A0A087XC74_POEFO Loading...

Dynein axonemal intermediate chain 7

AlphaFold DB , UniProt , Accession A0A087XC74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 705 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	P	39.9	Very low	40.3	Very low	186 Å²	186	190 Å²	190	100%	1.208	91%	0.911	S	S	*	*				0	139.6	0	-7.9	27.5	0	0	0	111.1
2	K	36.5	Very low	40.7	Very low	218 Å²	218	193.8 Å²	193.8	95%	0.948	91%	0.909	S	S	*	*			trans	-69.4	146.9	-156.9	-72.9	170.9	174.2	173	0	116
3	K	40.4	Very low	41.4	Very low	202 Å²	202	185.1 Å²	185.1	88%	0.878	87%	0.87	S	S	*	*			trans	-52.2	150.8	173.4	-67.8	172.2	172.8	174.1	0	115
4	K	39.8	Very low	42.6	Very low	214 Å²	214	176.6 Å²	176.6	93%	0.93	84%	0.841	S	S	*	*			trans	-124.7	129.9	144.3	-91.2	-175.6	176.9	176.6	0	110.1
5	K	42.2	Very low	43.8	Very low	182 Å²	182	177.3 Å²	177.3	79%	0.791	84%	0.839	S	S	*	*			trans	-78.7	149.5	174.8	-73.7	175.6	171.7	178.2	0	110.7
6	K	40.1	Very low	45.1	Very low	210 Å²	210	170.7 Å²	170.7	91%	0.913	82%	0.823	S	S	*	*			trans	-127.1	130.6	148.6	-94.4	-174.8	176.4	179.3	0	109.4
7	H	38	Very low	45.8	Very low	176 Å²	176	167.1 Å²	167.1	82%	0.815	81%	0.805	S	S	*	*			trans	-86.3	136.8	173.2	-96	-66.1	0	0	0	110.1
8	T	38.1	Very low	46.8	Very low	138 Å²	138	166.2 Å²	166.2	85%	0.847	79%	0.792	S	S	*	*			trans	-114.8	125.2	161	11.9	0	0	0	0	108.9
9	K	39.4	Very low	47.9	Very low	217 Å²	217	162.7 Å²	162.7	94%	0.943	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-68.9	121.7	176.9	-91.2	175	170.8	175.1	0	110
10	K	39	Very low	48.9	Very low	206 Å²	206	162.4 Å²	162.4	90%	0.896	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-84.7	128.8	164.8	-91.6	-179.6	173.3	177.8	0	109.8
11	V	49.5	Very low	49.6	Very low	141 Å²	141	159.7 Å²	159.7	86%	0.855	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-57.4	134.5	168.4	174.7	0	0	0	0	109.5	M13	V11-M13 PolarHBondContact O-N 3.11Å
12	R	45.7	Very low	50.9	Low	235 Å²	235	156.2 Å²	156.2	89%	0.887	73%	0.726	S	S	*	*			trans	-78.7	110.9	-178.5	-98.5	177.2	158.9	172.9	-6.3	109.8
13	M	50	Low	52.3	Low	81 Å²	81	151.7 Å²	151.7	40%	0.399	71%	0.708	S	S	.	*			trans	-66.3	147.1	164.9	-58.3	-167.4	-29.8	0	0	110.8	V11 E17 R18 K21	V11-M13 PolarHBondContact O-N 3.11Å; M13-E17 HydrophobicContact CB-CB 4.43Å; M13-R18 HydrophobicContact CE-CG 3.95Å; M13-K21 HydrophobicContact CE-CD 3.96Å
14	S	58.1	Low	53.4	Low	66 Å²	66	147.1 Å²	147.1	46%	0.462	69%	0.69	S	S	.	*			trans	-62.6	151.8	179.4	164.3	0	0	0	0	112.3	A16 E17 R18	S14-A16 PolarHBondContact O-N 3.02Å; S14-A16 PolarHBondContact OG-N 3.44Å; S14-E17 PolarHBondContact N-OE2 3.07Å; S14-E17 PolarHBondContact O-N 3.03Å; S14-E17 VanDerWaalsContact O-N 3.11Å; S14-R18 PolarHBondContact O-N 3.34Å; S14-R18 VanDerWaalsContact O-N 3.07Å
15	K	60.8	Low	54.7	Low	188 Å²	188	142.2 Å²	142.2	82%	0.817	67%	0.67	S	S	*	*	H	α-helix	trans	-59.9	-30.2	178.7	-147.7	-179.4	-175.9	-173.6	0	111.8	L19	K15-L19 PolarHBondContact O-N 3.45Å
16	A	63.6	Low	56	Low	71 Å²	71	139.6 Å²	139.6	59%	0.587	66%	0.661	S	S	*	*	H	α-helix	trans	-74.1	-37.7	174.9	0	0	0	0	0	112.9	S14 L19 K20	S14-A16 PolarHBondContact O-N 3.02Å; S14-A16 PolarHBondContact OG-N 3.44Å; A16-L19 PolarHBondContact O-N 3.24Å; A16-K20 WeakPolarHBondContact O-CB 3.43Å; A16-K20 PolarHBondContact O-N 3.39Å
17	E	58.1	Low	57.2	Low	109 Å²	109	131.2 Å²	131.2	51%	0.509	63%	0.634	S	S	.	*	H	α-helix	trans	-68.1	-35.9	175.1	-76	176.1	139.1	0	0	112.3	M13 S14 K21	M13-E17 HydrophobicContact CB-CB 4.43Å; S14-E17 PolarHBondContact N-OE2 3.07Å; S14-E17 PolarHBondContact O-N 3.03Å; S14-E17 VanDerWaalsContact O-N 3.11Å; E17-K21 VanDerWaalsContact O-CB 3.22Å; E17-K21 WeakPolarHBondContact O-CB 3.45Å; E17-K21 PolarHBondContact O-N 3.48Å
18	R	63.2	Low	58.6	Low	151 Å²	151	128.9 Å²	128.9	57%	0.57	62%	0.622	S	S	*	*	H	α-helix	trans	-65.3	-40.4	174.8	-78.4	-176.9	174.4	-171.2	-3.8	112.6	M13 S14 Q22	M13-R18 HydrophobicContact CE-CG 3.95Å; S14-R18 PolarHBondContact O-N 3.34Å; S14-R18 VanDerWaalsContact O-N 3.07Å; R18-Q22 WeakPolarHBondContact O-CB 3.26Å; R18-Q22 PolarHBondContact O-N 2.87Å
19	L	68.2	Low	60.2	Low	101 Å²	101	130 Å²	130	53%	0.529	62%	0.615	S	S	.	*	H	α-helix	trans	-68.8	-42.4	177.9	-148.6	98.1	0	0	0	111	K15 A16 K21 Q22 Q23	K15-L19 PolarHBondContact O-N 3.45Å; A16-L19 PolarHBondContact O-N 3.24Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 2.92Å; L19-Q22 PolarHBondContact O-N 3.44Å; L19-Q23 WeakPolarHBondContact O-CB 3.42Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.32Å
20	K	66.5	Low	61.8	Low	155 Å²	155	123.9 Å²	123.9	67%	0.674	60%	0.595	S	S	*	*	H	α-helix	trans	-63.1	-41.1	176.2	-148.5	178.2	-172.8	-174.7	0	111.5	A16 Q23 E24	A16-K20 WeakPolarHBondContact O-CB 3.43Å; A16-K20 PolarHBondContact O-N 3.39Å; K20-Q23 PolarHBondContact O-N 2.95Å; K20-E24 VanDerWaalsContact O-CB 3.26Å; K20-E24 WeakPolarHBondContact O-CB 3.22Å; K20-E24 PolarHBondContact O-N 2.89Å
21	K	63.7	Low	63	Low	106 Å²	106	120 Å²	120	46%	0.461	58%	0.582	S	S	.	*	H	α-helix	trans	-69.8	-34.6	176.8	-157.2	174	-171.9	176.1	0	113	M13 E17 L19 E25	M13-K21 HydrophobicContact CE-CD 3.96Å; E17-K21 VanDerWaalsContact O-CB 3.22Å; E17-K21 WeakPolarHBondContact O-CB 3.45Å; E17-K21 PolarHBondContact O-N 3.48Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 2.92Å; K21-E25 VanDerWaalsContact O-CB 3.3Å; K21-E25 WeakPolarHBondContact O-CB 3.35Å; K21-E25 WeakPolarHBondContact O-CG 3.34Å; K21-E25 PolarHBondContact O-N 3.45Å
22	Q	67.6	Low	64	Low	114 Å²	114	117.1 Å²	117.1	53%	0.533	57%	0.568	S	S	.	*	H	α-helix	trans	-67.9	-44	171.3	-86.7	-179.7	-35.2	0	0	112.2	R18 L19 E24 E25 E26	R18-Q22 WeakPolarHBondContact O-CB 3.26Å; R18-Q22 PolarHBondContact O-N 2.87Å; L19-Q22 PolarHBondContact O-N 3.44Å; Q22-E24 VanDerWaalsContact C-N 3.3Å; Q22-E24 PolarHBondContact O-N 2.75Å; Q22-E25 PolarHBondContact O-N 2.82Å; Q22-E26 WeakPolarHBondContact O-CB 3.3Å; Q22-E26 WeakPolarHBondContact O-CG 3.17Å; Q22-E26 PolarHBondContact O-N 2.8Å
23	Q	66.1	Low	65.4	Low	123 Å²	123	109.3 Å²	109.3	58%	0.575	55%	0.549	S	S	*	.	H	α-helix	trans	-65	-34.8	174.8	-75	179.1	-20.8	0	0	112.1	L19 K20 G27	L19-Q23 WeakPolarHBondContact O-CB 3.42Å; L19-Q23 WeakPolarHBondContact O-CG 3.49Å; L19-Q23 PolarHBondContact O-N 3.32Å; K20-Q23 PolarHBondContact O-N 2.95Å; Q23-G27 PolarHBondContact O-N 2.84Å
24	E	64.4	Low	66.6	Low	105 Å²	105	111 Å²	111	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-73.8	-35.4	175.2	-157.1	-169.8	153	0	0	112.1	K20 Q22 K28	K20-E24 VanDerWaalsContact O-CB 3.26Å; K20-E24 WeakPolarHBondContact O-CB 3.22Å; K20-E24 PolarHBondContact O-N 2.89Å; Q22-E24 VanDerWaalsContact C-N 3.3Å; Q22-E24 PolarHBondContact O-N 2.75Å; E24-K28 VanDerWaalsContact O-CB 3.23Å; E24-K28 WeakPolarHBondContact O-CB 3.38Å; E24-K28 WeakPolarHBondContact O-CG 3.3Å; E24-K28 PolarHBondContact O-N 2.87Å; E24-K28 WeakPolarHBondContact OE1-CE 3.42Å; E24-K28 IonicContact OE1-NZ 2.73Å; E24-K28 PolarHBondContact OE1-NZ 3.31Å
25	E	66.2	Low	67.5	Low	111 Å²	111	110.5 Å²	110.5	52%	0.519	56%	0.556	S	S	.	*	H	α-helix	trans	-70.9	-39.1	172.7	-82.4	176.8	-177.8	0	0	112.4	K21 Q22 K29	K21-E25 VanDerWaalsContact O-CB 3.3Å; K21-E25 WeakPolarHBondContact O-CB 3.35Å; K21-E25 WeakPolarHBondContact O-CG 3.34Å; K21-E25 PolarHBondContact O-N 3.45Å; Q22-E25 PolarHBondContact O-N 2.82Å; E25-K29 WeakPolarHBondContact O-CB 3.41Å; E25-K29 WeakPolarHBondContact O-CG 3.39Å; E25-K29 PolarHBondContact O-N 3.47Å
26	E	68.8	Low	68.5	Low	128 Å²	128	104.3 Å²	104.3	60%	0.598	54%	0.54	S	S	*	.	H	α-helix	trans	-68.3	-44.1	172.9	-77	178.1	169.6	0	0	110.9	Q22 K28 K29 V30	Q22-E26 WeakPolarHBondContact O-CB 3.3Å; Q22-E26 WeakPolarHBondContact O-CG 3.17Å; Q22-E26 PolarHBondContact O-N 2.8Å; E26-K28 PolarHBondContact O-N 2.86Å; E26-K29 PolarHBondContact O-N 3.2Å; E26-V30 VanDerWaalsContact O-CG2 3.3Å; E26-V30 WeakPolarHBondContact O-CG2 3.41Å; E26-V30 PolarHBondContact O-N 3.47Å
27	G	66.5	Low	69.5	Low	34 Å²	34	110 Å²	110	35%	0.351	55%	0.546	S	S	.	.	H	α-helix	trans	-58.6	-45.1	171.5	0	0	0	0	0	112.1	Q23 K29 V30 M31	Q23-G27 PolarHBondContact O-N 2.84Å; G27-K29 PolarHBondContact O-N 2.88Å; G27-V30 PolarHBondContact O-N 2.88Å; G27-M31 WeakPolarHBondContact O-CB 3.23Å; G27-M31 WeakPolarHBondContact O-CG 3.33Å; G27-M31 PolarHBondContact O-N 3.35Å
28	K	67.2	Low	70.6	Confident	127 Å²	127	109.9 Å²	109.9	55%	0.552	55%	0.549	S	S	*	.	H	α-helix	trans	-64.1	-37	174.4	-78.8	171.9	-173.9	167.4	0	112.8	E24 E26 S32	E24-K28 VanDerWaalsContact O-CB 3.23Å; E24-K28 WeakPolarHBondContact O-CB 3.38Å; E24-K28 WeakPolarHBondContact O-CG 3.3Å; E24-K28 PolarHBondContact O-N 2.87Å; E24-K28 WeakPolarHBondContact OE1-CE 3.42Å; E24-K28 IonicContact OE1-NZ 2.73Å; E24-K28 PolarHBondContact OE1-NZ 3.31Å; E26-K28 PolarHBondContact O-N 2.86Å; K28-S32 WeakPolarHBondContact O-CB 3.17Å; K28-S32 PolarHBondContact O-N 3.36Å
29	K	71.5	Confident	71.4	Confident	161 Å²	161	108.6 Å²	108.6	70%	0.7	55%	0.549	S	S	*	.	H	α-helix	trans	-67.9	-40.8	174.8	-85.7	-177.9	176	-177.9	0	112.5	E25 E26 G27 S32 S33	E25-K29 WeakPolarHBondContact O-CB 3.41Å; E25-K29 WeakPolarHBondContact O-CG 3.39Å; E25-K29 PolarHBondContact O-N 3.47Å; E26-K29 PolarHBondContact O-N 3.2Å; G27-K29 PolarHBondContact O-N 2.88Å; K29-S32 PolarHBondContact O-N 3.5Å; K29-S33 VanDerWaalsContact O-CB 3.26Å; K29-S33 WeakPolarHBondContact O-CB 3.4Å; K29-S33 PolarHBondContact O-N 3.08Å
30	V	72.4	Confident	72.3	Confident	88 Å²	88	106.2 Å²	106.2	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-66	-49	176.2	173.7	0	0	0	0	109.8	E26 G27 S32 S33 E34	E26-V30 VanDerWaalsContact O-CG2 3.3Å; E26-V30 WeakPolarHBondContact O-CG2 3.41Å; E26-V30 PolarHBondContact O-N 3.47Å; G27-V30 PolarHBondContact O-N 2.88Å; V30-S32 VanDerWaalsContact C-N 3.32Å; V30-S32 PolarHBondContact O-N 2.88Å; V30-S33 PolarHBondContact O-N 3.13Å; V30-S33 VanDerWaalsContact O-N 3.13Å; V30-E34 WeakPolarHBondContact O-CB 3.27Å; V30-E34 PolarHBondContact O-N 2.92Å
31	M	65.3	Low	73.2	Confident	126 Å²	126	104.1 Å²	104.1	62%	0.621	54%	0.537	S	S	*	.	H	α-helix	trans	-59.4	-40.3	175.6	-68.3	-62.6	-60.4	0	0	112.5	G27 A35	G27-M31 WeakPolarHBondContact O-CB 3.23Å; G27-M31 WeakPolarHBondContact O-CG 3.33Å; G27-M31 PolarHBondContact O-N 3.35Å; M31-A35 WeakPolarHBondContact O-CB 3.18Å; M31-A35 PolarHBondContact O-N 2.88Å
32	S	70.6	Confident	74.2	Confident	79 Å²	79	102.8 Å²	102.8	55%	0.552	53%	0.534	S	S	*	.	H	α-helix	trans	-69.1	-35.8	175.9	-178.7	0	0	0	0	112.6	K28 K29 V30 A36	K28-S32 WeakPolarHBondContact O-CB 3.17Å; K28-S32 PolarHBondContact O-N 3.36Å; K29-S32 PolarHBondContact O-N 3.5Å; V30-S32 VanDerWaalsContact C-N 3.32Å; V30-S32 PolarHBondContact O-N 2.88Å; S32-A36 VanDerWaalsContact O-CB 3.27Å; S32-A36 WeakPolarHBondContact O-CB 3.19Å; S32-A36 PolarHBondContact O-N 2.82Å
33	S	74.7	Confident	75	Confident	72 Å²	72	102.1 Å²	102.1	50%	0.503	53%	0.531	S	S	.	.	H	α-helix	trans	-73.2	-34.4	176.8	-174.7	0	0	0	0	112	K29 V30 R37	K29-S33 VanDerWaalsContact O-CB 3.26Å; K29-S33 WeakPolarHBondContact O-CB 3.4Å; K29-S33 PolarHBondContact O-N 3.08Å; V30-S33 PolarHBondContact O-N 3.13Å; V30-S33 VanDerWaalsContact O-N 3.13Å; S33-R37 WeakPolarHBondContact O-CG 3.26Å; S33-R37 PolarHBondContact O-N 2.89Å; S33-R37 VanDerWaalsContact O-N 3.08Å
34	E	74.3	Confident	76.1	Confident	115 Å²	115	102.1 Å²	102.1	54%	0.537	53%	0.531	S	S	.	.	H	α-helix	trans	-74.8	-41.8	177	-165.6	166.9	-165.2	0	0	110.8	V30 A36 R37 L38	V30-E34 WeakPolarHBondContact O-CB 3.27Å; V30-E34 PolarHBondContact O-N 2.92Å; E34-A36 VanDerWaalsContact C-N 3.33Å; E34-A36 PolarHBondContact O-N 3.39Å; E34-R37 PolarHBondContact O-N 3.22Å; E34-L38 PolarHBondContact O-N 2.99Å
35	A	77.9	Confident	77	Confident	56 Å²	56	102.5 Å²	102.5	46%	0.463	53%	0.533	S	S	.	.	H	α-helix	trans	-59.7	-41.3	169.8	0	0	0	0	0	112.2	M31 R37 L38 Q39	M31-A35 WeakPolarHBondContact O-CB 3.18Å; M31-A35 PolarHBondContact O-N 2.88Å; A35-R37 PolarHBondContact O-N 3.5Å; A35-L38 PolarHBondContact O-N 2.92Å; A35-Q39 WeakPolarHBondContact O-CB 3.36Å; A35-Q39 PolarHBondContact O-N 3.44Å
36	A	82.3	Confident	78	Confident	59 Å²	59	101.7 Å²	101.7	49%	0.488	53%	0.529	S	S	.	.	H	α-helix	trans	-66.3	-35.3	176.2	0	0	0	0	0	112.9	S32 E34 A40	S32-A36 VanDerWaalsContact O-CB 3.27Å; S32-A36 WeakPolarHBondContact O-CB 3.19Å; S32-A36 PolarHBondContact O-N 2.82Å; E34-A36 VanDerWaalsContact C-N 3.33Å; E34-A36 PolarHBondContact O-N 3.39Å; A36-A40 WeakPolarHBondContact O-CB 3.33Å; A36-A40 PolarHBondContact O-N 3.01Å
37	R	83.3	Confident	78.9	Confident	190 Å²	190	103.2 Å²	103.2	72%	0.717	53%	0.529	S	S	*	.	H	α-helix	trans	-67.9	-44.6	173.5	-78.8	-179.1	66.3	-170.5	-1.3	111.8	S33 E34 A35 Q39 A40 E41	S33-R37 WeakPolarHBondContact O-CG 3.26Å; S33-R37 PolarHBondContact O-N 2.89Å; S33-R37 VanDerWaalsContact O-N 3.08Å; E34-R37 PolarHBondContact O-N 3.22Å; A35-R37 PolarHBondContact O-N 3.5Å; R37-Q39 VanDerWaalsContact C-N 3.29Å; R37-Q39 PolarHBondContact O-N 3.29Å; R37-A40 PolarHBondContact O-N 3.46Å; R37-E41 WeakPolarHBondContact O-CB 3.32Å; R37-E41 PolarHBondContact O-N 3.46Å
38	L	81.6	Confident	79.9	Confident	107 Å²	107	105.5 Å²	105.5	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-62.9	-39.9	178.4	-152.9	109.8	0	0	0	110.9	E34 A35 E41 I42	E34-L38 PolarHBondContact O-N 2.99Å; A35-L38 PolarHBondContact O-N 2.92Å; L38-E41 PolarHBondContact O-N 2.98Å; L38-I42 HydrophobicContact CD2-CD1 4.07Å; L38-I42 VanDerWaalsContact O-CG1 3.26Å; L38-I42 WeakPolarHBondContact O-CG1 3.26Å; L38-I42 PolarHBondContact O-N 3.39Å
39	Q	81.4	Confident	80.8	Confident	123 Å²	123	103.7 Å²	103.7	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-68.5	-39.7	176.3	-168.9	145.6	-5.4	0	0	112.5	A35 R37 E41 I42 E43	A35-Q39 WeakPolarHBondContact O-CB 3.36Å; A35-Q39 PolarHBondContact O-N 3.44Å; R37-Q39 VanDerWaalsContact C-N 3.29Å; R37-Q39 PolarHBondContact O-N 3.29Å; Q39-E41 VanDerWaalsContact C-N 3.33Å; Q39-E41 PolarHBondContact O-N 2.9Å; Q39-I42 PolarHBondContact O-N 3.38Å; Q39-E43 WeakPolarHBondContact O-CB 3.45Å; Q39-E43 WeakPolarHBondContact O-CG 3.33Å; Q39-E43 PolarHBondContact O-N 3.49Å
40	A	85.3	Confident	81.5	Confident	52 Å²	52	102.4 Å²	102.4	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-36.8	173.6	0	0	0	0	0	112.6	A36 R37 E43 E44	A36-A40 WeakPolarHBondContact O-CB 3.33Å; A36-A40 PolarHBondContact O-N 3.01Å; R37-A40 PolarHBondContact O-N 3.46Å; A40-E43 PolarHBondContact O-N 2.93Å; A40-E44 WeakPolarHBondContact O-CB 3.44Å; A40-E44 PolarHBondContact O-N 2.9Å
41	E	85.8	Confident	82.3	Confident	111 Å²	111	103.1 Å²	103.1	52%	0.519	52%	0.515	S	S	.	.	H	α-helix	trans	-68.2	-40.6	176	-172.1	169.6	-173.1	0	0	111.7	R37 L38 Q39 E44 Q45	R37-E41 WeakPolarHBondContact O-CB 3.32Å; R37-E41 PolarHBondContact O-N 3.46Å; L38-E41 PolarHBondContact O-N 2.98Å; Q39-E41 VanDerWaalsContact C-N 3.33Å; Q39-E41 PolarHBondContact O-N 2.9Å; E41-E44 PolarHBondContact O-N 2.86Å; E41-Q45 WeakPolarHBondContact O-CB 3.46Å; E41-Q45 WeakPolarHBondContact O-CG 3.44Å; E41-Q45 PolarHBondContact O-N 3.03Å
42	I	84.1	Confident	83.4	Confident	77 Å²	77	105 Å²	105	40%	0.395	52%	0.515	S	S	.	.	H	α-helix	trans	-62.3	-47.4	171.9	-68	164	0	0	0	110.5	L38 Q39 E44 Q45 E46	L38-I42 HydrophobicContact CD2-CD1 4.07Å; L38-I42 VanDerWaalsContact O-CG1 3.26Å; L38-I42 WeakPolarHBondContact O-CG1 3.26Å; L38-I42 PolarHBondContact O-N 3.39Å; Q39-I42 PolarHBondContact O-N 3.38Å; I42-E44 VanDerWaalsContact C-N 3.32Å; I42-E44 PolarHBondContact O-N 3.25Å; I42-Q45 PolarHBondContact O-N 3.38Å; I42-E46 HydrophobicContact CG2-CG 4.4Å; I42-E46 WeakPolarHBondContact O-CB 3.36Å; I42-E46 WeakPolarHBondContact O-CG 3.47Å; I42-E46 PolarHBondContact O-N 2.93Å
43	E	86.1	Confident	84.1	Confident	101 Å²	101	105.1 Å²	105.1	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-35.8	178.3	-76.4	175.9	-166.7	0	0	112.9	Q39 A40 R47	Q39-E43 WeakPolarHBondContact O-CB 3.45Å; Q39-E43 WeakPolarHBondContact O-CG 3.33Å; Q39-E43 PolarHBondContact O-N 3.49Å; A40-E43 PolarHBondContact O-N 2.93Å; E43-R47 WeakPolarHBondContact O-CB 3.33Å; E43-R47 PolarHBondContact O-N 3.43Å
44	E	87.9	Confident	84.7	Confident	122 Å²	122	107.3 Å²	107.3	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-69.9	-43	175	-172.5	173.2	-171.3	0	0	111.3	A40 E41 I42 R47 L48	A40-E44 WeakPolarHBondContact O-CB 3.44Å; A40-E44 PolarHBondContact O-N 2.9Å; E41-E44 PolarHBondContact O-N 2.86Å; I42-E44 VanDerWaalsContact C-N 3.32Å; I42-E44 PolarHBondContact O-N 3.25Å; E44-R47 WeakPolarHBondContact O-CB 3.44Å; E44-R47 PolarHBondContact O-N 2.96Å; E44-L48 HydrophobicContact CG-CD1 4.41Å; E44-L48 WeakPolarHBondContact O-CG 3.38Å; E44-L48 PolarHBondContact O-N 3.25Å
45	Q	84.1	Confident	85.4	Confident	114 Å²	114	106.5 Å²	106.5	53%	0.533	51%	0.507	S	S	.	.	H	α-helix	trans	-61.8	-46.3	174.1	-76.3	-179	1.7	0	0	111.9	E41 I42 R47 L48 E49	E41-Q45 WeakPolarHBondContact O-CB 3.46Å; E41-Q45 WeakPolarHBondContact O-CG 3.44Å; E41-Q45 PolarHBondContact O-N 3.03Å; I42-Q45 PolarHBondContact O-N 3.38Å; Q45-R47 VanDerWaalsContact C-N 3.26Å; Q45-R47 PolarHBondContact O-N 2.87Å; Q45-L48 PolarHBondContact O-N 3.43Å; Q45-E49 WeakPolarHBondContact O-CB 3.36Å; Q45-E49 PolarHBondContact O-N 2.91Å
46	E	86.9	Confident	85.9	Confident	94 Å²	94	108 Å²	108	44%	0.439	51%	0.505	S	S	.	.	H	α-helix	trans	-61	-35.7	175.5	-75.4	179.5	-178	0	0	112	I42 R50	I42-E46 HydrophobicContact CG2-CG 4.4Å; I42-E46 WeakPolarHBondContact O-CB 3.36Å; I42-E46 WeakPolarHBondContact O-CG 3.47Å; I42-E46 PolarHBondContact O-N 2.93Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 WeakPolarHBondContact O-CG 3.36Å; E46-R50 PolarHBondContact O-N 2.91Å; E46-R50 PolarHBondContact O-NE 3.25Å
47	R	87.8	Confident	86.2	Confident	159 Å²	159	107 Å²	107	60%	0.6	49%	0.491	S	S	*	.	H	α-helix	trans	-66.4	-48.4	175.6	-172.2	-167.3	-56.9	-160.9	1.6	111.3	E43 E44 Q45 E49 R50 E51	E43-R47 WeakPolarHBondContact O-CB 3.33Å; E43-R47 PolarHBondContact O-N 3.43Å; E44-R47 WeakPolarHBondContact O-CB 3.44Å; E44-R47 PolarHBondContact O-N 2.96Å; Q45-R47 VanDerWaalsContact C-N 3.26Å; Q45-R47 PolarHBondContact O-N 2.87Å; R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 3.36Å; R47-R50 PolarHBondContact O-N 3.45Å; R47-E51 PolarHBondContact O-N 3.35Å
48	L	88.4	Confident	86.5	Confident	83 Å²	83	103.2 Å²	103.2	44%	0.435	48%	0.481	S	S	.	.	H	α-helix	trans	-64.7	-32.8	178.4	-72.4	169.9	0	0	0	112.1	E44 Q45 R52	E44-L48 HydrophobicContact CG-CD1 4.41Å; E44-L48 WeakPolarHBondContact O-CG 3.38Å; E44-L48 PolarHBondContact O-N 3.25Å; Q45-L48 PolarHBondContact O-N 3.43Å; L48-R52 WeakPolarHBondContact O-CB 3.26Å; L48-R52 WeakPolarHBondContact O-CG 3.48Å; L48-R52 PolarHBondContact O-N 3.35Å; L48-R52 VanDerWaalsContact O-N 3.11Å; L48-R52 PolarHBondContact O-NE 3.11Å
49	E	85.9	Confident	86.9	Confident	89 Å²	89	104.6 Å²	104.6	42%	0.416	48%	0.482	S	S	.	.	H	α-helix	trans	-69.6	-44.2	173.1	-164.9	-173.4	148.2	0	0	111.5	Q45 R47 E51 R52 K53	Q45-E49 WeakPolarHBondContact O-CB 3.36Å; Q45-E49 PolarHBondContact O-N 2.91Å; R47-E49 VanDerWaalsContact C-N 3.28Å; R47-E49 PolarHBondContact O-N 3.36Å; E49-E51 VanDerWaalsContact C-N 3.34Å; E49-E51 PolarHBondContact O-N 2.76Å; E49-R52 PolarHBondContact O-N 3.27Å; E49-K53 HydrophobicContact CG-CD 4.36Å; E49-K53 WeakPolarHBondContact O-CB 3.35Å; E49-K53 WeakPolarHBondContact O-CG 3.38Å; E49-K53 PolarHBondContact O-N 3.25Å; E49-K53 WeakPolarHBondContact OE1-CE 3.43Å; E49-K53 IonicContact OE1-NZ 2.9Å; E49-K53 PolarHBondContact OE1-NZ 2.95Å
50	R	85.5	Confident	87.4	Confident	134 Å²	134	100 Å²	100	51%	0.506	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-42.5	174.1	-81.9	-176.9	-90.5	112.4	-5.1	112.4	E46 R47 K53 L54	E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 WeakPolarHBondContact O-CG 3.36Å; E46-R50 PolarHBondContact O-N 2.91Å; E46-R50 PolarHBondContact O-NE 3.25Å; R47-R50 PolarHBondContact O-N 3.45Å; R50-K53 PolarHBondContact O-N 3.17Å; R50-L54 WeakPolarHBondContact O-CB 3.36Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.47Å; R50-L54 PolarHBondContact O-N 2.76Å
51	E	89.4	Confident	87.6	Confident	102 Å²	102	101 Å²	101	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-64.4	-45.9	177.7	-170.4	169.7	-160.5	0	0	111.5	R47 E49 K53 L54 E55	R47-E51 PolarHBondContact O-N 3.35Å; E49-E51 VanDerWaalsContact C-N 3.34Å; E49-E51 PolarHBondContact O-N 2.76Å; E51-K53 PolarHBondContact O-N 3.44Å; E51-L54 PolarHBondContact O-N 3.42Å; E51-E55 PolarHBondContact O-N 3.45Å
52	R	87.6	Confident	87.8	Confident	165 Å²	165	100.4 Å²	100.4	62%	0.623	46%	0.455	S	S	*	.	H	α-helix	trans	-59.7	-43.7	174.5	-78.1	-175.7	-76.1	170.2	-2.5	112.6	L48 E49 L54 E55 E56	L48-R52 WeakPolarHBondContact O-CB 3.26Å; L48-R52 WeakPolarHBondContact O-CG 3.48Å; L48-R52 PolarHBondContact O-N 3.35Å; L48-R52 VanDerWaalsContact O-N 3.11Å; L48-R52 PolarHBondContact O-NE 3.11Å; E49-R52 PolarHBondContact O-N 3.27Å; R52-L54 VanDerWaalsContact C-N 3.34Å; R52-L54 PolarHBondContact O-N 3.01Å; R52-E55 PolarHBondContact O-N 3.4Å; R52-E56 WeakPolarHBondContact O-CB 3.43Å; R52-E56 PolarHBondContact O-N 3.5Å
53	K	85.8	Confident	88.2	Confident	83 Å²	83	100.7 Å²	100.7	36%	0.361	45%	0.453	S	S	.	.	H	α-helix	trans	-61.5	-41.7	176	-77.8	175.8	167.3	170.2	0	111.7	E49 R50 E51 E56 I57	E49-K53 HydrophobicContact CG-CD 4.36Å; E49-K53 WeakPolarHBondContact O-CB 3.35Å; E49-K53 WeakPolarHBondContact O-CG 3.38Å; E49-K53 PolarHBondContact O-N 3.25Å; E49-K53 WeakPolarHBondContact OE1-CE 3.43Å; E49-K53 IonicContact OE1-NZ 2.9Å; E49-K53 PolarHBondContact OE1-NZ 2.95Å; R50-K53 PolarHBondContact O-N 3.17Å; E51-K53 PolarHBondContact O-N 3.44Å; K53-E56 PolarHBondContact O-N 3.21Å; K53-I57 WeakPolarHBondContact O-CB 3.42Å; K53-I57 WeakPolarHBondContact O-CD1 3.46Å; K53-I57 WeakPolarHBondContact O-CG1 3.23Å; K53-I57 PolarHBondContact O-N 3.15Å
54	L	87.4	Confident	88.3	Confident	117 Å²	117	96.3 Å²	96.3	61%	0.613	43%	0.434	S	S	*	.	H	α-helix	trans	-65.3	-44	177.1	-74.1	168.5	0	0	0	112.3	R50 E51 R52 E56 I57 Q58	R50-L54 WeakPolarHBondContact O-CB 3.36Å; R50-L54 VanDerWaalsContact O-CG 3.26Å; R50-L54 WeakPolarHBondContact O-CG 3.47Å; R50-L54 PolarHBondContact O-N 2.76Å; E51-L54 PolarHBondContact O-N 3.42Å; R52-L54 VanDerWaalsContact C-N 3.34Å; R52-L54 PolarHBondContact O-N 3.01Å; L54-E56 VanDerWaalsContact C-N 3.31Å; L54-E56 PolarHBondContact O-N 2.95Å; L54-I57 PolarHBondContact O-N 3.42Å; L54-Q58 WeakPolarHBondContact O-CB 3.47Å; L54-Q58 PolarHBondContact O-N 3.3Å
55	E	89.1	Confident	88.4	Confident	99 Å²	99	96.4 Å²	96.4	46%	0.463	44%	0.435	S	S	.	.	H	α-helix	trans	-62.7	-38.3	176.1	-72.7	-176	178.2	0	0	112.4	E51 R52 K59	E51-E55 PolarHBondContact O-N 3.45Å; R52-E55 PolarHBondContact O-N 3.4Å; E55-K59 WeakPolarHBondContact O-CG 3.21Å; E55-K59 PolarHBondContact O-N 2.96Å; E55-K59 VanDerWaalsContact O-N 3.12Å
56	E	88.6	Confident	88.8	Confident	88 Å²	88	98.1 Å²	98.1	41%	0.411	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-49	175.4	-173.1	-177.6	162.5	0	0	111.3	R52 K53 L54 Q58 K59 L60 H655	R52-E56 WeakPolarHBondContact O-CB 3.43Å; R52-E56 PolarHBondContact O-N 3.5Å; K53-E56 PolarHBondContact O-N 3.21Å; L54-E56 VanDerWaalsContact C-N 3.31Å; L54-E56 PolarHBondContact O-N 2.95Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 3.23Å; E56-K59 PolarHBondContact O-N 2.94Å; E56-L60 HydrophobicContact CG-CD1 4.47Å; E56-L60 WeakPolarHBondContact O-CG 3.45Å; E56-L60 PolarHBondContact O-N 3.43Å; E56-H655 IonicContact OE1-CD2 2.91Å; E56-H655 IonicContact OE1-CE1 2.76Å; E56-H655 IonicContact OE1-NE2 2.75Å; E56-H655 PolarHBondContact OE1-NE2 3.19Å
57	I	88.1	Confident	89.1	Confident	38 Å²	38	96.3 Å²	96.3	20%	0.195	44%	0.436	C	S	.	.	H	α-helix	trans	-56.7	-44.8	175.7	-72.1	166.7	0	0	0	110.5	K53 L54 K59 L60 E61 F661	K53-I57 WeakPolarHBondContact O-CB 3.42Å; K53-I57 WeakPolarHBondContact O-CD1 3.46Å; K53-I57 WeakPolarHBondContact O-CG1 3.23Å; K53-I57 PolarHBondContact O-N 3.15Å; L54-I57 PolarHBondContact O-N 3.42Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.42Å; I57-L60 PolarHBondContact O-N 3.15Å; I57-E61 HydrophobicContact CG2-CG 4.3Å; I57-E61 WeakPolarHBondContact O-CB 3.41Å; I57-E61 VanDerWaalsContact O-CG 3.29Å; I57-E61 WeakPolarHBondContact O-CG 3.16Å; I57-E61 PolarHBondContact O-N 2.68Å; I57-F661 HydrophobicContact CG2-CE2 4.19Å
58	Q	89.6	Confident	89.3	Confident	109 Å²	109	91.5 Å²	91.5	51%	0.509	42%	0.418	S	S	.	.	H	α-helix	trans	-62.8	-40	179.9	-171.5	179.9	-11.9	0	0	112	L54 E56 E61 E62	L54-Q58 WeakPolarHBondContact O-CB 3.47Å; L54-Q58 PolarHBondContact O-N 3.3Å; E56-Q58 VanDerWaalsContact C-N 3.29Å; E56-Q58 PolarHBondContact O-N 3.23Å; Q58-E61 WeakPolarHBondContact O-CB 3.33Å; Q58-E61 PolarHBondContact O-N 3.18Å; Q58-E62 PolarHBondContact NE2-OE1 2.93Å; Q58-E62 WeakPolarHBondContact O-CG 3.44Å; Q58-E62 PolarHBondContact O-N 2.98Å
59	K	91.4	Very high	89.5	Confident	136 Å²	136	93.5 Å²	93.5	59%	0.591	43%	0.429	S	S	*	.	H	α-helix	trans	-64.4	-41.5	175.2	-73.6	168.7	-175.2	163.5	0	112	E55 E56 I57 E61 E62 K63	E55-K59 WeakPolarHBondContact O-CG 3.21Å; E55-K59 PolarHBondContact O-N 2.96Å; E55-K59 VanDerWaalsContact O-N 3.12Å; E56-K59 PolarHBondContact O-N 2.94Å; I57-K59 VanDerWaalsContact C-N 3.34Å; I57-K59 PolarHBondContact O-N 3.42Å; K59-E61 VanDerWaalsContact C-N 3.32Å; K59-E62 PolarHBondContact O-N 2.66Å; K59-K63 WeakPolarHBondContact O-CB 3.44Å; K59-K63 PolarHBondContact O-N 3.3Å; K59-K63 VanDerWaalsContact O-N 3.07Å
60	L	90.8	Very high	90	Very high	26 Å²	26	95.9 Å²	95.9	14%	0.136	44%	0.438	C	S	.	.	H	α-helix	trans	-65.1	-38.4	175.7	-67.2	175.3	0	0	0	111.2	E56 I57 K63 A64 F661	E56-L60 HydrophobicContact CG-CD1 4.47Å; E56-L60 WeakPolarHBondContact O-CG 3.45Å; E56-L60 PolarHBondContact O-N 3.43Å; I57-L60 PolarHBondContact O-N 3.15Å; L60-K63 PolarHBondContact O-N 2.98Å; L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.08Å; L60-F661 HydrophobicContact CB-CD1 4.32Å; L60-F661 HydrophobicContact CB-CD2 3.79Å; L60-F661 HydrophobicContact CB-CE1 4.42Å; L60-F661 HydrophobicContact CB-CE2 3.94Å; L60-F661 HydrophobicContact CB-CG 3.99Å; L60-F661 HydrophobicContact CB-CZ 4.24Å; L60-F661 HydrophobicContact CD1-CD1 4.3Å; L60-F661 HydrophobicContact CD1-CE1 3.89Å; L60-F661 HydrophobicContact CD1-CZ 4.04Å
