-L486 HydrophobicContact CE1-CD2 4.22Å; E237-L486 HydrophobicContact CB-CD2 3.56Å; E237-L486 HydrophobicContact CB-CG 4.4Å; E237-L486 HydrophobicContact CG-CD2 3.77Å; E237-L486 HydrophobicContact CG-CG 4.08Å; A483-L486 HydrophobicContact CB-CD1 3.69Å; A483-L486 HydrophobicContact CB-CG 4.26Å; A483-L486 VanDerWaalsContact O-CB 3.31Å; A483-L486 WeakPolarHBondContact O-CB 3.48Å; A483-L486 WeakPolarHBondContact O-CG 3.39Å; A483-L486 PolarHBondContact O-N 3.06Å; D484-L486 PolarHBondContact O-N 2.78Å; L486-Y488 PolarHBondContact O-N 3.01Å; L486-V489 PolarHBondContact O-N 2.62Å; L486-F490 WeakPolarHBondContact O-CB 3.46Å; L486-F490 WeakPolarHBondContact O-CD2 3.39Å; L486-F490 PolarHBondContact O-N 3.15Å
487	Q	95.4	Very high	94.9	Very high	19 Å²	19	17.6 Å²	17.6	9%	0.089	10%	0.102	C	C	.	.	H	α-helix	trans	-65	-29.8	-176.7	75.7	-163.7	-61.3	0	0	111.6	D484 D485 G491 K492 P493 Y500	D484-Q487 WeakPolarHBondContact O-CG 3.46Å; D484-Q487 PolarHBondContact O-NE2 3.44Å; D485-Q487 VanDerWaalsContact C-N 3.32Å; D485-Q487 PolarHBondContact O-N 3.19Å; Q487-G491 PolarHBondContact O-N 2.78Å; Q487-K492 HydrophobicContact CB-CB 4.01Å; Q487-K492 HydrophobicContact CB-CG 4.07Å; Q487-K492 WeakPolarHBondContact O-CB 3.44Å; Q487-K492 PolarHBondContact O-N 3.06Å; Q487-P493 VanDerWaalsContact O-CD 3.23Å; Q487-P493 WeakPolarHBondContact O-CD 3.23Å; Q487-Y500 HydrophobicContact CG-CE1 4.44Å; Q487-Y500 VanDerWaalsContact OE1-CZ 3.31Å; Q487-Y500 PolarHBondContact OE1-OH 2.86Å
488	Y	97.9	Very high	95	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-80.2	-43.3	179.6	-59.2	-85.8	0	0	0	111.1	F461 E463 D484 D485 L486 F490 G491 P493 H504 A507 S508 M511	F461-Y488 HydrophobicContact CE1-CD2 4.23Å; F461-Y488 HydrophobicContact CE1-CE2 4.17Å; F461-Y488 HydrophobicContact CE2-CD2 4.05Å; F461-Y488 HydrophobicContact CE2-CE2 4.47Å; F461-Y488 HydrophobicContact CE2-CG 4.32Å; F461-Y488 AromaticContact CZ-CD2 3.37Å; F461-Y488 HydrophobicContact CZ-CD2 3.37Å; F461-Y488 AromaticContact CZ-CE2 3.48Å; F461-Y488 HydrophobicContact CZ-CE2 3.48Å; F461-Y488 VanDerWaalsContact CZ-CE2 3.48Å; F461-Y488 HydrophobicContact CZ-CG 4.06Å; E463-Y488 HydrophobicContact CG-CE1 4Å; E463-Y488 HydrophobicContact CG-CE2 4.41Å; E463-Y488 WeakPolarHBondContact CG-OH 3.37Å; D484-Y488 WeakPolarHBondContact O-CD2 3.31Å; D484-Y488 VanDerWaalsContact O-CE2 3.26Å; D484-Y488 WeakPolarHBondContact O-CE2 3.42Å; D485-Y488 WeakPolarHBondContact O-CB 3.04Å; D485-Y488 PolarHBondContact O-N 2.99Å; L486-Y488 PolarHBondContact O-N 3.01Å; Y488-F490 VanDerWaalsContact C-N 3.34Å; Y488-F490 PolarHBondContact O-N 2.76Å; Y488-G491 PolarHBondContact O-N 2.87Å; Y488-P493 HydrophobicContact CD1-CG 4.12Å; Y488-P493 HydrophobicContact CE1-CG 4.34Å; Y488-H504 WeakPolarHBondContact CD1-O 3.29Å; Y488-H504 HydrophobicContact CE1-CB 3.79Å; Y488-H504 PolarHBondContact OH-CD2 3.46Å; Y488-A507 HydrophobicContact CD1-CB 3.82Å; Y488-A507 HydrophobicContact CE1-CB 4.04Å; Y488-S508 WeakPolarHBondContact O-CB 3.04Å; Y488-S508 PolarHBondContact O-OG 2.03Å; Y488-M511 VanDerWaalsContact CB-SD 3.54Å; Y488-M511 HydrophobicContact CG-SD 4.48Å
489	V	98.3	Very high	94.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-41.8	175.1	174.9	0	0	0	0	111.5	F235 D485 L486 G491 M511 W515	F235-V489 HydrophobicContact CD2-CG1 4.49Å; F235-V489 HydrophobicContact CE2-CG1 4Å; D485-V489 PolarHBondContact O-N 3.12Å; L486-V489 PolarHBondContact O-N 2.62Å; V489-G491 VanDerWaalsContact C-N 3.3Å; V489-G491 PolarHBondContact O-N 3.31Å; V489-M511 HydrophobicContact CG2-CB 4.44Å; V489-M511 HydrophobicContact CG2-CE 3.39Å; V489-M511 HydrophobicContact CG2-SD 4.03Å; V489-W515 HydrophobicContact CG2-CZ2 4.32Å
490	F	98.4	Very high	94.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	10.2	179.6	-77.7	-82.6	0	0	0	114.5	W147 L168 Y169 F235 L486 Y488 K492	W147-F490 HydrophobicContact CB-CZ 4.43Å; W147-F490 AromaticContact CD1-CZ 3.97Å; W147-F490 AromaticContact CD2-CE2 3.96Å; W147-F490 HydrophobicContact CD2-CE2 3.96Å; W147-F490 AromaticContact CD2-CZ 3.59Å; W147-F490 HydrophobicContact CD2-CZ 3.59Å; W147-F490 AromaticContact CE2-CE2 3.8Å; W147-F490 AromaticContact CE2-CZ 3.74Å; W147-F490 HydrophobicContact CE3-CE2 4.12Å; W147-F490 HydrophobicContact CE3-CZ 4Å; W147-F490 AromaticContact CG-CZ 3.77Å; W147-F490 HydrophobicContact CG-CZ 3.77Å; W147-F490 HydrophobicContact CH2-CE2 4Å; W147-F490 AromaticContact CZ2-CE2 3.85Å; W147-F490 HydrophobicContact CZ2-CE2 3.85Å; W147-F490 HydrophobicContact CZ2-CZ 4.27Å; W147-F490 HydrophobicContact CZ3-CE2 4.12Å; W147-F490 HydrophobicContact CZ3-CZ 4.47Å; W147-F490 AromaticContact NE1-CZ 3.93Å; L168-F490 VanDerWaalsContact O-CB 3.3Å; L168-F490 WeakPolarHBondContact O-CB 3.46Å; L168-F490 WeakPolarHBondContact O-CG 3.5Å; Y169-F490 AromaticContact CD1-CD2 3.94Å; Y169-F490 HydrophobicContact CD1-CD2 3.94Å; Y169-F490 HydrophobicContact CD1-CE1 4.42Å; Y169-F490 AromaticContact CD1-CE2 3.54Å; Y169-F490 HydrophobicContact CD1-CE2 3.54Å; Y169-F490 AromaticContact CD1-CZ 3.81Å; Y169-F490 HydrophobicContact CD1-CZ 3.81Å; Y169-F490 HydrophobicContact CE1-CE2 4.19Å; Y169-F490 HydrophobicContact CG-CE2 4.39Å; Y169-F490 HydrophobicContact CG-CZ 4.22Å; F235-F490 HydrophobicContact CE2-CZ 4.28Å; F235-F490 HydrophobicContact CZ-CZ 4.22Å; L486-F490 WeakPolarHBondContact O-CB 3.46Å; L486-F490 WeakPolarHBondContact O-CD2 3.39Å; L486-F490 PolarHBondContact O-N 3.15Å; Y488-F490 VanDerWaalsContact C-N 3.34Å; Y488-F490 PolarHBondContact O-N 2.76Å; F490-K492 VanDerWaalsContact C-N 3.32Å; F490-K492 PolarHBondContact O-N 2.87Å
491	G	97.5	Very high	94.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	24.9	171.7	0	0	0	0	0	115.2	Q487 Y488 V489 P493 F494 S495 S508	Q487-G491 PolarHBondContact O-N 2.78Å; Y488-G491 PolarHBondContact O-N 2.87Å; V489-G491 VanDerWaalsContact C-N 3.3Å; V489-G491 PolarHBondContact O-N 3.31Å; G491-P493 VanDerWaalsContact C-N 3.34Å; G491-F494 WeakPolarHBondContact O-CB 3.46Å; G491-F494 PolarHBondContact O-N 2.97Å; G491-S495 PolarHBondContact O-N 3.16Å; G491-S495 VanDerWaalsContact O-N 3.17Å; G491-S508 WeakPolarHBondContact CA-OG 3.32Å
492	K	95.5	Very high	94.6	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.057	20%	0.198	C	C	.	.	H	α-helix	trans	-57.6	-39.4	179.3	-60.2	-48	-174.5	-163.2	0	113.9	N166 Y167 L168 Q487 F490 F494 S495 T496 Y500	N166-K492 PolarHBondContact OD1-NZ 3.12Å; Y167-K492 WeakPolarHBondContact O-CE 3.28Å; Y167-K492 PolarHBondContact O-NZ 3.03Å; L168-K492 VanDerWaalsContact CA-CE 3.46Å; L168-K492 HydrophobicContact CD1-CG 4.32Å; L168-K492 WeakPolarHBondContact O-CE 3.49Å; L168-K492 PolarHBondContact O-NZ 2.85Å; Q487-K492 HydrophobicContact CB-CB 4.01Å; Q487-K492 HydrophobicContact CB-CG 4.07Å; Q487-K492 WeakPolarHBondContact O-CB 3.44Å; Q487-K492 PolarHBondContact O-N 3.06Å; F490-K492 VanDerWaalsContact C-N 3.32Å; F490-K492 PolarHBondContact O-N 2.87Å; K492-F494 PolarHBondContact O-N 2.93Å; K492-S495 WeakPolarHBondContact CA-OG 3.41Å; K492-S495 PolarHBondContact O-N 2.98Å; K492-S495 VanDerWaalsContact O-N 3.12Å; K492-S495 PolarHBondContact O-OG 3.29Å; K492-T496 PolarHBondContact O-N 3.22Å; K492-T496 PolarHBondContact O-OG1 2.97Å; K492-Y500 HydrophobicContact CB-CE2 4.23Å
493	P	95.3	Very high	94.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-53.6	-22.2	171.3	-30.7	39.2	0	0	0	115.9	Q487 Y488 G491 P497 Y500 H504 R505	Q487-P493 VanDerWaalsContact O-CD 3.23Å; Q487-P493 WeakPolarHBondContact O-CD 3.23Å; Y488-P493 HydrophobicContact CD1-CG 4.12Å; Y488-P493 HydrophobicContact CE1-CG 4.34Å; G491-P493 VanDerWaalsContact C-N 3.34Å; P493-P497 WeakPolarHBondContact O-CA 3.19Å; P493-Y500 VanDerWaalsContact CA-CD2 3.47Å; P493-Y500 HydrophobicContact CB-CD1 4.13Å; P493-Y500 HydrophobicContact CB-CD2 4.23Å; P493-Y500 HydrophobicContact CB-CG 3.88Å; P493-Y500 HydrophobicContact CG-CD1 3.73Å; P493-Y500 HydrophobicContact CG-CD2 4.34Å; P493-Y500 HydrophobicContact CG-CE1 3.88Å; P493-Y500 HydrophobicContact CG-CE2 4.46Å; P493-Y500 HydrophobicContact CG-CG 3.96Å; P493-H504 HydrophobicContact CB-CB 4.43Å; P493-H504 HydrophobicContact CG-CB 4.24Å; P493-H504 WeakPolarHBondContact CG-O 3.49Å; P493-R505 HydrophobicContact CB-CB 4.39Å; P493-R505 HydrophobicContact CB-CG 3.69Å; P493-R505 WeakPolarHBondContact O-CG 3.03Å
494	F	95.6	Very high	94.4	Very high	44 Å²	44	34 Å²	34	19%	0.193	20%	0.196	C	C	.	.	H	α-helix	trans	-92.7	-40.7	175.6	-58.4	-65.1	0	0	0	113.1	E173 R177 G491 K492 P497 R505 S508 I512	E173-F494 WeakPolarHBondContact OE2-CB 3.39Å; R177-F494 VanDerWaalsContact CZ-CD2 3.46Å; G491-F494 WeakPolarHBondContact O-CB 3.46Å; G491-F494 PolarHBondContact O-N 2.97Å; K492-F494 PolarHBondContact O-N 2.93Å; F494-P497 WeakPolarHBondContact O-CD 3.45Å; F494-R505 HydrophobicContact CD1-CB 4.46Å; F494-R505 HydrophobicContact CD1-CG 4.19Å; F494-R505 HydrophobicContact CE1-CB 3.83Å; F494-R505 HydrophobicContact CE1-CG 4.06Å; F494-R505 HydrophobicContact CZ-CB 4.23Å; F494-R505 VanDerWaalsContact CZ-O 3.25Å; F494-R505 WeakPolarHBondContact CZ-O 3.32Å; F494-S508 WeakPolarHBondContact CE2-OG 3.11Å; F494-I512 HydrophobicContact CD2-CD1 4.33Å; F494-I512 HydrophobicContact CE2-CD1 4.12Å