61	E	88.9	Confident	90.4	Very high	73 Å²	73	89.9 Å²	89.9	34%	0.341	42%	0.416	S	S	.	.	H	α-helix	trans	-63.1	-47.9	174.6	-75.8	178.5	171.9	0	0	112.4	I57 Q58 K59 K63 A64 E65 R638 F661	I57-E61 HydrophobicContact CG2-CG 4.3Å; I57-E61 WeakPolarHBondContact O-CB 3.41Å; I57-E61 VanDerWaalsContact O-CG 3.29Å; I57-E61 WeakPolarHBondContact O-CG 3.16Å; I57-E61 PolarHBondContact O-N 2.68Å; Q58-E61 WeakPolarHBondContact O-CB 3.33Å; Q58-E61 PolarHBondContact O-N 3.18Å; K59-E61 VanDerWaalsContact C-N 3.32Å; E61-K63 VanDerWaalsContact C-N 3.28Å; E61-K63 PolarHBondContact O-N 3.48Å; E61-A64 PolarHBondContact O-N 3.18Å; E61-E65 WeakPolarHBondContact O-CB 3.38Å; E61-E65 PolarHBondContact O-N 3.49Å; E61-R638 VanDerWaalsContact CD-NH1 3.31Å; E61-R638 VanDerWaalsContact CG-NH1 3.27Å; E61-R638 IonicContact OE1-CZ 3.99Å; E61-R638 IonicContact OE1-NH1 2.72Å; E61-R638 PolarHBondContact OE1-NH1 3.48Å; E61-R638 IonicContact OE1-NH2 2.6Å; E61-R638 PolarHBondContact OE1-NH2 3.44Å; E61-F661 HydrophobicContact CG-CD2 4.08Å; E61-F661 HydrophobicContact CG-CE2 4.1Å
62	E	91.4	Very high	90.7	Very high	100 Å²	100	86.3 Å²	86.3	47%	0.467	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-38.1	177.6	-73.9	173.6	-168.6	0	0	111.8	Q58 K59 Q66	Q58-E62 PolarHBondContact NE2-OE1 2.93Å; Q58-E62 WeakPolarHBondContact O-CG 3.44Å; Q58-E62 PolarHBondContact O-N 2.98Å; K59-E62 PolarHBondContact O-N 2.66Å; E62-Q66 VanDerWaalsContact O-CG 3.26Å; E62-Q66 WeakPolarHBondContact O-CG 3.39Å; E62-Q66 PolarHBondContact O-N 2.84Å; E62-Q66 VanDerWaalsContact O-N 3.17Å
63	K	90.9	Very high	91.1	Very high	82 Å²	82	82.6 Å²	82.6	36%	0.357	40%	0.396	S	S	.	.	H	α-helix	trans	-67.9	-44.6	176	-168.3	-178.3	-175.7	-171.2	0	112	K59 L60 E61 E65 Q66 N67 E660	K59-K63 WeakPolarHBondContact O-CB 3.44Å; K59-K63 PolarHBondContact O-N 3.3Å; K59-K63 VanDerWaalsContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 2.98Å; E61-K63 VanDerWaalsContact C-N 3.28Å; E61-K63 PolarHBondContact O-N 3.48Å; K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 PolarHBondContact O-N 2.89Å; K63-Q66 PolarHBondContact O-N 3.22Å; K63-N67 PolarHBondContact O-N 3.02Å; K63-N67 VanDerWaalsContact O-N 3.15Å; K63-E660 VanDerWaalsContact CE-OE2 3.3Å; K63-E660 WeakPolarHBondContact CE-OE2 3.41Å; K63-E660 IonicContact NZ-OE1 3.5Å; K63-E660 PolarHBondContact NZ-OE1 3.44Å; K63-E660 IonicContact NZ-OE2 3.74Å; K63-E660 PolarHBondContact NZ-OE2 2.91Å
64	A	90.1	Very high	91.5	Very high	9 Å²	9	81.2 Å²	81.2	7%	0.074	39%	0.391	C	S	.	.	H	α-helix	trans	-60.6	-41.4	177.2	0	0	0	0	0	111.8	L60 E61 Q66 N67 R68 F661	L60-A64 WeakPolarHBondContact O-CB 3.36Å; L60-A64 PolarHBondContact O-N 3.08Å; E61-A64 PolarHBondContact O-N 3.18Å; A64-Q66 VanDerWaalsContact C-N 3.34Å; A64-Q66 PolarHBondContact O-N 2.69Å; A64-N67 PolarHBondContact O-N 3.28Å; A64-R68 WeakPolarHBondContact O-CB 3.29Å; A64-R68 PolarHBondContact O-N 3.37Å; A64-F661 HydrophobicContact CB-CB 3.78Å; A64-F661 WeakPolarHBondContact CB-O 3.28Å
65	E	89.7	Confident	91.9	Very high	124 Å²	124	75.8 Å²	75.8	58%	0.579	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-37.1	178.1	-167.4	63.2	-160.3	0	0	111.8	E61 K63 N67 R68	E61-E65 WeakPolarHBondContact O-CB 3.38Å; E61-E65 PolarHBondContact O-N 3.49Å; K63-E65 VanDerWaalsContact C-N 3.3Å; K63-E65 PolarHBondContact O-N 2.89Å; E65-N67 VanDerWaalsContact C-N 3.32Å; E65-N67 PolarHBondContact O-N 3.42Å; E65-R68 WeakPolarHBondContact O-CB 3.47Å; E65-R68 PolarHBondContact O-N 3.02Å
66	Q	91.9	Very high	92.2	Very high	151 Å²	151	74 Å²	74	71%	0.706	35%	0.351	S	S	*	.	H	α-helix	trans	-64.7	-36	174.7	-72.2	167.2	27	0	0	112.8	E62 K63 A64	E62-Q66 VanDerWaalsContact O-CG 3.26Å; E62-Q66 WeakPolarHBondContact O-CG 3.39Å; E62-Q66 PolarHBondContact O-N 2.84Å; E62-Q66 VanDerWaalsContact O-N 3.17Å; K63-Q66 PolarHBondContact O-N 3.22Å; A64-Q66 VanDerWaalsContact C-N 3.34Å; A64-Q66 PolarHBondContact O-N 2.69Å
67	N	92	Very high	92.6	Very high	56 Å²	56	74.6 Å²	74.6	30%	0.299	35%	0.354	S	S	.	.	H	α-helix	trans	-87.4	-12.7	-179.1	-67.6	-16.2	0	0	0	113.2	K63 A64 E65 D69 F70 E71	K63-N67 PolarHBondContact O-N 3.02Å; K63-N67 VanDerWaalsContact O-N 3.15Å; A64-N67 PolarHBondContact O-N 3.28Å; E65-N67 VanDerWaalsContact C-N 3.32Å; E65-N67 PolarHBondContact O-N 3.42Å; N67-D69 PolarHBondContact O-N 3.12Å; N67-F70 WeakPolarHBondContact O-CB 3.27Å; N67-F70 PolarHBondContact O-N 3.37Å; N67-F70 VanDerWaalsContact O-N 3.12Å; N67-E71 HydrophobicContact CB-CG 4.35Å; N67-E71 WeakPolarHBondContact O-CG 3.18Å; N67-E71 PolarHBondContact O-N 3.1Å
68	R	92.4	Very high	93	Very high	57 Å²	57	75 Å²	75	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-52	-53.4	-170.2	175	170.2	-174	76.1	3.6	113.7	A64 E65 F70 E71 L72 Q637 S663	A64-R68 WeakPolarHBondContact O-CB 3.29Å; A64-R68 PolarHBondContact O-N 3.37Å; E65-R68 WeakPolarHBondContact O-CB 3.47Å; E65-R68 PolarHBondContact O-N 3.02Å; R68-F70 VanDerWaalsContact C-N 3.28Å; R68-F70 PolarHBondContact O-N 3.18Å; R68-E71 PolarHBondContact O-N 3.04Å; R68-L72 HydrophobicContact CG-CD1 3.75Å; R68-L72 HydrophobicContact CG-CG 4.49Å; R68-L72 WeakPolarHBondContact O-CB 3.45Å; R68-L72 VanDerWaalsContact O-CG 3.29Å; R68-L72 WeakPolarHBondContact O-CG 3.43Å; R68-L72 PolarHBondContact O-N 2.6Å; R68-Q637 PolarHBondContact NH1-O 3.37Å; R68-S663 VanDerWaalsContact CA-OG 3.31Å; R68-S663 WeakPolarHBondContact CA-OG 3.48Å; R68-S663 WeakPolarHBondContact CB-OG 3.32Å; R68-S663 WeakPolarHBondContact CG-OG 3.48Å; R68-S663 PolarHBondContact NH1-OG 3.21Å
69	D	93	Very high	93.2	Very high	125 Å²	125	71.9 Å²	71.9	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-63.8	-39.1	-176.7	-74.5	-13.3	0	0	0	111.1	N67 T73	N67-D69 PolarHBondContact O-N 3.12Å; D69-T73 WeakPolarHBondContact O-CB 3.35Å; D69-T73 PolarHBondContact O-N 3.15Å; D69-T73 PolarHBondContact O-OG1 3.25Å
70	F	95.8	Very high	93.4	Very high	139 Å²	139	69.3 Å²	69.3	61%	0.61	33%	0.333	S	S	*	.	H	α-helix	trans	-64.5	-53.2	178.1	176.8	-93.6	0	0	0	111.8	N67 R68 L72 T73 E74	N67-F70 WeakPolarHBondContact O-CB 3.27Å; N67-F70 PolarHBondContact O-N 3.37Å; N67-F70 VanDerWaalsContact O-N 3.12Å; R68-F70 VanDerWaalsContact C-N 3.28Å; R68-F70 PolarHBondContact O-N 3.18Å; F70-L72 PolarHBondContact O-N 3.04Å; F70-T73 PolarHBondContact O-N 3.34Å; F70-T73 VanDerWaalsContact O-N 3.13Å; F70-E74 PolarHBondContact O-N 3.22Å
71	E	95.3	Very high	93.6	Very high	8 Å²	8	72.9 Å²	72.9	4%	0.037	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-41.7	-178.6	-71.4	-176.9	-178.5	0	0	112.3	N67 R68 T73 L75 H662 S663 T664 H667	N67-E71 HydrophobicContact CB-CG 4.35Å; N67-E71 WeakPolarHBondContact O-CG 3.18Å; N67-E71 PolarHBondContact O-N 3.1Å; R68-E71 PolarHBondContact O-N 3.04Å; E71-T73 VanDerWaalsContact C-N 3.32Å; E71-L75 WeakPolarHBondContact O-CB 3.48Å; E71-L75 PolarHBondContact O-N 3.1Å; E71-H662 IonicContact OE1-CE1 3.47Å; E71-H662 IonicContact OE1-CG 3.52Å; E71-H662 IonicContact OE1-ND1 3.84Å; E71-H662 PolarHBondContact OE1-ND1 3.03Å; E71-H662 IonicContact OE2-ND1 2.66Å; E71-S663 WeakPolarHBondContact OE2-CB 3.37Å; E71-S663 PolarHBondContact OE2-N 2.54Å; E71-T664 HydrophobicContact CB-CG2 4.5Å; E71-H667 VanDerWaalsContact CB-CE1 3.48Å; E71-H667 WeakPolarHBondContact CB-CE1 3.37Å; E71-H667 HydrophobicContact CG-CB 4.44Å; E71-H667 PolarHBondContact O-CE1 3.48Å; E71-H667 VanDerWaalsContact O-CE1 3.26Å; E71-H667 IonicContact OE2-ND1 3.3Å
72	L	94.4	Very high	93.9	Very high	28 Å²	28	70.9 Å²	70.9	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-68	-34.2	176.3	-70.4	174.7	0	0	0	112.1	R68 F70 R76 F583 T664	R68-L72 HydrophobicContact CG-CD1 3.75Å; R68-L72 HydrophobicContact CG-CG 4.49Å; R68-L72 WeakPolarHBondContact O-CB 3.45Å; R68-L72 VanDerWaalsContact O-CG 3.29Å; R68-L72 WeakPolarHBondContact O-CG 3.43Å; R68-L72 PolarHBondContact O-N 2.6Å; F70-L72 PolarHBondContact O-N 3.04Å; L72-R76 VanDerWaalsContact O-CB 3.26Å; L72-R76 WeakPolarHBondContact O-CB 3.37Å; L72-R76 PolarHBondContact O-N 3.29Å; L72-F583 HydrophobicContact CD2-CZ 4.44Å; L72-T664 HydrophobicContact CD2-CG2 3.85Å
73	T	96.5	Very high	94	Very high	87 Å²	87	73.1 Å²	73.1	53%	0.534	35%	0.346	S	S	.	.	H	α-helix	trans	-69.9	-43	177.3	-60.2	0	0	0	0	110.9	D69 F70 E71 R76 H77	D69-T73 WeakPolarHBondContact O-CB 3.35Å; D69-T73 PolarHBondContact O-N 3.15Å; D69-T73 PolarHBondContact O-OG1 3.25Å; F70-T73 PolarHBondContact O-N 3.34Å; F70-T73 VanDerWaalsContact O-N 3.13Å; E71-T73 VanDerWaalsContact C-N 3.32Å; T73-R76 PolarHBondContact O-N 3.34Å; T73-H77 WeakPolarHBondContact O-CB 3.43Å; T73-H77 PolarHBondContact O-N 2.95Å
74	E	95.4	Very high	94.2	Very high	54 Å²	54	71.7 Å²	71.7	25%	0.252	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-50.4	175.1	-179.2	171.6	-173.2	0	0	111.1	F70 R76 H77 L78 H667	F70-E74 PolarHBondContact O-N 3.22Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 2.82Å; E74-H77 PolarHBondContact O-N 3.28Å; E74-L78 HydrophobicContact CG-CD1 4.35Å; E74-L78 WeakPolarHBondContact O-CG 3.39Å; E74-L78 PolarHBondContact O-N 2.86Å; E74-H667 IonicContact OE2-NE2 3.06Å; E74-H667 PolarHBondContact OE2-NE2 2.72Å
75	L	95.3	Very high	94.5	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-60.3	-44.1	178.4	176.5	60.4	0	0	0	111.8	E71 H77 L78 L79 F583 Q587 L590 T664 I666	E71-L75 WeakPolarHBondContact O-CB 3.48Å; E71-L75 PolarHBondContact O-N 3.1Å; L75-H77 VanDerWaalsContact C-N 3.33Å; L75-H77 PolarHBondContact O-N 3.46Å; L75-L78 PolarHBondContact O-N 2.84Å; L75-L79 HydrophobicContact CD1-CD1 3.98Å; L75-L79 HydrophobicContact CD1-CG 4.02Å; L75-L79 HydrophobicContact CG-CD1 3.95Å; L75-L79 HydrophobicContact CG-CG 4.4Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.35Å; L75-F583 HydrophobicContact CD2-CD2 4.46Å; L75-F583 HydrophobicContact CD2-CE1 4.3Å; L75-F583 HydrophobicContact CD2-CE2 3.39Å; L75-F583 HydrophobicContact CD2-CZ 3.29Å; L75-F583 HydrophobicContact CG-CE2 4.49Å; L75-Q587 HydrophobicContact CD1-CG 3.95Å; L75-Q587 HydrophobicContact CD2-CG 3.91Å; L75-L590 HydrophobicContact CD1-CD1 3.62Å; L75-T664 HydrophobicContact CB-CG2 4.36Å; L75-T664 HydrophobicContact CD2-CG2 3.71Å; L75-I666 HydrophobicContact CB-CD1 4.33Å; L75-I666 HydrophobicContact CD1-CD1 3.81Å; L75-I666 HydrophobicContact CD1-CG1 4.4Å
76	R	95.6	Very high	94.7	Very high	62 Å²	62	66.3 Å²	66.3	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-57.7	-47.4	177.4	-176.3	-162.7	-57	-94.1	3.8	111.2	L72 T73 E74 L78 L79 E80 C327 L331	L72-R76 VanDerWaalsContact O-CB 3.26Å; L72-R76 WeakPolarHBondContact O-CB 3.37Å; L72-R76 PolarHBondContact O-N 3.29Å; T73-R76 PolarHBondContact O-N 3.34Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 2.82Å; R76-L78 VanDerWaalsContact C-N 3.35Å; R76-L78 PolarHBondContact O-N 3.38Å; R76-L79 PolarHBondContact O-N 3.31Å; R76-E80 VanDerWaalsContact CD-OE1 3.28Å; R76-E80 WeakPolarHBondContact CD-OE1 3.05Å; R76-E80 HydrophobicContact CG-CG 4.25Å; R76-E80 VanDerWaalsContact CG-OE1 3.25Å; R76-E80 WeakPolarHBondContact CG-OE1 3.48Å; R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 3.39Å; R76-E80 PolarHBondContact O-N 3.49Å; R76-C327 PolarHBondContact NH1-O 3Å; R76-L331 HydrophobicContact CB-CD1 4.23Å; R76-L331 HydrophobicContact CG-CD1 4.09Å; R76-L331 VanDerWaalsContact NH1-CD1 3.28Å
77	H	96.1	Very high	94.8	Very high	101 Å²	101	62.7 Å²	62.7	47%	0.468	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-46.4	178.8	-173.7	-85.8	0	0	0	111.5	T73 E74 L75 L79 E80 E81	T73-H77 WeakPolarHBondContact O-CB 3.43Å; T73-H77 PolarHBondContact O-N 2.95Å; E74-H77 PolarHBondContact O-N 3.28Å; L75-H77 VanDerWaalsContact C-N 3.33Å; L75-H77 PolarHBondContact O-N 3.46Å; H77-L79 VanDerWaalsContact C-N 3.31Å; H77-L79 PolarHBondContact O-N 2.92Å; H77-E80 PolarHBondContact O-N 2.92Å; H77-E81 IonicContact CE1-OE1 3.49Å; H77-E81 PolarHBondContact CE1-OE1 2.94Å; H77-E81 IonicContact CE1-OE2 2.57Å; H77-E81 PolarHBondContact CE1-OE2 2.66Å; H77-E81 VanDerWaalsContact ND1-CD 3.35Å; H77-E81 IonicContact ND1-OE1 3.12Å; H77-E81 IonicContact ND1-OE2 2.65Å; H77-E81 PolarHBondContact ND1-OE2 3.47Å; H77-E81 IonicContact NE2-OE1 3.95Å; H77-E81 WeakPolarHBondContact O-CB 3.44Å; H77-E81 WeakPolarHBondContact O-CG 3.39Å; H77-E81 PolarHBondContact O-N 3.43Å
78	L	95.7	Very high	95	Very high	46 Å²	46	67.7 Å²	67.7	24%	0.241	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-40.2	177.5	-67.6	174.1	0	0	0	112.4	E74 L75 R76 N82 L590 I666	E74-L78 HydrophobicContact CG-CD1 4.35Å; E74-L78 WeakPolarHBondContact O-CG 3.39Å; E74-L78 PolarHBondContact O-N 2.86Å; L75-L78 PolarHBondContact O-N 2.84Å; R76-L78 VanDerWaalsContact C-N 3.35Å; R76-L78 PolarHBondContact O-N 3.38Å; L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.07Å; L78-N82 PolarHBondContact O-ND2 3.41Å; L78-L590 HydrophobicContact CB-CD1 4.39Å; L78-I666 HydrophobicContact CD1-CD1 4.21Å
79	L	95.2	Very high	95.1	Very high	43 Å²	43	69.1 Å²	69.1	23%	0.225	33%	0.326	C	S	.	.	H	α-helix	trans	-70.5	-43.8	178	-68.4	174.1	0	0	0	111.9	L75 R76 H77 N82 Y83 D586 L590	L75-L79 HydrophobicContact CD1-CD1 3.98Å; L75-L79 HydrophobicContact CD1-CG 4.02Å; L75-L79 HydrophobicContact CG-CD1 3.95Å; L75-L79 HydrophobicContact CG-CG 4.4Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.35Å; R76-L79 PolarHBondContact O-N 3.31Å; H77-L79 VanDerWaalsContact C-N 3.31Å; H77-L79 PolarHBondContact O-N 2.92Å; L79-N82 PolarHBondContact O-N 3.43Å; L79-Y83 WeakPolarHBondContact O-CB 3.47Å; L79-Y83 PolarHBondContact O-N 3.07Å; L79-D586 HydrophobicContact CD2-CB 3.88Å; L79-L590 HydrophobicContact CD2-CD1 3.7Å; L79-L590 HydrophobicContact CD2-CG 4.25Å; L79-L590 HydrophobicContact CG-CD1 4.24Å
80	E	95.4	Very high	95	Very high	82 Å²	82	67.7 Å²	67.7	38%	0.383	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-42.7	178	-75.5	176.2	-174.7	0	0	112.2	R76 H77 Y83 S84 C327	R76-E80 VanDerWaalsContact CD-OE1 3.28Å; R76-E80 WeakPolarHBondContact CD-OE1 3.05Å; R76-E80 HydrophobicContact CG-CG 4.25Å; R76-E80 VanDerWaalsContact CG-OE1 3.25Å; R76-E80 WeakPolarHBondContact CG-OE1 3.48Å; R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 3.39Å; R76-E80 PolarHBondContact O-N 3.49Å; H77-E80 PolarHBondContact O-N 2.92Å; E80-Y83 PolarHBondContact O-N 2.86Å; E80-S84 WeakPolarHBondContact O-CB 3.38Å; E80-S84 PolarHBondContact O-N 3.09Å; E80-S84 PolarHBondContact O-OG 3.1Å; E80-S84 VanDerWaalsContact O-OG 3.05Å; E80-C327 PolarHBondContact OE1-SG 3.34Å; E80-C327 VanDerWaalsContact OE1-SG 3.4Å
81	E	94.7	Very high	94.9	Very high	101 Å²	101	64.5 Å²	64.5	47%	0.472	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-48.1	175.2	-76	-173.6	137.3	0	0	111.8	H77 S84 A85	H77-E81 IonicContact CE1-OE1 3.49Å; H77-E81 PolarHBondContact CE1-OE1 2.94Å; H77-E81 IonicContact CE1-OE2 2.57Å; H77-E81 PolarHBondContact CE1-OE2 2.66Å; H77-E81 VanDerWaalsContact ND1-CD 3.35Å; H77-E81 IonicContact ND1-OE1 3.12Å; H77-E81 IonicContact ND1-OE2 2.65Å; H77-E81 PolarHBondContact ND1-OE2 3.47Å; H77-E81 IonicContact NE2-OE1 3.95Å; H77-E81 WeakPolarHBondContact O-CB 3.44Å; H77-E81 WeakPolarHBondContact O-CG 3.39Å; H77-E81 PolarHBondContact O-N 3.43Å; E81-S84 PolarHBondContact O-OG 3.18Å; E81-A85 WeakPolarHBondContact O-CB 3.29Å; E81-A85 PolarHBondContact O-N 3.36Å; E81-A85 VanDerWaalsContact O-N 3.08Å
82	N	94.5	Very high	94.8	Very high	32 Å²	32	68.9 Å²	68.9	17%	0.171	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-45.5	177.3	-83.9	-66	0	0	0	111.8	L78 L79 S84 A85 I86 L590 Y686	L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.07Å; L78-N82 PolarHBondContact O-ND2 3.41Å; L79-N82 PolarHBondContact O-N 3.43Å; N82-S84 PolarHBondContact O-N 2.99Å; N82-A85 PolarHBondContact O-N 2.91Å; N82-I86 WeakPolarHBondContact O-CB 3.33Å; N82-I86 WeakPolarHBondContact O-CG1 3.49Å; N82-I86 PolarHBondContact O-N 3.28Å; N82-L590 VanDerWaalsContact ND2-CD2 3.29Å; N82-L590 WeakPolarHBondContact ND2-CD2 3.38Å; N82-Y686 WeakPolarHBondContact OD1-CA 3.29Å; N82-Y686 VanDerWaalsContact OD1-CB 3.24Å; N82-Y686 WeakPolarHBondContact OD1-CB 3.25Å
83	Y	94.1	Very high	94.5	Very high	147 Å²	147	69.3 Å²	69.3	58%	0.576	34%	0.337	S	S	*	.	H	α-helix	trans	-62.2	-45.4	-179.1	-177	-107.7	0	0	0	111.9	L79 E80 A85 I86 I87	L79-Y83 WeakPolarHBondContact O-CB 3.47Å; L79-Y83 PolarHBondContact O-N 3.07Å; E80-Y83 PolarHBondContact O-N 2.86Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.12Å; Y83-I86 PolarHBondContact O-N 2.98Å; Y83-I87 HydrophobicContact CD1-CD1 3.63Å; Y83-I87 HydrophobicContact CE1-CD1 3.15Å; Y83-I87 HydrophobicContact CE1-CG1 4.2Å; Y83-I87 HydrophobicContact CE2-CD1 4.19Å; Y83-I87 HydrophobicContact CE2-CG1 4.46Å; Y83-I87 HydrophobicContact CG-CD1 4.33Å; Y83-I87 VanDerWaalsContact CZ-CD1 3.47Å; Y83-I87 WeakPolarHBondContact O-CG1 3.46Å; Y83-I87 PolarHBondContact O-N 3.42Å
84	S	95.8	Very high	94.1	Very high	52 Å²	52	68 Å²	68	36%	0.364	34%	0.335	S	S	.	.	H	α-helix	trans	-66.1	-34	177.4	67.1	0	0	0	0	113	E80 E81 N82 R88	E80-S84 WeakPolarHBondContact O-CB 3.38Å; E80-S84 PolarHBondContact O-N 3.09Å; E80-S84 PolarHBondContact O-OG 3.1Å; E80-S84 VanDerWaalsContact O-OG 3.05Å; E81-S84 PolarHBondContact O-OG 3.18Å; N82-S84 PolarHBondContact O-N 2.99Å; S84-R88 WeakPolarHBondContact O-CG 3.22Å; S84-R88 PolarHBondContact O-N 3.07Å; S84-R88 PolarHBondContact O-NE 2.91Å
85	A	95.6	Very high	93.9	Very high	13 Å²	13	71.2 Å²	71.2	11%	0.107	35%	0.35	C	S	.	.	H	α-helix	trans	-67.9	-42.4	172.7	0	0	0	0	0	111.8	E81 N82 Y83 R88 W89 Y686	E81-A85 WeakPolarHBondContact O-CB 3.29Å; E81-A85 PolarHBondContact O-N 3.36Å; E81-A85 VanDerWaalsContact O-N 3.08Å; N82-A85 PolarHBondContact O-N 2.91Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.12Å; A85-R88 PolarHBondContact O-N 3.28Å; A85-W89 WeakPolarHBondContact O-CB 3.3Å; A85-W89 PolarHBondContact O-N 3.18Å; A85-Y686 HydrophobicContact CB-CD1 3.67Å; A85-Y686 HydrophobicContact CB-CD2 3.89Å; A85-Y686 HydrophobicContact CB-CE1 4.07Å; A85-Y686 HydrophobicContact CB-CE2 4.28Å; A85-Y686 HydrophobicContact CB-CG 3.58Å
86	I	94.6	Very high	93.6	Very high	7 Å²	7	77.4 Å²	77.4	4%	0.036	38%	0.377	C	S	.	.	H	α-helix	trans	-65.1	-43	177.8	-77.6	-70.8	0	0	0	112.7	N82 Y83 R88 W89 K90 Y686 D690	N82-I86 WeakPolarHBondContact O-CB 3.33Å; N82-I86 WeakPolarHBondContact O-CG1 3.49Å; N82-I86 PolarHBondContact O-N 3.28Å; Y83-I86 PolarHBondContact O-N 2.98Å; I86-R88 VanDerWaalsContact C-N 3.32Å; I86-R88 PolarHBondContact O-N 2.89Å; I86-W89 PolarHBondContact O-N 3.14Å; I86-K90 HydrophobicContact CG2-CD 3.76Å; I86-K90 HydrophobicContact CG2-CG 4.24Å; I86-K90 WeakPolarHBondContact O-CB 3.44Å; I86-K90 WeakPolarHBondContact O-CG 3.48Å; I86-K90 PolarHBondContact O-N 2.86Å; I86-Y686 HydrophobicContact CD1-CD2 3.6Å; I86-Y686 HydrophobicContact CD1-CE2 4.34Å; I86-Y686 HydrophobicContact CG1-CD2 3.85Å; I86-D690 HydrophobicContact CD1-CB 3.3Å; I86-D690 HydrophobicContact CG1-CB 3.78Å
87	I	94	Very high	93.2	Very high	74 Å²	74	77 Å²	77	38%	0.379	39%	0.387	S	S	.	.	H	α-helix	trans	-57.8	-49.4	176.9	-73.3	167.9	0	0	0	110.1	Y83 W89 K90 V91	Y83-I87 HydrophobicContact CD1-CD1 3.63Å; Y83-I87 HydrophobicContact CE1-CD1 3.15Å; Y83-I87 HydrophobicContact CE1-CG1 4.2Å; Y83-I87 HydrophobicContact CE2-CD1 4.19Å; Y83-I87 HydrophobicContact CE2-CG1 4.46Å; Y83-I87 HydrophobicContact CG-CD1 4.33Å; Y83-I87 VanDerWaalsContact CZ-CD1 3.47Å; Y83-I87 WeakPolarHBondContact O-CG1 3.46Å; Y83-I87 PolarHBondContact O-N 3.42Å; I87-W89 VanDerWaalsContact C-N 3.32Å; I87-W89 PolarHBondContact O-N 3.49Å; I87-K90 PolarHBondContact O-N 2.98Å; I87-V91 WeakPolarHBondContact O-CG2 3.47Å; I87-V91 PolarHBondContact O-N 2.89Å
88	R	95.6	Very high	92.6	Very high	161 Å²	161	78.7 Å²	78.7	61%	0.608	40%	0.395	S	S	*	.	H	α-helix	trans	-57.5	-47.7	178	-73.8	-177.4	-72.3	168.9	-3.4	111.1	S84 A85 I86 K90 V91 D92	S84-R88 WeakPolarHBondContact O-CG 3.22Å; S84-R88 PolarHBondContact O-N 3.07Å; S84-R88 PolarHBondContact O-NE 2.91Å; A85-R88 PolarHBondContact O-N 3.28Å; I86-R88 VanDerWaalsContact C-N 3.32Å; I86-R88 PolarHBondContact O-N 2.89Å; R88-K90 PolarHBondContact O-N 3.38Å; R88-V91 PolarHBondContact O-N 3.3Å; R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.38Å
89	W	94.3	Very high	92.2	Very high	87 Å²	87	84.2 Å²	84.2	33%	0.33	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-40.3	177.5	-179.8	84.8	0	0	0	113.4	A85 I86 I87 D92 A93 Y686	A85-W89 WeakPolarHBondContact O-CB 3.3Å; A85-W89 PolarHBondContact O-N 3.18Å; I86-W89 PolarHBondContact O-N 3.14Å; I87-W89 VanDerWaalsContact C-N 3.32Å; I87-W89 PolarHBondContact O-N 3.49Å; W89-D92 PolarHBondContact O-N 2.78Å; W89-A93 VanDerWaalsContact O-CB 3.23Å; W89-A93 WeakPolarHBondContact O-CB 3.36Å; W89-A93 PolarHBondContact O-N 3.2Å; W89-Y686 HydrophobicContact CB-CE2 3.77Å; W89-Y686 HydrophobicContact CG-CE2 4.05Å
90	K	91.4	Very high	91.8	Very high	95 Å²	95	87 Å²	87	41%	0.413	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-37.7	177.9	-76.1	178	177	159.7	0	111.7	I86 I87 R88 A94 D690	I86-K90 HydrophobicContact CG2-CD 3.76Å; I86-K90 HydrophobicContact CG2-CG 4.24Å; I86-K90 WeakPolarHBondContact O-CB 3.44Å; I86-K90 WeakPolarHBondContact O-CG 3.48Å; I86-K90 PolarHBondContact O-N 2.86Å; I87-K90 PolarHBondContact O-N 2.98Å; R88-K90 PolarHBondContact O-N 3.38Å; K90-A94 WeakPolarHBondContact O-CB 3.46Å; K90-A94 PolarHBondContact O-N 3.49Å; K90-D690 WeakPolarHBondContact CE-OD2 3.36Å; K90-D690 IonicContact NZ-OD1 3.68Å; K90-D690 PolarHBondContact NZ-OD1 3.04Å; K90-D690 VanDerWaalsContact NZ-OD1 3.07Å; K90-D690 IonicContact NZ-OD2 2.89Å; K90-D690 PolarHBondContact NZ-OD2 3.07Å
91	V	92.7	Very high	91.2	Very high	72 Å²	72	87 Å²	87	44%	0.436	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-52.4	173.8	172.8	0	0	0	0	110.3	I87 R88 A93 A94 E95	I87-V91 WeakPolarHBondContact O-CG2 3.47Å; I87-V91 PolarHBondContact O-N 2.89Å; R88-V91 PolarHBondContact O-N 3.3Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.2Å; V91-A94 PolarHBondContact O-N 2.77Å; V91-A94 VanDerWaalsContact O-N 3.09Å; V91-E95 PolarHBondContact O-N 2.78Å
92	D	93.2	Very high	90.6	Very high	101 Å²	101	90.8 Å²	90.8	54%	0.54	43%	0.432	S	S	.	.	H	α-helix	trans	-58.8	-39.6	178.9	-64.8	-13.9	0	0	0	111.7	R88 W89 K96	R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.38Å; W89-D92 PolarHBondContact O-N 2.78Å; D92-K96 WeakPolarHBondContact O-CB 3.48Å; D92-K96 PolarHBondContact O-N 3.01Å
93	A	89.4	Confident	90.2	Very high	36 Å²	36	94.7 Å²	94.7	30%	0.298	45%	0.451	S	S	.	.	H	α-helix	trans	-67.2	-38.3	177.2	0	0	0	0	0	112.5	W89 V91 A97	W89-A93 VanDerWaalsContact O-CB 3.23Å; W89-A93 WeakPolarHBondContact O-CB 3.36Å; W89-A93 PolarHBondContact O-N 3.2Å; V91-A93 VanDerWaalsContact C-N 3.26Å; V91-A93 PolarHBondContact O-N 3.2Å; A93-A97 WeakPolarHBondContact O-CB 3.25Å; A93-A97 PolarHBondContact O-N 3.09Å
94	A	87.8	Confident	89.5	Confident	60 Å²	60	92.3 Å²	92.3	50%	0.496	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-45.1	177.2	0	0	0	0	0	111.8	K90 V91 K96 A97 E98	K90-A94 WeakPolarHBondContact O-CB 3.46Å; K90-A94 PolarHBondContact O-N 3.49Å; V91-A94 PolarHBondContact O-N 2.77Å; V91-A94 VanDerWaalsContact O-N 3.09Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.81Å; A94-A97 PolarHBondContact O-N 2.71Å; A94-E98 PolarHBondContact O-N 3.25Å
95	E	90.4	Very high	88.5	Confident	122 Å²	122	96 Å²	96	57%	0.57	47%	0.472	S	S	*	.	H	α-helix	trans	-59.8	-42	175.1	-70.2	-176.6	175.7	0	0	111.3	V91 E98 W99	V91-E95 PolarHBondContact O-N 2.78Å; E95-E98 PolarHBondContact O-N 3.48Å; E95-W99 WeakPolarHBondContact O-CB 3.39Å; E95-W99 PolarHBondContact O-N 3.35Å
96	K	90.3	Very high	87.7	Confident	132 Å²	132	97.9 Å²	97.9	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-62.9	-44	175.2	-174.2	-179.6	175.6	-169.4	0	112.1	D92 A94 W99 E100	D92-K96 WeakPolarHBondContact O-CB 3.48Å; D92-K96 PolarHBondContact O-N 3.01Å; A94-K96 VanDerWaalsContact C-N 3.29Å; A94-K96 PolarHBondContact O-N 2.81Å; K96-W99 PolarHBondContact O-N 2.87Å; K96-E100 WeakPolarHBondContact CE-OE1 3.26Å; K96-E100 IonicContact NZ-OE1 2.75Å; K96-E100 WeakPolarHBondContact O-CG 3.47Å; K96-E100 PolarHBondContact O-N 2.84Å
97	A	86.3	Confident	87	Confident	53 Å²	53	100.6 Å²	100.6	44%	0.438	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-38.6	178.7	0	0	0	0	0	112.2	A93 A94 E100 R101	A93-A97 WeakPolarHBondContact O-CB 3.25Å; A93-A97 PolarHBondContact O-N 3.09Å; A94-A97 PolarHBondContact O-N 2.71Å; A97-E100 PolarHBondContact O-N 3.43Å; A97-R101 WeakPolarHBondContact O-CB 3.06Å; A97-R101 PolarHBondContact O-N 2.92Å
98	E	84.6	Confident	86.7	Confident	136 Å²	136	97.7 Å²	97.7	64%	0.636	50%	0.496	S	S	*	.	H	α-helix	trans	-63.1	-44.1	173.9	-176.6	172	-164.6	0	0	111.4	A94 E95 R101 Y102	A94-E98 PolarHBondContact O-N 3.25Å; E95-E98 PolarHBondContact O-N 3.48Å; E98-R101 PolarHBondContact O-N 3.24Å; E98-Y102 PolarHBondContact O-N 3.25Å
99	W	86.5	Confident	86.5	Confident	162 Å²	162	90.8 Å²	90.8	61%	0.614	47%	0.471	S	S	*	.	H	α-helix	trans	-62.4	-45	174.6	-177.6	-101.6	0	0	0	112.5	E95 K96 R101 Y102 M103	E95-W99 WeakPolarHBondContact O-CB 3.39Å; E95-W99 PolarHBondContact O-N 3.35Å; K96-W99 PolarHBondContact O-N 2.87Å; W99-R101 VanDerWaalsContact C-N 3.29Å; W99-R101 PolarHBondContact O-N 3.17Å; W99-Y102 HydrophobicContact CZ3-CD1 4.29Å; W99-Y102 PolarHBondContact O-N 2.83Å; W99-M103 HydrophobicContact CD2-CG 4.48Å; W99-M103 HydrophobicContact CZ2-CG 4.33Å; W99-M103 HydrophobicContact CZ2-SD 4.01Å; W99-M103 VanDerWaalsContact O-CG 3.28Å; W99-M103 WeakPolarHBondContact O-CG 3.37Å; W99-M103 PolarHBondContact O-N 2.76Å
100	E	87.1	Confident	86.2	Confident	102 Å²	102	90.1 Å²	90.1	48%	0.477	47%	0.474	S	S	.	.	H	α-helix	trans	-60	-40.9	175.5	-75.6	175.7	-178.9	0	0	111.5	K96 A97 M103 L104	K96-E100 WeakPolarHBondContact CE-OE1 3.26Å; K96-E100 IonicContact NZ-OE1 2.75Å; K96-E100 WeakPolarHBondContact O-CG 3.47Å; K96-E100 PolarHBondContact O-N 2.84Å; A97-E100 PolarHBondContact O-N 3.43Å; E100-M103 PolarHBondContact O-N 2.93Å; E100-L104 WeakPolarHBondContact O-CD1 3.26Å; E100-L104 WeakPolarHBondContact O-CG 3.37Å; E100-L104 PolarHBondContact O-N 3.08Å; E100-L104 VanDerWaalsContact O-N 3.13Å
101	R	82.1	Confident	86.1	Confident	82 Å²	82	85.8 Å²	85.8	31%	0.309	46%	0.456	S	S	.	.	H	α-helix	trans	-64	-43.1	175.2	-176.1	59.8	175.1	159	5.7	112.1	A97 E98 W99 M103 L104 D106 V108 P109	A97-R101 WeakPolarHBondContact O-CB 3.06Å; A97-R101 PolarHBondContact O-N 2.92Å; E98-R101 PolarHBondContact O-N 3.24Å; W99-R101 VanDerWaalsContact C-N 3.29Å; W99-R101 PolarHBondContact O-N 3.17Å; R101-M103 VanDerWaalsContact C-N 3.26Å; R101-M103 PolarHBondContact O-N 3.15Å; R101-L104 WeakPolarHBondContact O-CB 3.05Å; R101-L104 PolarHBondContact O-N 2.84Å; R101-D106 IonicContact NH1-OD1 2.7Å; R101-V108 PolarHBondContact NH2-O 2.85Å; R101-P109 PolarHBondContact NH2-O 3.1Å
102	Y	82	Confident	85.9	Confident	181 Å²	181	88.9 Å²	88.9	71%	0.71	46%	0.464	S	S	*	.	H	α-helix	trans	-61	-36.1	175.8	178.7	-99.6	0	0	0	112.3	E98 W99 L104	E98-Y102 PolarHBondContact O-N 3.25Å; W99-Y102 HydrophobicContact CZ3-CD1 4.29Å; W99-Y102 PolarHBondContact O-N 2.83Å; Y102-L104 VanDerWaalsContact C-N 3.34Å
103	M	85.6	Confident	85.7	Confident	114 Å²	114	87.5 Å²	87.5	56%	0.562	46%	0.456	S	S	*	.	H	α-helix	trans	-79.9	-12.4	179.3	-66.5	-63.5	-64.8	0	0	113.9	W99 E100 R101 C105	W99-M103 HydrophobicContact CD2-CG 4.48Å; W99-M103 HydrophobicContact CZ2-CG 4.33Å; W99-M103 HydrophobicContact CZ2-SD 4.01Å; W99-M103 VanDerWaalsContact O-CG 3.28Å; W99-M103 WeakPolarHBondContact O-CG 3.37Å; W99-M103 PolarHBondContact O-N 2.76Å; E100-M103 PolarHBondContact O-N 2.93Å; R101-M103 VanDerWaalsContact C-N 3.26Å; R101-M103 PolarHBondContact O-N 3.15Å; M103-C105 PolarHBondContact O-N 3.2Å
104	L	80.5	Confident	85.6	Confident	97 Å²	97	88.9 Å²	88.9	51%	0.508	46%	0.456	S	S	.	.			trans	-78.1	110.6	179.8	-89.5	153.4	0	0	0	110.9	E100 R101 Y102 D106	E100-L104 WeakPolarHBondContact O-CD1 3.26Å; E100-L104 WeakPolarHBondContact O-CG 3.37Å; E100-L104 PolarHBondContact O-N 3.08Å; E100-L104 VanDerWaalsContact O-N 3.13Å; R101-L104 WeakPolarHBondContact O-CB 3.05Å; R101-L104 PolarHBondContact O-N 2.84Å; Y102-L104 VanDerWaalsContact C-N 3.34Å; L104-D106 PolarHBondContact O-N 2.79Å
105	C	74.8	Confident	85.8	Confident	130 Å²	130	95.8 Å²	95.8	88%	0.878	47%	0.47	S	S	*	.			trans	-96.5	65	170.4	-60.7	0	0	0	0	111	M103	M103-C105 PolarHBondContact O-N 3.2Å
106	D	79.3	Confident	85.8	Confident	52 Å²	52	91.4 Å²	91.4	28%	0.278	45%	0.454	S	S	.	.	S	Bend	trans	-99.5	5.5	-178.8	81.6	-27.7	0	0	0	114.4	R101 L104 V108 K144	R101-D106 IonicContact NH1-OD1 2.7Å; L104-D106 PolarHBondContact O-N 2.79Å; D106-V108 PolarHBondContact O-N 3.28Å; D106-V108 WeakPolarHBondContact OD1-CB 3.48Å; D106-V108 WeakPolarHBondContact OD1-CG2 3.36Å; D106-V108 PolarHBondContact OD1-N 2.62Å; D106-V108 WeakPolarHBondContact OD2-CG2 3.33Å; D106-K144 IonicContact OD2-NZ 2.79Å; D106-K144 PolarHBondContact OD2-NZ 2.85Å
107	G	79.4	Confident	85.9	Confident	63 Å²	63	85.1 Å²	85.1	65%	0.649	43%	0.427	S	S	*	.	S	Bend	trans	73.7	3	178.5	0	0	0	0	0	114.5
108	V	87.9	Confident	86.2	Confident	14 Å²	14	85.9 Å²	85.9	9%	0.085	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-86.8	123.8	175.4	-175.2	0	0	0	0	108.4	R101 D106 K144 L145	R101-V108 PolarHBondContact NH2-O 2.85Å; D106-V108 PolarHBondContact O-N 3.28Å; D106-V108 WeakPolarHBondContact OD1-CB 3.48Å; D106-V108 WeakPolarHBondContact OD1-CG2 3.36Å; D106-V108 PolarHBondContact OD1-N 2.62Å; D106-V108 WeakPolarHBondContact OD2-CG2 3.33Å; V108-K144 HydrophobicContact CG1-CB 4.15Å; V108-K144 HydrophobicContact CG2-CB 4.19Å; V108-K144 HydrophobicContact CG2-CD 3.55Å; V108-L145 HydrophobicContact CG1-CB 4.27Å
109	P	90.4	Very high	86.6	Confident	15 Å²	15	83.1 Å²	83.1	10%	0.097	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-61.6	150.9	177.7	27.6	-34.6	0	0	0	110.7	R101 A111 A116 F120 L145	R101-P109 PolarHBondContact NH2-O 3.1Å; P109-A111 PolarHBondContact O-N 3.5Å; P109-A116 HydrophobicContact CB-CB 3.95Å; P109-F120 HydrophobicContact CB-CB 4.28Å; P109-F120 HydrophobicContact CG-CB 3.82Å; P109-F120 HydrophobicContact CG-CD1 4.25Å; P109-F120 HydrophobicContact CG-CD2 4.3Å; P109-F120 HydrophobicContact CG-CG 3.87Å; P109-L145 HydrophobicContact CG-CD1 3.96Å; P109-L145 HydrophobicContact CG-CD2 3.55Å; P109-L145 HydrophobicContact CG-CG 4.25Å
110	D	88.3	Confident	86.8	Confident	74 Å²	74	76.5 Å²	76.5	40%	0.396	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-69.4	120.3	171.2	-174.2	-2.7	0	0	0	109.3	K112 D113	D110-K112 PolarHBondContact O-N 3.06Å; D110-K112 PolarHBondContact OD1-N 3.15Å; D110-D113 HydrophobicContact CB-CB 4.24Å; D110-D113 PolarHBondContact O-N 3.2Å
111	A	89.8	Confident	86.9	Confident	3 Å²	3	71.8 Å²	71.8	3%	0.025	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.2	179.5	0	0	0	0	0	112.5	P109 L145 A148 L149 L152	P109-A111 PolarHBondContact O-N 3.5Å; A111-L145 HydrophobicContact CB-CD1 3.94Å; A111-A148 HydrophobicContact CB-CB 3.77Å; A111-L149 HydrophobicContact CB-CD2 4.02Å; A111-L149 HydrophobicContact CB-CG 4.18Å; A111-L152 HydrophobicContact CB-CD1 3.55Å
112	K	87.6	Confident	87.3	Confident	138 Å²	138	71.4 Å²	71.4	60%	0.6	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-23.4	173.9	-65	-177.3	-178.8	177.6	0	112.8	D110 L152	D110-K112 PolarHBondContact O-N 3.06Å; D110-K112 PolarHBondContact OD1-N 3.15Å; K112-L152 HydrophobicContact CD-CD2 4.45Å; K112-L152 HydrophobicContact CG-CD1 3.81Å; K112-L152 HydrophobicContact CG-CD2 3.92Å
113	D	89.5	Confident	87.7	Confident	72 Å²	72	66.7 Å²	66.7	39%	0.385	36%	0.364	S	S	.	.			trans	-95.3	96.7	177.6	-177.4	3.2	0	0	0	111.2	D110 R115 A116 V117	D110-D113 HydrophobicContact CB-CB 4.24Å; D110-D113 PolarHBondContact O-N 3.2Å; D113-R115 PolarHBondContact O-N 2.79Å; D113-R115 VanDerWaalsContact O-N 3.1Å; D113-R115 WeakPolarHBondContact OD1-CB 3.47Å; D113-R115 PolarHBondContact OD1-N 2.82Å; D113-A116 HydrophobicContact CB-CB 3.95Å; D113-A116 WeakPolarHBondContact O-CB 3.24Å; D113-A116 PolarHBondContact O-N 2.83Å; D113-A116 PolarHBondContact OD1-N 2.88Å; D113-V117 PolarHBondContact O-N 3.32Å; D113-V117 VanDerWaalsContact O-N 3.1Å
114	Q	88.6	Confident	87.9	Confident	64 Å²	64	61.6 Å²	61.6	30%	0.299	34%	0.338	S	S	.	.	H	α-helix	trans	-55.9	-30.6	178.2	-167.1	65.1	43.4	0	0	113.2	N118	Q114-N118 PolarHBondContact NE2-OD1 2.87Å; Q114-N118 WeakPolarHBondContact O-CB 3.18Å; Q114-N118 PolarHBondContact O-N 3.32Å; Q114-N118 PolarHBondContact O-OD1 3.02Å
115	R	91.1	Very high	88.1	Confident	206 Å²	206	61.6 Å²	61.6	78%	0.777	33%	0.334	S	S	*	.	H	α-helix	trans	-70.4	-40.6	178.9	-62.6	-178.4	-176.4	179.5	3	110.8	D113 T119	D113-R115 PolarHBondContact O-N 2.79Å; D113-R115 VanDerWaalsContact O-N 3.1Å; D113-R115 WeakPolarHBondContact OD1-CB 3.47Å; D113-R115 PolarHBondContact OD1-N 2.82Å; R115-T119 VanDerWaalsContact O-CB 3.3Å; R115-T119 WeakPolarHBondContact O-CB 3.47Å; R115-T119 PolarHBondContact O-N 3.4Å; R115-T119 PolarHBondContact O-OG1 2.89Å
116	A	91	Very high	88.4	Confident	29 Å²	29	61.1 Å²	61.1	24%	0.24	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-44.7	175.6	0	0	0	0	0	111.1	P109 D113 T119 F120	P109-A116 HydrophobicContact CB-CB 3.95Å; D113-A116 HydrophobicContact CB-CB 3.95Å; D113-A116 WeakPolarHBondContact O-CB 3.24Å; D113-A116 PolarHBondContact O-N 2.83Å; D113-A116 PolarHBondContact OD1-N 2.88Å; A116-T119 PolarHBondContact O-N 2.93Å; A116-F120 WeakPolarHBondContact O-CB 3.48Å; A116-F120 PolarHBondContact O-N 2.74Å
117	V	91.8	Very high	87.8	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.1	-51.6	176	177.6	0	0	0	0	111.3	D113 T119 F120 V121 L145 A168	D113-V117 PolarHBondContact O-N 3.32Å; D113-V117 VanDerWaalsContact O-N 3.1Å; V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 PolarHBondContact O-N 3.4Å; V117-F120 WeakPolarHBondContact O-CB 3.33Å; V117-F120 PolarHBondContact O-N 2.76Å; V117-V121 HydrophobicContact CG1-CG2 4.39Å; V117-V121 WeakPolarHBondContact O-CB 3.39Å; V117-V121 WeakPolarHBondContact O-CG2 3.19Å; V117-V121 PolarHBondContact O-N 2.79Å; V117-L145 HydrophobicContact CG1-CD2 4.41Å; V117-L145 HydrophobicContact CG2-CD1 4.19Å; V117-A168 HydrophobicContact CG1-CB 4.09Å
118	N	92	Very high	87	Confident	70 Å²	70	66.7 Å²	66.7	37%	0.374	33%	0.334	S	S	.	.	H	α-helix	trans	-62.3	-37.2	-179.7	-68.5	-1.5	0	0	0	112.1	Q114 T122	Q114-N118 PolarHBondContact NE2-OD1 2.87Å; Q114-N118 WeakPolarHBondContact O-CB 3.18Å; Q114-N118 PolarHBondContact O-N 3.32Å; Q114-N118 PolarHBondContact O-OD1 3.02Å; N118-T122 WeakPolarHBondContact O-CB 3.31Å; N118-T122 PolarHBondContact O-N 3.48Å; N118-T122 PolarHBondContact O-OG1 3.14Å
119	T	92.4	Very high	85.7	Confident	78 Å²	78	74 Å²	74	48%	0.479	37%	0.372	S	S	.	.	H	α-helix	trans	-64.3	-47.2	176	-58.7	0	0	0	0	110.4	R115 A116 V117 T122 L123	R115-T119 VanDerWaalsContact O-CB 3.3Å; R115-T119 WeakPolarHBondContact O-CB 3.47Å; R115-T119 PolarHBondContact O-N 3.4Å; R115-T119 PolarHBondContact O-OG1 2.89Å; A116-T119 PolarHBondContact O-N 2.93Å; V117-T119 VanDerWaalsContact C-N 3.28Å; V117-T119 PolarHBondContact O-N 3.4Å; T119-T122 PolarHBondContact O-N 3.48Å; T119-L123 HydrophobicContact CG2-CD1 3.71Å; T119-L123 HydrophobicContact CG2-CG 4.29Å; T119-L123 WeakPolarHBondContact O-CB 3.36Å; T119-L123 WeakPolarHBondContact O-CG 3.28Å; T119-L123 PolarHBondContact O-N 3.26Å
120	F	91.4	Very high	84.6	Confident	23 Å²	23	74.5 Å²	74.5	10%	0.101	38%	0.375	C	S	.	.	H	α-helix	trans	-57.5	-50.9	176	173.8	-97.7	0	0	0	111.7	P109 A116 V117 T122 W124 L138 A142 L145	P109-F120 HydrophobicContact CB-CB 4.28Å; P109-F120 HydrophobicContact CG-CB 3.82Å; P109-F120 HydrophobicContact CG-CD1 4.25Å; P109-F120 HydrophobicContact CG-CD2 4.3Å; P109-F120 HydrophobicContact CG-CG 3.87Å; A116-F120 WeakPolarHBondContact O-CB 3.48Å; A116-F120 PolarHBondContact O-N 2.74Å; V117-F120 WeakPolarHBondContact O-CB 3.33Å; V117-F120 PolarHBondContact O-N 2.76Å; F120-T122 PolarHBondContact O-N 3.42Å; F120-W124 HydrophobicContact CE1-CD2 4.39Å; F120-W124 AromaticContact CE1-CE3 3.64Å; F120-W124 HydrophobicContact CE1-CE3 3.64Å; F120-W124 HydrophobicContact CE1-CZ3 4.12Å; F120-W124 HydrophobicContact CZ-CD2 4.19Å; F120-W124 AromaticContact CZ-CE3 3.82Å; F120-W124 HydrophobicContact CZ-CE3 3.82Å; F120-W124 HydrophobicContact CZ-CZ3 4.3Å; F120-W124 WeakPolarHBondContact O-CB 3.44Å; F120-W124 PolarHBondContact O-N 3.32Å; F120-L138 HydrophobicContact CE2-CD2 4.26Å; F120-A142 HydrophobicContact CE1-CB 4.29Å; F120-A142 HydrophobicContact CZ-CB 4.26Å; F120-L145 HydrophobicContact CD1-CD2 3.97Å; F120-L145 HydrophobicContact CE1-CD2 4.21Å
121	V	90.6	Very high	84.3	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.012	38%	0.38	C	S	.	.	H	α-helix	trans	-56.6	-50.2	178.2	161.7	0	0	0	0	111.7	V117 W124 K125 E171 V172 I175	V117-V121 HydrophobicContact CG1-CG2 4.39Å; V117-V121 WeakPolarHBondContact O-CB 3.39Å; V117-V121 WeakPolarHBondContact O-CG2 3.19Å; V117-V121 PolarHBondContact O-N 2.79Å; V121-W124 PolarHBondContact O-N 3.37Å; V121-K125 HydrophobicContact CG1-CD 4.12Å; V121-K125 WeakPolarHBondContact O-CB 3.33Å; V121-K125 WeakPolarHBondContact O-CG 3.46Å; V121-K125 PolarHBondContact O-N 2.7Å; V121-E171 HydrophobicContact CG1-CG 3.78Å; V121-E171 WeakPolarHBondContact CG1-OE1 3.39Å; V121-V172 HydrophobicContact CG2-CG2 3.73Å; V121-I175 HydrophobicContact CB-CD1 4.12Å; V121-I175 HydrophobicContact CG1-CD1 3.7Å; V121-I175 HydrophobicContact CG2-CD1 4.11Å
122	T	90.5	Very high	84	Confident	75 Å²	75	77.1 Å²	77.1	46%	0.46	39%	0.388	S	S	.	.	H	α-helix	trans	-65.1	-48.5	-176.3	-54	0	0	0	0	110.9	N118 T119 F120 W124 K125 D126	N118-T122 WeakPolarHBondContact O-CB 3.31Å; N118-T122 PolarHBondContact O-N 3.48Å; N118-T122 PolarHBondContact O-OG1 3.14Å; T119-T122 PolarHBondContact O-N 3.48Å; F120-T122 PolarHBondContact O-N 3.42Å; T122-W124 VanDerWaalsContact C-N 3.34Å; T122-W124 PolarHBondContact O-N 2.72Å; T122-K125 PolarHBondContact O-N 3.16Å; T122-D126 PolarHBondContact O-N 3.32Å; T122-D126 VanDerWaalsContact O-N 3.11Å
123	L	89.3	Confident	83.9	Confident	82 Å²	82	75 Å²	75	43%	0.429	38%	0.381	S	S	.	.	H	α-helix	trans	-59.9	-48.1	177.7	-66.1	171.9	0	0	0	110.1	T119 K125 D126 Y127	T119-L123 HydrophobicContact CG2-CD1 3.71Å; T119-L123 HydrophobicContact CG2-CG 4.29Å; T119-L123 WeakPolarHBondContact O-CB 3.36Å; T119-L123 WeakPolarHBondContact O-CG 3.28Å; T119-L123 PolarHBondContact O-N 3.26Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 3.13Å; L123-D126 PolarHBondContact O-N 3.1Å; L123-Y127 HydrophobicContact CB-CD2 4.18Å; L123-Y127 HydrophobicContact CB-CE2 3.98Å; L123-Y127 HydrophobicContact CD2-CE2 3.75Å; L123-Y127 HydrophobicContact CG-CE2 4.42Å; L123-Y127 WeakPolarHBondContact O-CD2 3.11Å; L123-Y127 PolarHBondContact O-N 3.14Å; L123-Y127 VanDerWaalsContact O-N 3.09Å
124	W	89.1	Confident	83.7	Confident	6 Å²	6	76.6 Å²	76.6	2%	0.023	39%	0.386	C	S	.	.	H	α-helix	trans	-65.9	-32.9	-175.7	-165.5	26.4	0	0	0	113.4	F120 V121 T122 E135 L138 A142 I175 L176 K179	F120-W124 HydrophobicContact CE1-CD2 4.39Å; F120-W124 AromaticContact CE1-CE3 3.64Å; F120-W124 HydrophobicContact CE1-CE3 3.64Å; F120-W124 HydrophobicContact CE1-CZ3 4.12Å; F120-W124 HydrophobicContact CZ-CD2 4.19Å; F120-W124 AromaticContact CZ-CE3 3.82Å; F120-W124 HydrophobicContact CZ-CE3 3.82Å; F120-W124 HydrophobicContact CZ-CZ3 4.3Å; F120-W124 WeakPolarHBondContact O-CB 3.44Å; F120-W124 PolarHBondContact O-N 3.32Å; V121-W124 PolarHBondContact O-N 3.37Å; T122-W124 VanDerWaalsContact C-N 3.34Å; T122-W124 PolarHBondContact O-N 2.72Å; W124-E135 PolarHBondContact NE1-OE1 2.85Å; W124-L138 HydrophobicContact CZ2-CB 4.18Å; W124-A142 HydrophobicContact CE3-CB 4.34Å; W124-A142 HydrophobicContact CH2-CB 3.42Å; W124-A142 VanDerWaalsContact CH2-CB 3.42Å; W124-A142 HydrophobicContact CZ2-CB 4.46Å; W124-A142 HydrophobicContact CZ3-CB 3.34Å; W124-I175 HydrophobicContact CD2-CG2 3.63Å; W124-I175 HydrophobicContact CE3-CB 4.03Å; W124-I175 HydrophobicContact CE3-CD1 4.4Å; W124-I175 HydrophobicContact CE3-CG2 3.35Å; W124-I175 HydrophobicContact CG-CG2 4.21Å; W124-I175 HydrophobicContact CH2-CG2 4.2Å; W124-I175 HydrophobicContact CZ2-CG2 4.45Å; W124-I175 HydrophobicContact CZ3-CB 4.01Å; W124-I175 HydrophobicContact CZ3-CG2 3.64Å; W124-L176 HydrophobicContact CH2-CB 3.96Å; W124-L176 HydrophobicContact CH2-CD1 3.85Å; W124-L176 HydrophobicContact CZ3-CB 4.35Å; W124-K179 HydrophobicContact CH2-CG 4.41Å; W124-K179 HydrophobicContact CZ2-CB 4.08Å; W124-K179 HydrophobicContact CZ2-CG 3.68Å; W124-K179 WeakPolarHBondContact O-CE 3.49Å; W124-K179 PolarHBondContact O-NZ 3.14Å
125	K	85.9	Confident	83.6	Confident	97 Å²	97	73.6 Å²	73.6	42%	0.422	37%	0.372	S	S	.	.	H	α-helix	trans	-64.5	-45.2	171.4	-80.4	174.9	171.2	-179.5	0	112.5	V121 T122 L123 E171 I175	V121-K125 HydrophobicContact CG1-CD 4.12Å; V121-K125 WeakPolarHBondContact O-CB 3.33Å; V121-K125 WeakPolarHBondContact O-CG 3.46Å; V121-K125 PolarHBondContact O-N 2.7Å; T122-K125 PolarHBondContact O-N 3.16Å; L123-K125 VanDerWaalsContact C-N 3.31Å; L123-K125 PolarHBondContact O-N 3.13Å; K125-E171 IonicContact NZ-OE1 2.62Å; K125-E171 PolarHBondContact NZ-OE1 3.01Å; K125-I175 HydrophobicContact CD-CD1 4.01Å; K125-I175 HydrophobicContact CD-CG1 4.08Å; K125-I175 VanDerWaalsContact CE-CD1 3.5Å; K125-I175 HydrophobicContact CG-CD1 3.72Å; K125-I175 HydrophobicContact CG-CG1 3.64Å
126	D	79.9	Confident	83.3	Confident	121 Å²	121	64.5 Å²	64.5	65%	0.647	34%	0.338	S	S	*	.	H	α-helix	trans	-80.2	-27.5	-170.6	-70.2	-17.5	0	0	0	113.6	T122 L123	T122-D126 PolarHBondContact O-N 3.32Å; T122-D126 VanDerWaalsContact O-N 3.11Å; L123-D126 PolarHBondContact O-N 3.1Å
127	Y	68.3	Low	83.1	Confident	150 Å²	150	68.2 Å²	68.2	59%	0.588	35%	0.351	S	S	*	.			trans	-83	122.9	177.5	-68.9	-70.9	0	0	0	111.9	L123 K179	L123-Y127 HydrophobicContact CB-CD2 4.18Å; L123-Y127 HydrophobicContact CB-CE2 3.98Å; L123-Y127 HydrophobicContact CD2-CE2 3.75Å; L123-Y127 HydrophobicContact CG-CE2 4.42Å; L123-Y127 WeakPolarHBondContact O-CD2 3.11Å; L123-Y127 PolarHBondContact O-N 3.14Å; L123-Y127 VanDerWaalsContact O-N 3.09Å; Y127-K179 PolarHBondContact O-NZ 3.13Å
128	S	61	Low	83	Confident	81 Å²	81	71 Å²	71	57%	0.566	37%	0.366	S	S	*	.			trans	-127.9	-0.8	-174.9	50.5	0	0	0	0	115.3	F182	S128-F182 WeakPolarHBondContact O-CZ 3.31Å
129	D	62.3	Low	82.8	Confident	167 Å²	167	68 Å²	68	89%	0.893	35%	0.349	S	S	*	.			trans	-112.9	22.1	-173.8	-129.5	3.4	0	0	0	113.4
130	T	66.6	Low	82.6	Confident	27 Å²	27	66 Å²	66	17%	0.166	34%	0.336	C	S	.	.			trans	-75.2	151.3	179.9	22.9	0	0	0	0	112.4	E134 E135 K186	T130-E134 HydrophobicContact CG2-CB 4.48Å; T130-E135 PolarHBondContact OG1-OE2 2.95Å; T130-K186 PolarHBondContact O-NZ 2.74Å
131	D	82.5	Confident	82.6	Confident	91 Å²	91	65.8 Å²	65.8	49%	0.487	34%	0.337	S	S	.	.			trans	-64.3	153.6	170.4	-177.2	54.6	0	0	0	110.8	E133 E134 E135	D131-E133 PolarHBondContact O-N 3.46Å; D131-E133 WeakPolarHBondContact OD2-CB 3.5Å; D131-E133 PolarHBondContact OD2-N 3.4Å; D131-E133 VanDerWaalsContact OD2-N 3.08Å; D131-E134 HydrophobicContact CB-CG 4.35Å; D131-E134 PolarHBondContact O-N 3.03Å; D131-E135 PolarHBondContact O-N 3.43Å
132	I	83.3	Confident	82.6	Confident	40 Å²	40	65.7 Å²	65.7	21%	0.205	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-39.7	-179.3	-67.2	173.6	0	0	0	110.5	E135 L136 I183 K186 L187	I132-E135 PolarHBondContact O-N 3.33Å; I132-L136 HydrophobicContact CG2-CD1 3.71Å; I132-L136 HydrophobicContact CG2-CG 4.38Å; I132-L136 WeakPolarHBondContact O-CD1 3.31Å; I132-L136 VanDerWaalsContact O-CG 3.23Å; I132-L136 WeakPolarHBondContact O-CG 3.5Å; I132-L136 PolarHBondContact O-N 3.12Å; I132-I183 HydrophobicContact CG2-CG2 4Å; I132-K186 HydrophobicContact CD1-CD 3.97Å; I132-K186 HydrophobicContact CD1-CG 4.13Å; I132-K186 HydrophobicContact CG1-CD 3.74Å; I132-K186 HydrophobicContact CG1-CG 4.43Å; I132-L187 HydrophobicContact CD1-CD2 3.88Å; I132-L187 HydrophobicContact CD1-CG 4.29Å
133	E	84.3	Confident	82.6	Confident	94 Å²	94	62.3 Å²	62.3	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-67.5	-41.1	-178.3	-172.5	58.2	-146.9	0	0	112.1	D131 E135 L136 Q137	D131-E133 PolarHBondContact O-N 3.46Å; D131-E133 WeakPolarHBondContact OD2-CB 3.5Å; D131-E133 PolarHBondContact OD2-N 3.4Å; D131-E133 VanDerWaalsContact OD2-N 3.08Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 3.49Å; E133-L136 PolarHBondContact O-N 2.76Å; E133-Q137 WeakPolarHBondContact O-CG 3.39Å; E133-Q137 PolarHBondContact O-N 2.82Å
134	E	85.1	Confident	82.7	Confident	106 Å²	106	62.2 Å²	62.2	50%	0.495	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-41.3	175.4	-66.5	179.9	168.2	0	0	111.3	T130 D131 L136 Q137 L138	T130-E134 HydrophobicContact CG2-CB 4.48Å; D131-E134 HydrophobicContact CB-CG 4.35Å; D131-E134 PolarHBondContact O-N 3.03Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.21Å; E134-Q137 WeakPolarHBondContact O-CB 3.48Å; E134-Q137 PolarHBondContact O-N 3.46Å; E134-L138 PolarHBondContact O-N 2.83Å
135	E	87.6	Confident	82.8	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-39.4	177.5	-162	63.2	-137.4	0	0	111.7	W124 T130 D131 I132 E133 L138 C139 K179 I183	W124-E135 PolarHBondContact NE1-OE1 2.85Å; T130-E135 PolarHBondContact OG1-OE2 2.95Å; D131-E135 PolarHBondContact O-N 3.43Å; I132-E135 PolarHBondContact O-N 3.33Å; E133-E135 VanDerWaalsContact C-N 3.34Å; E133-E135 PolarHBondContact O-N 3.49Å; E135-L138 PolarHBondContact O-N 3.32Å; E135-C139 PolarHBondContact O-N 3.2Å; E135-C139 PolarHBondContact O-SG 3.15Å; E135-K179 HydrophobicContact CG-CB 4.36Å; E135-K179 WeakPolarHBondContact OE1-CD 3.43Å; E135-K179 WeakPolarHBondContact OE1-CE 3.43Å; E135-K179 WeakPolarHBondContact OE1-CG 3.4Å; E135-K179 IonicContact OE1-NZ 3.63Å; E135-K179 PolarHBondContact OE1-NZ 3.41Å; E135-K179 IonicContact OE2-NZ 2.61Å; E135-I183 HydrophobicContact CB-CD1 4.26Å; E135-I183 HydrophobicContact CB-CG1 4.45Å; E135-I183 HydrophobicContact CG-CD1 3.99Å; E135-I183 HydrophobicContact CG-CG1 4.15Å
136	L	85.1	Confident	83	Confident	14 Å²	14	58 Å²	58	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-67.9	-34.3	176.1	-72	160.9	0	0	0	112.4	I132 E133 E134 C139 N140 I183 H208	I132-L136 HydrophobicContact CG2-CD1 3.71Å; I132-L136 HydrophobicContact CG2-CG 4.38Å; I132-L136 WeakPolarHBondContact O-CD1 3.31Å; I132-L136 VanDerWaalsContact O-CG 3.23Å; I132-L136 WeakPolarHBondContact O-CG 3.5Å; I132-L136 PolarHBondContact O-N 3.12Å; E133-L136 PolarHBondContact O-N 2.76Å; E134-L136 VanDerWaalsContact C-N 3.32Å; E134-L136 PolarHBondContact O-N 3.21Å; L136-C139 WeakPolarHBondContact O-CB 3.42Å; L136-C139 PolarHBondContact O-N 2.91Å; L136-N140 PolarHBondContact O-N 3.29Å; L136-N140 VanDerWaalsContact O-N 3.08Å; L136-N140 PolarHBondContact O-ND2 2.85Å; L136-N140 VanDerWaalsContact O-ND2 3.11Å; L136-I183 HydrophobicContact CD2-CD1 3.77Å; L136-I183 HydrophobicContact CG-CD1 3.96Å; L136-H208 WeakPolarHBondContact CD1-CE1 3.32Å; L136-H208 WeakPolarHBondContact CD1-NE2 3.26Å
137	Q	86.2	Confident	83.4	Confident	108 Å²	108	55.7 Å²	55.7	51%	0.505	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-43.6	172.5	-70.7	175.7	10.8	0	0	111.5	E133 E134 C139 N140 S141	E133-Q137 WeakPolarHBondContact O-CG 3.39Å; E133-Q137 PolarHBondContact O-N 2.82Å; E134-Q137 WeakPolarHBondContact O-CB 3.48Å; E134-Q137 PolarHBondContact O-N 3.46Å; Q137-C139 VanDerWaalsContact C-N 3.34Å; Q137-C139 PolarHBondContact O-N 3.21Å; Q137-N140 WeakPolarHBondContact O-CB 3.35Å; Q137-N140 PolarHBondContact O-N 2.81Å; Q137-N140 VanDerWaalsContact O-N 3.13Å; Q137-S141 PolarHBondContact O-N 3.42Å; Q137-S141 VanDerWaalsContact O-N 3.08Å
138	L	89.1	Confident	84.4	Confident	59 Å²	59	49.8 Å²	49.8	31%	0.309	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-40.2	174.1	-68.9	171.8	0	0	0	111.9	F120 W124 E134 E135 N140 S141 A142	F120-L138 HydrophobicContact CE2-CD2 4.26Å; W124-L138 HydrophobicContact CZ2-CB 4.18Å; E134-L138 PolarHBondContact O-N 2.83Å; E135-L138 PolarHBondContact O-N 3.32Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 PolarHBondContact O-N 2.97Å; L138-S141 PolarHBondContact O-N 2.93Å; L138-S141 VanDerWaalsContact O-N 3.14Å; L138-A142 PolarHBondContact O-N 3.15Å
139	C	89.3	Confident	85.8	Confident	5 Å²	5	46 Å²	46	3%	0.034	24%	0.235	C	C	.	.	H	α-helix	trans	-55.7	-43.4	171.7	-65.8	0	0	0	0	111.7	E135 L136 Q137 S141 A142 V143 L176	E135-C139 PolarHBondContact O-N 3.2Å; E135-C139 PolarHBondContact O-SG 3.15Å; L136-C139 WeakPolarHBondContact O-CB 3.42Å; L136-C139 PolarHBondContact O-N 2.91Å; Q137-C139 VanDerWaalsContact C-N 3.34Å; Q137-C139 PolarHBondContact O-N 3.21Å; C139-S141 PolarHBondContact O-N 3.24Å; C139-A142 PolarHBondContact O-N 2.97Å; C139-V143 WeakPolarHBondContact O-CG2 3.31Å; C139-V143 PolarHBondContact O-N 3.37Å; C139-L176 HydrophobicContact CB-CD1 3.6Å
140	N	88.5	Confident	86.9	Confident	37 Å²	37	40 Å²	40	20%	0.198	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-39	177.6	-71	-45.7	0	0	0	112.5	L136 Q137 L138 V143 K144 N210	L136-N140 PolarHBondContact O-N 3.29Å; L136-N140 VanDerWaalsContact O-N 3.08Å; L136-N140 PolarHBondContact O-ND2 2.85Å; L136-N140 VanDerWaalsContact O-ND2 3.11Å; Q137-N140 WeakPolarHBondContact O-CB 3.35Å; Q137-N140 PolarHBondContact O-N 2.81Å; Q137-N140 VanDerWaalsContact O-N 3.13Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 PolarHBondContact O-N 2.97Å; N140-V143 PolarHBondContact O-N 2.99Å; N140-K144 PolarHBondContact O-N 2.76Å; N140-N210 PolarHBondContact OD1-ND2 3.25Å
141	S	90.1	Very high	87.8	Confident	18 Å²	18	42.6 Å²	42.6	13%	0.126	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-39.2	174.6	-65.8	0	0	0	0	112	Q137 L138 C139 K144 L145	Q137-S141 PolarHBondContact O-N 3.42Å; Q137-S141 VanDerWaalsContact O-N 3.08Å; L138-S141 PolarHBondContact O-N 2.93Å; L138-S141 VanDerWaalsContact O-N 3.14Å; C139-S141 PolarHBondContact O-N 3.24Å; S141-K144 PolarHBondContact O-N 2.75Å; S141-L145 PolarHBondContact O-N 2.88Å
142	A	91.5	Very high	88	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-41.2	175.7	0	0	0	0	0	112.5	F120 W124 L138 C139 K144 L145 I146 V172 L176	F120-A142 HydrophobicContact CE1-CB 4.29Å; F120-A142 HydrophobicContact CZ-CB 4.26Å; W124-A142 HydrophobicContact CE3-CB 4.34Å; W124-A142 HydrophobicContact CH2-CB 3.42Å; W124-A142 VanDerWaalsContact CH2-CB 3.42Å; W124-A142 HydrophobicContact CZ2-CB 4.46Å; W124-A142 HydrophobicContact CZ3-CB 3.34Å; L138-A142 PolarHBondContact O-N 3.15Å; C139-A142 PolarHBondContact O-N 2.97Å; A142-K144 PolarHBondContact O-N 2.85Å; A142-L145 WeakPolarHBondContact O-CB 3.41Å; A142-L145 PolarHBondContact O-N 3.04Å; A142-I146 VanDerWaalsContact O-CG1 3.31Å; A142-I146 WeakPolarHBondContact O-CG1 3.38Å; A142-I146 PolarHBondContact O-N 3.38Å; A142-V172 HydrophobicContact CB-CG1 3.85Å; A142-L176 HydrophobicContact CB-CD1 4.35Å
143	V	90.7	Very high	88.2	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.03	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-44.1	175	174.6	0	0	0	0	111.3	C139 N140 L145 I146 E147 L176 N210 Y257	C139-V143 WeakPolarHBondContact O-CG2 3.31Å; C139-V143 PolarHBondContact O-N 3.37Å; N140-V143 PolarHBondContact O-N 2.99Å; V143-L145 VanDerWaalsContact C-N 3.3Å; V143-L145 PolarHBondContact O-N 2.86Å; V143-I146 PolarHBondContact O-N 2.92Å; V143-E147 WeakPolarHBondContact O-CG 3.44Å; V143-E147 PolarHBondContact O-N 2.91Å; V143-L176 HydrophobicContact CG2-CD2 3.83Å; V143-N210 WeakPolarHBondContact CB-ND2 3.43Å; V143-N210 HydrophobicContact CG1-CB 4.37Å; V143-N210 HydrophobicContact CG2-CB 4.22Å; V143-Y257 HydrophobicContact CG1-CD1 3.99Å; V143-Y257 HydrophobicContact CG1-CE1 4.2Å; V143-Y257 HydrophobicContact CG1-CG 4.4Å; V143-Y257 HydrophobicContact CG2-CD1 4.15Å; V143-Y257 HydrophobicContact CG2-CE1 3.5Å; V143-Y257 VanDerWaalsContact CG2-CE1 3.5Å; V143-Y257 HydrophobicContact CG2-CE2 4.47Å