495	S	93.3	Very high	94.5	Very high	45 Å²	45	36.7 Å²	36.7	32%	0.315	20%	0.204	S	C	.	.	H	α-helix	trans	-73.6	-28.5	-179.8	67.5	0	0	0	0	113.9	N166 G491 K492 P497	N166-S495 PolarHBondContact ND2-OG 3.04Å; G491-S495 PolarHBondContact O-N 3.16Å; G491-S495 VanDerWaalsContact O-N 3.17Å; K492-S495 WeakPolarHBondContact CA-OG 3.41Å; K492-S495 PolarHBondContact O-N 2.98Å; K492-S495 VanDerWaalsContact O-N 3.12Å; K492-S495 PolarHBondContact O-OG 3.29Å; S495-P497 VanDerWaalsContact C-CD 3.5Å
496	T	91.1	Very high	94.4	Very high	50 Å²	50	40 Å²	40	31%	0.307	22%	0.222	S	C	.	.	S	Bend	trans	-128.1	60.1	179.2	43.3	0	0	0	0	111.4	N166 K492 L498 G499 Y500	N166-T496 HydrophobicContact CB-CG2 4.49Å; N166-T496 WeakPolarHBondContact ND2-CG2 3.35Å; K492-T496 PolarHBondContact O-N 3.22Å; K492-T496 PolarHBondContact O-OG1 2.97Å; T496-L498 PolarHBondContact O-N 3.39Å; T496-G499 PolarHBondContact O-N 3.05Å; T496-Y500 WeakPolarHBondContact O-CD2 3.38Å
497	P	90.4	Very high	94.4	Very high	63 Å²	63	39.7 Å²	39.7	41%	0.409	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-64.5	-23.3	-163.5	27.2	-35.8	0	0	0	114.4	P493 F494 S495 G499 Y500 R505	P493-P497 WeakPolarHBondContact O-CA 3.19Å; F494-P497 WeakPolarHBondContact O-CD 3.45Å; S495-P497 VanDerWaalsContact C-CD 3.5Å; P497-G499 PolarHBondContact O-N 3.12Å; P497-Y500 PolarHBondContact O-N 3.42Å; P497-Y500 VanDerWaalsContact O-O 3.09Å; P497-R505 PolarHBondContact O-NH1 3.15Å
498	L	90.1	Very high	94.5	Very high	179 Å²	179	38.8 Å²	38.8	94%	0.937	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-67.8	-23.3	176.7	-63.1	178.2	0	0	0	113	T496 Y500	T496-L498 PolarHBondContact O-N 3.39Å; L498-Y500 VanDerWaalsContact C-N 3.34Å
499	G	87.6	Confident	94.6	Very high	41 Å²	41	39.9 Å²	39.9	42%	0.423	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-80.1	-13.5	176.6	0	0	0	0	0	114.1	R466 T496 P497	R466-G499 PolarHBondContact NE-O 3.26Å; T496-G499 PolarHBondContact O-N 3.05Å; P497-G499 PolarHBondContact O-N 3.12Å
500	Y	90.9	Very high	94.6	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.122	24%	0.238	C	C	.	.			trans	-128.1	132.9	-165.1	-67.3	-84.8	0	0	0	113.5	Q487 K492 P493 T496 P497 L498 H504 R505	Q487-Y500 HydrophobicContact CG-CE1 4.44Å; Q487-Y500 VanDerWaalsContact OE1-CZ 3.31Å; Q487-Y500 PolarHBondContact OE1-OH 2.86Å; K492-Y500 HydrophobicContact CB-CE2 4.23Å; P493-Y500 VanDerWaalsContact CA-CD2 3.47Å; P493-Y500 HydrophobicContact CB-CD1 4.13Å; P493-Y500 HydrophobicContact CB-CD2 4.23Å; P493-Y500 HydrophobicContact CB-CG 3.88Å; P493-Y500 HydrophobicContact CG-CD1 3.73Å; P493-Y500 HydrophobicContact CG-CD2 4.34Å; P493-Y500 HydrophobicContact CG-CE1 3.88Å; P493-Y500 HydrophobicContact CG-CE2 4.46Å; P493-Y500 HydrophobicContact CG-CG 3.96Å; T496-Y500 WeakPolarHBondContact O-CD2 3.38Å; P497-Y500 PolarHBondContact O-N 3.42Å; P497-Y500 VanDerWaalsContact O-O 3.09Å; L498-Y500 VanDerWaalsContact C-N 3.34Å; Y500-H504 HydrophobicContact CD1-CB 3.79Å; Y500-H504 HydrophobicContact CG-CB 4.43Å; Y500-R505 PolarHBondContact O-NH1 3.23Å; Y500-R505 VanDerWaalsContact O-NH1 3.07Å
501	A	92.3	Very high	94.6	Very high	30 Å²	30	42.5 Å²	42.5	25%	0.248	24%	0.238	C	C	.	.			trans	-71.2	160.3	169.1	0	0	0	0	0	112.2	R503 H504	A501-R503 PolarHBondContact O-N 2.92Å; A501-H504 WeakPolarHBondContact CB-ND1 3.43Å; A501-H504 PolarHBondContact N-ND1 2.69Å; A501-H504 WeakPolarHBondContact O-CB 3.27Å; A501-H504 PolarHBondContact O-N 2.98Å; A501-H504 VanDerWaalsContact O-N 3.08Å; A501-H504 PolarHBondContact O-ND1 2.79Å
502	P	94.1	Very high	94.7	Very high	81 Å²	81	42.6 Å²	42.6	53%	0.526	24%	0.239	S	C	.	.	H	α-helix	trans	-48.7	-48	179.1	-29.3	35.8	0	0	0	114.7	H504 R505 D506	P502-H504 PolarHBondContact O-N 2.95Å; P502-H504 VanDerWaalsContact O-N 3.07Å; P502-R505 WeakPolarHBondContact O-CA 3.42Å; P502-R505 VanDerWaalsContact O-CB 3.3Å; P502-R505 WeakPolarHBondContact O-CB 3.24Å; P502-R505 PolarHBondContact O-N 3.21Å; P502-D506 PolarHBondContact O-N 2.8Å
503	R	94	Very high	94.8	Very high	88 Å²	88	42.2 Å²	42.2	33%	0.332	24%	0.238	S	C	.	.	H	α-helix	trans	-54.8	-31.5	179.4	69.9	173.8	-132.4	-175.5	3.2	114.8	E463 A501 D506 A507 G550	E463-R503 IonicContact OE1-CZ 3.44Å; E463-R503 IonicContact OE1-NE 3.64Å; E463-R503 PolarHBondContact OE1-NE 2.86Å; E463-R503 IonicContact OE1-NH2 3.21Å; E463-R503 PolarHBondContact OE1-NH2 3Å; A501-R503 PolarHBondContact O-N 2.92Å; R503-D506 WeakPolarHBondContact O-CB 3.31Å; R503-D506 PolarHBondContact O-N 3.11Å; R503-A507 PolarHBondContact O-N 2.92Å; R503-G550 WeakPolarHBondContact O-CA 3.27Å
504	H	94.9	Very high	95	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-74.1	-31.7	177.1	-50.9	106.3	0	0	0	111.7	E463 Y488 P493 Y500 A501 P502 D506 S508	E463-H504 IonicContact OE1-CD2 3.72Å; E463-H504 PolarHBondContact OE1-CD2 2.98Å; E463-H504 VanDerWaalsContact OE1-CD2 3.32Å; E463-H504 IonicContact OE1-NE2 3.18Å; Y488-H504 WeakPolarHBondContact CD1-O 3.29Å; Y488-H504 HydrophobicContact CE1-CB 3.79Å; Y488-H504 PolarHBondContact OH-CD2 3.46Å; P493-H504 HydrophobicContact CB-CB 4.43Å; P493-H504 HydrophobicContact CG-CB 4.24Å; P493-H504 WeakPolarHBondContact CG-O 3.49Å; Y500-H504 HydrophobicContact CD1-CB 3.79Å; Y500-H504 HydrophobicContact CG-CB 4.43Å; A501-H504 WeakPolarHBondContact CB-ND1 3.43Å; A501-H504 PolarHBondContact N-ND1 2.69Å; A501-H504 WeakPolarHBondContact O-CB 3.27Å; A501-H504 PolarHBondContact O-N 2.98Å; A501-H504 VanDerWaalsContact O-N 3.08Å; A501-H504 PolarHBondContact O-ND1 2.79Å; P502-H504 PolarHBondContact O-N 2.95Å; P502-H504 VanDerWaalsContact O-N 3.07Å; H504-D506 VanDerWaalsContact C-N 3.32Å; H504-S508 VanDerWaalsContact O-CB 3.3Å; H504-S508 WeakPolarHBondContact O-CB 3.47Å; H504-S508 PolarHBondContact O-N 3.08Å
505	R	96	Very high	95.1	Very high	73 Å²	73	40.1 Å²	40.1	28%	0.275	23%	0.229	S	C	.	.	H	α-helix	trans	-69.5	-35.3	170.9	-71.3	-173.4	-74.9	-94.8	1.3	110.8	P493 F494 P497 Y500 P502 G509	P493-R505 HydrophobicContact CB-CB 4.39Å; P493-R505 HydrophobicContact CB-CG 3.69Å; P493-R505 WeakPolarHBondContact O-CG 3.03Å; F494-R505 HydrophobicContact CD1-CB 4.46Å; F494-R505 HydrophobicContact CD1-CG 4.19Å; F494-R505 HydrophobicContact CE1-CB 3.83Å; F494-R505 HydrophobicContact CE1-CG 4.06Å; F494-R505 HydrophobicContact CZ-CB 4.23Å; F494-R505 VanDerWaalsContact CZ-O 3.25Å; F494-R505 WeakPolarHBondContact CZ-O 3.32Å; P497-R505 PolarHBondContact O-NH1 3.15Å; Y500-R505 PolarHBondContact O-NH1 3.23Å; Y500-R505 VanDerWaalsContact O-NH1 3.07Å; P502-R505 WeakPolarHBondContact O-CA 3.42Å; P502-R505 VanDerWaalsContact O-CB 3.3Å; P502-R505 WeakPolarHBondContact O-CB 3.24Å; P502-R505 PolarHBondContact O-N 3.21Å; R505-G509 PolarHBondContact O-N 3.23Å
506	D	96.5	Very high	95.4	Very high	69 Å²	69	38 Å²	38	37%	0.369	21%	0.214	S	C	.	.	H	α-helix	trans	-64.2	-53.3	174.3	-59.3	-34.1	0	0	0	110.1	P502 R503 H504 S508 G509 Y510	P502-D506 PolarHBondContact O-N 2.8Å; R503-D506 WeakPolarHBondContact O-CB 3.31Å; R503-D506 PolarHBondContact O-N 3.11Å; H504-D506 VanDerWaalsContact C-N 3.32Å; D506-S508 VanDerWaalsContact C-N 3.33Å; D506-S508 PolarHBondContact O-N 2.91Å; D506-G509 WeakPolarHBondContact O-CA 3.43Å; D506-G509 PolarHBondContact O-N 2.8Å; D506-Y510 HydrophobicContact CB-CE2 3.92Å; D506-Y510 WeakPolarHBondContact O-CD1 3.27Å; D506-Y510 VanDerWaalsContact O-CD2 3.25Å; D506-Y510 WeakPolarHBondContact O-CD2 3.09Å; D506-Y510 PolarHBondContact O-N 3.37Å
507	A	97.4	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.1	-46.8	174.5	0	0	0	0	0	112.7	E463 Y488 R503 Y510 M511	E463-A507 HydrophobicContact CG-CB 4.44Å; Y488-A507 HydrophobicContact CD1-CB 3.82Å; Y488-A507 HydrophobicContact CE1-CB 4.04Å; R503-A507 PolarHBondContact O-N 2.92Å; A507-Y510 PolarHBondContact O-N 2.81Å; A507-M511 WeakPolarHBondContact O-CG 3.36Å; A507-M511 PolarHBondContact O-N 2.93Å
508	S	98.3	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-40.5	176.8	-179.8	0	0	0	0	112.6	Y488 G491 F494 H504 D506 Y510 M511 I512	Y488-S508 WeakPolarHBondContact O-CB 3.04Å; Y488-S508 PolarHBondContact O-OG 2.03Å; G491-S508 WeakPolarHBondContact CA-OG 3.32Å; F494-S508 WeakPolarHBondContact CE2-OG 3.11Å; H504-S508 VanDerWaalsContact O-CB 3.3Å; H504-S508 WeakPolarHBondContact O-CB 3.47Å; H504-S508 PolarHBondContact O-N 3.08Å; D506-S508 VanDerWaalsContact C-N 3.33Å; D506-S508 PolarHBondContact O-N 2.91Å; S508-Y510 VanDerWaalsContact C-N 3.34Å; S508-Y510 PolarHBondContact O-N 2.99Å; S508-M511 PolarHBondContact O-N 3.22Å; S508-I512 WeakPolarHBondContact O-CB 3.45Å; S508-I512 VanDerWaalsContact O-CG1 3.26Å; S508-I512 WeakPolarHBondContact O-CG1 3.4Å; S508-I512 PolarHBondContact O-N 2.97Å