144	K	89.8	Confident	88.1	Confident	80 Å²	80	41.6 Å²	41.6	35%	0.348	20%	0.204	S	C	.	.	H	α-helix	trans	-61	-40.1	175.2	-70.1	175.3	174.6	-179.3	0	112	D106 V108 N140 S141 A142 E147 A148	D106-K144 IonicContact OD2-NZ 2.79Å; D106-K144 PolarHBondContact OD2-NZ 2.85Å; V108-K144 HydrophobicContact CG1-CB 4.15Å; V108-K144 HydrophobicContact CG2-CB 4.19Å; V108-K144 HydrophobicContact CG2-CD 3.55Å; N140-K144 PolarHBondContact O-N 2.76Å; S141-K144 PolarHBondContact O-N 2.75Å; A142-K144 PolarHBondContact O-N 2.85Å; K144-E147 PolarHBondContact O-N 3.01Å; K144-A148 PolarHBondContact O-N 2.81Å
145	L	91.8	Very high	88.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.1	-43.1	176.5	178.9	59.3	0	0	0	111.6	V108 P109 A111 V117 F120 S141 A142 V143 E147 A148 L149 V172	V108-L145 HydrophobicContact CG1-CB 4.27Å; P109-L145 HydrophobicContact CG-CD1 3.96Å; P109-L145 HydrophobicContact CG-CD2 3.55Å; P109-L145 HydrophobicContact CG-CG 4.25Å; A111-L145 HydrophobicContact CB-CD1 3.94Å; V117-L145 HydrophobicContact CG1-CD2 4.41Å; V117-L145 HydrophobicContact CG2-CD1 4.19Å; F120-L145 HydrophobicContact CD1-CD2 3.97Å; F120-L145 HydrophobicContact CE1-CD2 4.21Å; S141-L145 PolarHBondContact O-N 2.88Å; A142-L145 WeakPolarHBondContact O-CB 3.41Å; A142-L145 PolarHBondContact O-N 3.04Å; V143-L145 VanDerWaalsContact C-N 3.3Å; V143-L145 PolarHBondContact O-N 2.86Å; L145-E147 VanDerWaalsContact C-N 3.34Å; L145-E147 PolarHBondContact O-N 3.45Å; L145-A148 PolarHBondContact O-N 2.81Å; L145-L149 HydrophobicContact CD1-CD1 4.26Å; L145-L149 HydrophobicContact CD1-CG 4.25Å; L145-L149 HydrophobicContact CG-CD1 4.01Å; L145-L149 HydrophobicContact CG-CG 4.46Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 3.26Å; L145-V172 HydrophobicContact CD2-CG1 4.41Å; L145-V172 HydrophobicContact CD2-CG2 3.92Å
146	I	90.2	Very high	88	Confident	15 Å²	15	44.4 Å²	44.4	8%	0.077	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-44.9	174.9	-70.4	161	0	0	0	110.7	A142 V143 A148 L149 D150 L169 V172 Q173 L176	A142-I146 VanDerWaalsContact O-CG1 3.31Å; A142-I146 WeakPolarHBondContact O-CG1 3.38Å; A142-I146 PolarHBondContact O-N 3.38Å; V143-I146 PolarHBondContact O-N 2.92Å; I146-A148 VanDerWaalsContact C-N 3.33Å; I146-A148 PolarHBondContact O-N 2.95Å; I146-L149 PolarHBondContact O-N 2.98Å; I146-D150 WeakPolarHBondContact O-CB 3.39Å; I146-D150 PolarHBondContact O-N 3.24Å; I146-L169 HydrophobicContact CG2-CD1 4.27Å; I146-L169 HydrophobicContact CG2-CG 4.25Å; I146-V172 HydrophobicContact CD1-CG1 3.93Å; I146-V172 HydrophobicContact CG1-CB 4.24Å; I146-V172 HydrophobicContact CG1-CG1 3.76Å; I146-Q173 HydrophobicContact CD1-CG 3.61Å; I146-Q173 HydrophobicContact CG1-CG 4.14Å; I146-L176 HydrophobicContact CD1-CD2 3.78Å
147	E	87.9	Confident	88	Confident	71 Å²	71	53.7 Å²	53.7	33%	0.332	26%	0.262	S	S	.	.	H	α-helix	trans	-61	-41.4	176.7	-70	-170.2	138.3	0	0	112.1	V143 K144 L145 E151 K556	V143-E147 WeakPolarHBondContact O-CG 3.44Å; V143-E147 PolarHBondContact O-N 2.91Å; K144-E147 PolarHBondContact O-N 3.01Å; L145-E147 VanDerWaalsContact C-N 3.34Å; L145-E147 PolarHBondContact O-N 3.45Å; E147-E151 WeakPolarHBondContact O-CG 3.3Å; E147-E151 PolarHBondContact O-N 3.43Å; E147-E151 VanDerWaalsContact O-N 3.11Å; E147-K556 IonicContact OE1-NZ 2.63Å; E147-K556 PolarHBondContact OE1-NZ 2.87Å
148	A	89.6	Confident	87.9	Confident	27 Å²	27	51.9 Å²	51.9	22%	0.223	26%	0.256	C	S	.	.	H	α-helix	trans	-68.1	-39.2	177.5	0	0	0	0	0	112.6	A111 K144 L145 I146 E151 L152	A111-A148 HydrophobicContact CB-CB 3.77Å; K144-A148 PolarHBondContact O-N 2.81Å; L145-A148 PolarHBondContact O-N 2.81Å; I146-A148 VanDerWaalsContact C-N 3.33Å; I146-A148 PolarHBondContact O-N 2.95Å; A148-E151 PolarHBondContact O-N 2.74Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.27Å
149	L	90.3	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-42	175.7	-72.9	167.6	0	0	0	111.7	A111 L145 I146 E151 L152 M153 Y165 A168 L169	A111-L149 HydrophobicContact CB-CD2 4.02Å; A111-L149 HydrophobicContact CB-CG 4.18Å; L145-L149 HydrophobicContact CD1-CD1 4.26Å; L145-L149 HydrophobicContact CD1-CG 4.25Å; L145-L149 HydrophobicContact CG-CD1 4.01Å; L145-L149 HydrophobicContact CG-CG 4.46Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 3.26Å; I146-L149 PolarHBondContact O-N 2.98Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-E151 PolarHBondContact O-N 3.33Å; L149-L152 PolarHBondContact O-N 2.81Å; L149-M153 VanDerWaalsContact O-CG 3.29Å; L149-M153 WeakPolarHBondContact O-CG 3.11Å; L149-M153 PolarHBondContact O-N 3.31Å; L149-Y165 HydrophobicContact CD2-CD1 3.93Å; L149-Y165 HydrophobicContact CD2-CG 4.48Å; L149-A168 HydrophobicContact CD1-CB 4.18Å; L149-A168 HydrophobicContact CD2-CB 4.41Å; L149-L169 HydrophobicContact CB-CB 4.29Å; L149-L169 HydrophobicContact CB-CD1 4.26Å; L149-L169 HydrophobicContact CD1-CB 4.2Å
150	D	86.1	Confident	87.6	Confident	42 Å²	42	60.4 Å²	60.4	23%	0.225	30%	0.302	C	S	.	.	H	α-helix	trans	-63.4	-37.8	175.8	178.3	58.7	0	0	0	112.1	I146 M153 K154 L169	I146-D150 WeakPolarHBondContact O-CB 3.39Å; I146-D150 PolarHBondContact O-N 3.24Å; D150-M153 PolarHBondContact O-N 3.35Å; D150-K154 WeakPolarHBondContact O-CG 3.44Å; D150-K154 PolarHBondContact O-N 2.77Å; D150-K154 IonicContact OD1-NZ 3.15Å; D150-K154 PolarHBondContact OD1-NZ 3.15Å; D150-K154 WeakPolarHBondContact OD2-CE 2.92Å; D150-K154 IonicContact OD2-NZ 3.74Å; D150-K154 PolarHBondContact OD2-NZ 3.05Å; D150-L169 HydrophobicContact CB-CD1 4.16Å
151	E	84.7	Confident	87.5	Confident	82 Å²	82	61.1 Å²	61.1	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-48.3	172.7	-75.5	178.6	173.4	0	0	111.8	E147 A148 L149 M153 K154 E155 K552	E147-E151 WeakPolarHBondContact O-CG 3.3Å; E147-E151 PolarHBondContact O-N 3.43Å; E147-E151 VanDerWaalsContact O-N 3.11Å; A148-E151 PolarHBondContact O-N 2.74Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-E151 PolarHBondContact O-N 3.33Å; E151-M153 VanDerWaalsContact C-N 3.26Å; E151-M153 PolarHBondContact O-N 2.94Å; E151-K154 PolarHBondContact O-N 2.84Å; E151-E155 WeakPolarHBondContact O-CG 3.38Å; E151-E155 PolarHBondContact O-N 3.46Å; E151-K552 IonicContact OE1-NZ 3.92Å; E151-K552 PolarHBondContact OE1-NZ 3.22Å
152	L	87.8	Confident	87.3	Confident	22 Å²	22	62.7 Å²	62.7	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-36.8	177.2	-71.9	177.7	0	0	0	112.4	A111 K112 A148 L149 K154 E155 A156 Y165	A111-L152 HydrophobicContact CB-CD1 3.55Å; K112-L152 HydrophobicContact CD-CD2 4.45Å; K112-L152 HydrophobicContact CG-CD1 3.81Å; K112-L152 HydrophobicContact CG-CD2 3.92Å; A148-L152 WeakPolarHBondContact O-CG 3.41Å; A148-L152 PolarHBondContact O-N 3.27Å; L149-L152 PolarHBondContact O-N 2.81Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.38Å; L152-E155 PolarHBondContact O-N 3.25Å; L152-A156 VanDerWaalsContact O-CB 3.28Å; L152-A156 WeakPolarHBondContact O-CB 3.28Å; L152-A156 PolarHBondContact O-N 3.37Å; L152-Y165 HydrophobicContact CB-CD2 4.02Å; L152-Y165 HydrophobicContact CB-CE2 3.97Å; L152-Y165 HydrophobicContact CB-CG 4.38Å; L152-Y165 HydrophobicContact CD1-CD1 4.42Å; L152-Y165 HydrophobicContact CD1-CE1 4.01Å
153	M	86.9	Confident	87.1	Confident	28 Å²	28	65.9 Å²	65.9	14%	0.138	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-38.5	175.1	-75.3	174.1	58.1	0	0	112.5	L149 D150 E151 Y165 H166 L169	L149-M153 VanDerWaalsContact O-CG 3.29Å; L149-M153 WeakPolarHBondContact O-CG 3.11Å; L149-M153 PolarHBondContact O-N 3.31Å; D150-M153 PolarHBondContact O-N 3.35Å; E151-M153 VanDerWaalsContact C-N 3.26Å; E151-M153 PolarHBondContact O-N 2.94Å; M153-Y165 HydrophobicContact CG-CD2 4.42Å; M153-Y165 HydrophobicContact CG-CG 4.43Å; M153-H166 HydrophobicContact CE-CB 4.02Å; M153-H166 HydrophobicContact SD-CB 4.18Å; M153-L169 HydrophobicContact SD-CD1 4.13Å
154	K	82.6	Confident	86.9	Confident	153 Å²	153	70.7 Å²	70.7	67%	0.665	36%	0.356	S	S	*	.	H	α-helix	trans	-74.1	-31.5	178.5	-70.1	164.6	-178.6	163.5	0	112.5	D150 E151 L152	D150-K154 WeakPolarHBondContact O-CG 3.44Å; D150-K154 PolarHBondContact O-N 2.77Å; D150-K154 IonicContact OD1-NZ 3.15Å; D150-K154 PolarHBondContact OD1-NZ 3.15Å; D150-K154 WeakPolarHBondContact OD2-CE 2.92Å; D150-K154 IonicContact OD2-NZ 3.74Å; D150-K154 PolarHBondContact OD2-NZ 3.05Å; E151-K154 PolarHBondContact O-N 2.84Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 3.38Å
155	E	84.3	Confident	86.9	Confident	138 Å²	138	68.1 Å²	68.1	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-90.3	-12.9	-178.8	-66.9	-179.4	179.5	0	0	113.9	E151 L152 K157	E151-E155 WeakPolarHBondContact O-CG 3.38Å; E151-E155 PolarHBondContact O-N 3.46Å; L152-E155 PolarHBondContact O-N 3.25Å; E155-K157 PolarHBondContact O-N 3.39Å
156	A	84.9	Confident	86.6	Confident	29 Å²	29	69.8 Å²	69.8	24%	0.24	35%	0.352	C	S	.	.			trans	-59.4	112.4	-175.7	0	0	0	0	0	111.4	L152 V162	L152-A156 VanDerWaalsContact O-CB 3.28Å; L152-A156 WeakPolarHBondContact O-CB 3.28Å; L152-A156 PolarHBondContact O-N 3.37Å; A156-V162 HydrophobicContact CB-CG2 3.63Å
157	K	84.9	Confident	86.5	Confident	208 Å²	208	74 Å²	74	90%	0.904	37%	0.374	S	S	*	.	S	Bend	trans	-77.5	-26.6	172	-62.5	-177.4	-178.2	178.3	0	112.5	E155 P159	E155-K157 PolarHBondContact O-N 3.39Å; K157-P159 WeakPolarHBondContact O-CD 3.44Å
158	D	85.6	Confident	86.7	Confident	70 Å²	70	70.7 Å²	70.7	37%	0.374	36%	0.359	S	S	.	.	S	Bend	trans	-93.7	112.5	178.3	-178.5	-0.8	0	0	0	109.8	E160 L161	D158-E160 PolarHBondContact O-N 3.4Å; D158-E160 VanDerWaalsContact O-N 3.14Å; D158-E160 WeakPolarHBondContact OD1-CB 3.46Å; D158-E160 PolarHBondContact OD1-N 3.5Å; D158-L161 HydrophobicContact CB-CD1 4.05Å; D158-L161 HydrophobicContact CB-CG 4.08Å; D158-L161 PolarHBondContact O-N 3.39Å; D158-L161 VanDerWaalsContact O-N 3.14Å
159	P	85.1	Confident	86.7	Confident	103 Å²	103	69.4 Å²	69.4	67%	0.669	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.5	178.8	-24	35.1	0	0	0	114.2	K157 L161 P163	K157-P159 WeakPolarHBondContact O-CD 3.44Å; P159-L161 VanDerWaalsContact C-N 3.32Å; P159-P163 WeakPolarHBondContact O-CD 3.32Å
160	E	87.1	Confident	86.6	Confident	140 Å²	140	71.7 Å²	71.7	65%	0.654	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-18.6	179.4	-64	-167.7	173.3	0	0	113.6	D158	D158-E160 PolarHBondContact O-N 3.4Å; D158-E160 VanDerWaalsContact O-N 3.14Å; D158-E160 WeakPolarHBondContact OD1-CB 3.46Å; D158-E160 PolarHBondContact OD1-N 3.5Å
161	L	85.8	Confident	86.8	Confident	53 Å²	53	72.5 Å²	72.5	28%	0.277	36%	0.363	S	S	.	.	H	α-helix	trans	-81.9	-29.2	177.3	-66.2	179.8	0	0	0	112.4	D158 P159 K164 Y165	D158-L161 HydrophobicContact CB-CD1 4.05Å; D158-L161 HydrophobicContact CB-CG 4.08Å; D158-L161 PolarHBondContact O-N 3.39Å; D158-L161 VanDerWaalsContact O-N 3.14Å; P159-L161 VanDerWaalsContact C-N 3.32Å; L161-K164 HydrophobicContact CD2-CD 4.23Å; L161-K164 WeakPolarHBondContact O-CB 3.44Å; L161-K164 PolarHBondContact O-N 3.26Å; L161-Y165 HydrophobicContact CB-CD2 4.24Å; L161-Y165 HydrophobicContact CB-CE2 3.71Å; L161-Y165 HydrophobicContact CD1-CE2 4.44Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3.47Å; L161-Y165 VanDerWaalsContact O-N 3.1Å
162	V	85.7	Confident	87.2	Confident	50 Å²	50	68.6 Å²	68.6	30%	0.303	35%	0.345	S	S	.	.	H	α-helix	trans	-56.1	-48.2	-177.7	177.8	0	0	0	0	111.9	A156 K164 Y165 H166	A156-V162 HydrophobicContact CB-CG2 3.63Å; V162-K164 VanDerWaalsContact C-N 3.29Å; V162-K164 PolarHBondContact O-N 3.03Å; V162-Y165 PolarHBondContact O-N 2.96Å; V162-H166 WeakPolarHBondContact O-CB 3.34Å; V162-H166 PolarHBondContact O-N 2.9Å
163	P	86.9	Confident	87.2	Confident	68 Å²	68	68.2 Å²	68.2	44%	0.442	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-34	176	-24	34.7	0	0	0	113.7	P159 H166 D167	P159-P163 WeakPolarHBondContact O-CD 3.32Å; P163-H166 WeakPolarHBondContact O-CB 3.49Å; P163-H166 PolarHBondContact O-N 3.13Å; P163-D167 VanDerWaalsContact O-CG 3.27Å; P163-D167 PolarHBondContact O-N 3.49Å
164	K	87.6	Confident	87.3	Confident	105 Å²	105	73 Å²	73	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-69.5	-47.3	-178.6	-63.7	174.2	-174.9	160.9	0	111.7	L161 V162 H166 D167 A168	L161-K164 HydrophobicContact CD2-CD 4.23Å; L161-K164 WeakPolarHBondContact O-CB 3.44Å; L161-K164 PolarHBondContact O-N 3.26Å; V162-K164 VanDerWaalsContact C-N 3.29Å; V162-K164 PolarHBondContact O-N 3.03Å; K164-H166 PolarHBondContact O-N 3.42Å; K164-D167 PolarHBondContact O-N 3.11Å; K164-A168 WeakPolarHBondContact O-CB 3.46Å; K164-A168 PolarHBondContact O-N 3.37Å; K164-A168 VanDerWaalsContact O-N 3.12Å
165	Y	89.8	Confident	87.7	Confident	26 Å²	26	66.1 Å²	66.1	10%	0.102	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-35.5	174.5	-61.2	-42.9	0	0	0	111.1	L149 L152 M153 L161 V162 L169	L149-Y165 HydrophobicContact CD2-CD1 3.93Å; L149-Y165 HydrophobicContact CD2-CG 4.48Å; L152-Y165 HydrophobicContact CB-CD2 4.02Å; L152-Y165 HydrophobicContact CB-CE2 3.97Å; L152-Y165 HydrophobicContact CB-CG 4.38Å; L152-Y165 HydrophobicContact CD1-CD1 4.42Å; L152-Y165 HydrophobicContact CD1-CE1 4.01Å; M153-Y165 HydrophobicContact CG-CD2 4.42Å; M153-Y165 HydrophobicContact CG-CG 4.43Å; L161-Y165 HydrophobicContact CB-CD2 4.24Å; L161-Y165 HydrophobicContact CB-CE2 3.71Å; L161-Y165 HydrophobicContact CD1-CE2 4.44Å; L161-Y165 WeakPolarHBondContact O-CD2 3.38Å; L161-Y165 PolarHBondContact O-N 3.47Å; L161-Y165 VanDerWaalsContact O-N 3.1Å; V162-Y165 PolarHBondContact O-N 2.96Å; Y165-L169 VanDerWaalsContact O-CB 3.25Å; Y165-L169 WeakPolarHBondContact O-CB 3.35Å; Y165-L169 PolarHBondContact O-N 3.17Å
166	H	85.6	Confident	88	Confident	35 Å²	35	59.8 Å²	59.8	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-51.4	176.7	179.2	47.7	0	0	0	112.9	M153 V162 P163 K164 A168 L169 I170 L266	M153-H166 HydrophobicContact CE-CB 4.02Å; M153-H166 HydrophobicContact SD-CB 4.18Å; V162-H166 WeakPolarHBondContact O-CB 3.34Å; V162-H166 PolarHBondContact O-N 2.9Å; P163-H166 WeakPolarHBondContact O-CB 3.49Å; P163-H166 PolarHBondContact O-N 3.13Å; K164-H166 PolarHBondContact O-N 3.42Å; H166-A168 VanDerWaalsContact C-N 3.31Å; H166-A168 PolarHBondContact O-N 3.07Å; H166-L169 WeakPolarHBondContact O-CB 3.45Å; H166-L169 PolarHBondContact O-N 2.94Å; H166-L169 VanDerWaalsContact O-N 3.13Å; H166-I170 WeakPolarHBondContact CE1-CD1 3.36Å; H166-I170 WeakPolarHBondContact NE2-CD1 3.26Å; H166-I170 PolarHBondContact O-N 3.45Å; H166-L266 WeakPolarHBondContact CE1-CD1 3.37Å
167	D	88.4	Confident	88.2	Confident	103 Å²	103	61.2 Å²	61.2	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-60	-43.6	178.6	-70.8	-17.5	0	0	0	111	P163 K164 L169 I170 E171	P163-D167 VanDerWaalsContact O-CG 3.27Å; P163-D167 PolarHBondContact O-N 3.49Å; K164-D167 PolarHBondContact O-N 3.11Å; D167-L169 VanDerWaalsContact C-N 3.33Å; D167-L169 PolarHBondContact O-N 3.34Å; D167-I170 PolarHBondContact O-N 2.94Å; D167-E171 WeakPolarHBondContact O-CB 3.43Å; D167-E171 PolarHBondContact O-N 2.9Å
168	A	90.8	Very high	88.4	Confident	2 Å²	2	53.8 Å²	53.8	2%	0.017	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-40.8	175.5	0	0	0	0	0	112.2	V117 L149 K164 H166 E171 V172	V117-A168 HydrophobicContact CG1-CB 4.09Å; L149-A168 HydrophobicContact CD1-CB 4.18Å; L149-A168 HydrophobicContact CD2-CB 4.41Å; K164-A168 WeakPolarHBondContact O-CB 3.46Å; K164-A168 PolarHBondContact O-N 3.37Å; K164-A168 VanDerWaalsContact O-N 3.12Å; H166-A168 VanDerWaalsContact C-N 3.31Å; H166-A168 PolarHBondContact O-N 3.07Å; A168-E171 PolarHBondContact O-N 2.7Å; A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 3.09Å
169	L	90.4	Very high	88.6	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-45.8	178.2	178.8	154.4	0	0	0	111.3	I146 L149 D150 M153 Y165 H166 D167 V172 Q173 I262	I146-L169 HydrophobicContact CG2-CD1 4.27Å; I146-L169 HydrophobicContact CG2-CG 4.25Å; L149-L169 HydrophobicContact CB-CB 4.29Å; L149-L169 HydrophobicContact CB-CD1 4.26Å; L149-L169 HydrophobicContact CD1-CB 4.2Å; D150-L169 HydrophobicContact CB-CD1 4.16Å; M153-L169 HydrophobicContact SD-CD1 4.13Å; Y165-L169 VanDerWaalsContact O-CB 3.25Å; Y165-L169 WeakPolarHBondContact O-CB 3.35Å; Y165-L169 PolarHBondContact O-N 3.17Å; H166-L169 WeakPolarHBondContact O-CB 3.45Å; H166-L169 PolarHBondContact O-N 2.94Å; H166-L169 VanDerWaalsContact O-N 3.13Å; D167-L169 VanDerWaalsContact C-N 3.33Å; D167-L169 PolarHBondContact O-N 3.34Å; L169-V172 PolarHBondContact O-N 3.43Å; L169-Q173 VanDerWaalsContact CD2-CD 3.5Å; L169-Q173 HydrophobicContact CD2-CG 4.35Å; L169-Q173 VanDerWaalsContact CD2-NE2 3.3Å; L169-Q173 WeakPolarHBondContact O-CB 3.49Å; L169-Q173 VanDerWaalsContact O-CG 3.28Å; L169-Q173 WeakPolarHBondContact O-CG 3.36Å; L169-Q173 PolarHBondContact O-N 3Å; L169-I262 HydrophobicContact CD1-CD1 4.17Å; L169-I262 HydrophobicContact CD2-CD1 4.33Å
170	I	88.3	Confident	88.8	Confident	47 Å²	47	46.8 Å²	46.8	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-48.8	175.2	-70.9	-179.6	0	0	0	110	H166 D167 V172 Q173 E174 L263	H166-I170 WeakPolarHBondContact CE1-CD1 3.36Å; H166-I170 WeakPolarHBondContact NE2-CD1 3.26Å; H166-I170 PolarHBondContact O-N 3.45Å; D167-I170 PolarHBondContact O-N 2.94Å; I170-V172 VanDerWaalsContact C-N 3.34Å; I170-V172 PolarHBondContact O-N 3.02Å; I170-Q173 WeakPolarHBondContact O-CB 3.21Å; I170-Q173 PolarHBondContact O-N 3.4Å; I170-Q173 VanDerWaalsContact O-N 3.12Å; I170-E174 HydrophobicContact CG2-CG 4.25Å; I170-E174 WeakPolarHBondContact O-CG 3.48Å; I170-E174 PolarHBondContact O-N 2.61Å; I170-L263 HydrophobicContact CD1-CD2 4.34Å; I170-L263 HydrophobicContact CG1-CD2 4.12Å
171	E	90.4	Very high	88.9	Confident	59 Å²	59	42.5 Å²	42.5	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-60.4	-43.5	-176.7	-173	174.4	-157.6	0	0	111.9	V121 K125 D167 A168 E174 I175	V121-E171 HydrophobicContact CG1-CG 3.78Å; V121-E171 WeakPolarHBondContact CG1-OE1 3.39Å; K125-E171 IonicContact NZ-OE1 2.62Å; K125-E171 PolarHBondContact NZ-OE1 3.01Å; D167-E171 WeakPolarHBondContact O-CB 3.43Å; D167-E171 PolarHBondContact O-N 2.9Å; A168-E171 PolarHBondContact O-N 2.7Å; E171-E174 PolarHBondContact O-N 3.45Å; E171-I175 HydrophobicContact CG-CD1 4.44Å; E171-I175 WeakPolarHBondContact O-CD1 3.33Å; E171-I175 VanDerWaalsContact O-CG1 3.29Å; E171-I175 WeakPolarHBondContact O-CG1 3.26Å; E171-I175 PolarHBondContact O-N 3.18Å; E171-I175 VanDerWaalsContact O-N 3.13Å
172	V	91.9	Very high	89.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.4	-38.8	176.4	177	0	0	0	0	111.2	V121 A142 L145 I146 A168 L169 I170 L176	V121-V172 HydrophobicContact CG2-CG2 3.73Å; A142-V172 HydrophobicContact CB-CG1 3.85Å; L145-V172 HydrophobicContact CD2-CG1 4.41Å; L145-V172 HydrophobicContact CD2-CG2 3.92Å; I146-V172 HydrophobicContact CD1-CG1 3.93Å; I146-V172 HydrophobicContact CG1-CB 4.24Å; I146-V172 HydrophobicContact CG1-CG1 3.76Å; A168-V172 WeakPolarHBondContact O-CG2 3.31Å; A168-V172 PolarHBondContact O-N 3.09Å; L169-V172 PolarHBondContact O-N 3.43Å; I170-V172 VanDerWaalsContact C-N 3.34Å; I170-V172 PolarHBondContact O-N 3.02Å; V172-L176 VanDerWaalsContact O-CB 3.24Å; V172-L176 WeakPolarHBondContact O-CB 3.44Å; V172-L176 PolarHBondContact O-N 3.19Å
173	Q	89.4	Confident	89.2	Confident	15 Å²	15	40.6 Å²	40.6	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-41.3	176.5	-76.7	177.6	-7.4	0	0	112.7	I146 L169 I170 L176 H177 H259	I146-Q173 HydrophobicContact CD1-CG 3.61Å; I146-Q173 HydrophobicContact CG1-CG 4.14Å; L169-Q173 VanDerWaalsContact CD2-CD 3.5Å; L169-Q173 HydrophobicContact CD2-CG 4.35Å; L169-Q173 VanDerWaalsContact CD2-NE2 3.3Å; L169-Q173 WeakPolarHBondContact O-CB 3.49Å; L169-Q173 VanDerWaalsContact O-CG 3.28Å; L169-Q173 WeakPolarHBondContact O-CG 3.36Å; L169-Q173 PolarHBondContact O-N 3Å; I170-Q173 WeakPolarHBondContact O-CB 3.21Å; I170-Q173 PolarHBondContact O-N 3.4Å; I170-Q173 VanDerWaalsContact O-N 3.12Å; Q173-L176 PolarHBondContact O-N 3.16Å; Q173-H177 PolarHBondContact O-N 2.69Å; Q173-H259 HydrophobicContact CG-CB 4.3Å; Q173-H259 VanDerWaalsContact NE2-CB 3.33Å
174	E	88.6	Confident	89.5	Confident	129 Å²	129	37.3 Å²	37.3	60%	0.603	19%	0.186	S	C	*	.	H	α-helix	trans	-63.5	-45.2	177.2	-73	-178.3	165.4	0	0	111.5	I170 E171 H177 A178	I170-E174 HydrophobicContact CG2-CG 4.25Å; I170-E174 WeakPolarHBondContact O-CG 3.48Å; I170-E174 PolarHBondContact O-N 2.61Å; E171-E174 PolarHBondContact O-N 3.45Å; E174-H177 PolarHBondContact O-N 3.19Å; E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 3.13Å
175	I	90.9	Very high	89.7	Confident	8 Å²	8	33.7 Å²	33.7	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-49.1	174.7	-60.1	159.5	0	0	0	109.9	V121 W124 K125 E171 H177 A178 K179	V121-I175 HydrophobicContact CB-CD1 4.12Å; V121-I175 HydrophobicContact CG1-CD1 3.7Å; V121-I175 HydrophobicContact CG2-CD1 4.11Å; W124-I175 HydrophobicContact CD2-CG2 3.63Å; W124-I175 HydrophobicContact CE3-CB 4.03Å; W124-I175 HydrophobicContact CE3-CD1 4.4Å; W124-I175 HydrophobicContact CE3-CG2 3.35Å; W124-I175 HydrophobicContact CG-CG2 4.21Å; W124-I175 HydrophobicContact CH2-CG2 4.2Å; W124-I175 HydrophobicContact CZ2-CG2 4.45Å; W124-I175 HydrophobicContact CZ3-CB 4.01Å; W124-I175 HydrophobicContact CZ3-CG2 3.64Å; K125-I175 HydrophobicContact CD-CD1 4.01Å; K125-I175 HydrophobicContact CD-CG1 4.08Å; K125-I175 VanDerWaalsContact CE-CD1 3.5Å; K125-I175 HydrophobicContact CG-CD1 3.72Å; K125-I175 HydrophobicContact CG-CG1 3.64Å; E171-I175 HydrophobicContact CG-CD1 4.44Å; E171-I175 WeakPolarHBondContact O-CD1 3.33Å; E171-I175 VanDerWaalsContact O-CG1 3.29Å; E171-I175 WeakPolarHBondContact O-CG1 3.26Å; E171-I175 PolarHBondContact O-N 3.18Å; E171-I175 VanDerWaalsContact O-N 3.13Å; I175-H177 VanDerWaalsContact C-N 3.29Å; I175-H177 PolarHBondContact O-N 3.07Å; I175-A178 CarbonylContact O-C 3.59Å; I175-A178 WeakPolarHBondContact O-CA 3.22Å; I175-A178 WeakPolarHBondContact O-CB 3.49Å; I175-A178 PolarHBondContact O-N 3.09Å; I175-K179 HydrophobicContact CG2-CG 4.01Å; I175-K179 WeakPolarHBondContact O-CG 3.19Å; I175-K179 PolarHBondContact O-N 2.95Å
176	L	90.6	Very high	89.6	Confident	4 Å²	4	36.4 Å²	36.4	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-56.3	-44.2	-179.1	178.5	61.2	0	0	0	111.8	W124 C139 A142 V143 I146 V172 Q173 K179 H180 Y257	W124-L176 HydrophobicContact CH2-CB 3.96Å; W124-L176 HydrophobicContact CH2-CD1 3.85Å; W124-L176 HydrophobicContact CZ3-CB 4.35Å; C139-L176 HydrophobicContact CB-CD1 3.6Å; A142-L176 HydrophobicContact CB-CD1 4.35Å; V143-L176 HydrophobicContact CG2-CD2 3.83Å; I146-L176 HydrophobicContact CD1-CD2 3.78Å; V172-L176 VanDerWaalsContact O-CB 3.24Å; V172-L176 WeakPolarHBondContact O-CB 3.44Å; V172-L176 PolarHBondContact O-N 3.19Å; Q173-L176 PolarHBondContact O-N 3.16Å; L176-K179 PolarHBondContact O-N 3.15Å; L176-H180 PolarHBondContact O-CD2 3.44Å; L176-H180 PolarHBondContact O-N 3.28Å; L176-Y257 HydrophobicContact CD2-CE2 4.42Å; L176-Y257 WeakPolarHBondContact CD2-OH 3.42Å
177	H	88.2	Confident	89.9	Confident	59 Å²	59	36.3 Å²	36.3	27%	0.273	18%	0.183	S	C	.	.	H	α-helix	trans	-62.8	-44.6	174.9	-175.6	71	0	0	0	112.2	Q173 E174 I175 K179 H180 L181 Y371	Q173-H177 PolarHBondContact O-N 2.69Å; E174-H177 PolarHBondContact O-N 3.19Å; I175-H177 VanDerWaalsContact C-N 3.29Å; I175-H177 PolarHBondContact O-N 3.07Å; H177-K179 VanDerWaalsContact C-N 3.31Å; H177-K179 PolarHBondContact O-N 3.11Å; H177-H180 PolarHBondContact O-N 3.14Å; H177-L181 WeakPolarHBondContact NE2-CD1 3.43Å; H177-L181 PolarHBondContact O-N 3.34Å; H177-Y371 AromaticContact CE1-CD1 3.83Å; H177-Y371 AromaticContact CE1-CE1 3.33Å; H177-Y371 WeakPolarHBondContact CE1-CE1 3.44Å; H177-Y371 AromaticContact CE1-CZ 3.92Å; H177-Y371 AromaticContact ND1-CE1 3.71Å; H177-Y371 AromaticContact ND1-CZ 3.82Å
178	A	89	Confident	90.2	Very high	52 Å²	52	31.4 Å²	31.4	43%	0.43	16%	0.157	S	C	.	.	H	α-helix	trans	-61.6	-37.6	176.9	0	0	0	0	0	112.3	E174 I175 L181 F182	E174-A178 WeakPolarHBondContact O-CB 3.28Å; E174-A178 PolarHBondContact O-N 3.13Å; I175-A178 CarbonylContact O-C 3.59Å; I175-A178 WeakPolarHBondContact O-CA 3.22Å; I175-A178 WeakPolarHBondContact O-CB 3.49Å; I175-A178 PolarHBondContact O-N 3.09Å; A178-L181 WeakPolarHBondContact O-CB 3.47Å; A178-L181 PolarHBondContact O-N 3.23Å; A178-F182 WeakPolarHBondContact O-CB 3.47Å; A178-F182 PolarHBondContact O-N 3.1Å
179	K	89.8	Confident	90.2	Very high	18 Å²	18	33.2 Å²	33.2	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-70.4	-37.3	177.2	-65	-55.1	-162.8	147.6	0	112.7	W124 Y127 E135 I175 L176 H177 L181 F182 I183	W124-K179 HydrophobicContact CH2-CG 4.41Å; W124-K179 HydrophobicContact CZ2-CB 4.08Å; W124-K179 HydrophobicContact CZ2-CG 3.68Å; W124-K179 WeakPolarHBondContact O-CE 3.49Å; W124-K179 PolarHBondContact O-NZ 3.14Å; Y127-K179 PolarHBondContact O-NZ 3.13Å; E135-K179 HydrophobicContact CG-CB 4.36Å; E135-K179 WeakPolarHBondContact OE1-CD 3.43Å; E135-K179 WeakPolarHBondContact OE1-CE 3.43Å; E135-K179 WeakPolarHBondContact OE1-CG 3.4Å; E135-K179 IonicContact OE1-NZ 3.63Å; E135-K179 PolarHBondContact OE1-NZ 3.41Å; E135-K179 IonicContact OE2-NZ 2.61Å; I175-K179 HydrophobicContact CG2-CG 4.01Å; I175-K179 WeakPolarHBondContact O-CG 3.19Å; I175-K179 PolarHBondContact O-N 2.95Å; L176-K179 PolarHBondContact O-N 3.15Å; H177-K179 VanDerWaalsContact C-N 3.31Å; H177-K179 PolarHBondContact O-N 3.11Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-L181 PolarHBondContact O-N 2.88Å; K179-F182 WeakPolarHBondContact O-CB 3.3Å; K179-F182 PolarHBondContact O-N 2.75Å; K179-I183 WeakPolarHBondContact O-CG1 3.24Å; K179-I183 PolarHBondContact O-N 2.89Å
180	H	89.9	Confident	90.1	Very high	8 Å²	8	34 Å²	34	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-62.5	-40.1	170.7	-71.3	-34.6	0	0	0	112.7	L176 H177 I183 A184 L253	L176-H180 PolarHBondContact O-CD2 3.44Å; L176-H180 PolarHBondContact O-N 3.28Å; H177-H180 PolarHBondContact O-N 3.14Å; H180-I183 PolarHBondContact O-N 3.21Å; H180-A184 PolarHBondContact O-N 3.25Å; H180-A184 VanDerWaalsContact O-N 3.08Å; H180-L253 HydrophobicContact CB-CD1 4.47Å; H180-L253 HydrophobicContact CB-CD2 3.91Å
181	L	89.9	Confident	90.3	Very high	51 Å²	51	31.7 Å²	31.7	27%	0.267	16%	0.161	S	C	.	.	H	α-helix	trans	-62	-44.8	172.5	-85.4	163.9	0	0	0	111.8	H177 A178 K179 I183 A184 E185 L396	H177-L181 WeakPolarHBondContact NE2-CD1 3.43Å; H177-L181 PolarHBondContact O-N 3.34Å; A178-L181 WeakPolarHBondContact O-CB 3.47Å; A178-L181 PolarHBondContact O-N 3.23Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-L181 PolarHBondContact O-N 2.88Å; L181-I183 PolarHBondContact O-N 3.11Å; L181-A184 PolarHBondContact O-N 3.16Å; L181-E185 WeakPolarHBondContact O-CB 3.47Å; L181-E185 PolarHBondContact O-N 3.45Å; L181-L396 HydrophobicContact CD2-CD1 4.39Å
182	F	88.3	Confident	90.3	Very high	56 Å²	56	30.4 Å²	30.4	25%	0.246	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-43.6	176.6	171.1	-101.5	0	0	0	112.4	S128 A178 K179 E185 K186	S128-F182 WeakPolarHBondContact O-CZ 3.31Å; A178-F182 WeakPolarHBondContact O-CB 3.47Å; A178-F182 PolarHBondContact O-N 3.1Å; K179-F182 WeakPolarHBondContact O-CB 3.3Å; K179-F182 PolarHBondContact O-N 2.75Å; F182-E185 WeakPolarHBondContact O-CB 3.29Å; F182-E185 PolarHBondContact O-N 3Å; F182-K186 HydrophobicContact CZ-CD 4.49Å; F182-K186 PolarHBondContact O-N 2.9Å
183	I	89.6	Confident	90.2	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-47.4	175.7	-68	162.2	0	0	0	110.4	I132 E135 L136 K179 H180 L181 E185 K186 L187 L213	I132-I183 HydrophobicContact CG2-CG2 4Å; E135-I183 HydrophobicContact CB-CD1 4.26Å; E135-I183 HydrophobicContact CB-CG1 4.45Å; E135-I183 HydrophobicContact CG-CD1 3.99Å; E135-I183 HydrophobicContact CG-CG1 4.15Å; L136-I183 HydrophobicContact CD2-CD1 3.77Å; L136-I183 HydrophobicContact CG-CD1 3.96Å; K179-I183 WeakPolarHBondContact O-CG1 3.24Å; K179-I183 PolarHBondContact O-N 2.89Å; H180-I183 PolarHBondContact O-N 3.21Å; L181-I183 PolarHBondContact O-N 3.11Å; I183-E185 VanDerWaalsContact C-N 3.28Å; I183-E185 PolarHBondContact O-N 3.27Å; I183-K186 PolarHBondContact O-N 3.1Å; I183-L187 HydrophobicContact CG2-CD1 4.13Å; I183-L187 WeakPolarHBondContact O-CG 3.44Å; I183-L187 PolarHBondContact O-N 2.79Å; I183-L187 VanDerWaalsContact O-N 3.09Å; I183-L213 HydrophobicContact CG2-CD2 4.3Å
184	A	92.3	Very high	90.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-39.3	176.8	0	0	0	0	0	111.9	H180 L181 L187 L188 L215 L396	H180-A184 PolarHBondContact O-N 3.25Å; H180-A184 VanDerWaalsContact O-N 3.08Å; L181-A184 PolarHBondContact O-N 3.16Å; A184-L187 PolarHBondContact O-N 3.37Å; A184-L188 WeakPolarHBondContact O-CB 3.16Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.29Å; A184-L188 PolarHBondContact O-N 2.77Å; A184-L215 HydrophobicContact CB-CD1 4.48Å; A184-L215 HydrophobicContact CB-CD2 4.26Å; A184-L396 HydrophobicContact CB-CD1 3.92Å
185	E	91.3	Very high	90.5	Very high	29 Å²	29	35.7 Å²	35.7	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-48.5	176.7	-172.4	-177.7	169.1	0	0	111.8	L181 F182 I183 L187 L188 K189 G395 L396	L181-E185 WeakPolarHBondContact O-CB 3.47Å; L181-E185 PolarHBondContact O-N 3.45Å; F182-E185 WeakPolarHBondContact O-CB 3.29Å; F182-E185 PolarHBondContact O-N 3Å; I183-E185 VanDerWaalsContact C-N 3.28Å; I183-E185 PolarHBondContact O-N 3.27Å; E185-L187 VanDerWaalsContact C-N 3.28Å; E185-L187 PolarHBondContact O-N 3.44Å; E185-L188 PolarHBondContact O-N 2.74Å; E185-K189 HydrophobicContact CG-CD 4.24Å; E185-K189 WeakPolarHBondContact O-CB 3.36Å; E185-K189 WeakPolarHBondContact O-CG 3.31Å; E185-K189 PolarHBondContact O-N 2.72Å; E185-K189 WeakPolarHBondContact OE1-CE 3.21Å; E185-K189 IonicContact OE1-NZ 3.59Å; E185-K189 PolarHBondContact OE1-NZ 3.09Å; E185-G395 WeakPolarHBondContact OE1-CA 3.42Å; E185-G395 PolarHBondContact OE1-N 2.84Å; E185-G395 WeakPolarHBondContact OE2-CA 3.48Å; E185-L396 HydrophobicContact CB-CD1 3.93Å; E185-L396 HydrophobicContact CB-CD2 4.3Å; E185-L396 HydrophobicContact CB-CG 3.73Å; E185-L396 HydrophobicContact CG-CD2 4.29Å; E185-L396 HydrophobicContact CG-CG 3.99Å
186	K	89.1	Confident	90.6	Very high	82 Å²	82	37.5 Å²	37.5	36%	0.357	20%	0.201	S	C	.	.	H	α-helix	trans	-59.7	-40.4	179.6	-169.7	168.3	174.1	177.7	0	111.1	T130 I132 F182 I183	T130-K186 PolarHBondContact O-NZ 2.74Å; I132-K186 HydrophobicContact CD1-CD 3.97Å; I132-K186 HydrophobicContact CD1-CG 4.13Å; I132-K186 HydrophobicContact CG1-CD 3.74Å; I132-K186 HydrophobicContact CG1-CG 4.43Å; F182-K186 HydrophobicContact CZ-CD 4.49Å; F182-K186 PolarHBondContact O-N 2.9Å; I183-K186 PolarHBondContact O-N 3.1Å
187	L	91.6	Very high	90.6	Very high	33 Å²	33	42.4 Å²	42.4	17%	0.173	23%	0.232	C	C	.	.	H	α-helix	trans	-68.9	-46.8	176	-67.2	173.1	0	0	0	112.4	I132 I183 A184 E185 K189 G190 A191 L213 L215	I132-L187 HydrophobicContact CD1-CD2 3.88Å; I132-L187 HydrophobicContact CD1-CG 4.29Å; I183-L187 HydrophobicContact CG2-CD1 4.13Å; I183-L187 WeakPolarHBondContact O-CG 3.44Å; I183-L187 PolarHBondContact O-N 2.79Å; I183-L187 VanDerWaalsContact O-N 3.09Å; A184-L187 PolarHBondContact O-N 3.37Å; E185-L187 VanDerWaalsContact C-N 3.28Å; E185-L187 PolarHBondContact O-N 3.44Å; L187-K189 VanDerWaalsContact C-N 3.35Å; L187-K189 PolarHBondContact O-N 2.85Å; L187-G190 CarbonylContact O-C 3.49Å; L187-G190 PolarHBondContact O-N 3.12Å; L187-G190 VanDerWaalsContact O-N 3.11Å; L187-A191 PolarHBondContact O-N 3.14Å; L187-L213 HydrophobicContact CD1-CD2 4.09Å; L187-L215 HydrophobicContact CB-CD1 3.72Å; L187-L215 HydrophobicContact CD1-CD1 3.72Å; L187-L215 HydrophobicContact CG-CD1 4.38Å
188	L	93.6	Very high	90.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.1	-29.5	-177.9	-72.7	174.1	0	0	0	113.4	A184 E185 G190 A191 M202 L215 A217 A249 L375 P378 Q380 L396	A184-L188 WeakPolarHBondContact O-CB 3.16Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.29Å; A184-L188 PolarHBondContact O-N 2.77Å; E185-L188 PolarHBondContact O-N 2.74Å; L188-G190 PolarHBondContact O-N 2.87Å; L188-A191 WeakPolarHBondContact O-CB 3.46Å; L188-A191 PolarHBondContact O-N 2.78Å; L188-M202 HydrophobicContact CD2-SD 4.29Å; L188-L215 HydrophobicContact CD1-CD2 4.34Å; L188-L215 HydrophobicContact CD2-CD2 4.48Å; L188-L215 HydrophobicContact CG-CD1 4.33Å; L188-L215 HydrophobicContact CG-CD2 4.4Å; L188-A217 HydrophobicContact CD2-CB 4.1Å; L188-A249 HydrophobicContact CD1-CB 3.99Å; L188-A249 HydrophobicContact CD2-CB 3.69Å; L188-L375 HydrophobicContact CD1-CD1 3.81Å; L188-P378 HydrophobicContact CB-CG 4.06Å; L188-Q380 PolarHBondContact O-NE2 3.32Å; L188-L396 HydrophobicContact CB-CD2 4.4Å; L188-L396 HydrophobicContact CD1-CD1 4.24Å; L188-L396 HydrophobicContact CD1-CD2 3.73Å
189	K	90.6	Very high	90.7	Very high	40 Å²	40	46 Å²	46	17%	0.174	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-24.7	171.5	-79.1	178.1	179.8	170.6	0	112.9	E185 L187 P378 P381	E185-K189 HydrophobicContact CG-CD 4.24Å; E185-K189 WeakPolarHBondContact O-CB 3.36Å; E185-K189 WeakPolarHBondContact O-CG 3.31Å; E185-K189 PolarHBondContact O-N 2.72Å; E185-K189 WeakPolarHBondContact OE1-CE 3.21Å; E185-K189 IonicContact OE1-NZ 3.59Å; E185-K189 PolarHBondContact OE1-NZ 3.09Å; L187-K189 VanDerWaalsContact C-N 3.35Å; L187-K189 PolarHBondContact O-N 2.85Å; K189-P378 HydrophobicContact CG-CB 4.14Å; K189-P381 VanDerWaalsContact O-CD 3.25Å; K189-P381 WeakPolarHBondContact O-CD 3.3Å
190	G	88.6	Confident	90.9	Very high	17 Å²	17	52.3 Å²	52.3	18%	0.175	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	18.4	176.6	0	0	0	0	0	113.9	L187 L188 S192 D193 N194	L187-G190 CarbonylContact O-C 3.49Å; L187-G190 PolarHBondContact O-N 3.12Å; L187-G190 VanDerWaalsContact O-N 3.11Å; L188-G190 PolarHBondContact O-N 2.87Å; G190-S192 VanDerWaalsContact C-N 3.28Å; G190-S192 PolarHBondContact O-N 2.92Å; G190-D193 WeakPolarHBondContact O-CB 3.4Å; G190-D193 PolarHBondContact O-N 3.44Å; G190-N194 PolarHBondContact O-ND2 3.1Å
191	A	92.4	Very high	91.1	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-59	-37	-172.7	0	0	0	0	0	112.9	L187 L188 D193 N194 M202 A217 L219 Q380	L187-A191 PolarHBondContact O-N 3.14Å; L188-A191 WeakPolarHBondContact O-CB 3.46Å; L188-A191 PolarHBondContact O-N 2.78Å; A191-D193 PolarHBondContact O-N 3.28Å; A191-N194 CarbonylContact O-C 3.5Å; A191-N194 PolarHBondContact O-N 2.99Å; A191-M202 HydrophobicContact CB-CB 4.01Å; A191-M202 HydrophobicContact CB-CG 3.99Å; A191-M202 HydrophobicContact CB-SD 3.75Å; A191-M202 WeakPolarHBondContact O-CB 3.41Å; A191-A217 HydrophobicContact CB-CB 3.9Å; A191-L219 HydrophobicContact CB-CD1 4.38Å; A191-Q380 VanDerWaalsContact N-OE1 3.1Å
192	S	91.7	Very high	91.4	Very high	32 Å²	32	49.7 Å²	49.7	22%	0.224	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-64.2	-20.2	178.2	65.7	0	0	0	0	114.3	G190 N194 I195 P381	G190-S192 VanDerWaalsContact C-N 3.28Å; G190-S192 PolarHBondContact O-N 2.92Å; S192-N194 VanDerWaalsContact C-N 3.33Å; S192-I195 WeakPolarHBondContact O-CD1 3.43Å; S192-I195 WeakPolarHBondContact O-CG1 3.43Å; S192-P381 WeakPolarHBondContact OG-CD 3.45Å
193	D	89.6	Confident	91.7	Very high	82 Å²	82	48.6 Å²	48.6	44%	0.439	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-84.2	-13.3	177.5	-65.5	-23.3	0	0	0	111.9	G190 A191 R383	G190-D193 WeakPolarHBondContact O-CB 3.4Å; G190-D193 PolarHBondContact O-N 3.44Å; A191-D193 PolarHBondContact O-N 3.28Å; D193-R383 VanDerWaalsContact CG-NH2 3.26Å; D193-R383 IonicContact OD1-CZ 3.02Å; D193-R383 IonicContact OD1-NE 3.42Å; D193-R383 IonicContact OD1-NH2 3.95Å; D193-R383 PolarHBondContact OD1-NH2 3.42Å; D193-R383 IonicContact OD2-NH2 3.83Å; D193-R383 PolarHBondContact OD2-NH2 2.87Å
194	N	90.3	Very high	91.9	Very high	91 Å²	91	50.2 Å²	50.2	49%	0.487	26%	0.263	S	S	.	.	S	Bend	trans	-121.9	41.7	-176.9	-61.6	-57.5	0	0	0	111.7	G190 A191 S192 M202	G190-N194 PolarHBondContact O-ND2 3.1Å; A191-N194 CarbonylContact O-C 3.5Å; A191-N194 PolarHBondContact O-N 2.99Å; S192-N194 VanDerWaalsContact C-N 3.33Å; N194-M202 HydrophobicContact CB-CG 4.15Å; N194-M202 WeakPolarHBondContact O-CB 3.31Å; N194-M202 WeakPolarHBondContact O-CG 3.2Å
195	I	93.4	Very high	92	Very high	82 Å²	82	51.9 Å²	51.9	42%	0.421	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-74.2	130	176.9	-65.3	171	0	0	0	109.6	S192 L219	S192-I195 WeakPolarHBondContact O-CD1 3.43Å; S192-I195 WeakPolarHBondContact O-CG1 3.43Å; I195-L219 HydrophobicContact CD1-CD1 4Å; I195-L219 HydrophobicContact CG1-CD1 3.55Å
196	D	92.6	Very high	92	Very high	46 Å²	46	52 Å²	52	25%	0.246	28%	0.277	C	S	.	.			trans	-75.8	132.3	169.2	178.5	-90.2	0	0	0	110.9	D198 T199 R200 N201 Q203	D196-D198 VanDerWaalsContact C-N 3.28Å; D196-D198 PolarHBondContact O-N 2.87Å; D196-D198 WeakPolarHBondContact OD1-CA 3.15Å; D196-D198 WeakPolarHBondContact OD1-CB 3.11Å; D196-D198 PolarHBondContact OD1-N 2.9Å; D196-T199 PolarHBondContact OD1-N 2.91Å; D196-T199 PolarHBondContact OD1-OG1 3Å; D196-R200 VanDerWaalsContact O-CA 3.27Å; D196-R200 WeakPolarHBondContact O-CA 3.47Å; D196-R200 PolarHBondContact O-N 3.4Å; D196-N201 PolarHBondContact N-O 3.41Å; D196-Q203 HydrophobicContact CB-CG 4.3Å; D196-Q203 PolarHBondContact OD1-NE2 3.11Å; D196-Q203 PolarHBondContact OD2-NE2 3.41Å
197	P	90.1	Very high	92.1	Very high	106 Å²	106	53.9 Å²	53.9	69%	0.688	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-26.5	-174.1	25.7	-33.6	0	0	0	113.7
198	D	89.6	Confident	91.9	Very high	148 Å²	148	54.6 Å²	54.6	79%	0.791	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-47.5	-174.9	-65.4	-28	0	0	0	111.1	D196	D196-D198 VanDerWaalsContact C-N 3.28Å; D196-D198 PolarHBondContact O-N 2.87Å; D196-D198 WeakPolarHBondContact OD1-CA 3.15Å; D196-D198 WeakPolarHBondContact OD1-CB 3.11Å; D196-D198 PolarHBondContact OD1-N 2.9Å
199	T	90.3	Very high	91.5	Very high	38 Å²	38	61.9 Å²	61.9	23%	0.233	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-22.5	-179	71.9	0	0	0	0	113	D196 N201 Q203 F228	D196-T199 PolarHBondContact OD1-N 2.91Å; D196-T199 PolarHBondContact OD1-OG1 3Å; T199-N201 PolarHBondContact O-N 2.76Å; T199-N201 VanDerWaalsContact O-N 3.16Å; T199-N201 PolarHBondContact O-ND2 3.49Å; T199-N201 PolarHBondContact OG1-N 3.23Å; T199-N201 VanDerWaalsContact OG1-N 3.11Å; T199-N201 PolarHBondContact OG1-O 2.72Å; T199-Q203 VanDerWaalsContact CG2-NE2 3.3Å; T199-Q203 PolarHBondContact OG1-NE2 3.33Å; T199-Q203 PolarHBondContact OG1-OE1 2.99Å; T199-F228 HydrophobicContact CG2-CE2 3.94Å
200	R	93.4	Very high	91.4	Very high	151 Å²	151	61.3 Å²	61.3	57%	0.57	32%	0.319	S	S	*	.	S	Bend	trans	58.7	14.5	-170	-55.2	179.4	176.6	178.1	-1.1	114.4	D196 F220	D196-R200 VanDerWaalsContact O-CA 3.27Å; D196-R200 WeakPolarHBondContact O-CA 3.47Å; D196-R200 PolarHBondContact O-N 3.4Å; R200-F220 HydrophobicContact CB-CB 3.66Å; R200-F220 HydrophobicContact CB-CD1 4.26Å; R200-F220 HydrophobicContact CB-CD2 4.39Å; R200-F220 HydrophobicContact CB-CG 3.85Å; R200-F220 WeakPolarHBondContact O-CB 3.38Å
201	N	95.4	Very high	91.5	Very high	3 Å²	3	61 Å²	61	2%	0.016	31%	0.313	C	S	.	.	S	Bend	trans	-108.9	170	171.6	-73.5	-53.8	0	0	0	108.8	D196 T199 Q203 W216 A217 N218 L219 F220	D196-N201 PolarHBondContact N-O 3.41Å; T199-N201 PolarHBondContact O-N 2.76Å; T199-N201 VanDerWaalsContact O-N 3.16Å; T199-N201 PolarHBondContact O-ND2 3.49Å; T199-N201 PolarHBondContact OG1-N 3.23Å; T199-N201 VanDerWaalsContact OG1-N 3.11Å; T199-N201 PolarHBondContact OG1-O 2.72Å; N201-Q203 PolarHBondContact O-OE1 2.98Å; N201-W216 HydrophobicContact CB-CZ2 4.45Å; N201-A217 WeakPolarHBondContact CB-O 3.46Å; N201-A217 PolarHBondContact OD1-O 2.84Å; N201-N218 WeakPolarHBondContact OD1-CA 3.47Å; N201-L219 PolarHBondContact OD1-N 3.34Å; N201-F220 PolarHBondContact OD1-N 2.97Å
202	M	95.8	Very high	91.6	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.6	167.2	166.5	-105.5	164.9	0	0	108.3	L188 A191 N194 T204 L215 W216 A217 L219	L188-M202 HydrophobicContact CD2-SD 4.29Å; A191-M202 HydrophobicContact CB-CB 4.01Å; A191-M202 HydrophobicContact CB-CG 3.99Å; A191-M202 HydrophobicContact CB-SD 3.75Å; A191-M202 WeakPolarHBondContact O-CB 3.41Å; N194-M202 HydrophobicContact CB-CG 4.15Å; N194-M202 WeakPolarHBondContact O-CB 3.31Å; N194-M202 WeakPolarHBondContact O-CG 3.2Å; M202-T204 WeakPolarHBondContact CE-OG1 3.32Å; M202-L215 HydrophobicContact CE-CB 3.86Å; M202-L215 HydrophobicContact CE-CD1 4.4Å; M202-W216 CarbonylContact O-C 3.56Å; M202-W216 VanDerWaalsContact O-CA 3.25Å; M202-W216 WeakPolarHBondContact O-CA 3.42Å; M202-A217 HydrophobicContact CB-CB 4.15Å; M202-A217 PolarHBondContact N-O 2.91Å; M202-A217 PolarHBondContact O-N 3.37Å; M202-A217 HydrophobicContact SD-CB 3.86Å; M202-L219 HydrophobicContact CB-CD1 3.97Å
203	Q	94.4	Very high	91.8	Very high	34 Å²	34	60.4 Å²	60.4	16%	0.159	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.2	169.6	55.5	-101.4	26.5	0	0	109.3	D196 T199 N201 L215 F228 F230	D196-Q203 HydrophobicContact CB-CG 4.3Å; D196-Q203 PolarHBondContact OD1-NE2 3.11Å; D196-Q203 PolarHBondContact OD2-NE2 3.41Å; T199-Q203 VanDerWaalsContact CG2-NE2 3.3Å; T199-Q203 PolarHBondContact OG1-NE2 3.33Å; T199-Q203 PolarHBondContact OG1-OE1 2.99Å; N201-Q203 PolarHBondContact O-OE1 2.98Å; Q203-L215 CarbonylContact C-O 3.53Å; Q203-L215 VanDerWaalsContact CA-O 3.3Å; Q203-L215 WeakPolarHBondContact CA-O 3.37Å; Q203-F228 HydrophobicContact CB-CD1 4.4Å; Q203-F228 HydrophobicContact CB-CE1 3.71Å; Q203-F228 HydrophobicContact CB-CZ 3.82Å; Q203-F228 HydrophobicContact CG-CE1 4.03Å; Q203-F228 HydrophobicContact CG-CE2 4.33Å; Q203-F228 HydrophobicContact CG-CZ 3.62Å; Q203-F230 HydrophobicContact CB-CE1 4.16Å
204	T	93.8	Very high	92.1	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.239	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	141	177.7	-60.9	0	0	0	0	110.3	M202 C214 L215	M202-T204 WeakPolarHBondContact CE-OG1 3.32Å; T204-C214 WeakPolarHBondContact O-CA 3.36Å; T204-L215 PolarHBondContact N-O 2.88Å; T204-L215 PolarHBondContact O-N 2.77Å
205	V	94.6	Very high	92.5	Very high	35 Å²	35	52.2 Å²	52.2	21%	0.212	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	124.4	171.6	180	0	0	0	0	108.1	K207 T212 L213 F230 A233	V205-K207 HydrophobicContact CG1-CG 4.03Å; V205-T212 HydrophobicContact CG1-CG2 4.42Å; V205-L213 CarbonylContact C-O 3.41Å; V205-L213 WeakPolarHBondContact CA-O 3.44Å; V205-F230 HydrophobicContact CG2-CB 3.94Å; V205-F230 HydrophobicContact CG2-CD1 3.57Å; V205-F230 HydrophobicContact CG2-CE1 4.46Å; V205-F230 HydrophobicContact CG2-CG 4.15Å; V205-A233 HydrophobicContact CG1-CB 3.9Å; V205-A233 HydrophobicContact CG2-CB 4.39Å
206	S	91.1	Very high	92.7	Very high	31 Å²	31	48.3 Å²	48.3	22%	0.217	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.4	174.6	-57.6	0	0	0	0	108.8	L213	S206-L213 PolarHBondContact N-O 2.99Å; S206-L213 PolarHBondContact O-N 3.4Å
207	K	90.4	Very high	92.9	Very high	122 Å²	122	46.1 Å²	46.1	53%	0.53	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.6	179.3	-71	-175.7	176	-168.7	0	110.6	V205 T212 E232	V205-K207 HydrophobicContact CG1-CG 4.03Å; K207-T212 HydrophobicContact CG-CG2 3.92Å; K207-E232 WeakPolarHBondContact CE-O 3.45Å; K207-E232 PolarHBondContact NZ-O 3.29Å
208	H	87.4	Confident	93.2	Very high	49 Å²	49	41.1 Å²	41.1	23%	0.227	20%	0.2	C	C	.	.			trans	-125.3	175.9	173	-60.6	-73.5	0	0	0	110.2	L136 N210 V211	L136-H208 WeakPolarHBondContact CD1-CE1 3.32Å; L136-H208 WeakPolarHBondContact CD1-NE2 3.26Å; H208-N210 VanDerWaalsContact C-N 3.32Å; H208-N210 PolarHBondContact O-N 3.43Å; H208-V211 CarbonylContact C-O 3.57Å; H208-V211 WeakPolarHBondContact CA-O 3.46Å; H208-V211 PolarHBondContact N-O 3.28Å
209	K	86	Confident	93.4	Very high	153 Å²	153	36.5 Å²	36.5	67%	0.665	18%	0.175	S	C	*	.	S	Bend	trans	-55.7	-45.4	-174.2	-174.1	178.3	176.4	179.9	0	112.9	H256	K209-H256 PolarHBondContact O-ND1 3.07Å
210	N	88.4	Confident	93.6	Very high	28 Å²	28	38.7 Å²	38.7	15%	0.15	18%	0.181	C	C	.	.	S	Bend	trans	-110.7	-2.8	-172.3	-62.9	-31.3	0	0	0	113.7	N140 V143 H208 H256 Y257	N140-N210 PolarHBondContact OD1-ND2 3.25Å; V143-N210 WeakPolarHBondContact CB-ND2 3.43Å; V143-N210 HydrophobicContact CG1-CB 4.37Å; V143-N210 HydrophobicContact CG2-CB 4.22Å; H208-N210 VanDerWaalsContact C-N 3.32Å; H208-N210 PolarHBondContact O-N 3.43Å; N210-H256 WeakPolarHBondContact O-CB 3.43Å; N210-H256 PolarHBondContact O-N 2.86Å; N210-Y257 HydrophobicContact CB-CD1 4.15Å; N210-Y257 HydrophobicContact CB-CE1 4.03Å
211	V	91.1	Very high	93.6	Very high	10 Å²	10	36.2 Å²	36.2	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	140.5	-170	174.8	0	0	0	0	110.6	H208 L253 H254 T255 Y257	H208-V211 CarbonylContact C-O 3.57Å; H208-V211 WeakPolarHBondContact CA-O 3.46Å; H208-V211 PolarHBondContact N-O 3.28Å; V211-L253 HydrophobicContact CG1-CD1 3.23Å; V211-L253 HydrophobicContact CG1-CG 4.22Å; V211-H254 CarbonylContact C-O 3.5Å; V211-H254 VanDerWaalsContact CA-O 3.29Å; V211-H254 WeakPolarHBondContact CA-O 3.45Å; V211-T255 HydrophobicContact CG2-CG2 4.36Å; V211-Y257 HydrophobicContact CG2-CE1 4.2Å
212	T	94.6	Very high	93.3	Very high	9 Å²	9	38.8 Å²	38.8	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.8	165.7	-61.3	0	0	0	0	109.4	V205 K207 A233 H254 H256	V205-T212 HydrophobicContact CG1-CG2 4.42Å; K207-T212 HydrophobicContact CG-CG2 3.92Å; T212-A233 HydrophobicContact CG2-CB 4.01Å; T212-H254 PolarHBondContact N-O 3Å; T212-H254 PolarHBondContact O-N 2.83Å; T212-H256 PolarHBondContact OG1-NE2 3.05Å
213	L	95.1	Very high	93	Very high	10 Å²	10	42.5 Å²	42.5	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.6	177.6	175.3	63.6	0	0	0	109.9	I183 L187 V205 S206 L215 R251 L253	I183-L213 HydrophobicContact CG2-CD2 4.3Å; L187-L213 HydrophobicContact CD1-CD2 4.09Å; V205-L213 CarbonylContact C-O 3.41Å; V205-L213 WeakPolarHBondContact CA-O 3.44Å; S206-L213 PolarHBondContact N-O 2.99Å; S206-L213 PolarHBondContact O-N 3.4Å; L213-L215 HydrophobicContact CD1-CD2 4.05Å; L213-L215 HydrophobicContact CD1-CG 4.1Å; L213-L215 HydrophobicContact CD2-CD1 4.12Å; L213-L215 HydrophobicContact CD2-CG 4.32Å; L213-L215 HydrophobicContact CG-CD1 4.41Å; L213-L215 HydrophobicContact CG-CG 4.08Å; L213-R251 HydrophobicContact CD1-CG 3.91Å; L213-L253 HydrophobicContact CB-CD1 4.17Å; L213-L253 HydrophobicContact CD1-CB 4.17Å; L213-L253 HydrophobicContact CD1-CD1 4.04Å
214	C	97.3	Very high	92.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.1	169.8	-53.3	0	0	0	0	109.2	T204 F230 A233 R251 I252	T204-C214 WeakPolarHBondContact O-CA 3.36Å; C214-F230 HydrophobicContact CB-CD1 4Å; C214-F230 HydrophobicContact CB-CD2 3.79Å; C214-F230 HydrophobicContact CB-CE1 3.94Å; C214-F230 HydrophobicContact CB-CE2 3.72Å; C214-F230 HydrophobicContact CB-CG 3.91Å; C214-F230 HydrophobicContact CB-CZ 3.78Å; C214-A233 WeakPolarHBondContact SG-CB 3.37Å; C214-R251 WeakPolarHBondContact O-CA 3.35Å; C214-I252 HydrophobicContact CB-CB 4.18Å; C214-I252 PolarHBondContact N-O 3.4Å; C214-I252 PolarHBondContact O-N 3.14Å
215	L	97.2	Very high	92.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.7	176.6	-68	174.5	0	0	0	109.4	A184 L187 L188 M202 Q203 T204 L213 F230 R251	A184-L215 HydrophobicContact CB-CD1 4.48Å; A184-L215 HydrophobicContact CB-CD2 4.26Å; L187-L215 HydrophobicContact CB-CD1 3.72Å; L187-L215 HydrophobicContact CD1-CD1 3.72Å; L187-L215 HydrophobicContact CG-CD1 4.38Å; L188-L215 HydrophobicContact CD1-CD2 4.34Å; L188-L215 HydrophobicContact CD2-CD2 4.48Å; L188-L215 HydrophobicContact CG-CD1 4.33Å; L188-L215 HydrophobicContact CG-CD2 4.4Å; M202-L215 HydrophobicContact CE-CB 3.86Å; M202-L215 HydrophobicContact CE-CD1 4.4Å; Q203-L215 CarbonylContact C-O 3.53Å; Q203-L215 VanDerWaalsContact CA-O 3.3Å; Q203-L215 WeakPolarHBondContact CA-O 3.37Å; T204-L215 PolarHBondContact N-O 2.88Å; T204-L215 PolarHBondContact O-N 2.77Å; L213-L215 HydrophobicContact CD1-CD2 4.05Å; L213-L215 HydrophobicContact CD1-CG 4.1Å; L213-L215 HydrophobicContact CD2-CD1 4.12Å; L213-L215 HydrophobicContact CD2-CG 4.32Å; L213-L215 HydrophobicContact CG-CD1 4.41Å; L213-L215 HydrophobicContact CG-CG 4.08Å; L215-F230 WeakPolarHBondContact O-CE1 3.15Å; L215-R251 HydrophobicContact CD2-CB 3.7Å; L215-R251 HydrophobicContact CD2-CG 3.85Å
216	W	97.6	Very high	92.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.5	167.7	176.4	86.6	0	0	0	109.4	N201 M202 N218 F225 F230 F237 L239 I248 A249 V250	N201-W216 HydrophobicContact CB-CZ2 4.45Å; M202-W216 CarbonylContact O-C 3.56Å; M202-W216 VanDerWaalsContact O-CA 3.25Å; M202-W216 WeakPolarHBondContact O-CA 3.42Å; W216-N218 HydrophobicContact CH2-CB 3.42Å; W216-N218 VanDerWaalsContact CH2-CB 3.42Å; W216-N218 HydrophobicContact CZ2-CB 4.11Å; W216-N218 HydrophobicContact CZ3-CB 3.68Å; W216-F225 AromaticContact CE2-CE1 3.92Å; W216-F225 AromaticContact CE2-CZ 3.7Å; W216-F225 HydrophobicContact CH2-CD1 4.15Å; W216-F225 AromaticContact CH2-CE1 3.7Å; W216-F225 HydrophobicContact CH2-CE1 3.7Å; W216-F225 HydrophobicContact CH2-CZ 4.29Å; W216-F225 HydrophobicContact CZ2-CD1 4Å; W216-F225 AromaticContact CZ2-CE1 3.36Å; W216-F225 HydrophobicContact CZ2-CE1 3.36Å; W216-F225 HydrophobicContact CZ2-CE2 4.26Å; W216-F225 AromaticContact CZ2-CZ 3.49Å; W216-F225 HydrophobicContact CZ2-CZ 3.49Å; W216-F225 VanDerWaalsContact CZ2-CZ 3.49Å; W216-F225 AromaticContact NE1-CZ 3.79Å; W216-F230 HydrophobicContact CB-CZ 3.85Å; W216-F237 HydrophobicContact CB-CE1 3.93Å; W216-F237 HydrophobicContact CB-CZ 4.01Å; W216-F237 AromaticContact CD2-CZ 3.7Å; W216-F237 HydrophobicContact CD2-CZ 3.7Å; W216-F237 HydrophobicContact CE3-CE2 4.35Å; W216-F237 AromaticContact CE3-CZ 3.8Å; W216-F237 HydrophobicContact CE3-CZ 3.8Å; W216-F237 HydrophobicContact CG-CE1 4.16Å; W216-F237 AromaticContact CG-CZ 3.8Å; W216-F237 HydrophobicContact CG-CZ 3.8Å; W216-F237 HydrophobicContact CZ3-CZ 4.47Å; W216-L239 HydrophobicContact CH2-CD2 4.03Å; W216-L239 HydrophobicContact CZ3-CD2 4.14Å; W216-I248 HydrophobicContact CZ3-CD1 4.14Å; W216-I248 HydrophobicContact CZ3-CG1 4.32Å; W216-A249 CarbonylContact O-C 3.45Å; W216-A249 WeakPolarHBondContact O-CA 3.45Å; W216-A249 WeakPolarHBondContact O-CB 3.48Å; W216-V250 HydrophobicContact CB-CB 4.49Å; W216-V250 HydrophobicContact CE3-CB 4.21Å; W216-V250 HydrophobicContact CE3-CG2 3.92Å; W216-V250 HydrophobicContact CZ3-CG2 4.3Å; W216-V250 PolarHBondContact N-O 3Å; W216-V250 PolarHBondContact O-N 3.16Å
217	A	97.5	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.2	177.3	0	0	0	0	0	110.9	L188 A191 N201 M202 L219 A249 L377	L188-A217 HydrophobicContact CD2-CB 4.1Å; A191-A217 HydrophobicContact CB-CB 3.9Å; N201-A217 WeakPolarHBondContact CB-O 3.46Å; N201-A217 PolarHBondContact OD1-O 2.84Å; M202-A217 HydrophobicContact CB-CB 4.15Å; M202-A217 PolarHBondContact N-O 2.91Å; M202-A217 PolarHBondContact O-N 3.37Å; M202-A217 HydrophobicContact SD-CB 3.86Å; A217-L219 PolarHBondContact O-N 2.94Å; A217-A249 HydrophobicContact CB-CB 4.35Å; A217-L377 HydrophobicContact CB-CD1 3.52Å
218	N	96.6	Very high	93.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.011	24%	0.236	C	C	.	.			trans	-78.8	88.3	-178.3	-166.1	10.7	0	0	0	111.1	N201 W216 F220 A244 S246 I248	N201-N218 WeakPolarHBondContact OD1-CA 3.47Å; W216-N218 HydrophobicContact CH2-CB 3.42Å; W216-N218 VanDerWaalsContact CH2-CB 3.42Å; W216-N218 HydrophobicContact CZ2-CB 4.11Å; W216-N218 HydrophobicContact CZ3-CB 3.68Å; N218-F220 PolarHBondContact OD1-O 3.2Å; N218-A244 PolarHBondContact ND2-O 2.78Å; N218-S246 PolarHBondContact ND2-O 3.41Å; N218-I248 HydrophobicContact CB-CG1 3.99Å; N218-I248 WeakPolarHBondContact CB-O 3.43Å; N218-I248 PolarHBondContact N-O 2.98Å
219	L	94.3	Very high	93.5	Very high	51 Å²	51	45.3 Å²	45.3	27%	0.267	24%	0.244	S	C	.	.			trans	-95.2	-26.1	176.2	-62.3	170.3	0	0	0	111.5	A191 I195 N201 M202 A217 L377 Q380	A191-L219 HydrophobicContact CB-CD1 4.38Å; I195-L219 HydrophobicContact CD1-CD1 4Å; I195-L219 HydrophobicContact CG1-CD1 3.55Å; N201-L219 PolarHBondContact OD1-N 3.34Å; M202-L219 HydrophobicContact CB-CD1 3.97Å; A217-L219 PolarHBondContact O-N 2.94Å; L219-L377 HydrophobicContact CD2-CD2 3.76Å; L219-Q380 HydrophobicContact CD2-CG 3.97Å