509	G	98.4	Very high	96.6	Very high	24 Å²	24	24 Å²	24	25%	0.247	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.2	0	0	0	0	0	112.2	R505 D506 A513	R505-G509 PolarHBondContact O-N 3.23Å; D506-G509 WeakPolarHBondContact O-CA 3.43Å; D506-G509 PolarHBondContact O-N 2.8Å; G509-A513 WeakPolarHBondContact O-CB 3.39Å; G509-A513 PolarHBondContact O-N 3.04Å
510	Y	98.4	Very high	97.1	Very high	56 Å²	56	24 Å²	24	22%	0.22	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-47.3	178	-54.2	-28.8	0	0	0	111.9	D506 A507 S508 A513 Y514 P532 M552	D506-Y510 HydrophobicContact CB-CE2 3.92Å; D506-Y510 WeakPolarHBondContact O-CD1 3.27Å; D506-Y510 VanDerWaalsContact O-CD2 3.25Å; D506-Y510 WeakPolarHBondContact O-CD2 3.09Å; D506-Y510 PolarHBondContact O-N 3.37Å; A507-Y510 PolarHBondContact O-N 2.81Å; S508-Y510 VanDerWaalsContact C-N 3.34Å; S508-Y510 PolarHBondContact O-N 2.99Å; Y510-A513 WeakPolarHBondContact O-CB 3.48Å; Y510-A513 PolarHBondContact O-N 3.31Å; Y510-Y514 WeakPolarHBondContact O-CD2 3.31Å; Y510-Y514 PolarHBondContact O-N 2.89Å; Y510-P532 HydrophobicContact CD1-CB 4.05Å; Y510-P532 HydrophobicContact CD1-CG 3.59Å; Y510-P532 HydrophobicContact CD2-CG 4.03Å; Y510-P532 HydrophobicContact CE1-CB 3.86Å; Y510-P532 HydrophobicContact CE1-CG 3.93Å; Y510-P532 HydrophobicContact CE2-CB 4.48Å; Y510-P532 HydrophobicContact CE2-CG 4.35Å; Y510-P532 HydrophobicContact CG-CB 4.45Å; Y510-P532 HydrophobicContact CG-CG 3.65Å; Y510-M552 HydrophobicContact CD2-CB 4.32Å; Y510-M552 HydrophobicContact CD2-CG 3.94Å; Y510-M552 HydrophobicContact CD2-SD 3.64Å; Y510-M552 HydrophobicContact CE2-CB 4.15Å; Y510-M552 HydrophobicContact CE2-CG 4.18Å; Y510-M552 HydrophobicContact CE2-SD 4.4Å; Y510-M552 HydrophobicContact CG-SD 4.09Å
511	M	98.8	Very high	97.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-47	177.4	-69.4	-167.8	85.9	0	0	111.8	F461 D485 Y488 V489 A507 S508 A513 Y514 W515 I548	F461-M511 HydrophobicContact CD2-CE 4.22Å; F461-M511 HydrophobicContact CD2-SD 3.81Å; F461-M511 HydrophobicContact CE2-SD 3.65Å; D485-M511 HydrophobicContact CB-CE 4.19Å; Y488-M511 VanDerWaalsContact CB-SD 3.54Å; Y488-M511 HydrophobicContact CG-SD 4.48Å; V489-M511 HydrophobicContact CG2-CB 4.44Å; V489-M511 HydrophobicContact CG2-CE 3.39Å; V489-M511 HydrophobicContact CG2-SD 4.03Å; A507-M511 WeakPolarHBondContact O-CG 3.36Å; A507-M511 PolarHBondContact O-N 2.93Å; S508-M511 PolarHBondContact O-N 3.22Å; M511-A513 VanDerWaalsContact C-N 3.28Å; M511-A513 PolarHBondContact O-N 2.73Å; M511-Y514 PolarHBondContact O-N 3.39Å; M511-W515 HydrophobicContact CB-CE3 4.3Å; M511-W515 HydrophobicContact CB-CZ3 4.36Å; M511-W515 HydrophobicContact CE-CH2 3.39Å; M511-W515 HydrophobicContact CE-CZ2 3.7Å; M511-W515 HydrophobicContact CE-CZ3 3.87Å; M511-W515 HydrophobicContact CG-CZ3 4.35Å; M511-W515 WeakPolarHBondContact O-CB 3.38Å; M511-W515 PolarHBondContact O-N 2.9Å; M511-I548 HydrophobicContact CG-CG2 3.77Å; M511-I548 HydrophobicContact SD-CG2 4.47Å
512	I	98.9	Very high	97.8	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-41.5	176.2	-70.6	172	0	0	0	110.7	L174 R177 F494 S508 T516 L529	L174-I512 HydrophobicContact CD1-CB 4.49Å; L174-I512 HydrophobicContact CD1-CG1 4.15Å; L174-I512 HydrophobicContact CD1-CG2 4.22Å; R177-I512 HydrophobicContact CB-CG2 3.8Å; F494-I512 HydrophobicContact CD2-CD1 4.33Å; F494-I512 HydrophobicContact CE2-CD1 4.12Å; S508-I512 WeakPolarHBondContact O-CB 3.45Å; S508-I512 VanDerWaalsContact O-CG1 3.26Å; S508-I512 WeakPolarHBondContact O-CG1 3.4Å; S508-I512 PolarHBondContact O-N 2.97Å; I512-T516 HydrophobicContact CG2-CG2 4.32Å; I512-T516 WeakPolarHBondContact O-CB 3.47Å; I512-T516 WeakPolarHBondContact O-CG2 3.21Å; I512-T516 PolarHBondContact O-N 3.4Å; I512-T516 VanDerWaalsContact O-N 3.08Å; I512-T516 PolarHBondContact O-OG1 3.03Å; I512-L529 HydrophobicContact CG2-CD1 4.19Å
513	A	98.8	Very high	98	Very high	4 Å²	4	20.7 Å²	20.7	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-60.4	-54.9	176.8	0	0	0	0	0	111.9	G509 Y510 M511 W515 T516 N517 L529 V531	G509-A513 WeakPolarHBondContact O-CB 3.39Å; G509-A513 PolarHBondContact O-N 3.04Å; Y510-A513 WeakPolarHBondContact O-CB 3.48Å; Y510-A513 PolarHBondContact O-N 3.31Å; M511-A513 VanDerWaalsContact C-N 3.28Å; M511-A513 PolarHBondContact O-N 2.73Å; A513-W515 PolarHBondContact O-N 2.95Å; A513-T516 PolarHBondContact O-N 3.24Å; A513-T516 PolarHBondContact O-OG1 3.03Å; A513-N517 WeakPolarHBondContact O-CB 3.38Å; A513-N517 PolarHBondContact O-N 2.88Å; A513-N517 PolarHBondContact O-ND2 3Å; A513-L529 HydrophobicContact CB-CB 3.71Å; A513-L529 HydrophobicContact CB-CD1 4.15Å; A513-V531 HydrophobicContact CB-CG1 4.17Å
514	Y	98.9	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-47.4	-179.7	-71.3	-56.1	0	0	0	112.6	Y510 M511 T516 F518 P524 V531 P532 V533 W535 M552	Y510-Y514 WeakPolarHBondContact O-CD2 3.31Å; Y510-Y514 PolarHBondContact O-N 2.89Å; M511-Y514 PolarHBondContact O-N 3.39Å; Y514-T516 VanDerWaalsContact C-N 3.34Å; Y514-T516 PolarHBondContact O-N 2.85Å; Y514-F518 WeakPolarHBondContact O-CB 3.02Å; Y514-F518 PolarHBondContact O-N 3.01Å; Y514-P524 HydrophobicContact CD1-CB 3.68Å; Y514-P524 HydrophobicContact CG-CB 4.36Å; Y514-V531 HydrophobicContact CD1-CB 4.02Å; Y514-V531 HydrophobicContact CD1-CG1 3.43Å; Y514-V531 VanDerWaalsContact CD1-CG1 3.43Å; Y514-V531 HydrophobicContact CE1-CB 3.4Å; Y514-V531 VanDerWaalsContact CE1-CB 3.4Å; Y514-V531 HydrophobicContact CE1-CG1 3.38Å; Y514-V531 HydrophobicContact CE1-CG2 4.01Å; Y514-V531 HydrophobicContact CG-CG1 4.22Å; Y514-P532 HydrophobicContact CE2-CG 4.31Å; Y514-V533 WeakPolarHBondContact OH-CG2 3.23Å; Y514-V533 PolarHBondContact OH-N 3.2Å; Y514-V533 PolarHBondContact OH-O 2.75Å; Y514-W535 AromaticContact CD1-CE3 3.54Å; Y514-W535 HydrophobicContact CD1-CE3 3.54Å; Y514-W535 HydrophobicContact CD1-CZ3 4.15Å; Y514-W535 AromaticContact CD2-CE3 3.93Å; Y514-W535 HydrophobicContact CD2-CE3 3.93Å; Y514-W535 AromaticContact CD2-CZ3 3.92Å; Y514-W535 HydrophobicContact CD2-CZ3 3.92Å; Y514-W535 HydrophobicContact CE1-CB 4.12Å; Y514-W535 AromaticContact CE1-CE3 3.86Å; Y514-W535 HydrophobicContact CE1-CE3 3.86Å; Y514-W535 HydrophobicContact CE2-CE3 4.24Å; Y514-W535 AromaticContact CG-CE3 3.57Å; Y514-W535 HydrophobicContact CG-CE3 3.57Å; Y514-W535 AromaticContact CG-CZ3 3.7Å; Y514-W535 HydrophobicContact CG-CZ3 3.7Å; Y514-M552 HydrophobicContact CE2-CE 4.03Å; Y514-M552 HydrophobicContact CE2-SD 4.17Å
515	W	98.9	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-42.2	-177	-92.3	-123.9	0	0	0	111.5	M145 I261 Q263 M356 Y459 V489 M511 A513 A519 W535 I548	M145-W515 HydrophobicContact CE-CB 4.14Å; I261-W515 HydrophobicContact CD1-CB 4.45Å; I261-W515 HydrophobicContact CD1-CG 3.93Å; I261-W515 HydrophobicContact CG2-CZ2 4.14Å; Q263-W515 HydrophobicContact CG-CZ2 4.25Å; M356-W515 HydrophobicContact CE-CD2 4.24Å; M356-W515 HydrophobicContact CE-CE3 4.39Å; M356-W515 HydrophobicContact CE-CG 4.5Å; Y459-W515 HydrophobicContact CD1-CH2 4.16Å; Y459-W515 AromaticContact CE1-CH2 3.87Å; Y459-W515 HydrophobicContact CE1-CH2 3.87Å; Y459-W515 HydrophobicContact CE1-CZ2 4.01Å; Y459-W515 HydrophobicContact CE2-CH2 4.3Å; Y459-W515 HydrophobicContact CG-CH2 4.49Å; Y459-W515 AromaticContact CZ-CH2 3.97Å; V489-W515 HydrophobicContact CG2-CZ2 4.32Å; M511-W515 HydrophobicContact CB-CE3 4.3Å; M511-W515 HydrophobicContact CB-CZ3 4.36Å; M511-W515 HydrophobicContact CE-CH2 3.39Å; M511-W515 HydrophobicContact CE-CZ2 3.7Å; M511-W515 HydrophobicContact CE-CZ3 3.87Å; M511-W515 HydrophobicContact CG-CZ3 4.35Å; M511-W515 WeakPolarHBondContact O-CB 3.38Å; M511-W515 PolarHBondContact O-N 2.9Å; A513-W515 PolarHBondContact O-N 2.95Å; W515-A519 WeakPolarHBondContact O-CB 3.5Å; W515-A519 PolarHBondContact O-N 3.46Å; W515-W535 HydrophobicContact CH2-CH2 4.44Å; W515-W535 HydrophobicContact CZ3-CH2 4.15Å; W515-W535 HydrophobicContact CZ3-CZ3 4.05Å; W515-I548 HydrophobicContact CH2-CD1 4.11Å; W515-I548 HydrophobicContact CZ3-CD1 3.88Å
516	T	98.9	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-83.6	-31.6	-175	62.9	0	0	0	0	112.3	M145 L174 V180 I512 A513 Y514 A519 K520	M145-T516 HydrophobicContact SD-CG2 4.11Å; L174-T516 HydrophobicContact CD1-CG2 3.48Å; L174-T516 VanDerWaalsContact CD1-CG2 3.48Å; L174-T516 HydrophobicContact CG-CG2 4.28Å; V180-T516 HydrophobicContact CG1-CG2 4.47Å; V180-T516 HydrophobicContact CG2-CG2 4.06Å; I512-T516 HydrophobicContact CG2-CG2 4.32Å; I512-T516 WeakPolarHBondContact O-CB 3.47Å; I512-T516 WeakPolarHBondContact O-CG2 3.21Å; I512-T516 PolarHBondContact O-N 3.4Å; I512-T516 VanDerWaalsContact O-N 3.08Å; I512-T516 PolarHBondContact O-OG1 3.03Å; A513-T516 PolarHBondContact O-N 3.24Å; A513-T516 PolarHBondContact O-OG1 3.03Å; Y514-T516 VanDerWaalsContact C-N 3.34Å; Y514-T516 PolarHBondContact O-N 2.85Å; T516-A519 PolarHBondContact O-N 3.46Å; T516-K520 VanDerWaalsContact O-CG 3.28Å; T516-K520 WeakPolarHBondContact O-CG 3.48Å; T516-K520 PolarHBondContact O-N 3.01Å