220	F	93	Very high	94	Very high	83 Å²	83	38.3 Å²	38.3	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	-114.5	93.2	177.9	-176.8	-112	0	0	0	111.1	R200 N201 N218 N222	R200-F220 HydrophobicContact CB-CB 3.66Å; R200-F220 HydrophobicContact CB-CD1 4.26Å; R200-F220 HydrophobicContact CB-CD2 4.39Å; R200-F220 HydrophobicContact CB-CG 3.85Å; R200-F220 WeakPolarHBondContact O-CB 3.38Å; N201-F220 PolarHBondContact OD1-N 2.97Å; N218-F220 PolarHBondContact OD1-O 3.2Å; F220-N222 HydrophobicContact CD1-CB 4.15Å; F220-N222 HydrophobicContact CE1-CB 4Å; F220-N222 PolarHBondContact O-N 2.99Å
221	K	93.1	Very high	94.2	Very high	99 Å²	99	44.6 Å²	44.6	43%	0.43	24%	0.242	S	C	.	.			trans	-65	100.7	-178.8	-62.8	175.3	-179.6	-171.6	0	111.3	V245 D247	K221-V245 WeakPolarHBondContact CD-O 3.29Å; K221-D247 WeakPolarHBondContact CE-OD1 3.29Å; K221-D247 IonicContact NZ-OD1 3.97Å; K221-D247 PolarHBondContact NZ-OD1 2.85Å; K221-D247 IonicContact NZ-OD2 3.38Å; K221-D247 PolarHBondContact NZ-OD2 3.11Å
222	N	90.4	Very high	94.3	Very high	58 Å²	58	51.2 Å²	51.2	31%	0.31	27%	0.272	S	S	.	.			trans	-125.4	110.3	-179.3	178.1	9.5	0	0	0	110.6	F220 S224 F225 A244	F220-N222 HydrophobicContact CD1-CB 4.15Å; F220-N222 HydrophobicContact CE1-CB 4Å; F220-N222 PolarHBondContact O-N 2.99Å; N222-S224 PolarHBondContact O-N 2.91Å; N222-S224 VanDerWaalsContact O-N 3.13Å; N222-S224 PolarHBondContact OD1-N 2.82Å; N222-S224 VanDerWaalsContact OD1-N 3.11Å; N222-F225 HydrophobicContact CB-CB 4.25Å; N222-F225 WeakPolarHBondContact O-CB 3.4Å; N222-F225 PolarHBondContact O-N 2.88Å; N222-A244 PolarHBondContact N-O 2.9Å; N222-A244 WeakPolarHBondContact O-CB 3.37Å
223	P	89.2	Confident	94.3	Very high	78 Å²	78	51.8 Å²	51.8	51%	0.506	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-25.8	-179.8	-22.5	31.1	0	0	0	114.9	F225 V245	P223-F225 VanDerWaalsContact C-N 3.26Å; P223-F225 PolarHBondContact O-N 2.99Å; P223-V245 HydrophobicContact CB-CG1 4.27Å; P223-V245 HydrophobicContact CG-CG1 3.73Å
224	S	90.6	Very high	94.3	Very high	98 Å²	98	52 Å²	52	69%	0.685	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	4.1	178.8	-54.6	0	0	0	0	113.4	N222 T226	N222-S224 PolarHBondContact O-N 2.91Å; N222-S224 VanDerWaalsContact O-N 3.13Å; N222-S224 PolarHBondContact OD1-N 2.82Å; N222-S224 VanDerWaalsContact OD1-N 3.11Å; S224-T226 PolarHBondContact O-N 3.19Å
225	F	92.4	Very high	94.3	Very high	32 Å²	32	52.1 Å²	52.1	14%	0.14	28%	0.283	C	S	.	.			trans	-76.1	120.1	177.1	-178.5	-95.4	0	0	0	110.3	W216 N222 P223 G227 F228 F237 L239 A244	W216-F225 AromaticContact CE2-CE1 3.92Å; W216-F225 AromaticContact CE2-CZ 3.7Å; W216-F225 HydrophobicContact CH2-CD1 4.15Å; W216-F225 AromaticContact CH2-CE1 3.7Å; W216-F225 HydrophobicContact CH2-CE1 3.7Å; W216-F225 HydrophobicContact CH2-CZ 4.29Å; W216-F225 HydrophobicContact CZ2-CD1 4Å; W216-F225 AromaticContact CZ2-CE1 3.36Å; W216-F225 HydrophobicContact CZ2-CE1 3.36Å; W216-F225 HydrophobicContact CZ2-CE2 4.26Å; W216-F225 AromaticContact CZ2-CZ 3.49Å; W216-F225 HydrophobicContact CZ2-CZ 3.49Å; W216-F225 VanDerWaalsContact CZ2-CZ 3.49Å; W216-F225 AromaticContact NE1-CZ 3.79Å; N222-F225 HydrophobicContact CB-CB 4.25Å; N222-F225 WeakPolarHBondContact O-CB 3.4Å; N222-F225 PolarHBondContact O-N 2.88Å; P223-F225 VanDerWaalsContact C-N 3.26Å; P223-F225 PolarHBondContact O-N 2.99Å; F225-G227 VanDerWaalsContact CE2-O 3.29Å; F225-G227 WeakPolarHBondContact CE2-O 3.4Å; F225-G227 VanDerWaalsContact CZ-C 3.42Å; F225-G227 WeakPolarHBondContact CZ-O 3.38Å; F225-F228 HydrophobicContact CZ-CB 4.09Å; F225-F237 HydrophobicContact CE1-CE2 4.28Å; F225-F237 HydrophobicContact CE1-CZ 4.48Å; F225-L239 HydrophobicContact CD1-CD2 4.01Å; F225-L239 HydrophobicContact CE1-CD2 4.2Å; F225-A244 HydrophobicContact CB-CB 4.35Å
226	T	91.4	Very high	94.3	Very high	106 Å²	106	52.8 Å²	52.8	65%	0.65	29%	0.288	S	S	*	.			trans	-103.5	-7.6	-173.6	57.1	0	0	0	0	113.9	S224 K238 L239	S224-T226 PolarHBondContact O-N 3.19Å; T226-K238 CarbonylContact O-C 3.56Å; T226-K238 WeakPolarHBondContact O-CA 3.13Å; T226-L239 PolarHBondContact O-N 3.17Å
227	G	94.3	Very high	94.3	Very high	20 Å²	20	53 Å²	53	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.4	177.2	-173.9	0	0	0	0	0	114.1	F225 F237	F225-G227 VanDerWaalsContact CE2-O 3.29Å; F225-G227 WeakPolarHBondContact CE2-O 3.4Å; F225-G227 VanDerWaalsContact CZ-C 3.42Å; F225-G227 WeakPolarHBondContact CZ-O 3.38Å; G227-F237 CarbonylContact C-O 3.31Å; G227-F237 WeakPolarHBondContact CA-O 3.38Å
228	F	96.5	Very high	94.2	Very high	41 Å²	41	58.3 Å²	58.3	18%	0.18	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.4	178.4	-169.7	-104.7	0	0	0	111.5	T199 Q203 F225 F230 S236 F237	T199-F228 HydrophobicContact CG2-CE2 3.94Å; Q203-F228 HydrophobicContact CB-CD1 4.4Å; Q203-F228 HydrophobicContact CB-CE1 3.71Å; Q203-F228 HydrophobicContact CB-CZ 3.82Å; Q203-F228 HydrophobicContact CG-CE1 4.03Å; Q203-F228 HydrophobicContact CG-CE2 4.33Å; Q203-F228 HydrophobicContact CG-CZ 3.62Å; F225-F228 HydrophobicContact CZ-CB 4.09Å; F228-F230 AromaticContact CD1-CD1 3.79Å; F228-F230 HydrophobicContact CD1-CD1 3.79Å; F228-F230 HydrophobicContact CD1-CD2 4.07Å; F228-F230 AromaticContact CD1-CE1 3.74Å; F228-F230 HydrophobicContact CD1-CE1 3.74Å; F228-F230 HydrophobicContact CD1-CE2 4.02Å; F228-F230 AromaticContact CD1-CG 3.97Å; F228-F230 HydrophobicContact CD1-CG 3.97Å; F228-F230 AromaticContact CD1-CZ 3.87Å; F228-F230 HydrophobicContact CD1-CZ 3.87Å; F228-F230 AromaticContact CE1-CD1 3.55Å; F228-F230 HydrophobicContact CE1-CD1 3.55Å; F228-F230 AromaticContact CE1-CE1 3.73Å; F228-F230 HydrophobicContact CE1-CE1 3.73Å; F228-F230 HydrophobicContact CE1-CG 4.03Å; F228-F230 HydrophobicContact CE1-CZ 4.35Å; F228-S236 VanDerWaalsContact O-CA 3.3Å; F228-S236 WeakPolarHBondContact O-CA 3.35Å; F228-S236 WeakPolarHBondContact O-CB 3.49Å; F228-F237 HydrophobicContact CB-CD1 4.38Å; F228-F237 HydrophobicContact CB-CE1 3.61Å; F228-F237 HydrophobicContact CB-CZ 3.74Å; F228-F237 PolarHBondContact N-O 2.97Å; F228-F237 VanDerWaalsContact N-O 3.1Å; F228-F237 PolarHBondContact O-N 2.84Å
229	D	96.4	Very high	94	Very high	73 Å²	73	58.7 Å²	58.7	39%	0.39	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	108.5	177.7	-177.6	11.9	0	0	0	110.3	Q231	D229-Q231 HydrophobicContact CB-CG 4.49Å; D229-Q231 PolarHBondContact O-N 2.83Å; D229-Q231 PolarHBondContact OD1-N 3.13Å; D229-Q231 WeakPolarHBondContact OD2-CG 3.4Å
230	F	96.6	Very high	93.9	Very high	6 Å²	6	56.8 Å²	56.8	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	73.5	170.1	-56.9	-84.8	0	0	0	108.8	Q203 V205 C214 L215 W216 F228 E232 A233 G234 L235 F237 I252	Q203-F230 HydrophobicContact CB-CE1 4.16Å; V205-F230 HydrophobicContact CG2-CB 3.94Å; V205-F230 HydrophobicContact CG2-CD1 3.57Å; V205-F230 HydrophobicContact CG2-CE1 4.46Å; V205-F230 HydrophobicContact CG2-CG 4.15Å; C214-F230 HydrophobicContact CB-CD1 4Å; C214-F230 HydrophobicContact CB-CD2 3.79Å; C214-F230 HydrophobicContact CB-CE1 3.94Å; C214-F230 HydrophobicContact CB-CE2 3.72Å; C214-F230 HydrophobicContact CB-CG 3.91Å; C214-F230 HydrophobicContact CB-CZ 3.78Å; L215-F230 WeakPolarHBondContact O-CE1 3.15Å; W216-F230 HydrophobicContact CB-CZ 3.85Å; F228-F230 AromaticContact CD1-CD1 3.79Å; F228-F230 HydrophobicContact CD1-CD1 3.79Å; F228-F230 HydrophobicContact CD1-CD2 4.07Å; F228-F230 AromaticContact CD1-CE1 3.74Å; F228-F230 HydrophobicContact CD1-CE1 3.74Å; F228-F230 HydrophobicContact CD1-CE2 4.02Å; F228-F230 AromaticContact CD1-CG 3.97Å; F228-F230 HydrophobicContact CD1-CG 3.97Å; F228-F230 AromaticContact CD1-CZ 3.87Å; F228-F230 HydrophobicContact CD1-CZ 3.87Å; F228-F230 AromaticContact CE1-CD1 3.55Å; F228-F230 HydrophobicContact CE1-CD1 3.55Å; F228-F230 AromaticContact CE1-CE1 3.73Å; F228-F230 HydrophobicContact CE1-CE1 3.73Å; F228-F230 HydrophobicContact CE1-CG 4.03Å; F228-F230 HydrophobicContact CE1-CZ 4.35Å; F230-E232 PolarHBondContact O-N 3.23Å; F230-E232 VanDerWaalsContact O-N 3.11Å; F230-A233 HydrophobicContact CB-CB 4.04Å; F230-A233 CarbonylContact O-C 3.52Å; F230-A233 WeakPolarHBondContact O-CA 3.46Å; F230-A233 PolarHBondContact O-N 3.15Å; F230-G234 PolarHBondContact O-N 2.76Å; F230-L235 WeakPolarHBondContact CA-O 3.34Å; F230-L235 WeakPolarHBondContact CB-O 3.43Å; F230-L235 WeakPolarHBondContact CD2-O 3.32Å; F230-L235 PolarHBondContact N-O 3.14Å; F230-L235 PolarHBondContact O-N 3.14Å; F230-F237 AromaticContact CE2-CD1 3.91Å; F230-F237 HydrophobicContact CE2-CD1 3.91Å; F230-F237 AromaticContact CE2-CE1 3.79Å; F230-F237 HydrophobicContact CE2-CE1 3.79Å; F230-F237 HydrophobicContact CZ-CE1 4.25Å; F230-I252 HydrophobicContact CE2-CD1 4.36Å
231	Q	93.3	Very high	93.7	Very high	159 Å²	159	60 Å²	60	74%	0.743	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-50.9	-40.6	-176.4	-69.4	-175	-7.2	0	0	112.6	D229 A233 G234	D229-Q231 HydrophobicContact CB-CG 4.49Å; D229-Q231 PolarHBondContact O-N 2.83Å; D229-Q231 PolarHBondContact OD1-N 3.13Å; D229-Q231 WeakPolarHBondContact OD2-CG 3.4Å; Q231-A233 VanDerWaalsContact C-N 3.28Å; Q231-A233 PolarHBondContact O-N 2.87Å; Q231-G234 PolarHBondContact O-N 2.86Å
232	E	92.9	Very high	93.6	Very high	149 Å²	149	58.9 Å²	58.9	70%	0.696	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-59.1	-39.7	177	-65.1	-178.3	-170.6	0	0	112	K207 F230	K207-E232 WeakPolarHBondContact CE-O 3.45Å; K207-E232 PolarHBondContact NZ-O 3.29Å; F230-E232 PolarHBondContact O-N 3.23Å; F230-E232 VanDerWaalsContact O-N 3.11Å
233	A	94.6	Very high	93.7	Very high	21 Å²	21	56.1 Å²	56.1	17%	0.174	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-87	-11.7	-179.7	0	0	0	0	0	113.8	V205 T212 C214 F230 Q231 L235	V205-A233 HydrophobicContact CG1-CB 3.9Å; V205-A233 HydrophobicContact CG2-CB 4.39Å; T212-A233 HydrophobicContact CG2-CB 4.01Å; C214-A233 WeakPolarHBondContact SG-CB 3.37Å; F230-A233 HydrophobicContact CB-CB 4.04Å; F230-A233 CarbonylContact O-C 3.52Å; F230-A233 WeakPolarHBondContact O-CA 3.46Å; F230-A233 PolarHBondContact O-N 3.15Å; Q231-A233 VanDerWaalsContact C-N 3.28Å; Q231-A233 PolarHBondContact O-N 2.87Å; A233-L235 HydrophobicContact CB-CB 4.21Å; A233-L235 HydrophobicContact CB-CD1 4.11Å; A233-L235 HydrophobicContact CB-CG 4.25Å; A233-L235 PolarHBondContact O-N 3.07Å
234	G	95.7	Very high	93.8	Very high	14 Å²	14	52.4 Å²	52.4	14%	0.144	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	28.8	-170.2	0	0	0	0	0	112.3	F230 Q231 I431 V432	F230-G234 PolarHBondContact O-N 2.76Å; Q231-G234 PolarHBondContact O-N 2.86Å; G234-I431 CarbonylContact O-C 3.49Å; G234-I431 WeakPolarHBondContact O-CA 3.3Å; G234-V432 PolarHBondContact O-N 3.45Å
235	L	97.1	Very high	93.9	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	135.5	-176.4	-69.6	170.3	0	0	0	109.5	F230 A233 I252 H254 F370 I431	F230-L235 WeakPolarHBondContact CA-O 3.34Å; F230-L235 WeakPolarHBondContact CB-O 3.43Å; F230-L235 WeakPolarHBondContact CD2-O 3.32Å; F230-L235 PolarHBondContact N-O 3.14Å; F230-L235 PolarHBondContact O-N 3.14Å; A233-L235 HydrophobicContact CB-CB 4.21Å; A233-L235 HydrophobicContact CB-CD1 4.11Å; A233-L235 HydrophobicContact CB-CG 4.25Å; A233-L235 PolarHBondContact O-N 3.07Å; L235-I252 HydrophobicContact CB-CD1 4.49Å; L235-I252 HydrophobicContact CD1-CG2 3.86Å; L235-H254 HydrophobicContact CD1-CB 4.4Å; L235-F370 HydrophobicContact CD2-CD1 4.15Å; L235-F370 HydrophobicContact CD2-CE1 3.88Å; L235-I431 HydrophobicContact CD2-CB 4.22Å; L235-I431 HydrophobicContact CD2-CG1 3.86Å; L235-I431 HydrophobicContact CD2-CG2 3.85Å
236	S	97.3	Very high	93.9	Very high	16 Å²	16	50.8 Å²	50.8	11%	0.112	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.2	174.9	65.8	0	0	0	0	110.8	F228 S430	F228-S236 VanDerWaalsContact O-CA 3.3Å; F228-S236 WeakPolarHBondContact O-CA 3.35Å; F228-S236 WeakPolarHBondContact O-CB 3.49Å; S236-S430 PolarHBondContact N-O 3.47Å; S236-S430 PolarHBondContact O-N 3.16Å; S236-S430 VanDerWaalsContact OG-CB 3.24Å; S236-S430 WeakPolarHBondContact OG-CB 3.41Å; S236-S430 PolarHBondContact OG-O 3.07Å
237	F	97.1	Very high	94	Very high	3 Å²	3	49.7 Å²	49.7	1%	0.013	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	151.1	173.3	68.8	-89.4	0	0	0	111	W216 F225 G227 F228 F230 L239 V250 I252 Y372 G428	W216-F237 HydrophobicContact CB-CE1 3.93Å; W216-F237 HydrophobicContact CB-CZ 4.01Å; W216-F237 AromaticContact CD2-CZ 3.7Å; W216-F237 HydrophobicContact CD2-CZ 3.7Å; W216-F237 HydrophobicContact CE3-CE2 4.35Å; W216-F237 AromaticContact CE3-CZ 3.8Å; W216-F237 HydrophobicContact CE3-CZ 3.8Å; W216-F237 HydrophobicContact CG-CE1 4.16Å; W216-F237 AromaticContact CG-CZ 3.8Å; W216-F237 HydrophobicContact CG-CZ 3.8Å; W216-F237 HydrophobicContact CZ3-CZ 4.47Å; F225-F237 HydrophobicContact CE1-CE2 4.28Å; F225-F237 HydrophobicContact CE1-CZ 4.48Å; G227-F237 CarbonylContact C-O 3.31Å; G227-F237 WeakPolarHBondContact CA-O 3.38Å; F228-F237 HydrophobicContact CB-CD1 4.38Å; F228-F237 HydrophobicContact CB-CE1 3.61Å; F228-F237 HydrophobicContact CB-CZ 3.74Å; F228-F237 PolarHBondContact N-O 2.97Å; F228-F237 VanDerWaalsContact N-O 3.1Å; F228-F237 PolarHBondContact O-N 2.84Å; F230-F237 AromaticContact CE2-CD1 3.91Å; F230-F237 HydrophobicContact CE2-CD1 3.91Å; F230-F237 AromaticContact CE2-CE1 3.79Å; F230-F237 HydrophobicContact CE2-CE1 3.79Å; F230-F237 HydrophobicContact CZ-CE1 4.25Å; F237-L239 HydrophobicContact CD2-CB 4.28Å; F237-L239 HydrophobicContact CE2-CB 4.1Å; F237-L239 HydrophobicContact CE2-CD1 4.44Å; F237-V250 HydrophobicContact CD1-CG1 3.95Å; F237-V250 HydrophobicContact CD2-CG1 4.39Å; F237-V250 HydrophobicContact CD2-CG2 4.33Å; F237-V250 HydrophobicContact CE1-CB 4.23Å; F237-V250 HydrophobicContact CE1-CG1 4.08Å; F237-V250 HydrophobicContact CE2-CB 4.43Å; F237-V250 HydrophobicContact CE2-CG2 3.96Å; F237-V250 HydrophobicContact CG-CG1 4.11Å; F237-V250 HydrophobicContact CZ-CB 4.17Å; F237-V250 HydrophobicContact CZ-CG1 4.38Å; F237-V250 HydrophobicContact CZ-CG2 4.13Å; F237-I252 HydrophobicContact CB-CD1 4.46Å; F237-I252 HydrophobicContact CD1-CD1 4.37Å; F237-Y372 HydrophobicContact CB-CE2 3.97Å; F237-Y372 WeakPolarHBondContact CB-OH 3.28Å; F237-G428 CarbonylContact C-O 3.52Å; F237-G428 VanDerWaalsContact CA-O 3.25Å; F237-G428 WeakPolarHBondContact CA-O 3.09Å
238	K	95.6	Very high	94.1	Very high	113 Å²	113	48.8 Å²	48.8	49%	0.491	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.8	166.5	-59.8	179.4	-177.1	170.9	0	109.4	T226 G428	T226-K238 CarbonylContact O-C 3.56Å; T226-K238 WeakPolarHBondContact O-CA 3.13Å; K238-G428 PolarHBondContact N-O 2.76Å; K238-G428 PolarHBondContact O-N 2.9Å
239	L	92.4	Very high	94.2	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.052	24%	0.24	C	C	.	.			trans	-108.1	127.7	-175.7	-166.4	71.4	0	0	0	110.1	W216 F225 T226 F237 L243 A244 I248 V250 F479	W216-L239 HydrophobicContact CH2-CD2 4.03Å; W216-L239 HydrophobicContact CZ3-CD2 4.14Å; F225-L239 HydrophobicContact CD1-CD2 4.01Å; F225-L239 HydrophobicContact CE1-CD2 4.2Å; T226-L239 PolarHBondContact O-N 3.17Å; F237-L239 HydrophobicContact CD2-CB 4.28Å; F237-L239 HydrophobicContact CE2-CB 4.1Å; F237-L239 HydrophobicContact CE2-CD1 4.44Å; L239-L243 HydrophobicContact CD1-CB 3.71Å; L239-L243 HydrophobicContact CD1-CD1 3.81Å; L239-L243 HydrophobicContact CD1-CG 4.43Å; L239-L243 HydrophobicContact CD2-CB 4.09Å; L239-L243 HydrophobicContact CG-CB 3.78Å; L239-A244 HydrophobicContact CD2-CB 4.26Å; L239-I248 HydrophobicContact CD1-CD1 4.02Å; L239-I248 HydrophobicContact CD2-CD1 4.08Å; L239-V250 HydrophobicContact CD1-CG2 4.38Å; L239-F479 HydrophobicContact CD1-CZ 4.25Å
240	P	92.1	Very high	94.2	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.065	22%	0.221	C	C	.	.			trans	-53.5	142.7	166.3	-29.2	35.3	0	0	0	113.2	E242 L243 A244 Y401 V427	P240-E242 WeakPolarHBondContact CB-OE2 3.39Å; P240-E242 PolarHBondContact O-N 3.28Å; P240-E242 VanDerWaalsContact O-N 3.15Å; P240-L243 HydrophobicContact CB-CG 4.5Å; P240-L243 HydrophobicContact CG-CD1 4.31Å; P240-L243 PolarHBondContact O-N 3.39Å; P240-A244 PolarHBondContact O-N 2.83Å; P240-Y401 WeakPolarHBondContact CG-OH 3.25Å; P240-V427 HydrophobicContact CG-CG1 3.88Å
241	E	89.5	Confident	94.3	Very high	151 Å²	151	43.2 Å²	43.2	71%	0.706	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.9	-178.4	-66.4	-173.5	175.9	0	0	112.3	L243 A244	E241-L243 PolarHBondContact O-N 3.34Å; E241-A244 WeakPolarHBondContact O-CB 3.36Å; E241-A244 PolarHBondContact O-N 2.7Å
242	E	89.2	Confident	94.5	Very high	76 Å²	76	35.7 Å²	35.7	36%	0.355	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.9	-179.9	-52.4	90	165.7	0	0	112.7	P240 S246	P240-E242 WeakPolarHBondContact CB-OE2 3.39Å; P240-E242 PolarHBondContact O-N 3.28Å; P240-E242 VanDerWaalsContact O-N 3.15Å; E242-S246 PolarHBondContact O-OG 2.96Å
243	L	92.6	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-23.6	-180	-69	-176.6	0	0	0	112.4	L239 P240 E241 V245 S246 I248 L374 F399 Y401 F479	L239-L243 HydrophobicContact CD1-CB 3.71Å; L239-L243 HydrophobicContact CD1-CD1 3.81Å; L239-L243 HydrophobicContact CD1-CG 4.43Å; L239-L243 HydrophobicContact CD2-CB 4.09Å; L239-L243 HydrophobicContact CG-CB 3.78Å; P240-L243 HydrophobicContact CB-CG 4.5Å; P240-L243 HydrophobicContact CG-CD1 4.31Å; P240-L243 PolarHBondContact O-N 3.39Å; E241-L243 PolarHBondContact O-N 3.34Å; L243-V245 PolarHBondContact O-N 2.91Å; L243-V245 VanDerWaalsContact O-N 3.09Å; L243-S246 WeakPolarHBondContact O-CB 3.26Å; L243-S246 PolarHBondContact O-N 2.86Å; L243-I248 HydrophobicContact CB-CD1 3.87Å; L243-I248 WeakPolarHBondContact O-CD1 3.44Å; L243-L374 HydrophobicContact CD1-CD1 4.38Å; L243-L374 HydrophobicContact CD1-CD2 3.77Å; L243-L374 HydrophobicContact CD2-CD2 3.93Å; L243-F399 HydrophobicContact CD2-CD1 4.23Å; L243-F399 HydrophobicContact CD2-CE1 3.71Å; L243-F399 HydrophobicContact CD2-CZ 4.42Å; L243-Y401 HydrophobicContact CD1-CD2 3.84Å; L243-Y401 HydrophobicContact CD1-CE2 3.83Å; L243-Y401 HydrophobicContact CD1-CG 4.31Å; L243-Y401 HydrophobicContact CD2-CD2 3.88Å; L243-Y401 HydrophobicContact CD2-CE2 4.19Å; L243-Y401 HydrophobicContact CG-CD2 4.11Å; L243-Y401 HydrophobicContact CG-CE2 3.98Å; L243-F479 HydrophobicContact CD1-CE2 3.67Å; L243-F479 HydrophobicContact CD1-CZ 4.06Å
244	A	92.1	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.5	-176.6	0	0	0	0	0	114.3	N218 N222 F225 L239 P240 E241	N218-A244 PolarHBondContact ND2-O 2.78Å; N222-A244 PolarHBondContact N-O 2.9Å; N222-A244 WeakPolarHBondContact O-CB 3.37Å; F225-A244 HydrophobicContact CB-CB 4.35Å; L239-A244 HydrophobicContact CD2-CB 4.26Å; P240-A244 PolarHBondContact O-N 2.83Å; E241-A244 WeakPolarHBondContact O-CB 3.36Å; E241-A244 PolarHBondContact O-N 2.7Å
245	V	92.6	Very high	94.6	Very high	70 Å²	70	27.6 Å²	27.6	42%	0.424	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-0.9	176.8	-63.7	0	0	0	0	114.2	K221 P223 L243	K221-V245 WeakPolarHBondContact CD-O 3.29Å; P223-V245 HydrophobicContact CB-CG1 4.27Å; P223-V245 HydrophobicContact CG-CG1 3.73Å; L243-V245 PolarHBondContact O-N 2.91Å; L243-V245 VanDerWaalsContact O-N 3.09Å
246	S	93.3	Very high	94.4	Very high	25 Å²	25	29.4 Å²	29.4	18%	0.175	15%	0.149	C	C	.	.	S	Bend	trans	-90.3	153.7	-175.4	-65.2	0	0	0	0	112.3	N218 E242 L243 I248	N218-S246 PolarHBondContact ND2-O 3.41Å; E242-S246 PolarHBondContact O-OG 2.96Å; L243-S246 WeakPolarHBondContact O-CB 3.26Å; L243-S246 PolarHBondContact O-N 2.86Å; S246-I248 VanDerWaalsContact C-N 3.25Å; S246-I248 PolarHBondContact O-N 3.48Å
247	D	93.9	Very high	94	Very high	84 Å²	84	30.2 Å²	30.2	45%	0.449	15%	0.15	S	C	.	.	S	Bend	trans	-78	75.5	174.1	-66.5	-58.4	0	0	0	110.3	K221 L377	K221-D247 WeakPolarHBondContact CE-OD1 3.29Å; K221-D247 IonicContact NZ-OD1 3.97Å; K221-D247 PolarHBondContact NZ-OD1 2.85Å; K221-D247 IonicContact NZ-OD2 3.38Å; K221-D247 PolarHBondContact NZ-OD2 3.11Å; D247-L377 HydrophobicContact CB-CB 4.49Å; D247-L377 PolarHBondContact O-N 2.99Å
248	I	96.4	Very high	93.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	159.5	-172.7	56.9	159.9	0	0	0	112.5	W216 N218 L239 L243 S246 L374 L375 F399	W216-I248 HydrophobicContact CZ3-CD1 4.14Å; W216-I248 HydrophobicContact CZ3-CG1 4.32Å; N218-I248 HydrophobicContact CB-CG1 3.99Å; N218-I248 WeakPolarHBondContact CB-O 3.43Å; N218-I248 PolarHBondContact N-O 2.98Å; L239-I248 HydrophobicContact CD1-CD1 4.02Å; L239-I248 HydrophobicContact CD2-CD1 4.08Å; L243-I248 HydrophobicContact CB-CD1 3.87Å; L243-I248 WeakPolarHBondContact O-CD1 3.44Å; S246-I248 VanDerWaalsContact C-N 3.25Å; S246-I248 PolarHBondContact O-N 3.48Å; I248-L374 HydrophobicContact CB-CD1 4.02Å; I248-L374 HydrophobicContact CD1-CD1 3.67Å; I248-L374 HydrophobicContact CG1-CD1 4.44Å; I248-L374 HydrophobicContact CG2-CD1 4.28Å; I248-L374 HydrophobicContact CG2-CG 4.49Å; I248-L375 CarbonylContact C-O 3.55Å; I248-L375 VanDerWaalsContact CA-O 3.26Å; I248-L375 WeakPolarHBondContact CA-O 3.25Å; I248-F399 HydrophobicContact CG2-CB 4.3Å; I248-F399 HydrophobicContact CG2-CD1 4.16Å; I248-F399 HydrophobicContact CG2-CD2 3.45Å; I248-F399 VanDerWaalsContact CG2-CD2 3.45Å; I248-F399 HydrophobicContact CG2-CE1 4.33Å; I248-F399 HydrophobicContact CG2-CE2 3.65Å; I248-F399 HydrophobicContact CG2-CG 3.71Å; I248-F399 HydrophobicContact CG2-CZ 4.09Å
249	A	97.4	Very high	93.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.2	162.9	0	0	0	0	0	109.6	L188 W216 A217 L375 L377	L188-A249 HydrophobicContact CD1-CB 3.99Å; L188-A249 HydrophobicContact CD2-CB 3.69Å; W216-A249 CarbonylContact O-C 3.45Å; W216-A249 WeakPolarHBondContact O-CA 3.45Å; W216-A249 WeakPolarHBondContact O-CB 3.48Å; A217-A249 HydrophobicContact CB-CB 4.35Å; A249-L375 HydrophobicContact CB-CB 4.36Å; A249-L375 PolarHBondContact N-O 3.4Å; A249-L375 PolarHBondContact O-N 2.79Å; A249-L377 HydrophobicContact CB-CD1 4.22Å
250	V	97.6	Very high	93.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	128.7	172	175.2	0	0	0	0	107.8	W216 F237 L239 I252 Y372 L374 F479	W216-V250 HydrophobicContact CB-CB 4.49Å; W216-V250 HydrophobicContact CE3-CB 4.21Å; W216-V250 HydrophobicContact CE3-CG2 3.92Å; W216-V250 HydrophobicContact CZ3-CG2 4.3Å; W216-V250 PolarHBondContact N-O 3Å; W216-V250 PolarHBondContact O-N 3.16Å; F237-V250 HydrophobicContact CD1-CG1 3.95Å; F237-V250 HydrophobicContact CD2-CG1 4.39Å; F237-V250 HydrophobicContact CD2-CG2 4.33Å; F237-V250 HydrophobicContact CE1-CB 4.23Å; F237-V250 HydrophobicContact CE1-CG1 4.08Å; F237-V250 HydrophobicContact CE2-CB 4.43Å; F237-V250 HydrophobicContact CE2-CG2 3.96Å; F237-V250 HydrophobicContact CG-CG1 4.11Å; F237-V250 HydrophobicContact CZ-CB 4.17Å; F237-V250 HydrophobicContact CZ-CG1 4.38Å; F237-V250 HydrophobicContact CZ-CG2 4.13Å; L239-V250 HydrophobicContact CD1-CG2 4.38Å; V250-I252 HydrophobicContact CG1-CG1 4.47Å; V250-Y372 HydrophobicContact CG1-CD2 4.25Å; V250-Y372 HydrophobicContact CG1-CE2 3.66Å; V250-L374 HydrophobicContact CG2-CD1 4Å; V250-F479 HydrophobicContact CG1-CE1 4.47Å; V250-F479 HydrophobicContact CG2-CE1 4.3Å
251	R	97.1	Very high	93.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.9	173.1	168.6	-178.9	154.4	-140.4	5	109.1	L213 C214 L215 L253 D373 L375	L213-R251 HydrophobicContact CD1-CG 3.91Å; C214-R251 WeakPolarHBondContact O-CA 3.35Å; L215-R251 HydrophobicContact CD2-CB 3.7Å; L215-R251 HydrophobicContact CD2-CG 3.85Å; R251-L253 HydrophobicContact CG-CB 4.49Å; R251-D373 HydrophobicContact CB-CB 4.28Å; R251-D373 IonicContact CZ-OD2 2.74Å; R251-D373 PolarHBondContact N-O 3.08Å; R251-D373 IonicContact NE-OD2 3.25Å; R251-D373 PolarHBondContact NE-OD2 2.98Å; R251-D373 IonicContact NH1-OD2 3.51Å; R251-D373 PolarHBondContact NH1-OD2 3.47Å; R251-D373 IonicContact NH2-OD2 3.53Å; R251-D373 PolarHBondContact O-N 2.85Å; R251-L375 HydrophobicContact CB-CD1 3.97Å
252	I	97.5	Very high	92.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	106.5	164.8	-55.3	166.8	0	0	0	107.3	C214 F230 L235 F237 V250 Y371 Y372	C214-I252 HydrophobicContact CB-CB 4.18Å; C214-I252 PolarHBondContact N-O 3.4Å; C214-I252 PolarHBondContact O-N 3.14Å; F230-I252 HydrophobicContact CE2-CD1 4.36Å; L235-I252 HydrophobicContact CB-CD1 4.49Å; L235-I252 HydrophobicContact CD1-CG2 3.86Å; F237-I252 HydrophobicContact CB-CD1 4.46Å; F237-I252 HydrophobicContact CD1-CD1 4.37Å; V250-I252 HydrophobicContact CG1-CG1 4.47Å; I252-Y371 CarbonylContact C-O 3.52Å; I252-Y371 VanDerWaalsContact CA-O 3.26Å; I252-Y371 WeakPolarHBondContact CA-O 3.33Å; I252-Y372 HydrophobicContact CD1-CD2 4.37Å; I252-Y372 HydrophobicContact CD1-CE2 4.4Å; I252-Y372 HydrophobicContact CG1-CD2 3.69Å; I252-Y372 HydrophobicContact CG1-CE2 4.11Å
253	L	96.1	Very high	92.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.8	172.1	173.1	85.8	0	0	0	108.6	H180 V211 L213 R251 T255 Y371	H180-L253 HydrophobicContact CB-CD1 4.47Å; H180-L253 HydrophobicContact CB-CD2 3.91Å; V211-L253 HydrophobicContact CG1-CD1 3.23Å; V211-L253 HydrophobicContact CG1-CG 4.22Å; L213-L253 HydrophobicContact CB-CD1 4.17Å; L213-L253 HydrophobicContact CD1-CB 4.17Å; L213-L253 HydrophobicContact CD1-CD1 4.04Å; R251-L253 HydrophobicContact CG-CB 4.49Å; L253-T255 HydrophobicContact CD2-CG2 4.41Å; L253-Y371 HydrophobicContact CD2-CD2 4.04Å; L253-Y371 HydrophobicContact CD2-CG 4.39Å; L253-Y371 PolarHBondContact N-O 3.42Å; L253-Y371 PolarHBondContact O-N 3Å