517	N	98.9	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-47.4	167.5	-76.2	-10.1	0	0	0	110.8	A513 A519 K520 T521 P524 R526 G527 S528 L529	A513-N517 WeakPolarHBondContact O-CB 3.38Å; A513-N517 PolarHBondContact O-N 2.88Å; A513-N517 PolarHBondContact O-ND2 3Å; N517-A519 VanDerWaalsContact C-N 3.35Å; N517-A519 PolarHBondContact O-N 2.58Å; N517-K520 WeakPolarHBondContact O-CB 3.49Å; N517-K520 PolarHBondContact O-N 3.47Å; N517-T521 PolarHBondContact O-N 3.3Å; N517-T521 PolarHBondContact O-OG1 3.06Å; N517-P524 WeakPolarHBondContact CB-O 3.43Å; N517-P524 PolarHBondContact ND2-O 2.95Å; N517-P524 VanDerWaalsContact ND2-O 3.15Å; N517-R526 WeakPolarHBondContact CB-O 3.42Å; N517-G527 WeakPolarHBondContact OD1-CA 3.42Å; N517-S528 PolarHBondContact OD1-N 3.21Å; N517-L529 PolarHBondContact ND2-O 3.16Å; N517-L529 PolarHBondContact OD1-N 3.3Å
518	F	98.9	Very high	97.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59	-46.2	174.1	-179.7	-100.8	0	0	0	111.3	T233 R259 I261 D354 M356 Y457 Y514 K520 T521 G522 P524	T233-F518 HydrophobicContact CG2-CD1 4.45Å; T233-F518 HydrophobicContact CG2-CE1 4.44Å; R259-F518 HydrophobicContact CB-CD1 4.39Å; R259-F518 HydrophobicContact CB-CE1 3.6Å; R259-F518 HydrophobicContact CB-CZ 3.98Å; R259-F518 WeakPolarHBondContact CD-O 3.36Å; R259-F518 HydrophobicContact CG-CE1 4.35Å; R259-F518 HydrophobicContact CG-CZ 4.49Å; R259-F518 PolarHBondContact NE-O 3.18Å; I261-F518 HydrophobicContact CD1-CD1 3.91Å; I261-F518 HydrophobicContact CD1-CE1 4.32Å; I261-F518 HydrophobicContact CG1-CD1 3.86Å; I261-F518 HydrophobicContact CG1-CE1 3.77Å; D354-F518 HydrophobicContact CB-CE2 3.7Å; D354-F518 HydrophobicContact CB-CZ 3.6Å; D354-F518 WeakPolarHBondContact O-CZ 3.32Å; M356-F518 HydrophobicContact CE-CB 3.69Å; M356-F518 HydrophobicContact CE-CD1 3.59Å; M356-F518 HydrophobicContact CE-CD2 4.26Å; M356-F518 HydrophobicContact CE-CE1 4.21Å; M356-F518 HydrophobicContact CE-CG 3.58Å; M356-F518 HydrophobicContact CG-CD1 3.97Å; M356-F518 HydrophobicContact CG-CD2 3.68Å; M356-F518 HydrophobicContact CG-CE1 3.76Å; M356-F518 HydrophobicContact CG-CE2 3.49Å; M356-F518 VanDerWaalsContact CG-CE2 3.49Å; M356-F518 HydrophobicContact CG-CG 3.9Å; M356-F518 HydrophobicContact CG-CZ 3.51Å; M356-F518 HydrophobicContact SD-CB 3.94Å; M356-F518 HydrophobicContact SD-CD1 4.09Å; M356-F518 HydrophobicContact SD-CD2 3.7Å; M356-F518 HydrophobicContact SD-CE1 4.49Å; M356-F518 HydrophobicContact SD-CE2 4.16Å; M356-F518 HydrophobicContact SD-CG 3.64Å; Y457-F518 HydrophobicContact CD2-CD2 4.34Å; Y457-F518 AromaticContact CD2-CE2 3.94Å; Y457-F518 HydrophobicContact CD2-CE2 3.94Å; Y457-F518 HydrophobicContact CE2-CD2 4.37Å; Y457-F518 HydrophobicContact CE2-CE2 4.08Å; Y514-F518 WeakPolarHBondContact O-CB 3.02Å; Y514-F518 PolarHBondContact O-N 3.01Å; F518-K520 PolarHBondContact O-N 3.28Å; F518-K520 VanDerWaalsContact O-N 3.15Å; F518-T521 PolarHBondContact O-N 3.5Å; F518-G522 WeakPolarHBondContact CD2-O 3.44Å; F518-G522 WeakPolarHBondContact CE2-O 3.28Å; F518-G522 WeakPolarHBondContact O-CA 3.31Å; F518-G522 PolarHBondContact O-N 3.02Å; F518-P524 HydrophobicContact CB-CG 4.29Å; F518-P524 HydrophobicContact CD2-CG 4.02Å
519	A	98.9	Very high	97.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.5	-24.4	176.3	0	0	0	0	0	113.7	P143 M145 N231 T233 R259 W515 T516 N517	P143-A519 WeakPolarHBondContact CB-O 3.41Å; M145-A519 HydrophobicContact CE-CB 4.2Å; M145-A519 HydrophobicContact CG-CB 3.56Å; M145-A519 HydrophobicContact SD-CB 3.61Å; N231-A519 PolarHBondContact OD1-O 3.2Å; T233-A519 HydrophobicContact CG2-CB 4.37Å; T233-A519 WeakPolarHBondContact OG1-CA 3.49Å; R259-A519 PolarHBondContact NH1-O 2.87Å; W515-A519 WeakPolarHBondContact O-CB 3.5Å; W515-A519 PolarHBondContact O-N 3.46Å; T516-A519 PolarHBondContact O-N 3.46Å; N517-A519 VanDerWaalsContact C-N 3.35Å; N517-A519 PolarHBondContact O-N 2.58Å
520	K	98.7	Very high	97.8	Very high	41 Å²	41	32 Å²	32	18%	0.178	18%	0.18	C	C	.	.	H	α-helix	trans	-81.3	-47.7	176.1	-76.9	169.2	-172.3	-165.3	0	112.8	P143 G178 R259 T516 N517 F518 S528	P143-K520 HydrophobicContact CB-CG 4.37Å; P143-K520 HydrophobicContact CG-CB 4.17Å; P143-K520 HydrophobicContact CG-CD 4.49Å; P143-K520 HydrophobicContact CG-CG 3.35Å; G178-K520 WeakPolarHBondContact O-CE 3.4Å; G178-K520 PolarHBondContact O-NZ 3.18Å; R259-K520 PolarHBondContact NH2-O 3.48Å; R259-K520 VanDerWaalsContact NH2-O 3.14Å; T516-K520 VanDerWaalsContact O-CG 3.28Å; T516-K520 WeakPolarHBondContact O-CG 3.48Å; T516-K520 PolarHBondContact O-N 3.01Å; N517-K520 WeakPolarHBondContact O-CB 3.49Å; N517-K520 PolarHBondContact O-N 3.47Å; F518-K520 PolarHBondContact O-N 3.28Å; F518-K520 VanDerWaalsContact O-N 3.15Å; K520-S528 PolarHBondContact NZ-OG 2.68Å
521	T	98.6	Very high	97.8	Very high	51 Å²	51	31.1 Å²	31.1	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-125.4	-13.8	-161.7	70.8	0	0	0	0	113.8	R455 N517 F518 D523 R526	R455-T521 PolarHBondContact NH1-O 2.93Å; R455-T521 PolarHBondContact NH2-O 3.38Å; N517-T521 PolarHBondContact O-N 3.3Å; N517-T521 PolarHBondContact O-OG1 3.06Å; F518-T521 PolarHBondContact O-N 3.5Å; T521-D523 PolarHBondContact O-N 2.94Å; T521-D523 PolarHBondContact OG1-N 3.01Å; T521-D523 VanDerWaalsContact OG1-N 3.09Å; T521-D523 PolarHBondContact OG1-O 3.26Å; T521-D523 VanDerWaalsContact OG1-O 3.06Å; T521-R526 HydrophobicContact CG2-CB 4.3Å; T521-R526 WeakPolarHBondContact CG2-O 3.35Å; T521-R526 PolarHBondContact OG1-O 2.9Å
522	G	98.5	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	69.8	10.2	-169.1	0	0	0	0	0	114.6	R259 D354 R455 Y457 F518	R259-G522 VanDerWaalsContact CD-CA 3.49Å; D354-G522 WeakPolarHBondContact OD2-CA 3.48Å; R455-G522 PolarHBondContact NE-O 3.31Å; R455-G522 VanDerWaalsContact NH1-C 3.32Å; R455-G522 PolarHBondContact NH1-O 3.06Å; R455-G522 PolarHBondContact NH2-O 3.28Å; Y457-G522 WeakPolarHBondContact CE2-O 3.42Å; F518-G522 WeakPolarHBondContact CD2-O 3.44Å; F518-G522 WeakPolarHBondContact CE2-O 3.28Å; F518-G522 WeakPolarHBondContact O-CA 3.31Å; F518-G522 PolarHBondContact O-N 3.02Å
523	D	98.5	Very high	97.6	Very high	20 Å²	20	33.9 Å²	33.9	11%	0.107	20%	0.198	C	C	.	.			trans	-119.3	115.6	169.6	-177.8	-13.5	0	0	0	107.6	T521 N525 R526	T521-D523 PolarHBondContact O-N 2.94Å; T521-D523 PolarHBondContact OG1-N 3.01Å; T521-D523 VanDerWaalsContact OG1-N 3.09Å; T521-D523 PolarHBondContact OG1-O 3.26Å; T521-D523 VanDerWaalsContact OG1-O 3.06Å; D523-N525 PolarHBondContact O-N 3.28Å; D523-N525 VanDerWaalsContact OD1-CB 3.25Å; D523-N525 WeakPolarHBondContact OD1-CB 3.45Å; D523-N525 PolarHBondContact OD1-N 3Å; D523-N525 PolarHBondContact OD1-ND2 3.06Å; D523-R526 HydrophobicContact CB-CB 4.11Å; D523-R526 HydrophobicContact CB-CG 4.17Å; D523-R526 PolarHBondContact O-N 3.01Å; D523-R526 VanDerWaalsContact OD2-CD 3.3Å; D523-R526 WeakPolarHBondContact OD2-CD 3.35Å; D523-R526 WeakPolarHBondContact OD2-CG 3.41Å; D523-R526 IonicContact OD2-NE 2.76Å; D523-R526 PolarHBondContact OD2-NE 3.29Å
524	P	98.5	Very high	97.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-21.4	-179.7	-22.4	33.9	0	0	0	113	M356 Y457 Y514 N517 F518 V531 W535	M356-P524 HydrophobicContact SD-CB 4.36Å; M356-P524 HydrophobicContact SD-CG 3.57Å; M356-P524 VanDerWaalsContact SD-CG 3.57Å; Y457-P524 HydrophobicContact CD1-CG 3.87Å; Y457-P524 HydrophobicContact CD2-CG 4.14Å; Y457-P524 VanDerWaalsContact CE1-CD 3.46Å; Y457-P524 HydrophobicContact CE1-CG 4.01Å; Y457-P524 HydrophobicContact CE2-CG 4.27Å; Y457-P524 HydrophobicContact CG-CG 3.94Å; Y514-P524 HydrophobicContact CD1-CB 3.68Å; Y514-P524 HydrophobicContact CG-CB 4.36Å; N517-P524 WeakPolarHBondContact CB-O 3.43Å; N517-P524 PolarHBondContact ND2-O 2.95Å; N517-P524 VanDerWaalsContact ND2-O 3.15Å; F518-P524 HydrophobicContact CB-CG 4.29Å; F518-P524 HydrophobicContact CD2-CG 4.02Å; P524-V531 WeakPolarHBondContact O-CG1 3.47Å; P524-W535 HydrophobicContact CB-CB 4.27Å; P524-W535 HydrophobicContact CB-CD2 4.18Å; P524-W535 HydrophobicContact CB-CE3 3.83Å; P524-W535 HydrophobicContact CB-CG 4.43Å; P524-W535 HydrophobicContact CB-CZ3 4.47Å; P524-W535 HydrophobicContact CG-CD2 4.2Å; P524-W535 HydrophobicContact CG-CE3 4.22Å; P524-W535 HydrophobicContact CG-CG 4.4Å
525	N	98.3	Very high	97.4	Very high	40 Å²	40	37.9 Å²	37.9	21%	0.214	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-17	-178.8	-51.5	-65.4	0	0	0	113.8	D523 V531 S534 W535	D523-N525 PolarHBondContact O-N 3.28Å; D523-N525 VanDerWaalsContact OD1-CB 3.25Å; D523-N525 WeakPolarHBondContact OD1-CB 3.45Å; D523-N525 PolarHBondContact OD1-N 3Å; D523-N525 PolarHBondContact OD1-ND2 3.06Å; N525-V531 HydrophobicContact CB-CG2 4.5Å; N525-S534 WeakPolarHBondContact OD1-CA 3.25Å; N525-W535 PolarHBondContact ND2-O 2.84Å; N525-W535 PolarHBondContact OD1-N 3.13Å