254	H	96.4	Very high	92.3	Very high	9 Å²	9	20 Å²	20	4%	0.042	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	108.7	174.2	173.5	-148.4	0	0	0	109.5	V211 T212 L235 H256 G367 V369 F370 W436	V211-H254 CarbonylContact C-O 3.5Å; V211-H254 VanDerWaalsContact CA-O 3.29Å; V211-H254 WeakPolarHBondContact CA-O 3.45Å; T212-H254 PolarHBondContact N-O 3Å; T212-H254 PolarHBondContact O-N 2.83Å; L235-H254 HydrophobicContact CD1-CB 4.4Å; H254-H256 AromaticContact CE1-CD2 3.48Å; H254-H256 PolarHBondContact CE1-CD2 3.22Å; H254-H256 VanDerWaalsContact CE1-CD2 3.48Å; H254-H256 AromaticContact CE1-NE2 3.99Å; H254-H256 AromaticContact ND1-CD2 3.57Å; H254-H256 AromaticContact ND1-NE2 3.74Å; H254-H256 AromaticContact NE2-CD2 3.89Å; H254-G367 PolarHBondContact NE2-O 2.83Å; H254-V369 CarbonylContact C-O 3.56Å; H254-V369 WeakPolarHBondContact CA-O 3.25Å; H254-F370 HydrophobicContact CB-CD1 3.74Å; H254-F370 HydrophobicContact CB-CE1 3.8Å; H254-F370 AromaticContact CD2-CD1 3.74Å; H254-F370 AromaticContact CD2-CE1 3.31Å; H254-F370 WeakPolarHBondContact CD2-CE1 3.21Å; H254-F370 AromaticContact CD2-CZ 3.48Å; H254-F370 VanDerWaalsContact CD2-CZ 3.48Å; H254-F370 WeakPolarHBondContact CD2-CZ 3.38Å; H254-F370 AromaticContact CE1-CE1 3.99Å; H254-F370 AromaticContact CE1-CZ 3.99Å; H254-F370 AromaticContact CG-CD1 3.79Å; H254-F370 AromaticContact CG-CE1 3.37Å; H254-F370 AromaticContact CG-CZ 3.97Å; H254-F370 AromaticContact ND1-CE1 3.83Å; H254-F370 AromaticContact NE2-CE1 3.72Å; H254-F370 AromaticContact NE2-CZ 3.5Å; H254-W436 AromaticContact CE1-CZ2 3.93Å
255	T	93.9	Very high	91.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	131.6	167.9	59.7	0	0	0	0	108.5	V211 L253 Y257 G368 V369 Y371	V211-T255 HydrophobicContact CG2-CG2 4.36Å; L253-T255 HydrophobicContact CD2-CG2 4.41Å; T255-Y257 HydrophobicContact CG2-CE1 4.25Å; T255-Y257 HydrophobicContact CG2-CE2 4.42Å; T255-Y257 PolarHBondContact O-N 2.93Å; T255-Y257 VanDerWaalsContact O-N 3.13Å; T255-Y257 PolarHBondContact OG1-O 3.04Å; T255-G368 CarbonylContact O-C 3.53Å; T255-G368 WeakPolarHBondContact O-CA 3.29Å; T255-V369 PolarHBondContact N-O 2.9Å; T255-V369 PolarHBondContact O-N 3.13Å; T255-V369 WeakPolarHBondContact OG1-CB 3.39Å; T255-V369 PolarHBondContact OG1-O 3.27Å; T255-Y371 HydrophobicContact CG2-CE2 4.37Å
256	H	92.8	Very high	91.1	Very high	42 Å²	42	25 Å²	25	19%	0.194	12%	0.122	C	C	.	.	S	Bend	trans	-79.6	13.3	179	-54.2	167.7	0	0	0	112.6	K209 N210 T212 H254 W436	K209-H256 PolarHBondContact O-ND1 3.07Å; N210-H256 WeakPolarHBondContact O-CB 3.43Å; N210-H256 PolarHBondContact O-N 2.86Å; T212-H256 PolarHBondContact OG1-NE2 3.05Å; H254-H256 AromaticContact CE1-CD2 3.48Å; H254-H256 PolarHBondContact CE1-CD2 3.22Å; H254-H256 VanDerWaalsContact CE1-CD2 3.48Å; H254-H256 AromaticContact CE1-NE2 3.99Å; H254-H256 AromaticContact ND1-CD2 3.57Å; H254-H256 AromaticContact ND1-NE2 3.74Å; H254-H256 AromaticContact NE2-CD2 3.89Å; H256-W436 HydrophobicContact CB-CZ2 4.19Å; H256-W436 AromaticContact CD2-CH2 3.97Å; H256-W436 AromaticContact CD2-CZ2 3.69Å; H256-W436 AromaticContact CE1-CH2 3.76Å; H256-W436 AromaticContact CG-CZ2 3.68Å; H256-W436 AromaticContact ND1-CZ2 3.93Å; H256-W436 AromaticContact NE2-CH2 3.74Å; H256-W436 AromaticContact NE2-CZ2 3.97Å
257	Y	89.6	Confident	90.5	Very high	33 Å²	33	30.7 Å²	30.7	13%	0.129	14%	0.14	C	C	.	.	S	Bend	trans	-139.8	159.5	-179.7	57.5	-88.4	0	0	0	109.6	V143 L176 N210 V211 T255 H259	V143-Y257 HydrophobicContact CG1-CD1 3.99Å; V143-Y257 HydrophobicContact CG1-CE1 4.2Å; V143-Y257 HydrophobicContact CG1-CG 4.4Å; V143-Y257 HydrophobicContact CG2-CD1 4.15Å; V143-Y257 HydrophobicContact CG2-CE1 3.5Å; V143-Y257 VanDerWaalsContact CG2-CE1 3.5Å; V143-Y257 HydrophobicContact CG2-CE2 4.47Å; L176-Y257 HydrophobicContact CD2-CE2 4.42Å; L176-Y257 WeakPolarHBondContact CD2-OH 3.42Å; N210-Y257 HydrophobicContact CB-CD1 4.15Å; N210-Y257 HydrophobicContact CB-CE1 4.03Å; V211-Y257 HydrophobicContact CG2-CE1 4.2Å; T255-Y257 HydrophobicContact CG2-CE1 4.25Å; T255-Y257 HydrophobicContact CG2-CE2 4.42Å; T255-Y257 PolarHBondContact O-N 2.93Å; T255-Y257 VanDerWaalsContact O-N 3.13Å; T255-Y257 PolarHBondContact OG1-O 3.04Å; Y257-H259 HydrophobicContact CD2-CB 4.27Å; Y257-H259 AromaticContact CD2-ND1 3.73Å; Y257-H259 HydrophobicContact CE2-CB 4.22Å; Y257-H259 AromaticContact CE2-CG 3.99Å; Y257-H259 AromaticContact CE2-ND1 3.45Å; Y257-H259 WeakPolarHBondContact CE2-ND1 3.39Å
258	D	90.8	Very high	89.8	Confident	52 Å²	52	29.6 Å²	29.6	28%	0.278	13%	0.132	S	C	.	.			trans	-109.9	111.3	178.6	177.5	7.1	0	0	0	110.8	L260 S261 T365 V369	D258-L260 PolarHBondContact OD1-N 3.45Å; D258-S261 VanDerWaalsContact CG-OG 3.32Å; D258-S261 PolarHBondContact OD1-N 2.87Å; D258-S261 PolarHBondContact OD1-OG 3.36Å; D258-S261 WeakPolarHBondContact OD2-CB 3.28Å; D258-S261 PolarHBondContact OD2-OG 3.14Å; D258-T365 HydrophobicContact CB-CG2 3.96Å; D258-T365 WeakPolarHBondContact OD2-CB 3.38Å; D258-T365 PolarHBondContact OD2-OG1 2.86Å; D258-V369 HydrophobicContact CB-CG2 4.26Å
259	H	86.7	Confident	88.3	Confident	15 Å²	15	35.6 Å²	35.6	7%	0.069	16%	0.163	C	C	.	.			trans	-111	0.8	176.3	56.8	-71.9	0	0	0	112.9	Q173 Y257 I262 Y371	Q173-H259 HydrophobicContact CG-CB 4.3Å; Q173-H259 VanDerWaalsContact NE2-CB 3.33Å; Y257-H259 HydrophobicContact CD2-CB 4.27Å; Y257-H259 AromaticContact CD2-ND1 3.73Å; Y257-H259 HydrophobicContact CE2-CB 4.22Å; Y257-H259 AromaticContact CE2-CG 3.99Å; Y257-H259 AromaticContact CE2-ND1 3.45Å; Y257-H259 WeakPolarHBondContact CE2-ND1 3.39Å; H259-I262 WeakPolarHBondContact O-CG2 3.18Å; H259-Y371 AromaticContact CE1-CE2 3.77Å; H259-Y371 AromaticContact NE2-CE2 3.83Å; H259-Y371 AromaticContact NE2-CZ 3.69Å; H259-Y371 PolarHBondContact NE2-OH 2.99Å
260	L	90.3	Very high	86.4	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.052	19%	0.191	C	C	.	.	H	α-helix	trans	-98.7	-35.2	-178.9	-63.6	-176.1	0	0	0	112.3	D258 I262 L263 S264 V369 W448 W455 I481	D258-L260 PolarHBondContact OD1-N 3.45Å; L260-I262 PolarHBondContact O-N 3.45Å; L260-L263 HydrophobicContact CD2-CD1 4.06Å; L260-L263 WeakPolarHBondContact O-CB 3.19Å; L260-L263 PolarHBondContact O-N 2.99Å; L260-S264 PolarHBondContact O-N 3.22Å; L260-V369 HydrophobicContact CD1-CG1 3.93Å; L260-W448 HydrophobicContact CB-CD2 4.27Å; L260-W448 HydrophobicContact CB-CE3 4.07Å; L260-W448 HydrophobicContact CB-CH2 4.07Å; L260-W448 HydrophobicContact CB-CZ2 4.27Å; L260-W448 HydrophobicContact CB-CZ3 3.96Å; L260-W448 HydrophobicContact CD1-CB 4.42Å; L260-W448 HydrophobicContact CD1-CD2 3.93Å; L260-W448 HydrophobicContact CD1-CE3 4.39Å; L260-W448 HydrophobicContact CD1-CG 3.93Å; L260-W448 HydrophobicContact CD2-CZ2 4.42Å; L260-W448 VanDerWaalsContact O-CH2 3.26Å; L260-W448 WeakPolarHBondContact O-CH2 3.33Å; L260-W455 HydrophobicContact CB-CZ2 3.79Å; L260-W455 HydrophobicContact CD1-CH2 4.07Å; L260-W455 HydrophobicContact CD1-CZ2 4.11Å; L260-I481 HydrophobicContact CD1-CD1 4.21Å; L260-I481 HydrophobicContact CD1-CG2 3.74Å
261	S	90.8	Very high	83.9	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-30.9	178.9	-60.5	0	0	0	0	112.8	D258 L263 S264 R265 T365 W455	D258-S261 VanDerWaalsContact CG-OG 3.32Å; D258-S261 PolarHBondContact OD1-N 2.87Å; D258-S261 PolarHBondContact OD1-OG 3.36Å; D258-S261 WeakPolarHBondContact OD2-CB 3.28Å; D258-S261 PolarHBondContact OD2-OG 3.14Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-S264 PolarHBondContact O-N 2.82Å; S261-R265 WeakPolarHBondContact O-CG 3.34Å; S261-R265 PolarHBondContact O-N 3.11Å; S261-T365 PolarHBondContact OG-OG1 3.38Å; S261-W455 PolarHBondContact OG-NE1 2.75Å
262	I	82.9	Confident	80.9	Confident	26 Å²	26	56 Å²	56	13%	0.133	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-44.8	172.5	-170.1	165.8	0	0	0	110.5	L169 H259 L260 S264 R265 L266	L169-I262 HydrophobicContact CD1-CD1 4.17Å; L169-I262 HydrophobicContact CD2-CD1 4.33Å; H259-I262 WeakPolarHBondContact O-CG2 3.18Å; L260-I262 PolarHBondContact O-N 3.45Å; I262-S264 VanDerWaalsContact C-N 3.3Å; I262-S264 PolarHBondContact O-N 2.86Å; I262-R265 PolarHBondContact O-N 2.92Å; I262-L266 HydrophobicContact CG1-CD1 3.83Å; I262-L266 HydrophobicContact CG1-CG 4.4Å; I262-L266 VanDerWaalsContact O-CD1 3.29Å; I262-L266 WeakPolarHBondContact O-CD1 3.48Å; I262-L266 WeakPolarHBondContact O-CG 3.26Å; I262-L266 PolarHBondContact O-N 3.42Å
263	L	82.3	Confident	77.6	Confident	35 Å²	35	59 Å²	59	18%	0.183	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-39.5	177	-59	177.3	0	0	0	111.9	I170 L260 S261 L266 R267	I170-L263 HydrophobicContact CD1-CD2 4.34Å; I170-L263 HydrophobicContact CG1-CD2 4.12Å; L260-L263 HydrophobicContact CD2-CD1 4.06Å; L260-L263 WeakPolarHBondContact O-CB 3.19Å; L260-L263 PolarHBondContact O-N 2.99Å; S261-L263 VanDerWaalsContact C-N 3.35Å; L263-L266 PolarHBondContact O-N 2.83Å; L263-R267 WeakPolarHBondContact O-CG 3.03Å; L263-R267 PolarHBondContact O-N 3.45Å
264	S	87.8	Confident	74.8	Confident	9 Å²	9	63 Å²	63	6%	0.063	30%	0.304	C	S	.	.	H	α-helix	trans	-62.5	-48.9	175	-174.5	0	0	0	0	111.8	L260 S261 I262 L266 R267 H268 L360 G453	L260-S264 PolarHBondContact O-N 3.22Å; S261-S264 PolarHBondContact O-N 2.82Å; I262-S264 VanDerWaalsContact C-N 3.3Å; I262-S264 PolarHBondContact O-N 2.86Å; S264-L266 PolarHBondContact O-N 2.95Å; S264-R267 PolarHBondContact O-N 2.81Å; S264-H268 WeakPolarHBondContact O-CB 3.29Å; S264-H268 PolarHBondContact O-CD2 3.22Å; S264-H268 PolarHBondContact O-N 3.37Å; S264-L360 WeakPolarHBondContact OG-CD1 3.24Å; S264-G453 VanDerWaalsContact CA-O 3.3Å; S264-G453 WeakPolarHBondContact CA-O 3.49Å; S264-G453 WeakPolarHBondContact CB-O 3.43Å; S264-G453 PolarHBondContact OG-O 2.86Å
265	R	83.7	Confident	71.9	Confident	114 Å²	114	67.9 Å²	67.9	43%	0.43	33%	0.334	S	S	.	.	H	α-helix	trans	-61.7	-33.7	-179.8	-70.3	179.5	-166.9	111.9	1.1	112.5	S261 I262 H268 L269 L360	S261-R265 WeakPolarHBondContact O-CG 3.34Å; S261-R265 PolarHBondContact O-N 3.11Å; I262-R265 PolarHBondContact O-N 2.92Å; R265-H268 CarbonylContact O-C 3.59Å; R265-L269 PolarHBondContact O-N 3.07Å; R265-L360 HydrophobicContact CG-CD1 4.31Å
266	L	75.6	Confident	69	Low	61 Å²	61	75.7 Å²	75.7	32%	0.319	37%	0.37	S	S	.	.	H	α-helix	trans	-76.7	-40.4	-179.1	-69.1	163.3	0	0	0	112.9	H166 I262 L263 S264 H268	H166-L266 WeakPolarHBondContact CE1-CD1 3.37Å; I262-L266 HydrophobicContact CG1-CD1 3.83Å; I262-L266 HydrophobicContact CG1-CG 4.4Å; I262-L266 VanDerWaalsContact O-CD1 3.29Å; I262-L266 WeakPolarHBondContact O-CD1 3.48Å; I262-L266 WeakPolarHBondContact O-CG 3.26Å; I262-L266 PolarHBondContact O-N 3.42Å; L263-L266 PolarHBondContact O-N 2.83Å; S264-L266 PolarHBondContact O-N 2.95Å; L266-H268 PolarHBondContact O-N 3.19Å
267	R	80.9	Confident	66.1	Low	145 Å²	145	82 Å²	82	55%	0.547	40%	0.4	S	S	.	.	H	α-helix	trans	-67.4	-30.8	175.1	-72.9	-177.7	-176	-172.1	3.8	111.9	L263 S264	L263-R267 WeakPolarHBondContact O-CG 3.03Å; L263-R267 PolarHBondContact O-N 3.45Å; S264-R267 PolarHBondContact O-N 2.81Å
268	H	79.1	Confident	63.4	Low	61 Å²	61	87.4 Å²	87.4	28%	0.282	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	61.3	-170.8	-52.2	-61.1	0	0	0	110.4	S264 R265 L266 E452 R454	S264-H268 WeakPolarHBondContact O-CB 3.29Å; S264-H268 PolarHBondContact O-CD2 3.22Å; S264-H268 PolarHBondContact O-N 3.37Å; R265-H268 CarbonylContact O-C 3.59Å; L266-H268 PolarHBondContact O-N 3.19Å; H268-E452 PolarHBondContact CE1-O 2.84Å; H268-E452 PolarHBondContact NE2-O 2.78Å; H268-R454 VanDerWaalsContact CD2-CG 3.4Å; H268-R454 WeakPolarHBondContact CD2-CG 3.36Å; H268-R454 PolarHBondContact CD2-NE 3.18Å; H268-R454 PolarHBondContact CE1-NE 3.47Å; H268-R454 PolarHBondContact CE1-NH2 2.86Å; H268-R454 VanDerWaalsContact CG-NE 3.27Å; H268-R454 PolarHBondContact ND1-NE 3.41Å; H268-R454 PolarHBondContact ND1-NH2 3.38Å; H268-R454 VanDerWaalsContact NE2-CG 3.31Å; H268-R454 WeakPolarHBondContact NE2-CG 3.3Å; H268-R454 PolarHBondContact NE2-NE 3Å
269	L	65.3	Low	60.7	Low	125 Å²	125	89.9 Å²	89.9	65%	0.654	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-62.4	140.5	174.1	-75.8	165.2	0	0	0	110.2	R265 Q271	R265-L269 PolarHBondContact O-N 3.07Å; L269-Q271 PolarHBondContact O-N 2.81Å
270	P	56.9	Low	58.1	Low	90 Å²	90	94.7 Å²	94.7	58%	0.584	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-52.6	126.9	170.2	-20.3	29.7	0	0	0	109.7	F348	P270-F348 HydrophobicContact CB-CB 4.22Å; P270-F348 HydrophobicContact CB-CD1 4.42Å; P270-F348 HydrophobicContact CB-CD2 4.49Å; P270-F348 HydrophobicContact CB-CG 4.14Å
271	Q	44.9	Very low	55.4	Low	153 Å²	153	99.8 Å²	99.8	72%	0.715	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-64.2	153.9	177.4	-68	-169.9	5.1	0	0	110.6	L269 F348	L269-Q271 PolarHBondContact O-N 2.81Å; Q271-F348 WeakPolarHBondContact O-CD1 3.26Å; Q271-F348 WeakPolarHBondContact O-CE1 3.15Å
272	K	34.9	Very low	52.5	Low	190 Å²	190	104.4 Å²	104.4	83%	0.826	55%	0.553	S	S	*	*			trans	-43.5	157.1	-171	-77.4	179	179.3	178.2	0	116.7
273	P	28.7	Very low	49.9	Very low	63 Å²	63	112.4 Å²	112.4	41%	0.409	59%	0.59	S	S	.	*			trans	-48.7	139.7	174	-30	37.7	0	0	0	113.9	V275 P346 F348	P273-V275 VanDerWaalsContact C-N 3.32Å; P273-V275 PolarHBondContact O-N 3.23Å; P273-P346 HydrophobicContact CB-CB 3.44Å; P273-P346 VanDerWaalsContact CB-CB 3.44Å; P273-P346 HydrophobicContact CG-CB 3.63Å; P273-P346 HydrophobicContact CG-CG 4.23Å; P273-F348 HydrophobicContact CG-CE1 4.02Å; P273-F348 HydrophobicContact CG-CZ 4.41Å
274	I	37.3	Very low	47.5	Very low	87 Å²	87	119.2 Å²	119.2	45%	0.446	62%	0.621	S	S	.	*			trans	-65	99.9	153	-60.5	169.9	0	0	0	106.5	E276 E347 E349	I274-E276 HydrophobicContact CG2-CG 4.47Å; I274-E276 PolarHBondContact O-N 3Å; I274-E347 HydrophobicContact CD1-CB 4.39Å; I274-E347 WeakPolarHBondContact CG1-O 3.26Å; I274-E349 HydrophobicContact CD1-CG 4.18Å
275	V	35.5	Very low	44.6	Very low	111 Å²	111	124.8 Å²	124.8	67%	0.673	66%	0.657	S	S	*	*			trans	-77.1	109.6	152.5	180	0	0	0	0	104.2	P273 E277	P273-V275 VanDerWaalsContact C-N 3.32Å; P273-V275 PolarHBondContact O-N 3.23Å; V275-E277 VanDerWaalsContact C-N 3.25Å; V275-E277 PolarHBondContact O-N 3.08Å
276	E	33.1	Very low	41.8	Very low	166 Å²	166	128.4 Å²	128.4	78%	0.776	68%	0.678	S	S	*	*			trans	-57.6	101.7	157.5	-83.1	-172.8	152.8	0	0	105.8	I274 I278	I274-E276 HydrophobicContact CG2-CG 4.47Å; I274-E276 PolarHBondContact O-N 3Å; E276-I278 PolarHBondContact O-N 2.81Å
277	E	30.8	Very low	39.5	Very low	176 Å²	176	134.5 Å²	134.5	82%	0.822	71%	0.705	S	S	*	*			trans	-59.7	97.9	163.3	-79.9	-172	167.1	0	0	106.1	V275 P279	V275-E277 VanDerWaalsContact C-N 3.25Å; V275-E277 PolarHBondContact O-N 3.08Å; E277-P279 WeakPolarHBondContact O-CD 3.28Å
278	I	33.9	Very low	36.7	Very low	145 Å²	145	133.6 Å²	133.6	74%	0.744	72%	0.716	S	S	*	*			trans	-52.2	115.3	165.4	-60.3	171.1	0	0	0	105.1	E276	E276-I278 PolarHBondContact O-N 2.81Å
279	P	34	Very low	34.2	Very low	104 Å²	104	142.1 Å²	142.1	68%	0.675	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-59	133	175.7	-16.7	28.6	0	0	0	106.9	E277	E277-P279 WeakPolarHBondContact O-CD 3.28Å
280	P	31.9	Very low	32.2	Very low	117 Å²	117	142.8 Å²	142.8	76%	0.76	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-54.5	135.1	176.3	20.4	-29.8	0	0	0	108.7	A282	P280-A282 PolarHBondContact O-N 3.17Å
281	P	32.2	Very low	30.7	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-56.1	132.7	-177.2	19.3	-29.7	0	0	0	109.8	Q283	P281-Q283 PolarHBondContact O-N 3.42Å; P281-Q283 VanDerWaalsContact O-N 3.14Å
282	A	31.4	Very low	29.7	Very low	98 Å²	98	142.9 Å²	142.9	81%	0.81	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-49.7	120.2	178	0	0	0	0	0	110.3	P280 Q284	P280-A282 PolarHBondContact O-N 3.17Å; A282-Q284 PolarHBondContact O-N 3.42Å
283	Q	28.3	Very low	29.2	Very low	194 Å²	194	141.3 Å²	141.3	91%	0.907	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-61	117	173.6	-70	174	-19.2	0	0	109.3	P281	P281-Q283 PolarHBondContact O-N 3.42Å; P281-Q283 VanDerWaalsContact O-N 3.14Å
284	Q	30.6	Very low	29	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-78.7	152	155.1	-73.8	-170.1	-3.9	0	0	109.2	A282	A282-Q284 PolarHBondContact O-N 3.42Å
285	P	26.9	Very low	28.3	Very low	126 Å²	126	148.2 Å²	148.2	82%	0.818	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-68.5	141.7	-159.7	-9.5	22.8	0	0	0	113.5
286	E	25.6	Very low	27.7	Very low	190 Å²	190	149.4 Å²	149.4	89%	0.888	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-58.9	127.6	172.1	-66.1	-174.9	149.9	0	0	112.4
287	E	26.2	Very low	27.2	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	81%	0.806	S	S	*	*			trans	-98.4	113.4	149.6	-82.3	-167.2	169.2	0	0	109.4	R289	E287-R289 PolarHBondContact O-N 3.37Å
288	T	23.9	Very low	26.7	Very low	126 Å²	126	148.1 Å²	148.1	77%	0.773	80%	0.802	S	S	*	*			trans	-50.4	123.5	173.8	-15.2	0	0	0	0	113.1
289	R	26.7	Very low	26.3	Very low	241 Å²	241	149 Å²	149	91%	0.909	81%	0.807	S	S	*	*			trans	-139.6	132	149.9	-71.2	-166.4	-179.5	-178.5	2	111.8	E287	E287-R289 PolarHBondContact O-N 3.37Å
290	V	22.9	Very low	25.8	Very low	139 Å²	139	150.1 Å²	150.1	84%	0.842	81%	0.812	S	S	*	*			trans	-89.5	139.4	-171	168.4	0	0	0	0	111.6
291	G	24.1	Very low	25.4	Very low	65 Å²	65	152.4 Å²	152.4	67%	0.67	82%	0.818	S	S	*	*			trans	75.7	150.1	151.2	0	0	0	0	0	116.7
292	Q	24.4	Very low	25.1	Very low	180 Å²	180	156.1 Å²	156.1	84%	0.841	83%	0.825	S	S	*	*			cis	-174.1	134.2	5.2	-116.3	176.1	-14	0	0	106.4
293	N	25	Very low	24.7	Very low	157 Å²	157	159.1 Å²	159.1	84%	0.84	83%	0.827	S	S	*	*				154.2	122.8	127.4	-82.4	-16	0	0	0	113.9
294	K	24.1	Very low	24.6	Very low	166 Å²	166	158.5 Å²	158.5	72%	0.722	83%	0.83	S	S	*	*			trans	-80	152.3	172.7	-76.5	179.8	161.5	-158.5	0	111.5	E296	K294-E296 IonicContact NZ-OE1 3.85Å; K294-E296 PolarHBondContact NZ-OE1 2.99Å
295	S	22.8	Very low	24.2	Very low	129 Å²	129	158.8 Å²	158.8	90%	0.902	83%	0.828	S	S	*	*			trans	-146.7	119.4	142.6	-75.1	0	0	0	0	108.7
296	E	22.9	Very low	24.1	Very low	135 Å²	135	160.5 Å²	160.5	63%	0.631	83%	0.825	S	S	*	*			trans	-89.1	149.3	176.1	-77.3	160.3	-173.8	0	0	109.9	K294	K294-E296 IonicContact NZ-OE1 3.85Å; K294-E296 PolarHBondContact NZ-OE1 2.99Å
297	L	22.3	Very low	23.9	Very low	173 Å²	173	161.7 Å²	161.7	91%	0.906	83%	0.827	S	S	*	*			trans	-147.8	108.3	151.3	-105.8	155.1	0	0	0	109.2
298	L	21.2	Very low	23.6	Very low	142 Å²	142	161.9 Å²	161.9	74%	0.743	83%	0.828	S	S	*	*			trans	-83.6	141.6	169.7	-75.8	145.6	0	0	0	109.7
299	I	24.1	Very low	23.6	Very low	164 Å²	164	164.1 Å²	164.1	84%	0.841	83%	0.834	S	S	*	*			trans	-138.2	126.6	148.6	-59.1	-176.7	0	0	0	109.8
300	T	23.5	Very low	23.3	Very low	127 Å²	127	159.7 Å²	159.7	78%	0.779	83%	0.828	S	S	*	*			trans	-86.8	144.8	-179.3	-11.3	0	0	0	0	111.2
301	N	24.2	Very low	23.2	Very low	165 Å²	165	162 Å²	162	88%	0.882	83%	0.827	S	S	*	*			trans	-88.1	135.6	168.4	-77.5	-30.3	0	0	0	110.9
302	Q	25.3	Very low	23.1	Very low	196 Å²	196	166.9 Å²	166.9	92%	0.916	83%	0.832	S	S	*	*			trans	-133.2	138.7	165.9	-95.5	-173.4	-15	0	0	110.6
303	D	24.2	Very low	23.2	Very low	160 Å²	160	163.6 Å²	163.6	86%	0.856	83%	0.829	S	S	*	*			trans	-62.1	148	177.6	-69.6	-56	0	0	0	115.2
304	L	24.9	Very low	23.1	Very low	182 Å²	182	162.5 Å²	162.5	95%	0.953	83%	0.828	S	S	*	*			trans	-150.3	138.7	145.8	-85.4	178.3	0	0	0	111.4
305	K	23.8	Very low	23.1	Very low	183 Å²	183	162.5 Å²	162.5	80%	0.796	83%	0.834	S	S	*	*			trans	-87.3	151.4	-173.5	-87	-176.6	171.7	-169.8	0	115.6
306	E	23.3	Very low	23.2	Very low	163 Å²	163	161.4 Å²	161.4	76%	0.762	82%	0.824	S	S	*	*			trans	60	121.6	141.7	-72.9	171.2	-158.3	0	0	122.5
307	K	21.9	Very low	23.5	Very low	214 Å²	214	159.5 Å²	159.5	93%	0.93	83%	0.831	S	S	*	*				-162.6	134.8	124.6	-107.9	173.3	-175.7	-178.2	0	112.7
308	Q	20.4	Very low	23.7	Very low	192 Å²	192	160.2 Å²	160.2	90%	0.897	83%	0.83	S	S	*	*			trans	-63.3	142.2	171.7	-70.9	172.7	-52.7	0	0	113
309	I	22.9	Very low	24	Very low	174 Å²	174	158.9 Å²	158.9	89%	0.892	83%	0.828	S	S	*	*			trans	-149.2	137.1	139.6	-59.5	-171.8	0	0	0	109.2
310	D	20.3	Very low	24.4	Very low	147 Å²	147	159.5 Å²	159.5	79%	0.786	83%	0.827	S	S	*	*			trans	-72	159.3	180	-79.8	-47.7	0	0	0	116.3
311	K	21.7	Very low	24.5	Very low	187 Å²	187	161.8 Å²	161.8	81%	0.813	83%	0.829	S	S	*	*			trans	90.5	133.2	149.8	-79.5	177.6	-175	-170.6	0	122.4
312	E	21	Very low	24.8	Very low	168 Å²	168	160.2 Å²	160.2	79%	0.785	82%	0.82	S	S	*	*			trans	84.6	99.9	148.9	-79.6	169.1	179.5	0	0	120.5
313	S	26.9	Very low	25.1	Very low	111 Å²	111	155.1 Å²	155.1	78%	0.776	81%	0.806	S	S	*	*			trans	-6.8	113.2	142.6	53.8	0	0	0	0	118.1
314	V	23.8	Very low	25.3	Very low	134 Å²	134	149.4 Å²	149.4	81%	0.812	79%	0.785	S	S	*	*			trans	-152.8	121.3	142.6	-177.2	0	0	0	0	107.8
315	I	23.4	Very low	25.5	Very low	166 Å²	166	147 Å²	147	85%	0.851	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-86.8	123.4	169.9	-59.3	168.8	0	0	0	107.3
316	P	24.5	Very low	26.1	Very low	106 Å²	106	143.6 Å²	143.6	69%	0.688	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-90.7	129.5	167	15.5	0.8	0	0	0	110.8	Q318	P316-Q318 PolarHBondContact O-N 2.73Å
317	A	29.3	Very low	26.5	Very low	95 Å²	95	137.9 Å²	137.9	79%	0.785	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-56.9	124.7	171.3	0	0	0	0	0	111.8
318	Q	27.6	Very low	26.9	Very low	188 Å²	188	130.4 Å²	130.4	88%	0.879	71%	0.71	S	S	*	*			trans	-129.5	81.1	160.6	-70.6	-173.7	1.6	0	0	106.9	P316	P316-Q318 PolarHBondContact O-N 2.73Å
319	T	28	Very low	27.6	Very low	114 Å²	114	127.3 Å²	127.3	70%	0.699	70%	0.699	S	S	*	*			trans	-134	1.1	175.6	-33.7	0	0	0	0	112.1
320	E	31.4	Very low	28.4	Very low	178 Å²	178	123.7 Å²	123.7	83%	0.832	69%	0.685	S	S	*	*	S	Bend	trans	-82.1	-22.9	-178.9	-70	-168.5	158.9	0	0	113.8	S323	E320-S323 PolarHBondContact O-OG 3.06Å
321	E	26.6	Very low	29.4	Very low	175 Å²	175	119.5 Å²	119.5	82%	0.818	66%	0.662	S	S	*	*	S	Bend	trans	-85.5	-17.7	-174.9	-74.8	-171.7	157.5	0	0	115.4
322	L	28.6	Very low	30	Very low	131 Å²	131	113.8 Å²	113.8	69%	0.686	65%	0.645	S	S	*	*	S	Bend	trans	-82.5	-19	176.4	-100.5	92.4	0	0	0	113.8	G324	L322-G324 PolarHBondContact O-N 3.49Å
323	S	32	Very low	30.5	Very low	89 Å²	89	113.1 Å²	113.1	62%	0.622	65%	0.647	S	S	*	*	H	α-helix	trans	-68.8	-32.9	-175.8	77.3	0	0	0	0	112.8	E320	E320-S323 PolarHBondContact O-OG 3.06Å
324	G	29.8	Very low	30.7	Very low	40 Å²	40	110.5 Å²	110.5	41%	0.412	64%	0.637	S	S	.	*	H	α-helix	trans	-80	-27.3	180	0	0	0	0	0	114.6	L322 S328	L322-G324 PolarHBondContact O-N 3.49Å; G324-S328 WeakPolarHBondContact O-CB 3.47Å; G324-S328 PolarHBondContact O-N 3.2Å; G324-S328 VanDerWaalsContact O-N 3.1Å
325	H	29.3	Very low	31.2	Very low	132 Å²	132	109.8 Å²	109.8	61%	0.611	64%	0.636	S	S	*	*	H	α-helix	trans	-77.1	-36.1	-171.9	-90.3	71.5	0	0	0	113.3	L329	H325-L329 WeakPolarHBondContact O-CB 3.31Å; H325-L329 VanDerWaalsContact O-CD1 3.3Å; H325-L329 WeakPolarHBondContact O-CD1 3.24Å; H325-L329 WeakPolarHBondContact O-CG 3.36Å; H325-L329 PolarHBondContact O-N 3.1Å; H325-L329 VanDerWaalsContact O-N 3.14Å
326	I	35.4	Very low	31.6	Very low	111 Å²	111	107 Å²	107	57%	0.569	63%	0.631	S	S	*	*	H	α-helix	trans	-75.6	-37.8	-179.1	-61.3	176.6	0	0	0	111.1	V330	I326-V330 WeakPolarHBondContact O-CG2 3.38Å
327	C	32.4	Very low	32	Very low	43 Å²	43	111.3 Å²	111.3	29%	0.291	64%	0.639	S	S	.	*	H	α-helix	trans	-78.9	-27.9	179.1	-136.4	0	0	0	0	113.2	R76 E80	R76-C327 PolarHBondContact NH1-O 3Å; E80-C327 PolarHBondContact OE1-SG 3.34Å; E80-C327 VanDerWaalsContact OE1-SG 3.4Å
328	S	29.6	Very low	31.9	Very low	57 Å²	57	113.8 Å²	113.8	40%	0.399	64%	0.638	S	S	.	*	H	α-helix	trans	-69.9	-47.8	172.3	-174.6	0	0	0	0	111.6	G324 V330 L331 S332	G324-S328 WeakPolarHBondContact O-CB 3.47Å; G324-S328 PolarHBondContact O-N 3.2Å; G324-S328 VanDerWaalsContact O-N 3.1Å; S328-V330 PolarHBondContact O-N 3.48Å; S328-V330 VanDerWaalsContact O-N 3.11Å; S328-L331 PolarHBondContact O-N 2.91Å; S328-L331 VanDerWaalsContact O-N 3.07Å; S328-S332 VanDerWaalsContact O-CB 3.28Å; S328-S332 WeakPolarHBondContact O-CB 3.29Å; S328-S332 PolarHBondContact O-N 3.27Å; S328-S332 PolarHBondContact O-OG 2.84Å; S328-S332 PolarHBondContact OG-OG 3.37Å
329	L	34.7	Very low	31.9	Very low	127 Å²	127	112.2 Å²	112.2	67%	0.665	64%	0.636	S	S	*	*	H	α-helix	trans	-62.6	-22.3	-176.5	-79.6	166.4	0	0	0	115	H325	H325-L329 WeakPolarHBondContact O-CB 3.31Å; H325-L329 VanDerWaalsContact O-CD1 3.3Å; H325-L329 WeakPolarHBondContact O-CD1 3.24Å; H325-L329 WeakPolarHBondContact O-CG 3.36Å; H325-L329 PolarHBondContact O-N 3.1Å; H325-L329 VanDerWaalsContact O-N 3.14Å
330	V	39.8	Very low	32.2	Very low	99 Å²	99	111.7 Å²	111.7	60%	0.6	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-20.2	179.3	-179.7	0	0	0	0	112	I326 S328	I326-V330 WeakPolarHBondContact O-CG2 3.38Å; S328-V330 PolarHBondContact O-N 3.48Å; S328-V330 VanDerWaalsContact O-N 3.11Å
331	L	41.8	Very low	32.1	Very low	59 Å²	59	110.2 Å²	110.2	31%	0.309	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-140.5	5.7	-167	-63.9	167.4	0	0	0	115.3	R76 S328	R76-L331 HydrophobicContact CB-CD1 4.23Å; R76-L331 HydrophobicContact CG-CD1 4.09Å; R76-L331 VanDerWaalsContact NH1-CD1 3.28Å; S328-L331 PolarHBondContact O-N 2.91Å; S328-L331 VanDerWaalsContact O-N 3.07Å
332	S	34.5	Very low	32	Very low	66 Å²	66	106.7 Å²	106.7	46%	0.462	63%	0.629	S	S	.	*	S	Bend	trans	-104.9	3	-174.8	71.7	0	0	0	0	117.1	S328	S328-S332 VanDerWaalsContact O-CB 3.28Å; S328-S332 WeakPolarHBondContact O-CB 3.29Å; S328-S332 PolarHBondContact O-N 3.27Å; S328-S332 PolarHBondContact O-OG 2.84Å; S328-S332 PolarHBondContact OG-OG 3.37Å
333	D	31.1	Very low	31.9	Very low	155 Å²	155	105.5 Å²	105.5	83%	0.829	63%	0.629	S	S	*	*	S	Bend	trans	-132.1	123.8	175.2	-91.7	-33.1	0	0	0	112.4
334	G	31.7	Very low	31.6	Very low	55 Å²	55	106.8 Å²	106.8	57%	0.567	64%	0.635	S	S	*	*			trans	-60.3	154.5	168.5	0	0	0	0	0	111.4	S336	G334-S336 PolarHBondContact O-N 3.02Å
335	P	34.3	Very low	31.8	Very low	120 Å²	120	109.8 Å²	109.8	78%	0.779	65%	0.645	S	S	*	*	S	Bend	trans	-72.9	5.4	-165.1	29.1	-34.3	0	0	0	115.1	K337	P335-K337 PolarHBondContact O-N 3.24Å
336	S	31.5	Very low	31.8	Very low	106 Å²	106	105.8 Å²	105.8	74%	0.741	63%	0.63	S	S	*	*	S	Bend	trans	-97.4	72.1	-175.6	45.1	0	0	0	0	112.5	G334	G334-S336 PolarHBondContact O-N 3.02Å
337	K	33.1	Very low	32	Very low	198 Å²	198	107.6 Å²	107.6	86%	0.861	64%	0.637	S	S	*	*	S	Bend	trans	136.6	73.2	156.9	-81.8	175.4	174.3	173.9	0	112.3	P335	P335-K337 PolarHBondContact O-N 3.24Å