526	R	96.7	Very high	97.3	Very high	174 Å²	174	38.9 Å²	38.9	66%	0.657	23%	0.232	S	C	*	.	S	Bend	trans	-116.3	119.5	-171.9	-62.5	-177.2	-174.3	-155.9	-2.9	110.8	N517 T521 D523	N517-R526 WeakPolarHBondContact CB-O 3.42Å; T521-R526 HydrophobicContact CG2-CB 4.3Å; T521-R526 WeakPolarHBondContact CG2-O 3.35Å; T521-R526 PolarHBondContact OG1-O 2.9Å; D523-R526 HydrophobicContact CB-CB 4.11Å; D523-R526 HydrophobicContact CB-CG 4.17Å; D523-R526 PolarHBondContact O-N 3.01Å; D523-R526 VanDerWaalsContact OD2-CD 3.3Å; D523-R526 WeakPolarHBondContact OD2-CD 3.35Å; D523-R526 WeakPolarHBondContact OD2-CG 3.41Å; D523-R526 IonicContact OD2-NE 2.76Å; D523-R526 PolarHBondContact OD2-NE 3.29Å
527	G	93.6	Very high	97.2	Very high	46 Å²	46	43.3 Å²	43.3	47%	0.474	25%	0.253	S	S	.	.	S	Bend	trans	171.1	-147.8	173.7	0	0	0	0	0	111.1	N517	N517-G527 WeakPolarHBondContact OD1-CA 3.42Å
528	S	90.3	Very high	97.1	Very high	73 Å²	73	43.4 Å²	43.4	51%	0.51	25%	0.253	S	S	.	.	S	Bend	trans	-89.1	-15.9	-177	58	0	0	0	0	113.8	N517 K520	N517-S528 PolarHBondContact OD1-N 3.21Å; K520-S528 PolarHBondContact NZ-OG 2.68Å
529	L	96.9	Very high	96.8	Very high	52 Å²	52	45.3 Å²	45.3	27%	0.272	27%	0.267	S	S	.	.	S	Bend	trans	-109.2	135.8	-176.9	-63.5	178.6	0	0	0	109.7	I512 A513 N517	I512-L529 HydrophobicContact CG2-CD1 4.19Å; A513-L529 HydrophobicContact CB-CB 3.71Å; A513-L529 HydrophobicContact CB-CD1 4.15Å; N517-L529 PolarHBondContact ND2-O 3.16Å; N517-L529 PolarHBondContact OD1-N 3.3Å
530	S	97	Very high	95.7	Very high	114 Å²	114	47.9 Å²	47.9	80%	0.797	29%	0.288	S	S	*	.			trans	-70.1	144.8	170.8	53.9	0	0	0	0	110.3
531	V	97.6	Very high	94.9	Very high	36 Å²	36	55.1 Å²	55.1	22%	0.218	32%	0.32	C	S	.	.			trans	-110.4	148	177.2	-66.4	0	0	0	0	110.4	A513 Y514 P524 N525 V533	A513-V531 HydrophobicContact CB-CG1 4.17Å; Y514-V531 HydrophobicContact CD1-CB 4.02Å; Y514-V531 HydrophobicContact CD1-CG1 3.43Å; Y514-V531 VanDerWaalsContact CD1-CG1 3.43Å; Y514-V531 HydrophobicContact CE1-CB 3.4Å; Y514-V531 VanDerWaalsContact CE1-CB 3.4Å; Y514-V531 HydrophobicContact CE1-CG1 3.38Å; Y514-V531 HydrophobicContact CE1-CG2 4.01Å; Y514-V531 HydrophobicContact CG-CG1 4.22Å; P524-V531 WeakPolarHBondContact O-CG1 3.47Å; N525-V531 HydrophobicContact CB-CG2 4.5Å; V531-V533 VanDerWaalsContact C-N 3.33Å; V531-V533 WeakPolarHBondContact CG2-O 3.24Å; V531-V533 PolarHBondContact O-N 3.2Å
532	P	96.3	Very high	94	Very high	46 Å²	46	53.5 Å²	53.5	30%	0.299	31%	0.313	S	S	.	.	S	Bend	trans	-69.2	-32.8	-176.2	28.3	-36.3	0	0	0	112.3	Y510 Y514 M552	Y510-P532 HydrophobicContact CD1-CB 4.05Å; Y510-P532 HydrophobicContact CD1-CG 3.59Å; Y510-P532 HydrophobicContact CD2-CG 4.03Å; Y510-P532 HydrophobicContact CE1-CB 3.86Å; Y510-P532 HydrophobicContact CE1-CG 3.93Å; Y510-P532 HydrophobicContact CE2-CB 4.48Å; Y510-P532 HydrophobicContact CE2-CG 4.35Å; Y510-P532 HydrophobicContact CG-CB 4.45Å; Y510-P532 HydrophobicContact CG-CG 3.65Å; Y514-P532 HydrophobicContact CE2-CG 4.31Å; P532-M552 HydrophobicContact CB-CB 4.06Å; P532-M552 HydrophobicContact CG-CB 3.99Å; P532-M552 HydrophobicContact CG-CE 4.26Å; P532-M552 HydrophobicContact CG-CG 4.43Å; P532-M552 HydrophobicContact CG-SD 3.62Å
533	V	97.3	Very high	93.7	Very high	15 Å²	15	55 Å²	55	9%	0.091	32%	0.321	C	S	.	.	S	Bend	trans	-140.1	158.9	177.3	-66.4	0	0	0	0	111.3	Y514 V531 W535 V546 M552 D553	Y514-V533 WeakPolarHBondContact OH-CG2 3.23Å; Y514-V533 PolarHBondContact OH-N 3.2Å; Y514-V533 PolarHBondContact OH-O 2.75Å; V531-V533 VanDerWaalsContact C-N 3.33Å; V531-V533 WeakPolarHBondContact CG2-O 3.24Å; V531-V533 PolarHBondContact O-N 3.2Å; V533-W535 PolarHBondContact O-N 2.77Å; V533-V546 HydrophobicContact CG2-CG1 4.39Å; V533-M552 HydrophobicContact CG2-CE 3.51Å; V533-D553 WeakPolarHBondContact CG1-O 3.09Å
534	S	97.1	Very high	93.6	Very high	86 Å²	86	57.3 Å²	57.3	60%	0.601	33%	0.33	S	S	*	.			trans	-74.7	124	171.8	-169.6	0	0	0	0	109.4	N525 P536 V557	N525-S534 WeakPolarHBondContact OD1-CA 3.25Å; S534-P536 WeakPolarHBondContact O-CD 2.94Å; S534-V557 WeakPolarHBondContact O-CG2 3.36Å
535	W	97.8	Very high	93.6	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	33%	0.334	C	S	.	.			trans	-86.5	104.5	172.3	-165	-25.5	0	0	0	110.1	M356 Y457 S458 Y459 Y514 W515 P524 N525 V533 V546 I548	M356-W535 HydrophobicContact SD-CH2 4.07Å; M356-W535 HydrophobicContact SD-CZ2 4.37Å; M356-W535 HydrophobicContact SD-CZ3 4.41Å; Y457-W535 AromaticContact CD1-CD1 3.76Å; Y457-W535 HydrophobicContact CD1-CG 4.19Å; S458-W535 WeakPolarHBondContact O-CZ2 3.41Å; S458-W535 PolarHBondContact O-NE1 2.9Å; Y459-W535 VanDerWaalsContact CB-CZ2 3.48Å; Y459-W535 AromaticContact CD1-CH2 3.83Å; Y459-W535 HydrophobicContact CD1-CH2 3.83Å; Y459-W535 AromaticContact CD1-CZ2 4Å; Y459-W535 HydrophobicContact CD1-CZ2 4Å; Y459-W535 AromaticContact CG-CH2 3.99Å; Y459-W535 HydrophobicContact CG-CH2 3.99Å; Y459-W535 HydrophobicContact CG-CZ2 4.15Å; Y514-W535 AromaticContact CD1-CE3 3.54Å; Y514-W535 HydrophobicContact CD1-CE3 3.54Å; Y514-W535 HydrophobicContact CD1-CZ3 4.15Å; Y514-W535 AromaticContact CD2-CE3 3.93Å; Y514-W535 HydrophobicContact CD2-CE3 3.93Å; Y514-W535 AromaticContact CD2-CZ3 3.92Å; Y514-W535 HydrophobicContact CD2-CZ3 3.92Å; Y514-W535 HydrophobicContact CE1-CB 4.12Å; Y514-W535 AromaticContact CE1-CE3 3.86Å; Y514-W535 HydrophobicContact CE1-CE3 3.86Å; Y514-W535 HydrophobicContact CE2-CE3 4.24Å; Y514-W535 AromaticContact CG-CE3 3.57Å; Y514-W535 HydrophobicContact CG-CE3 3.57Å; Y514-W535 AromaticContact CG-CZ3 3.7Å; Y514-W535 HydrophobicContact CG-CZ3 3.7Å; W515-W535 HydrophobicContact CH2-CH2 4.44Å; W515-W535 HydrophobicContact CZ3-CH2 4.15Å; W515-W535 HydrophobicContact CZ3-CZ3 4.05Å; P524-W535 HydrophobicContact CB-CB 4.27Å; P524-W535 HydrophobicContact CB-CD2 4.18Å; P524-W535 HydrophobicContact CB-CE3 3.83Å; P524-W535 HydrophobicContact CB-CG 4.43Å; P524-W535 HydrophobicContact CB-CZ3 4.47Å; P524-W535 HydrophobicContact CG-CD2 4.2Å; P524-W535 HydrophobicContact CG-CE3 4.22Å; P524-W535 HydrophobicContact CG-CG 4.4Å; N525-W535 PolarHBondContact ND2-O 2.84Å; N525-W535 PolarHBondContact OD1-N 3.13Å; V533-W535 PolarHBondContact O-N 2.77Å; W535-V546 HydrophobicContact CB-CG2 3.8Å; W535-V546 HydrophobicContact CD2-CB 4.01Å; W535-V546 HydrophobicContact CD2-CG2 3.83Å; W535-V546 HydrophobicContact CE3-CB 4.49Å; W535-V546 HydrophobicContact CG-CB 4.12Å; W535-V546 HydrophobicContact CG-CG2 3.4Å; W535-I548 HydrophobicContact CH2-CD1 4.04Å; W535-I548 HydrophobicContact CZ3-CD1 3.92Å
536	P	96.9	Very high	93.6	Very high	22 Å²	22	56.2 Å²	56.2	14%	0.143	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-68.6	150.8	179	30.2	-37.2	0	0	0	111.9	S534 F538 Q544 V557	S534-P536 WeakPolarHBondContact O-CD 2.94Å; P536-F538 PolarHBondContact O-N 2.81Å; P536-Q544 HydrophobicContact CB-CB 4.05Å; P536-Q544 HydrophobicContact CB-CG 4.46Å; P536-Q544 HydrophobicContact CG-CB 3.52Å; P536-Q544 HydrophobicContact CG-CG 4.24Å; P536-V557 HydrophobicContact CG-CG1 3.65Å
537	Q	96.9	Very high	93.7	Very high	93 Å²	93	51.2 Å²	51.2	44%	0.435	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-67	132.8	173	-173.1	179.4	-21.5	0	0	110.2	T456 Y457	T456-Q537 WeakPolarHBondContact O-CG 3.34Å; Y457-Q537 HydrophobicContact CE1-CB 4.19Å
538	F	97	Very high	93.9	Very high	1 Å²	1	49 Å²	49	0%	0.004	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-69.9	133.8	171.1	-179.4	-88	0	0	0	109.9	L444 Y445 A448 T456 P536 Q544	L444-F538 HydrophobicContact CB-CD1 4.12Å; L444-F538 HydrophobicContact CB-CE1 3.81Å; L444-F538 HydrophobicContact CB-CZ 4.04Å; Y445-F538 HydrophobicContact CD1-CE1 4.09Å; Y445-F538 AromaticContact CD1-CZ 3.93Å; Y445-F538 HydrophobicContact CD1-CZ 3.93Å; Y445-F538 HydrophobicContact CD2-CZ 4.36Å; Y445-F538 HydrophobicContact CE1-CE1 4.28Å; Y445-F538 AromaticContact CE1-CZ 3.74Å; Y445-F538 HydrophobicContact CE1-CZ 3.74Å; Y445-F538 HydrophobicContact CE2-CZ 4.15Å; Y445-F538 HydrophobicContact CG-CE1 4.41Å; Y445-F538 HydrophobicContact CG-CZ 4.23Å; Y445-F538 AromaticContact CZ-CZ 3.84Å; A448-F538 HydrophobicContact CB-CD1 4.14Å; A448-F538 HydrophobicContact CB-CE1 4.3Å; T456-F538 HydrophobicContact CG2-CB 4.11Å; T456-F538 HydrophobicContact CG2-CD1 3.84Å; T456-F538 HydrophobicContact CG2-CG 4.33Å; T456-F538 WeakPolarHBondContact O-CB 3.49Å; T456-F538 PolarHBondContact O-N 3.49Å; P536-F538 PolarHBondContact O-N 2.81Å; F538-Q544 WeakPolarHBondContact CD2-O 3.25Å
539	S	90.8	Very high	94.2	Very high	41 Å²	41	46.8 Å²	46.8	29%	0.287	27%	0.267	S	S	.	.			trans	-145.1	160.6	174.5	66.2	0	0	0	0	110.3	F541 G542 H543	S539-F541 PolarHBondContact O-N 2.89Å; S539-G542 PolarHBondContact O-N 2.84Å; S539-G542 PolarHBondContact OG-N 2.89Å; S539-H543 PolarHBondContact O-N 2.8Å
540	A	77.6	Confident	94.2	Very high	53 Å²	53	44.4 Å²	44.4	44%	0.438	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.5	177.3	0	0	0	0	0	114.4	H543	A540-H543 PolarHBondContact O-CE1 2.88Å; A540-H543 PolarHBondContact O-NE2 2.8Å; A540-H543 VanDerWaalsContact O-NE2 3.07Å
541	F	80.4	Confident	94.1	Very high	193 Å²	193	44.5 Å²	44.5	85%	0.846	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-41.4	175.9	-59.1	-77	0	0	0	112.2	S539 H543	S539-F541 PolarHBondContact O-N 2.89Å; F541-H543 PolarHBondContact O-CD2 2.92Å; F541-H543 VanDerWaalsContact O-CD2 3.27Å
542	G	80.3	Confident	94	Very high	18 Å²	18	43.7 Å²	43.7	19%	0.186	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-33.5	-176.3	0	0	0	0	0	113.5	S539 Q544	S539-G542 PolarHBondContact O-N 2.84Å; S539-G542 PolarHBondContact OG-N 2.89Å; G542-Q544 VanDerWaalsContact O-CG 3.29Å; G542-Q544 WeakPolarHBondContact O-CG 3.4Å; G542-Q544 PolarHBondContact O-N 3.15Å
543	H	91.4	Very high	93.9	Very high	32 Å²	32	45.2 Å²	45.2	15%	0.148	25%	0.247	C	C	.	.			trans	48.6	30	-176.2	-49.1	-81.7	0	0	0	113.6	Y445 S539 A540 F541 E559 K560	Y445-H543 AromaticContact CE1-CE1 3.52Å; Y445-H543 AromaticContact CE1-ND1 3.29Å; Y445-H543 VanDerWaalsContact CE1-ND1 3.29Å; Y445-H543 WeakPolarHBondContact CE1-ND1 3.2Å; Y445-H543 AromaticContact CZ-CE1 3.85Å; Y445-H543 AromaticContact CZ-ND1 3.37Å; Y445-H543 PolarHBondContact OH-CE1 3.29Å; Y445-H543 PolarHBondContact OH-ND1 2.9Å; S539-H543 PolarHBondContact O-N 2.8Å; A540-H543 PolarHBondContact O-CE1 2.88Å; A540-H543 PolarHBondContact O-NE2 2.8Å; A540-H543 VanDerWaalsContact O-NE2 3.07Å; F541-H543 PolarHBondContact O-CD2 2.92Å; F541-H543 VanDerWaalsContact O-CD2 3.27Å; H543-E559 CarbonylContact O-C 3.54Å; H543-E559 WeakPolarHBondContact O-CA 3.23Å; H543-K560 HydrophobicContact CB-CG 4.12Å; H543-K560 PolarHBondContact O-N 3.36Å
544	Q	96.6	Very high	93.7	Very high	67 Å²	67	49.4 Å²	49.4	31%	0.313	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.2	-168.4	-59.1	178.1	-76.2	0	0	110.6	P536 F538 G542 G558	P536-Q544 HydrophobicContact CB-CB 4.05Å; P536-Q544 HydrophobicContact CB-CG 4.46Å; P536-Q544 HydrophobicContact CG-CB 3.52Å; P536-Q544 HydrophobicContact CG-CG 4.24Å; F538-Q544 WeakPolarHBondContact CD2-O 3.25Å; G542-Q544 VanDerWaalsContact O-CG 3.29Å; G542-Q544 WeakPolarHBondContact O-CG 3.4Å; G542-Q544 PolarHBondContact O-N 3.15Å; Q544-G558 VanDerWaalsContact CA-O 3.31Å; Q544-G558 WeakPolarHBondContact CA-O 3.25Å
545	F	98.2	Very high	93.7	Very high	18 Å²	18	50.7 Å²	50.7	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.6	175.5	72.2	-79.6	0	0	0	110	S458 L460 E547 G558 L561	S458-F545 VanDerWaalsContact O-CA 3.26Å; S458-F545 WeakPolarHBondContact O-CA 3.21Å; L460-F545 HydrophobicContact CB-CD2 4.04Å; L460-F545 HydrophobicContact CB-CE2 4.08Å; L460-F545 HydrophobicContact CD2-CE2 4.49Å; F545-E547 HydrophobicContact CE2-CB 4.24Å; F545-G558 VanDerWaalsContact CD1-C 3.5Å; F545-G558 VanDerWaalsContact CE1-C 3.42Å; F545-G558 PolarHBondContact N-O 3.17Å; F545-G558 PolarHBondContact O-N 2.83Å; F545-L561 HydrophobicContact CD1-CB 3.63Å; F545-L561 HydrophobicContact CD1-CD2 4.49Å; F545-L561 HydrophobicContact CD1-CG 4.46Å; F545-L561 HydrophobicContact CD2-CD1 4.43Å; F545-L561 HydrophobicContact CD2-CD2 4.08Å; F545-L561 HydrophobicContact CE1-CB 3.67Å; F545-L561 HydrophobicContact CE1-CD1 4.11Å; F545-L561 HydrophobicContact CE1-CG 4.37Å; F545-L561 HydrophobicContact CE2-CD1 3.93Å; F545-L561 HydrophobicContact CE2-CD2 4.39Å; F545-L561 HydrophobicContact CG-CB 4.1Å; F545-L561 HydrophobicContact CG-CD2 4.14Å; F545-L561 HydrophobicContact CZ-CB 4.2Å; F545-L561 HydrophobicContact CZ-CD1 3.75Å; F545-L561 HydrophobicContact CZ-CG 4.43Å
546	V	98.5	Very high	93.7	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.5	169.9	172.8	0	0	0	0	109.5	S458 Y459 L460 V533 W535 I548 M552 S556 V557	S458-V546 PolarHBondContact O-N 3.32Å; S458-V546 VanDerWaalsContact O-N 3.12Å; Y459-V546 CarbonylContact C-O 3.54Å; Y459-V546 WeakPolarHBondContact CA-O 3.23Å; Y459-V546 VanDerWaalsContact CB-O 3.3Å; Y459-V546 WeakPolarHBondContact CB-O 3.43Å; L460-V546 PolarHBondContact N-O 3.19Å; V533-V546 HydrophobicContact CG2-CG1 4.39Å; W535-V546 HydrophobicContact CB-CG2 3.8Å; W535-V546 HydrophobicContact CD2-CB 4.01Å; W535-V546 HydrophobicContact CD2-CG2 3.83Å; W535-V546 HydrophobicContact CE3-CB 4.49Å; W535-V546 HydrophobicContact CG-CB 4.12Å; W535-V546 HydrophobicContact CG-CG2 3.4Å; V546-I548 HydrophobicContact CG1-CG1 3.92Å; V546-M552 HydrophobicContact CG1-CE 3.29Å; V546-S556 WeakPolarHBondContact CA-O 3.29Å; V546-V557 HydrophobicContact CG2-CG2 4.37Å
547	E	98.6	Very high	93.7	Very high	69 Å²	69	52.2 Å²	52.2	32%	0.322	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.3	167	-171.5	176.2	162.9	0	0	109.8	L460 S462 F545 M552 S556	L460-E547 CarbonylContact O-C 3.58Å; L460-E547 VanDerWaalsContact O-CA 3.25Å; L460-E547 WeakPolarHBondContact O-CA 3.4Å; S462-E547 VanDerWaalsContact CB-OE1 3.28Å; S462-E547 WeakPolarHBondContact CB-OE1 3.35Å; S462-E547 VanDerWaalsContact OG-CD 3.31Å; S462-E547 WeakPolarHBondContact OG-CG 3.11Å; S462-E547 PolarHBondContact OG-OE1 3.26Å; F545-E547 HydrophobicContact CE2-CB 4.24Å; E547-M552 WeakPolarHBondContact O-CE 3.37Å; E547-S556 PolarHBondContact N-O 3.12Å; E547-S556 WeakPolarHBondContact O-CB 3.2Å
548	I	98.5	Very high	93.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.1	-174.1	-56.3	175.2	0	0	0	109.8	Y459 L460 F461 S462 M511 W515 W535 V546 M552	Y459-I548 HydrophobicContact CD2-CD1 4.08Å; Y459-I548 HydrophobicContact CG-CD1 4.12Å; L460-I548 PolarHBondContact O-N 3.05Å; F461-I548 HydrophobicContact CD2-CB 4.21Å; F461-I548 HydrophobicContact CD2-CG2 4.14Å; F461-I548 WeakPolarHBondContact CD2-O 3.43Å; S462-I548 PolarHBondContact N-O 3.13Å; M511-I548 HydrophobicContact CG-CG2 3.77Å; M511-I548 HydrophobicContact SD-CG2 4.47Å; W515-I548 HydrophobicContact CH2-CD1 4.11Å; W515-I548 HydrophobicContact CZ3-CD1 3.88Å; W535-I548 HydrophobicContact CH2-CD1 4.04Å; W535-I548 HydrophobicContact CZ3-CD1 3.92Å; V546-I548 HydrophobicContact CG1-CG1 3.92Å; I548-M552 HydrophobicContact CG1-CE 4.32Å; I548-M552 HydrophobicContact CG2-SD 4.19Å
549	N	97.1	Very high	93.6	Very high	25 Å²	25	54.2 Å²	54.2	13%	0.134	31%	0.305	C	S	.	.	S	Bend	trans	-154.8	-172.1	171.3	58.5	57	0	0	0	110.1	S462 E463 D551 M552	S462-N549 PolarHBondContact OG-ND2 3.48Å; E463-N549 HydrophobicContact CB-CB 4.25Å; E463-N549 WeakPolarHBondContact OE2-CB 3.45Å; N549-D551 VanDerWaalsContact C-N 3.3Å; N549-D551 PolarHBondContact O-N 3.01Å; N549-D551 PolarHBondContact OD1-N 3.43Å; N549-M552 WeakPolarHBondContact O-CG 3.27Å
550	G	95.8	Very high	93.8	Very high	2 Å²	2	57 Å²	57	2%	0.021	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-20	-179	0	0	0	0	0	115.2	E463 R503	E463-G550 PolarHBondContact OE2-N 2.85Å; R503-G550 WeakPolarHBondContact O-CA 3.27Å
551	D	94.8	Very high	94.7	Very high	117 Å²	117	55 Å²	55	63%	0.626	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	44.1	-170.9	-62.8	-43.5	0	0	0	111.5	N549	N549-D551 VanDerWaalsContact C-N 3.3Å; N549-D551 PolarHBondContact O-N 3.01Å; N549-D551 PolarHBondContact OD1-N 3.43Å
552	M	96.7	Very high	95.5	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.089	27%	0.269	C	S	.	.			trans	-68.6	132.2	-177.1	-67.7	-174.3	81.8	0	0	113.5	Y510 Y514 P532 V533 V546 E547 I548 N549 S556	Y510-M552 HydrophobicContact CD2-CB 4.32Å; Y510-M552 HydrophobicContact CD2-CG 3.94Å; Y510-M552 HydrophobicContact CD2-SD 3.64Å; Y510-M552 HydrophobicContact CE2-CB 4.15Å; Y510-M552 HydrophobicContact CE2-CG 4.18Å; Y510-M552 HydrophobicContact CE2-SD 4.4Å; Y510-M552 HydrophobicContact CG-SD 4.09Å; Y514-M552 HydrophobicContact CE2-CE 4.03Å; Y514-M552 HydrophobicContact CE2-SD 4.17Å; P532-M552 HydrophobicContact CB-CB 4.06Å; P532-M552 HydrophobicContact CG-CB 3.99Å; P532-M552 HydrophobicContact CG-CE 4.26Å; P532-M552 HydrophobicContact CG-CG 4.43Å; P532-M552 HydrophobicContact CG-SD 3.62Å; V533-M552 HydrophobicContact CG2-CE 3.51Å; V546-M552 HydrophobicContact CG1-CE 3.29Å; E547-M552 WeakPolarHBondContact O-CE 3.37Å; I548-M552 HydrophobicContact CG1-CE 4.32Å; I548-M552 HydrophobicContact CG2-SD 4.19Å; N549-M552 WeakPolarHBondContact O-CG 3.27Å; M552-S556 WeakPolarHBondContact CA-OG 3.13Å
553	D	94.7	Very high	96.2	Very high	78 Å²	78	51.8 Å²	51.8	42%	0.417	28%	0.275	S	S	.	.			trans	-147	-175.2	171.2	71.9	25.6	0	0	0	110.9	V533 T555 S556	V533-D553 WeakPolarHBondContact CG1-O 3.09Å; D553-T555 PolarHBondContact O-N 3.07Å; D553-T555 WeakPolarHBondContact OD1-CA 3.14Å; D553-T555 VanDerWaalsContact OD1-CB 3.24Å; D553-T555 WeakPolarHBondContact OD1-CB 3.43Å; D553-T555 WeakPolarHBondContact OD1-CG2 3.26Å; D553-T555 PolarHBondContact OD1-N 3.31Å; D553-T555 PolarHBondContact OD1-OG1 2.89Å; D553-S556 PolarHBondContact N-OG 2.95Å; D553-S556 VanDerWaalsContact N-OG 3.12Å; D553-S556 WeakPolarHBondContact O-CB 3.32Å; D553-S556 PolarHBondContact O-N 3.5Å; D553-S556 PolarHBondContact O-OG 3.2Å; D553-S556 VanDerWaalsContact O-OG 3.07Å
554	S	92.8	Very high	96.4	Very high	103 Å²	103	54.6 Å²	54.6	72%	0.72	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-54.3	-20.4	-177.7	54.1	0	0	0	0	115.2	S556	S554-S556 VanDerWaalsContact C-N 3.33Å
555	T	95.7	Very high	96.4	Very high	113 Å²	113	52.2 Å²	52.2	69%	0.693	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-79.8	-13.6	176.1	71.8	0	0	0	0	113.6	D553 V557	D553-T555 PolarHBondContact O-N 3.07Å; D553-T555 WeakPolarHBondContact OD1-CA 3.14Å; D553-T555 VanDerWaalsContact OD1-CB 3.24Å; D553-T555 WeakPolarHBondContact OD1-CB 3.43Å; D553-T555 WeakPolarHBondContact OD1-CG2 3.26Å; D553-T555 PolarHBondContact OD1-N 3.31Å; D553-T555 PolarHBondContact OD1-OG1 2.89Å; T555-V557 PolarHBondContact O-N 3.43Å
556	S	97.7	Very high	96.3	Very high	8 Å²	8	51.5 Å²	51.5	6%	0.056	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-66.5	-12	173	-56.9	0	0	0	0	113.5	V546 E547 M552 D553 S554	V546-S556 WeakPolarHBondContact CA-O 3.29Å; E547-S556 PolarHBondContact N-O 3.12Å; E547-S556 WeakPolarHBondContact O-CB 3.2Å; M552-S556 WeakPolarHBondContact CA-OG 3.13Å; D553-S556 PolarHBondContact N-OG 2.95Å; D553-S556 VanDerWaalsContact N-OG 3.12Å; D553-S556 WeakPolarHBondContact O-CB 3.32Å; D553-S556 PolarHBondContact O-N 3.5Å; D553-S556 PolarHBondContact O-OG 3.2Å; D553-S556 VanDerWaalsContact O-OG 3.07Å; S554-S556 VanDerWaalsContact C-N 3.33Å
557	V	97.8	Very high	96.2	Very high	47 Å²	47	54.7 Å²	54.7	29%	0.285	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	110.1	173.5	-178.4	0	0	0	0	109.1	S534 P536 V546 T555	S534-V557 WeakPolarHBondContact O-CG2 3.36Å; P536-V557 HydrophobicContact CG-CG1 3.65Å; V546-V557 HydrophobicContact CG2-CG2 4.37Å; T555-V557 PolarHBondContact O-N 3.43Å
558	G	96.3	Very high	96.2	Very high	21 Å²	21	51.5 Å²	51.5	22%	0.216	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	173	177.4	0	0	0	0	0	113	Q544 F545	Q544-G558 VanDerWaalsContact CA-O 3.31Å; Q544-G558 WeakPolarHBondContact CA-O 3.25Å; F545-G558 VanDerWaalsContact CD1-C 3.5Å; F545-G558 VanDerWaalsContact CE1-C 3.42Å; F545-G558 PolarHBondContact N-O 3.17Å; F545-G558 PolarHBondContact O-N 2.83Å
559	E	95.9	Very high	96.1	Very high	115 Å²	115	52.6 Å²	52.6	54%	0.537	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	157.5	171.1	60	167.9	-134.2	0	0	110.6	H543 L561	H543-E559 CarbonylContact O-C 3.54Å; H543-E559 WeakPolarHBondContact O-CA 3.23Å; E559-L561 VanDerWaalsContact C-N 3.33Å; E559-L561 PolarHBondContact O-N 3.17Å
560	K	95.1	Very high	96.1	Very high	99 Å²	99	54.6 Å²	54.6	43%	0.43	29%	0.29	S	S	.	.	S	Bend	trans	57.2	43.1	170.6	-56.6	176.4	-178.1	127.1	0	113.1	H543 R562 L563	H543-K560 HydrophobicContact CB-CG 4.12Å; H543-K560 PolarHBondContact O-N 3.36Å; K560-R562 PolarHBondContact O-N 3.27Å; K560-L563 HydrophobicContact CB-CB 3.91Å; K560-L563 HydrophobicContact CB-CD2 3.95Å; K560-L563 HydrophobicContact CD-CD2 4.05Å; K560-L563 HydrophobicContact CG-CD2 3.93Å; K560-L563 WeakPolarHBondContact O-CB 3.25Å; K560-L563 PolarHBondContact O-N 2.79Å
561	L	96.6	Very high	96	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.068	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	109	-179.4	-178.3	55.4	0	0	0	111.2	L437 L460 F545 E559 L563	L437-L561 HydrophobicContact CD1-CD2 3.74Å; L437-L561 HydrophobicContact CD1-CG 4.22Å; L460-L561 HydrophobicContact CB-CD2 4.2Å; L460-L561 HydrophobicContact CD1-CD2 4.4Å; L460-L561 HydrophobicContact CD2-CD1 4.06Å; F545-L561 HydrophobicContact CD1-CB 3.63Å; F545-L561 HydrophobicContact CD1-CD2 4.49Å; F545-L561 HydrophobicContact CD1-CG 4.46Å; F545-L561 HydrophobicContact CD2-CD1 4.43Å; F545-L561 HydrophobicContact CD2-CD2 4.08Å; F545-L561 HydrophobicContact CE1-CB 3.67Å; F545-L561 HydrophobicContact CE1-CD1 4.11Å; F545-L561 HydrophobicContact CE1-CG 4.37Å; F545-L561 HydrophobicContact CE2-CD1 3.93Å; F545-L561 HydrophobicContact CE2-CD2 4.39Å; F545-L561 HydrophobicContact CG-CB 4.1Å; F545-L561 HydrophobicContact CG-CD2 4.14Å; F545-L561 HydrophobicContact CZ-CB 4.2Å; F545-L561 HydrophobicContact CZ-CD1 3.75Å; F545-L561 HydrophobicContact CZ-CG 4.43Å; E559-L561 VanDerWaalsContact C-N 3.33Å; E559-L561 PolarHBondContact O-N 3.17Å; L561-L563 PolarHBondContact O-N 3.45Å
562	R	95.8	Very high	96.1	Very high	84 Å²	84	55.7 Å²	55.7	32%	0.317	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	32.7	178.1	-64.6	-172.8	55.9	86.9	3.2	113.7	D433 L437 K560 R564 F565 V566	D433-R562 IonicContact OD1-CZ 2.86Å; D433-R562 IonicContact OD1-NE 3.36Å; D433-R562 PolarHBondContact OD1-NE 2.95Å; D433-R562 IonicContact OD1-NH2 3.45Å; D433-R562 PolarHBondContact OD1-NH2 3.47Å; D433-R562 IonicContact OD2-CZ 3.4Å; D433-R562 IonicContact OD2-NE 2.69Å; D433-R562 IonicContact OD2-NH2 3.54Å; D433-R562 PolarHBondContact OD2-NH2 2.91Å; L437-R562 HydrophobicContact CD2-CB 3.88Å; L437-R562 HydrophobicContact CD2-CG 3.96Å; K560-R562 PolarHBondContact O-N 3.27Å; R562-R564 PolarHBondContact O-N 3.4Å; R562-F565 HydrophobicContact CB-CD2 3.96Å; R562-F565 HydrophobicContact CG-CD2 4.48Å; R562-F565 WeakPolarHBondContact O-CB 3.36Å; R562-F565 PolarHBondContact O-N 3.5Å; R562-V566 PolarHBondContact O-N 2.9Å; R562-V566 VanDerWaalsContact O-N 3.11Å
563	L	94.8	Very high	96.1	Very high	58 Å²	58	55.7 Å²	55.7	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-55.7	-32.1	-171	-175.7	64.7	0	0	0	114.2	K560 L561 F565 V566 N567	K560-L563 HydrophobicContact CB-CB 3.91Å; K560-L563 HydrophobicContact CB-CD2 3.95Å; K560-L563 HydrophobicContact CD-CD2 4.05Å; K560-L563 HydrophobicContact CG-CD2 3.93Å; K560-L563 WeakPolarHBondContact O-CB 3.25Å; K560-L563 PolarHBondContact O-N 2.79Å; L561-L563 PolarHBondContact O-N 3.45Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 3.33Å; L563-V566 HydrophobicContact CD1-CB 4.47Å; L563-V566 PolarHBondContact O-N 3.19Å; L563-N567 WeakPolarHBondContact O-CB 3.35Å; L563-N567 PolarHBondContact O-N 3.49Å
564	R	95.6	Very high	96.1	Very high	91 Å²	91	55.2 Å²	55.2	34%	0.343	30%	0.296	S	S	.	.	H	α-helix	trans	-54.8	-47.8	173.2	178.6	176.5	72.7	-161.4	4.9	111.5	T409 D413 R562 F568	T409-R564 HydrophobicContact CG2-CG 4.15Å; D413-R564 IonicContact OD1-NH1 3.37Å; D413-R564 PolarHBondContact OD1-NH1 2.96Å; D413-R564 IonicContact OD2-CZ 3.27Å; D413-R564 VanDerWaalsContact OD2-CZ 3.27Å; D413-R564 IonicContact OD2-NH1 2.82Å; D413-R564 PolarHBondContact OD2-NH1 2.79Å; D413-R564 IonicContact OD2-NH2 3.8Å; D413-R564 PolarHBondContact OD2-NH2 2.65Å; R562-R564 PolarHBondContact O-N 3.4Å; R564-F568 PolarHBondContact O-N 2.89Å
565	F	97.9	Very high	96.2	Very high	17 Å²	17	56.2 Å²	56.2	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-74	-40.4	-178.9	-56	-79.4	0	0	0	110.9	T409 Y410 I438 R562 L563 N567 F568 W569	T409-F565 HydrophobicContact CG2-CD1 3.76Å; T409-F565 HydrophobicContact CG2-CE1 4Å; Y410-F565 HydrophobicContact CD1-CD1 4.05Å; Y410-F565 AromaticContact CD1-CE1 3.53Å; Y410-F565 HydrophobicContact CD1-CE1 3.53Å; Y410-F565 HydrophobicContact CD1-CZ 4.37Å; Y410-F565 HydrophobicContact CD2-CD1 4.33Å; Y410-F565 HydrophobicContact CD2-CE1 4.28Å; Y410-F565 AromaticContact CE1-CD1 3.62Å; Y410-F565 HydrophobicContact CE1-CD1 3.62Å; Y410-F565 AromaticContact CE1-CE1 3.55Å; Y410-F565 HydrophobicContact CE1-CE1 3.55Å; Y410-F565 HydrophobicContact CE1-CZ 4.43Å; Y410-F565 AromaticContact CE2-CD1 3.94Å; Y410-F565 HydrophobicContact CE2-CD1 3.94Å; Y410-F565 HydrophobicContact CE2-CE1 4.29Å; Y410-F565 HydrophobicContact CG-CD1 4.37Å; Y410-F565 AromaticContact CG-CE1 3.9Å; Y410-F565 HydrophobicContact CG-CE1 3.9Å; Y410-F565 AromaticContact CZ-CD1 3.54Å; Y410-F565 AromaticContact CZ-CE1 3.93Å; I438-F565 HydrophobicContact CD1-CB 4.04Å; R562-F565 HydrophobicContact CB-CD2 3.96Å; R562-F565 HydrophobicContact CG-CD2 4.48Å; R562-F565 WeakPolarHBondContact O-CB 3.36Å; R562-F565 PolarHBondContact O-N 3.5Å; L563-F565 VanDerWaalsContact C-N 3.31Å; L563-F565 PolarHBondContact O-N 3.33Å; F565-N567 VanDerWaalsContact C-N 3.34Å; F565-N567 PolarHBondContact O-N 3.49Å; F565-F568 PolarHBondContact O-N 3.36Å; F565-W569 PolarHBondContact O-N 2.85Å
566	V	96.8	Very high	96.1	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-51.2	172.6	-179.8	0	0	0	0	110.6	I438 Q441 Y445 R562 L563 F568 W569 T570	I438-V566 HydrophobicContact CD1-CB 4.16Å; I438-V566 HydrophobicContact CD1-CG2 3.47Å; I438-V566 VanDerWaalsContact CD1-CG2 3.47Å; Q441-V566 HydrophobicContact CB-CG1 4.32Å; Q441-V566 HydrophobicContact CB-CG2 3.95Å; Q441-V566 HydrophobicContact CG-CG2 4.01Å; Y445-V566 HydrophobicContact CE2-CG1 4.15Å; R562-V566 PolarHBondContact O-N 2.9Å; R562-V566 VanDerWaalsContact O-N 3.11Å; L563-V566 HydrophobicContact CD1-CB 4.47Å; L563-V566 PolarHBondContact O-N 3.19Å; V566-F568 PolarHBondContact O-N 3.16Å; V566-W569 PolarHBondContact O-N 2.66Å; V566-T570 HydrophobicContact CG1-CG2 4.3Å; V566-T570 WeakPolarHBondContact O-CB 3.38Å; V566-T570 WeakPolarHBondContact O-CG2 3.46Å; V566-T570 PolarHBondContact O-N 2.76Å; V566-T570 PolarHBondContact O-OG1 3.47Å
567	N	95.9	Very high	95.8	Very high	67 Å²	67	56.5 Å²	56.5	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-38.4	178.6	-178.8	60	0	0	0	112.4	L563 F565 N571 I572	L563-N567 WeakPolarHBondContact O-CB 3.35Å; L563-N567 PolarHBondContact O-N 3.49Å; F565-N567 VanDerWaalsContact C-N 3.34Å; F565-N567 PolarHBondContact O-N 3.49Å; N567-N571 WeakPolarHBondContact O-CA 3.25Å; N567-N571 VanDerWaalsContact O-CB 3.31Å; N567-N571 WeakPolarHBondContact O-CB 3.49Å; N567-N571 PolarHBondContact O-N 3.48Å; N567-N571 PolarHBondContact OD1-ND2 3.42Å; N567-I572 PolarHBondContact O-N 2.85Å
568	F	97.8	Very high	95.2	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	30%	0.3	C	S	.	.	I	π-helix	trans	-58.8	-56.8	175.6	167.2	-106.3	0	0	0	111.7	T395 N405 A406 T409 R564 F565 V566 I572 L573	T395-F568 HydrophobicContact CG2-CZ 4.49Å; N405-F568 HydrophobicContact CB-CD2 4.38Å; N405-F568 HydrophobicContact CB-CE2 3.68Å; A406-F568 VanDerWaalsContact CA-CZ 3.44Å; A406-F568 HydrophobicContact CB-CE1 3.76Å; A406-F568 HydrophobicContact CB-CE2 4.36Å; A406-F568 HydrophobicContact CB-CZ 3.45Å; A406-F568 VanDerWaalsContact CB-CZ 3.45Å; T409-F568 HydrophobicContact CG2-CB 4.01Å; T409-F568 HydrophobicContact CG2-CG 4.21Å; R564-F568 PolarHBondContact O-N 2.89Å; F565-F568 PolarHBondContact O-N 3.36Å; V566-F568 PolarHBondContact O-N 3.16Å; F568-I572 HydrophobicContact CD2-CB 4.17Å; F568-I572 HydrophobicContact CD2-CG2 4.31Å; F568-I572 PolarHBondContact O-N 3.31Å; F568-L573 HydrophobicContact CE2-CB 4.14Å; F568-L573 HydrophobicContact CE2-CD1 4.45Å; F568-L573 HydrophobicContact CZ-CB 4.06Å; F568-L573 HydrophobicContact CZ-CD1 4.02Å; F568-L573 HydrophobicContact CZ-CD2 4.47Å; F568-L573 HydrophobicContact CZ-CG 4.42Å; F568-L573 WeakPolarHBondContact O-CB 3.46Å; F568-L573 PolarHBondContact O-N 3Å
569	W	97.6	Very high	94.4	Very high	24 Å²	24	62.5 Å²	62.5	9%	0.091	32%	0.32	C	S	.	.	I	π-helix	trans	-71.6	-35.4	-174	-73.6	111.8	0	0	0	113.8	F394 T395 Y410 Y434 I438 F565 V566 L573 P574	F394-W569 HydrophobicContact CB-CH2 3.91Å; F394-W569 HydrophobicContact CB-CZ3 4.44Å; T395-W569 HydrophobicContact CG2-CH2 3.99Å; T395-W569 HydrophobicContact CG2-CZ3 4.02Å; Y410-W569 HydrophobicContact CE2-CZ2 4.05Å; Y410-W569 AromaticContact CE2-NE1 3.74Å; Y410-W569 AromaticContact CZ-NE1 3.76Å; Y410-W569 PolarHBondContact OH-NE1 3.46Å; Y434-W569 HydrophobicContact CD2-CE3 4.09Å; Y434-W569 AromaticContact CD2-CH2 3.76Å; Y434-W569 HydrophobicContact CD2-CH2 3.76Å; Y434-W569 HydrophobicContact CD2-CZ2 4.23Å; Y434-W569 AromaticContact CD2-CZ3 3.67Å; Y434-W569 HydrophobicContact CD2-CZ3 3.67Å; Y434-W569 HydrophobicContact CE2-CE3 4.47Å; Y434-W569 HydrophobicContact CE2-CH2 4.34Å; Y434-W569 AromaticContact CE2-CZ3 3.94Å; Y434-W569 HydrophobicContact CE2-CZ3 3.94Å; I438-W569 HydrophobicContact CG1-CG 4.47Å; I438-W569 HydrophobicContact CG2-CB 3.71Å; I438-W569 HydrophobicContact CG2-CG 4.3Å; F565-W569 PolarHBondContact O-N 2.85Å; V566-W569 PolarHBondContact O-N 2.66Å; W569-L573 HydrophobicContact CE3-CD2 3.42Å; W569-L573 VanDerWaalsContact CE3-CD2 3.42Å; W569-L573 HydrophobicContact CZ3-CD2 3.48Å; W569-L573 VanDerWaalsContact CZ3-CD2 3.48Å; W569-P574 VanDerWaalsContact O-CD 3.31Å; W569-P574 WeakPolarHBondContact O-CD 3.33Å; W569-P574 WeakPolarHBondContact O-CG 3.24Å
570	T	95.4	Very high	92.6	Very high	67 Å²	67	66.4 Å²	66.4	41%	0.411	33%	0.331	S	S	.	.	I	π-helix	trans	-93.3	-18.9	-174.2	62.9	0	0	0	0	114.1	I438 A442 V566	I438-T570 HydrophobicContact CG2-CG2 3.87Å; A442-T570 HydrophobicContact CB-CG2 4.17Å; V566-T570 HydrophobicContact CG1-CG2 4.3Å; V566-T570 WeakPolarHBondContact O-CB 3.38Å; V566-T570 WeakPolarHBondContact O-CG2 3.46Å; V566-T570 PolarHBondContact O-N 2.76Å; V566-T570 PolarHBondContact O-OG1 3.47Å
571	N	94.8	Very high	90.5	Very high	79 Å²	79	66.2 Å²	66.2	42%	0.422	35%	0.348	S	S	.	.	I	π-helix	trans	-129.8	-49.6	-174.1	-178	31.9	0	0	0	112.9	N567 N575	N567-N571 WeakPolarHBondContact O-CA 3.25Å; N567-N571 VanDerWaalsContact O-CB 3.31Å; N567-N571 WeakPolarHBondContact O-CB 3.49Å; N567-N571 PolarHBondContact O-N 3.48Å; N567-N571 PolarHBondContact OD1-ND2 3.42Å; N571-N575 WeakPolarHBondContact O-CB 3.2Å; N571-N575 PolarHBondContact O-ND2 3.32Å; N571-N575 PolarHBondContact OD1-ND2 2.87Å
572	I	96.6	Very high	87.6	Confident	63 Å²	63	72.9 Å²	72.9	32%	0.323	38%	0.384	S	S	.	.	I	π-helix	trans	-71.1	-56.6	-177.3	-58.2	177.8	0	0	0	111	N567 F568 N575 L576	N567-I572 PolarHBondContact O-N 2.85Å; F568-I572 HydrophobicContact CD2-CB 4.17Å; F568-I572 HydrophobicContact CD2-CG2 4.31Å; F568-I572 PolarHBondContact O-N 3.31Å; I572-N575 PolarHBondContact O-N 2.86Å; I572-L576 PolarHBondContact O-N 2.88Å
573	L	96.1	Very high	84.5	Confident	18 Å²	18	74.7 Å²	74.7	9%	0.094	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-46.4	-174.6	-177.8	74.4	0	0	0	112.9	T395 K398 F568 W569 N575 L576	T395-L573 HydrophobicContact CG2-CD1 3.89Å; T395-L573 HydrophobicContact CG2-CD2 4.15Å; K398-L573 HydrophobicContact CB-CD1 3.96Å; K398-L573 VanDerWaalsContact CE-O 3.23Å; K398-L573 WeakPolarHBondContact CE-O 3.43Å; K398-L573 HydrophobicContact CG-CD1 3.66Å; K398-L573 HydrophobicContact CG-CG 4.07Å; F568-L573 HydrophobicContact CE2-CB 4.14Å; F568-L573 HydrophobicContact CE2-CD1 4.45Å; F568-L573 HydrophobicContact CZ-CB 4.06Å; F568-L573 HydrophobicContact CZ-CD1 4.02Å; F568-L573 HydrophobicContact CZ-CD2 4.47Å; F568-L573 HydrophobicContact CZ-CG 4.42Å; F568-L573 WeakPolarHBondContact O-CB 3.46Å; F568-L573 PolarHBondContact O-N 3Å; W569-L573 HydrophobicContact CE3-CD2 3.42Å; W569-L573 VanDerWaalsContact CE3-CD2 3.42Å; W569-L573 HydrophobicContact CZ3-CD2 3.48Å; W569-L573 VanDerWaalsContact CZ3-CD2 3.48Å; L573-N575 VanDerWaalsContact C-N 3.26Å; L573-N575 PolarHBondContact O-N 3.26Å; L573-L576 HydrophobicContact CD1-CD1 4.24Å; L573-L576 WeakPolarHBondContact O-CB 3.4Å; L573-L576 PolarHBondContact O-N 3.4Å; L573-L576 VanDerWaalsContact O-N 3.15Å
574	P	94.6	Very high	81.5	Confident	68 Å²	68	84.7 Å²	84.7	44%	0.442	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32.4	-180	-25.1	37.3	0	0	0	113.5	K398 W569 L576	K398-P574 PolarHBondContact NZ-O 3.27Å; W569-P574 VanDerWaalsContact O-CD 3.31Å; W569-P574 WeakPolarHBondContact O-CD 3.33Å; W569-P574 WeakPolarHBondContact O-CG 3.24Å; P574-L576 VanDerWaalsContact C-N 3.3Å; P574-L576 PolarHBondContact O-N 3.37Å
575	N	95	Very high	80.8	Confident	124 Å²	124	84.4 Å²	84.4	66%	0.663	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.8	179.4	-76.3	-44.1	0	0	0	114.1	N571 I572 L573	N571-N575 WeakPolarHBondContact O-CB 3.2Å; N571-N575 PolarHBondContact O-ND2 3.32Å; N571-N575 PolarHBondContact OD1-ND2 2.87Å; I572-N575 PolarHBondContact O-N 2.86Å; L573-N575 VanDerWaalsContact C-N 3.26Å; L573-N575 PolarHBondContact O-N 3.26Å
576	L	93.9	Very high	79.9	Confident	33 Å²	33	87.9 Å²	87.9	17%	0.173	48%	0.48	C	S	.	.	S	Bend	trans	-73.2	150.7	171	-62.5	-179.1	0	0	0	110.9	K398 L401 I572 L573 P574 T578	K398-L576 HydrophobicContact CB-CB 4.49Å; K398-L576 HydrophobicContact CD-CB 4.19Å; K398-L576 HydrophobicContact CG-CB 4.47Å; K398-L576 PolarHBondContact NZ-O 2.86Å; L401-L576 HydrophobicContact CB-CD1 4.33Å; I572-L576 PolarHBondContact O-N 2.88Å; L573-L576 HydrophobicContact CD1-CD1 4.24Å; L573-L576 WeakPolarHBondContact O-CB 3.4Å; L573-L576 PolarHBondContact O-N 3.4Å; L573-L576 VanDerWaalsContact O-N 3.15Å; P574-L576 VanDerWaalsContact C-N 3.3Å; P574-L576 PolarHBondContact O-N 3.37Å; L576-T578 PolarHBondContact O-N 3.38Å
577	P	91.1	Very high	79	Confident	93 Å²	93	92.6 Å²	92.6	60%	0.604	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-55.7	132.5	174.2	-23.4	33.6	0	0	0	111.7
578	T	85.4	Confident	78	Confident	66 Å²	66	94.1 Å²	94.1	41%	0.405	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-80.3	133.9	173.1	-53.5	0	0	0	0	109.2	D397 K398 L576 Y580	D397-T578 WeakPolarHBondContact O-CA 3.41Å; D397-T578 WeakPolarHBondContact O-CG2 3.31Å; K398-T578 PolarHBondContact NZ-OG1 3.11Å; L576-T578 PolarHBondContact O-N 3.38Å; T578-Y580 PolarHBondContact O-N 3.48Å
579	M	78.7	Confident	76.7	Confident	129 Å²	129	99.9 Å²	99.9	64%	0.635	55%	0.546	S	S	*	.			trans	-76.6	104.3	167.9	-68.3	-67.9	-63.3	0	0	107.5	D397 A581	D397-M579 PolarHBondContact O-N 2.83Å; M579-A581 PolarHBondContact O-N 3Å
580	Y	60.1	Low	75.4	Confident	197 Å²	197	104.9 Å²	104.9	77%	0.773	58%	0.577	S	S	*	*			trans	-69.3	115	160.1	-67	-78.5	0	0	0	106	T578 D582	T578-Y580 PolarHBondContact O-N 3.48Å; Y580-D582 PolarHBondContact O-N 3.25Å
581	A	50.2	Low	73.9	Confident	95 Å²	95	107.6 Å²	107.6	79%	0.785	59%	0.588	S	S	*	*			trans	-60.3	111.2	162	0	0	0	0	0	105.7	M579 S583	M579-A581 PolarHBondContact O-N 3Å; A581-S583 PolarHBondContact O-N 2.87Å; A581-S583 VanDerWaalsContact O-N 3.08Å
582	D	34.9	Very low	72.3	Confident	153 Å²	153	109.8 Å²	109.8	82%	0.818	60%	0.601	S	S	*	*			trans	-50.3	120.9	161.7	-76.2	-38.1	0	0	0	106.1	Y580 E584	Y580-D582 PolarHBondContact O-N 3.25Å; D582-E584 PolarHBondContact O-N 3.45Å
583	S	31.7	Very low	70.3	Confident	122 Å²	122	113.8 Å²	113.8	85%	0.853	62%	0.624	S	S	*	*			trans	-55.2	110.3	-178.8	51.2	0	0	0	0	110.1	A581	A581-S583 PolarHBondContact O-N 2.87Å; A581-S583 VanDerWaalsContact O-N 3.08Å
584	E	31.8	Very low	67.9	Low	267 Å²	267	122.5 Å²	122.5	100%	1.248	67%	0.673	S	S	*	*			trans	-95.8	0	158.7	-76.3	-165.6	158.7	0	0	110.9	D582	D582-E584 PolarHBondContact O-N 3.45Å

Retrieved 584 of 584 residues in 628.2 ms (Link to these results)

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