338	L	26.7	Very low	32.5	Very low	147 Å²	147	109.2 Å²	109.2	77%	0.77	64%	0.639	S	S	*	*			trans	-156.1	88.4	147.5	-146.1	75.3	0	0	0	108.4
339	N	27.8	Very low	32.9	Very low	155 Å²	155	112.3 Å²	112.3	83%	0.829	65%	0.647	S	S	*	*			trans	-65.7	133.7	169.3	-84.4	-12.5	0	0	0	109
340	S	34.8	Very low	33.6	Very low	103 Å²	103	111.6 Å²	111.6	72%	0.72	64%	0.64	S	S	*	*			trans	49.5	85.8	157	64.3	0	0	0	0	116.5
341	L	27.6	Very low	33.8	Very low	146 Å²	146	114.5 Å²	114.5	76%	0.764	65%	0.645	S	S	*	*			trans	-133.1	60.7	150.8	-73.5	171.6	0	0	0	109.2
342	S	25.4	Very low	34.3	Very low	102 Å²	102	116.4 Å²	116.4	71%	0.713	65%	0.652	S	S	*	*	S	Bend	trans	-76.4	123.5	136.1	-38.9	0	0	0	0	104.2
343	P	25.6	Very low	35.4	Very low	106 Å²	106	121.3 Å²	121.3	69%	0.688	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-53.3	130.1	157	-6.3	18	0	0	0	105.5	V345	P343-V345 PolarHBondContact O-N 2.87Å
344	P	27	Very low	37.6	Very low	115 Å²	115	117 Å²	117	75%	0.747	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-53	120.8	164.5	21.9	-28.5	0	0	0	105.3	P346	P344-P346 WeakPolarHBondContact O-CD 3.39Å
345	V	33.2	Very low	40	Very low	104 Å²	104	119.5 Å²	119.5	63%	0.63	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-55.7	116.5	165.1	177.2	0	0	0	0	103.2	P343 E347	P343-V345 PolarHBondContact O-N 2.87Å; V345-E347 PolarHBondContact O-N 2.97Å
346	P	30.4	Very low	42.7	Very low	47 Å²	47	117.2 Å²	117.2	31%	0.305	63%	0.633	S	S	.	*			trans	-58.6	111.3	-179.3	22.6	-31.7	0	0	0	107.4	P273 P344 F348	P273-P346 HydrophobicContact CB-CB 3.44Å; P273-P346 VanDerWaalsContact CB-CB 3.44Å; P273-P346 HydrophobicContact CG-CB 3.63Å; P273-P346 HydrophobicContact CG-CG 4.23Å; P344-P346 WeakPolarHBondContact O-CD 3.39Å; P346-F348 HydrophobicContact CB-CE1 4.35Å; P346-F348 HydrophobicContact CB-CE2 4.35Å; P346-F348 HydrophobicContact CB-CZ 4.13Å; P346-F348 HydrophobicContact CG-CE2 3.87Å; P346-F348 HydrophobicContact CG-CZ 3.81Å; P346-F348 WeakPolarHBondContact O-CD2 3.28Å; P346-F348 PolarHBondContact O-N 3.43Å
347	E	38.3	Very low	45.7	Very low	150 Å²	150	113 Å²	113	70%	0.701	60%	0.603	S	S	*	*			trans	-65.2	109.2	169.9	-91.1	-180	163.5	0	0	106.2	I274 V345	I274-E347 HydrophobicContact CD1-CB 4.39Å; I274-E347 WeakPolarHBondContact CG1-O 3.26Å; V345-E347 PolarHBondContact O-N 2.97Å
348	F	42.8	Very low	48.6	Very low	76 Å²	76	103.9 Å²	103.9	33%	0.333	56%	0.564	S	S	.	*			trans	-87	107.7	169.5	-62.4	-63.2	0	0	0	106.5	P270 Q271 P273 P346 E350	P270-F348 HydrophobicContact CB-CB 4.22Å; P270-F348 HydrophobicContact CB-CD1 4.42Å; P270-F348 HydrophobicContact CB-CD2 4.49Å; P270-F348 HydrophobicContact CB-CG 4.14Å; Q271-F348 WeakPolarHBondContact O-CD1 3.26Å; Q271-F348 WeakPolarHBondContact O-CE1 3.15Å; P273-F348 HydrophobicContact CG-CE1 4.02Å; P273-F348 HydrophobicContact CG-CZ 4.41Å; P346-F348 HydrophobicContact CB-CE1 4.35Å; P346-F348 HydrophobicContact CB-CE2 4.35Å; P346-F348 HydrophobicContact CB-CZ 4.13Å; P346-F348 HydrophobicContact CG-CE2 3.87Å; P346-F348 HydrophobicContact CG-CZ 3.81Å; P346-F348 WeakPolarHBondContact O-CD2 3.28Å; P346-F348 PolarHBondContact O-N 3.43Å; F348-E350 PolarHBondContact O-N 3.44Å; F348-E350 VanDerWaalsContact O-N 3.13Å
349	E	38.9	Very low	51.7	Low	123 Å²	123	98.6 Å²	98.6	58%	0.575	54%	0.536	S	S	*	.			trans	-64.1	110.8	166.5	-86.2	-176.3	174.8	0	0	108.3	I274 K351	I274-E349 HydrophobicContact CD1-CG 4.18Å; E349-K351 HydrophobicContact CB-CG 4.28Å; E349-K351 PolarHBondContact O-N 3.16Å; E349-K351 WeakPolarHBondContact OE2-CE 3.39Å; E349-K351 IonicContact OE2-NZ 3.86Å
350	E	48.9	Very low	54.7	Low	111 Å²	111	92.2 Å²	92.2	52%	0.519	50%	0.502	S	S	.	.			trans	-68.3	86.8	159.5	-72.8	-179.4	-178.1	0	0	107.3	F348 E352 N359	F348-E350 PolarHBondContact O-N 3.44Å; F348-E350 VanDerWaalsContact O-N 3.13Å; E350-E352 PolarHBondContact O-N 2.73Å; E350-N359 PolarHBondContact OE2-ND2 2.75Å
351	K	43.3	Very low	57.3	Low	160 Å²	160	89.1 Å²	89.1	70%	0.696	48%	0.479	S	S	*	.			trans	-74.5	62.8	168.3	-73.8	-171.2	-180	175.3	0	110.1	E349	E349-K351 HydrophobicContact CB-CG 4.28Å; E349-K351 PolarHBondContact O-N 3.16Å; E349-K351 WeakPolarHBondContact OE2-CE 3.39Å; E349-K351 IonicContact OE2-NZ 3.86Å
352	E	53.5	Low	60.4	Low	99 Å²	99	84.8 Å²	84.8	46%	0.463	46%	0.455	S	S	.	.			trans	-125.8	88.9	170.8	-65.5	-165.7	172	0	0	109	E350 D354 R454	E350-E352 PolarHBondContact O-N 2.73Å; E352-D354 PolarHBondContact O-N 3.49Å; E352-R454 IonicContact OE1-CZ 2.7Å; E352-R454 IonicContact OE1-NH1 3.72Å; E352-R454 PolarHBondContact OE1-NH1 3.13Å; E352-R454 IonicContact OE1-NH2 2.85Å; E352-R454 PolarHBondContact OE1-NH2 2.86Å; E352-R454 IonicContact OE2-CZ 3.87Å; E352-R454 IonicContact OE2-NH1 3.16Å; E352-R454 PolarHBondContact OE2-NH1 2.88Å; E352-R454 IonicContact OE2-NH2 3.18Å
353	D	56.8	Low	63.7	Low	170 Å²	170	82.6 Å²	82.6	91%	0.909	43%	0.431	S	S	*	.			trans	-75.7	7.7	176.8	-137.5	7.5	0	0	0	111.9	T355	D353-T355 PolarHBondContact O-N 2.94Å
354	D	78.1	Confident	66.9	Low	65 Å²	65	79.4 Å²	79.4	35%	0.348	41%	0.41	S	S	.	.			trans	-89.7	97.6	176.4	-169.1	-13.4	0	0	0	110	E352 E356 V357 R456	E352-D354 PolarHBondContact O-N 3.49Å; D354-E356 PolarHBondContact O-N 2.7Å; D354-E356 VanDerWaalsContact O-N 3.08Å; D354-E356 WeakPolarHBondContact OD1-CB 3.41Å; D354-E356 PolarHBondContact OD1-N 2.63Å; D354-V357 HydrophobicContact CB-CG2 4Å; D354-V357 PolarHBondContact O-N 3.5Å; D354-V357 VanDerWaalsContact O-N 3.14Å; D354-R456 IonicContact OD1-NH2 2.65Å; D354-R456 IonicContact OD2-CZ 3.9Å; D354-R456 IonicContact OD2-NH1 3.86Å; D354-R456 IonicContact OD2-NH2 3.37Å; D354-R456 PolarHBondContact OD2-NH2 3.07Å
355	T	82.2	Confident	70.2	Confident	106 Å²	106	74.6 Å²	74.6	65%	0.65	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.1	179.8	54.9	0	0	0	0	113.8	D353 K457	D353-T355 PolarHBondContact O-N 2.94Å; T355-K457 WeakPolarHBondContact O-CE 3.48Å; T355-K457 PolarHBondContact O-NZ 3.26Å
356	E	91.3	Very high	73.1	Confident	73 Å²	73	69.9 Å²	69.9	34%	0.341	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-22.6	178.9	-59.5	-56	145.8	0	0	112.8	D354 R456 K457 D458	D354-E356 PolarHBondContact O-N 2.7Å; D354-E356 VanDerWaalsContact O-N 3.08Å; D354-E356 WeakPolarHBondContact OD1-CB 3.41Å; D354-E356 PolarHBondContact OD1-N 2.63Å; E356-R456 CarbonylContact O-C 3.59Å; E356-R456 WeakPolarHBondContact O-CA 3.35Å; E356-K457 PolarHBondContact O-N 2.95Å; E356-D458 HydrophobicContact CB-CB 4.27Å; E356-D458 HydrophobicContact CG-CB 4.16Å; E356-D458 PolarHBondContact OE2-N 3.45Å
357	V	93.4	Very high	76.1	Confident	16 Å²	16	68 Å²	68	10%	0.097	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-71.2	137.2	175.2	178.9	0	0	0	0	109.4	D354 K457	D354-V357 HydrophobicContact CB-CG2 4Å; D354-V357 PolarHBondContact O-N 3.5Å; D354-V357 VanDerWaalsContact O-N 3.14Å; V357-K457 VanDerWaalsContact O-CE 3.25Å; V357-K457 WeakPolarHBondContact O-CE 3.34Å; V357-K457 PolarHBondContact O-NZ 2.91Å
358	V	93.9	Very high	78.8	Confident	7 Å²	7	61 Å²	61	4%	0.042	31%	0.308	C	S	.	.			trans	-79.5	124.2	176.5	179.9	0	0	0	0	109.9	L360 Y363 L444 A446 W455 K457 M485	V358-L360 HydrophobicContact CG1-CD2 4.27Å; V358-L360 PolarHBondContact O-N 2.86Å; V358-L360 VanDerWaalsContact O-N 3.16Å; V358-Y363 HydrophobicContact CG1-CD2 4.18Å; V358-Y363 HydrophobicContact CG1-CG 4.19Å; V358-L444 HydrophobicContact CG1-CD2 4.45Å; V358-L444 HydrophobicContact CG2-CD2 4.37Å; V358-A446 HydrophobicContact CG2-CB 3.84Å; V358-W455 HydrophobicContact CB-CB 3.94Å; V358-W455 HydrophobicContact CG2-CB 4.02Å; V358-W455 PolarHBondContact N-O 2.79Å; V358-K457 HydrophobicContact CG2-CD 4.48Å; V358-K457 HydrophobicContact CG2-CG 3.77Å; V358-M485 HydrophobicContact CB-SD 4.44Å; V358-M485 HydrophobicContact CG1-SD 3.69Å; V358-M485 HydrophobicContact CG2-SD 4.35Å
359	N	92.3	Very high	81.4	Confident	36 Å²	36	57.4 Å²	57.4	19%	0.193	29%	0.292	C	S	.	.			trans	-72.1	104.9	169	-175.6	-32.3	0	0	0	109.7	E350 V361 Q362 Y363 Y570	E350-N359 PolarHBondContact OE2-ND2 2.75Å; N359-V361 PolarHBondContact O-N 2.88Å; N359-V361 WeakPolarHBondContact OD1-CA 3.41Å; N359-V361 WeakPolarHBondContact OD1-CB 3.25Å; N359-V361 PolarHBondContact OD1-N 2.83Å; N359-Q362 HydrophobicContact CB-CB 4.23Å; N359-Q362 PolarHBondContact O-N 3.4Å; N359-Q362 PolarHBondContact OD1-N 3.21Å; N359-Q362 VanDerWaalsContact OD1-N 3.14Å; N359-Y363 PolarHBondContact O-N 2.94Å; N359-Y570 PolarHBondContact ND2-OH 3.05Å
360	L	91.8	Very high	84.1	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.11	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	0.5	-179.6	-65.3	177.3	0	0	0	115	S264 R265 V358 Y363 W455 M485	S264-L360 WeakPolarHBondContact OG-CD1 3.24Å; R265-L360 HydrophobicContact CG-CD1 4.31Å; V358-L360 HydrophobicContact CG1-CD2 4.27Å; V358-L360 PolarHBondContact O-N 2.86Å; V358-L360 VanDerWaalsContact O-N 3.16Å; L360-Y363 CarbonylContact C-O 3.54Å; L360-Y363 WeakPolarHBondContact CA-O 3.5Å; L360-W455 HydrophobicContact CD2-CG 4.42Å; L360-M485 HydrophobicContact CD2-CE 4.23Å
361	V	89.4	Confident	86.4	Confident	39 Å²	39	47 Å²	47	24%	0.236	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-46.2	166.2	-177.2	0	0	0	0	109.3	N359 F489 N566 Y570	N359-V361 PolarHBondContact O-N 2.88Å; N359-V361 WeakPolarHBondContact OD1-CA 3.41Å; N359-V361 WeakPolarHBondContact OD1-CB 3.25Å; N359-V361 PolarHBondContact OD1-N 2.83Å; V361-F489 WeakPolarHBondContact O-CE2 3.36Å; V361-N566 HydrophobicContact CG1-CB 3.34Å; V361-N566 WeakPolarHBondContact CG1-ND2 3.33Å; V361-Y570 HydrophobicContact CB-CE2 4.43Å; V361-Y570 HydrophobicContact CG1-CE2 3.71Å
362	Q	91.8	Very high	88.9	Confident	54 Å²	54	39.3 Å²	39.3	25%	0.252	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.6	177.9	-169.6	177.2	4.9	0	0	112.6	N359 N487 T488 Y570	N359-Q362 HydrophobicContact CB-CB 4.23Å; N359-Q362 PolarHBondContact O-N 3.4Å; N359-Q362 PolarHBondContact OD1-N 3.21Å; N359-Q362 VanDerWaalsContact OD1-N 3.14Å; Q362-N487 PolarHBondContact O-OD1 3.45Å; Q362-T488 PolarHBondContact O-N 2.83Å; Q362-T488 PolarHBondContact O-OG1 3.21Å; Q362-T488 VanDerWaalsContact O-OG1 3.13Å; Q362-Y570 HydrophobicContact CB-CD1 4.19Å; Q362-Y570 HydrophobicContact CB-CE1 3.63Å; Q362-Y570 HydrophobicContact CG-CD1 3.91Å; Q362-Y570 HydrophobicContact CG-CE1 3.83Å
363	Y	94.2	Very high	91	Very high	56 Å²	56	36.1 Å²	36.1	22%	0.22	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.4	-175.3	-67.2	-86.1	0	0	0	111.9	V358 N359 L360 L444 R486 N487	V358-Y363 HydrophobicContact CG1-CD2 4.18Å; V358-Y363 HydrophobicContact CG1-CG 4.19Å; N359-Y363 PolarHBondContact O-N 2.94Å; L360-Y363 CarbonylContact C-O 3.54Å; L360-Y363 WeakPolarHBondContact CA-O 3.5Å; Y363-L444 HydrophobicContact CD1-CB 4.37Å; Y363-L444 HydrophobicContact CD1-CD2 3.72Å; Y363-L444 HydrophobicContact CD2-CD2 4.36Å; Y363-L444 HydrophobicContact CE1-CB 4.33Å; Y363-L444 HydrophobicContact CE1-CD2 3.83Å; Y363-L444 HydrophobicContact CE2-CD2 4.47Å; Y363-L444 HydrophobicContact CG-CD2 4.01Å; Y363-R486 VanDerWaalsContact CA-O 3.28Å; Y363-R486 WeakPolarHBondContact CA-O 3.47Å; Y363-N487 HydrophobicContact CD1-CB 4.44Å; Y363-N487 HydrophobicContact CE1-CB 4.13Å
364	T	93.8	Very high	92.9	Very high	39 Å²	39	28.1 Å²	28.1	24%	0.239	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.5	177	-62	0	0	0	0	110.1	L366 M485 R486 T488	T364-L366 PolarHBondContact O-N 3.21Å; T364-M485 WeakPolarHBondContact O-CA 3.1Å; T364-R486 PolarHBondContact N-O 3.11Å; T364-R486 PolarHBondContact O-N 3.01Å; T364-T488 PolarHBondContact OG1-OG1 3.33Å
365	T	95.5	Very high	93.7	Very high	15 Å²	15	25.2 Å²	25.2	9%	0.092	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	132.9	171.6	-52.1	0	0	0	0	111	D258 S261 G368 V369 A483	D258-T365 HydrophobicContact CB-CG2 3.96Å; D258-T365 WeakPolarHBondContact OD2-CB 3.38Å; D258-T365 PolarHBondContact OD2-OG1 2.86Å; S261-T365 PolarHBondContact OG-OG1 3.38Å; T365-G368 WeakPolarHBondContact CG2-O 3.17Å; T365-V369 HydrophobicContact CG2-CG2 4.42Å; T365-A483 HydrophobicContact CG2-CB 3.84Å
366	L	95.1	Very high	94.4	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	135.5	178.9	-177.4	61.1	0	0	0	111.1	T364 G368 V437 I438 F439 L484 R486 K556	T364-L366 PolarHBondContact O-N 3.21Å; L366-G368 PolarHBondContact O-N 3.44Å; L366-V437 HydrophobicContact CD1-CB 3.93Å; L366-V437 HydrophobicContact CD1-CG1 3.57Å; L366-V437 HydrophobicContact CD2-CB 4.1Å; L366-V437 HydrophobicContact CG-CB 3.85Å; L366-V437 HydrophobicContact CG-CG1 3.91Å; L366-V437 HydrophobicContact CG-CG2 4.37Å; L366-I438 WeakPolarHBondContact CD2-O 2.91Å; L366-F439 HydrophobicContact CB-CE1 3.99Å; L366-F439 HydrophobicContact CB-CE2 4.23Å; L366-F439 HydrophobicContact CB-CZ 3.57Å; L366-F439 HydrophobicContact CD2-CD1 4.1Å; L366-F439 HydrophobicContact CD2-CD2 3.92Å; L366-F439 HydrophobicContact CD2-CE1 3.87Å; L366-F439 HydrophobicContact CD2-CE2 3.69Å; L366-F439 HydrophobicContact CD2-CG 4.14Å; L366-F439 HydrophobicContact CD2-CZ 3.68Å; L366-F439 HydrophobicContact CG-CE1 4.34Å; L366-F439 HydrophobicContact CG-CE2 3.92Å; L366-F439 HydrophobicContact CG-CZ 3.78Å; L366-L484 PolarHBondContact N-O 3.36Å; L366-R486 HydrophobicContact CB-CG 4.31Å; L366-R486 HydrophobicContact CD2-CG 4.25Å; L366-K556 WeakPolarHBondContact CD1-O 3.45Å
367	G	92.6	Very high	94.5	Very high	7 Å²	7	22.3 Å²	22.3	7%	0.072	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.5	-12.3	-177.5	0	0	0	0	0	113.6	H254	H254-G367 PolarHBondContact NE2-O 2.83Å
368	G	94.9	Very high	94.5	Very high	5 Å²	5	22 Å²	22	5%	0.052	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.6	-158.5	175.4	0	0	0	0	0	113.2	T255 T365 L366	T255-G368 CarbonylContact O-C 3.53Å; T255-G368 WeakPolarHBondContact O-CA 3.29Å; T365-G368 WeakPolarHBondContact CG2-O 3.17Å; L366-G368 PolarHBondContact O-N 3.44Å
369	V	96.9	Very high	94.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141	-172.1	175.1	0	0	0	0	110.4	H254 T255 D258 L260 T365 Y371 W455 I481	H254-V369 CarbonylContact C-O 3.56Å; H254-V369 WeakPolarHBondContact CA-O 3.25Å; T255-V369 PolarHBondContact N-O 2.9Å; T255-V369 PolarHBondContact O-N 3.13Å; T255-V369 WeakPolarHBondContact OG1-CB 3.39Å; T255-V369 PolarHBondContact OG1-O 3.27Å; D258-V369 HydrophobicContact CB-CG2 4.26Å; L260-V369 HydrophobicContact CD1-CG1 3.93Å; T365-V369 HydrophobicContact CG2-CG2 4.42Å; V369-Y371 HydrophobicContact CG1-CD2 4.39Å; V369-Y371 HydrophobicContact CG1-CE2 4.12Å; V369-W455 HydrophobicContact CG1-CH2 4.1Å; V369-W455 HydrophobicContact CG2-CH2 4.18Å; V369-W455 HydrophobicContact CG2-CZ2 4.11Å; V369-I481 HydrophobicContact CG1-CG2 3.34Å
370	F	97.4	Very high	94.5	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111.1	-179	-58.7	-94.6	0	0	0	109.7	L235 H254 I431 I481 F482 L484	L235-F370 HydrophobicContact CD2-CD1 4.15Å; L235-F370 HydrophobicContact CD2-CE1 3.88Å; H254-F370 HydrophobicContact CB-CD1 3.74Å; H254-F370 HydrophobicContact CB-CE1 3.8Å; H254-F370 AromaticContact CD2-CD1 3.74Å; H254-F370 AromaticContact CD2-CE1 3.31Å; H254-F370 WeakPolarHBondContact CD2-CE1 3.21Å; H254-F370 AromaticContact CD2-CZ 3.48Å; H254-F370 VanDerWaalsContact CD2-CZ 3.48Å; H254-F370 WeakPolarHBondContact CD2-CZ 3.38Å; H254-F370 AromaticContact CE1-CE1 3.99Å; H254-F370 AromaticContact CE1-CZ 3.99Å; H254-F370 AromaticContact CG-CD1 3.79Å; H254-F370 AromaticContact CG-CE1 3.37Å; H254-F370 AromaticContact CG-CZ 3.97Å; H254-F370 AromaticContact ND1-CE1 3.83Å; H254-F370 AromaticContact NE2-CE1 3.72Å; H254-F370 AromaticContact NE2-CZ 3.5Å; F370-I431 HydrophobicContact CD1-CD1 4.46Å; F370-I431 HydrophobicContact CE1-CD1 4.32Å; F370-I431 HydrophobicContact CE1-CG2 4.23Å; F370-I431 HydrophobicContact CE2-CD1 4.4Å; F370-I431 HydrophobicContact CZ-CD1 4.28Å; F370-I431 HydrophobicContact CZ-CG2 4.14Å; F370-I481 CarbonylContact O-C 3.59Å; F370-I481 VanDerWaalsContact O-CA 3.27Å; F370-I481 WeakPolarHBondContact O-CA 3.13Å; F370-I481 WeakPolarHBondContact O-CG2 3.17Å; F370-F482 HydrophobicContact CB-CD1 4.15Å; F370-F482 HydrophobicContact CB-CD2 3.96Å; F370-F482 HydrophobicContact CB-CE1 3.68Å; F370-F482 HydrophobicContact CB-CE2 3.41Å; F370-F482 VanDerWaalsContact CB-CE2 3.41Å; F370-F482 HydrophobicContact CB-CG 4.28Å; F370-F482 HydrophobicContact CB-CZ 3.26Å; F370-F482 HydrophobicContact CD1-CE2 4.26Å; F370-F482 HydrophobicContact CD1-CZ 4.17Å; F370-F482 AromaticContact CD2-CD2 3.98Å; F370-F482 HydrophobicContact CD2-CD2 3.98Å; F370-F482 AromaticContact CD2-CE2 3.42Å; F370-F482 HydrophobicContact CD2-CE2 3.42Å; F370-F482 VanDerWaalsContact CD2-CE2 3.42Å; F370-F482 HydrophobicContact CD2-CZ 4.1Å; F370-F482 HydrophobicContact CE2-CE2 4.25Å; F370-F482 HydrophobicContact CG-CD2 4.24Å; F370-F482 HydrophobicContact CG-CE1 4.49Å; F370-F482 AromaticContact CG-CE2 3.43Å; F370-F482 HydrophobicContact CG-CE2 3.43Å; F370-F482 VanDerWaalsContact CG-CE2 3.43Å; F370-F482 AromaticContact CG-CZ 3.6Å; F370-F482 HydrophobicContact CG-CZ 3.6Å; F370-F482 PolarHBondContact N-O 3.01Å; F370-F482 PolarHBondContact O-N 2.85Å; F370-L484 HydrophobicContact CE2-CG 4.39Å
371	Y	96.5	Very high	94.4	Very high	13 Å²	13	23.7 Å²	23.7	5%	0.051	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	114.4	166.5	-71	-101	0	0	0	108.3	H177 I252 L253 T255 H259 V369 I481	H177-Y371 AromaticContact CE1-CD1 3.83Å; H177-Y371 AromaticContact CE1-CE1 3.33Å; H177-Y371 WeakPolarHBondContact CE1-CE1 3.44Å; H177-Y371 AromaticContact CE1-CZ 3.92Å; H177-Y371 AromaticContact ND1-CE1 3.71Å; H177-Y371 AromaticContact ND1-CZ 3.82Å; I252-Y371 CarbonylContact C-O 3.52Å; I252-Y371 VanDerWaalsContact CA-O 3.26Å; I252-Y371 WeakPolarHBondContact CA-O 3.33Å; L253-Y371 HydrophobicContact CD2-CD2 4.04Å; L253-Y371 HydrophobicContact CD2-CG 4.39Å; L253-Y371 PolarHBondContact N-O 3.42Å; L253-Y371 PolarHBondContact O-N 3Å; T255-Y371 HydrophobicContact CG2-CE2 4.37Å; H259-Y371 AromaticContact CE1-CE2 3.77Å; H259-Y371 AromaticContact NE2-CE2 3.83Å; H259-Y371 AromaticContact NE2-CZ 3.69Å; H259-Y371 PolarHBondContact NE2-OH 2.99Å; V369-Y371 HydrophobicContact CG1-CD2 4.39Å; V369-Y371 HydrophobicContact CG1-CE2 4.12Å; Y371-I481 HydrophobicContact CD1-CD1 3.65Å; Y371-I481 HydrophobicContact CD1-CG1 3.54Å; Y371-I481 HydrophobicContact CE1-CD1 3.31Å; Y371-I481 HydrophobicContact CE1-CG1 3.77Å; Y371-I481 HydrophobicContact CG-CG1 4.15Å
372	Y	96.6	Very high	94.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	97	176	-178.5	-138.3	0	0	0	108.9	F237 V250 I252 V427 V429 F479 Q480	F237-Y372 HydrophobicContact CB-CE2 3.97Å; F237-Y372 WeakPolarHBondContact CB-OH 3.28Å; V250-Y372 HydrophobicContact CG1-CD2 4.25Å; V250-Y372 HydrophobicContact CG1-CE2 3.66Å; I252-Y372 HydrophobicContact CD1-CD2 4.37Å; I252-Y372 HydrophobicContact CD1-CE2 4.4Å; I252-Y372 HydrophobicContact CG1-CD2 3.69Å; I252-Y372 HydrophobicContact CG1-CE2 4.11Å; Y372-V427 HydrophobicContact CE1-CB 4.08Å; Y372-V427 HydrophobicContact CE1-CG2 3.73Å; Y372-V429 HydrophobicContact CD1-CG2 3.77Å; Y372-V429 HydrophobicContact CE1-CG2 3.54Å; Y372-V429 HydrophobicContact CG-CG2 4.41Å; Y372-F479 AromaticContact CD1-CD1 3.77Å; Y372-F479 HydrophobicContact CD1-CD1 3.77Å; Y372-F479 HydrophobicContact CD1-CE1 4.39Å; Y372-F479 HydrophobicContact CD1-CG 4.43Å; Y372-F479 AromaticContact CD2-CD1 3.93Å; Y372-F479 HydrophobicContact CD2-CD1 3.93Å; Y372-F479 HydrophobicContact CD2-CE1 4.23Å; Y372-F479 AromaticContact CE1-CD1 3.49Å; Y372-F479 HydrophobicContact CE1-CD1 3.49Å; Y372-F479 VanDerWaalsContact CE1-CD1 3.49Å; Y372-F479 AromaticContact CE1-CE1 3.7Å; Y372-F479 HydrophobicContact CE1-CE1 3.7Å; Y372-F479 HydrophobicContact CE1-CG 4.24Å; Y372-F479 AromaticContact CE2-CD1 3.69Å; Y372-F479 HydrophobicContact CE2-CD1 3.69Å; Y372-F479 AromaticContact CE2-CE1 3.53Å; Y372-F479 HydrophobicContact CE2-CE1 3.53Å; Y372-F479 AromaticContact CG-CD1 3.98Å; Y372-F479 HydrophobicContact CG-CD1 3.98Å; Y372-F479 AromaticContact CZ-CD1 3.45Å; Y372-F479 VanDerWaalsContact CZ-CD1 3.45Å; Y372-F479 AromaticContact CZ-CE1 3.2Å; Y372-F479 CarbonylContact O-C 3.59Å; Y372-F479 VanDerWaalsContact O-C 3.31Å; Y372-F479 WeakPolarHBondContact O-CB 3.38Å; Y372-F479 WeakPolarHBondContact OH-CE1 3.28Å; Y372-Q480 WeakPolarHBondContact CB-O 3.34Å; Y372-Q480 PolarHBondContact O-N 2.77Å
373	D	95.9	Very high	94.2	Very high	31 Å²	31	31.6 Å²	31.6	17%	0.166	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141.1	-172.8	-52.1	-46.2	0	0	0	111.1	R251 L375	R251-D373 HydrophobicContact CB-CB 4.28Å; R251-D373 IonicContact CZ-OD2 2.74Å; R251-D373 PolarHBondContact N-O 3.08Å; R251-D373 IonicContact NE-OD2 3.25Å; R251-D373 PolarHBondContact NE-OD2 2.98Å; R251-D373 IonicContact NH1-OD2 3.51Å; R251-D373 PolarHBondContact NH1-OD2 3.47Å; R251-D373 IonicContact NH2-OD2 3.53Å; R251-D373 PolarHBondContact O-N 2.85Å; D373-L375 HydrophobicContact CB-CD2 4.09Å; D373-L375 HydrophobicContact CB-CG 4.23Å
374	L	96.6	Very high	93.8	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.6	163.4	-170.9	71.5	0	0	0	109.3	L243 I248 V250 F399 Y401 F479	L243-L374 HydrophobicContact CD1-CD1 4.38Å; L243-L374 HydrophobicContact CD1-CD2 3.77Å; L243-L374 HydrophobicContact CD2-CD2 3.93Å; I248-L374 HydrophobicContact CB-CD1 4.02Å; I248-L374 HydrophobicContact CD1-CD1 3.67Å; I248-L374 HydrophobicContact CG1-CD1 4.44Å; I248-L374 HydrophobicContact CG2-CD1 4.28Å; I248-L374 HydrophobicContact CG2-CG 4.49Å; V250-L374 HydrophobicContact CG2-CD1 4Å; L374-F399 HydrophobicContact CD2-CB 3.89Å; L374-F399 HydrophobicContact CD2-CD1 3.48Å; L374-F399 VanDerWaalsContact CD2-CD1 3.48Å; L374-F399 HydrophobicContact CD2-CE1 4.34Å; L374-F399 HydrophobicContact CD2-CG 4Å; L374-F399 HydrophobicContact CG-CB 3.82Å; L374-F399 HydrophobicContact CG-CD1 4.31Å; L374-F399 HydrophobicContact CG-CG 4.35Å; L374-F399 PolarHBondContact O-N 2.9Å; L374-Y401 HydrophobicContact CD2-CG 4.35Å; L374-F479 HydrophobicContact CB-CB 4.12Å; L374-F479 HydrophobicContact CB-CD1 3.77Å; L374-F479 HydrophobicContact CB-CD2 3.59Å; L374-F479 HydrophobicContact CB-CE1 3.99Å; L374-F479 HydrophobicContact CB-CE2 3.83Å; L374-F479 HydrophobicContact CB-CG 3.56Å; L374-F479 HydrophobicContact CB-CZ 4.05Å; L374-F479 HydrophobicContact CD1-CE1 4.08Å; L374-F479 HydrophobicContact CD1-CE2 4.02Å; L374-F479 HydrophobicContact CD1-CZ 3.73Å; L374-F479 HydrophobicContact CD2-CD2 3.96Å; L374-F479 HydrophobicContact CD2-CE2 3.68Å; L374-F479 HydrophobicContact CD2-CZ 4.27Å; L374-F479 HydrophobicContact CG-CD2 4.26Å; L374-F479 HydrophobicContact CG-CE2 4.05Å; L374-F479 HydrophobicContact CG-CZ 4.22Å
375	L	96.1	Very high	93.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	148	-173.6	-56.6	173.8	0	0	0	110.1	L188 I248 A249 R251 D373 L377 L396 K397	L188-L375 HydrophobicContact CD1-CD1 3.81Å; I248-L375 CarbonylContact C-O 3.55Å; I248-L375 VanDerWaalsContact CA-O 3.26Å; I248-L375 WeakPolarHBondContact CA-O 3.25Å; A249-L375 HydrophobicContact CB-CB 4.36Å; A249-L375 PolarHBondContact N-O 3.4Å; A249-L375 PolarHBondContact O-N 2.79Å; R251-L375 HydrophobicContact CB-CD1 3.97Å; D373-L375 HydrophobicContact CB-CD2 4.09Å; D373-L375 HydrophobicContact CB-CG 4.23Å; L375-L377 PolarHBondContact O-N 3.43Å; L375-L396 HydrophobicContact CD1-CD1 3.9Å; L375-L396 HydrophobicContact CD1-CD2 4.42Å; L375-L396 HydrophobicContact CD2-CB 4.47Å; L375-K397 CarbonylContact C-O 3.56Å; L375-K397 WeakPolarHBondContact CA-O 3.36Å
376	Q	95.4	Very high	92.9	Very high	98 Å²	98	49.1 Å²	49.1	46%	0.458	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	128.1	165	-174.3	174.3	16.2	0	0	108.4	P378 K397	Q376-P378 VanDerWaalsContact O-CD 3.3Å; Q376-P378 WeakPolarHBondContact O-CD 3.43Å; Q376-K397 HydrophobicContact CB-CB 4.31Å; Q376-K397 PolarHBondContact N-O 2.52Å
377	L	94.7	Very high	92.6	Very high	19 Å²	19	57.2 Å²	57.2	10%	0.099	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-64.2	122.7	178.7	-176	63.7	0	0	0	109.7	A217 L219 D247 A249 L375	A217-L377 HydrophobicContact CB-CD1 3.52Å; L219-L377 HydrophobicContact CD2-CD2 3.76Å; D247-L377 HydrophobicContact CB-CB 4.49Å; D247-L377 PolarHBondContact O-N 2.99Å; A249-L377 HydrophobicContact CB-CD1 4.22Å; L375-L377 PolarHBondContact O-N 3.43Å
378	P	93.5	Very high	92.3	Very high	10 Å²	10	61.4 Å²	61.4	7%	0.065	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.2	153.1	176.7	-25.2	36.3	0	0	0	111.9	L188 K189 Q376 Q380 V393 L396	L188-P378 HydrophobicContact CB-CG 4.06Å; K189-P378 HydrophobicContact CG-CB 4.14Å; Q376-P378 VanDerWaalsContact O-CD 3.3Å; Q376-P378 WeakPolarHBondContact O-CD 3.43Å; P378-Q380 PolarHBondContact O-N 3.11Å; P378-Q380 PolarHBondContact O-NE2 3.31Å; P378-V393 HydrophobicContact CB-CG2 4.33Å; P378-L396 HydrophobicContact CG-CD2 3.71Å
379	P	91.9	Very high	92	Very high	41 Å²	41	66.4 Å²	66.4	27%	0.266	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-54.6	128.5	173.2	-24.2	34.2	0	0	0	111.6	L390 Q391 V393	P379-L390 VanDerWaalsContact O-CD1 3.23Å; P379-L390 WeakPolarHBondContact O-CD1 3.31Å; P379-Q391 HydrophobicContact CB-CB 3.81Å; P379-Q391 HydrophobicContact CB-CG 4.42Å; P379-Q391 HydrophobicContact CG-CB 4.11Å; P379-Q391 HydrophobicContact CG-CG 4.17Å; P379-V393 HydrophobicContact CG-CG1 4.17Å; P379-V393 HydrophobicContact CG-CG2 4.44Å
380	Q	93.6	Very high	91.4	Very high	36 Å²	36	69.5 Å²	69.5	17%	0.168	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-87.1	151.5	-176.9	-61.6	-59.3	-57.2	0	0	112.1	L188 A191 L219 P378 I382	L188-Q380 PolarHBondContact O-NE2 3.32Å; A191-Q380 VanDerWaalsContact N-OE1 3.1Å; L219-Q380 HydrophobicContact CD2-CG 3.97Å; P378-Q380 PolarHBondContact O-N 3.11Å; P378-Q380 PolarHBondContact O-NE2 3.31Å; Q380-I382 PolarHBondContact O-N 2.84Å
381	P	90.3	Very high	90.9	Very high	22 Å²	22	75.8 Å²	75.8	14%	0.143	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-56.7	126.8	177	-22	27.6	0	0	0	112.6	K189 S192 T388 L390	K189-P381 VanDerWaalsContact O-CD 3.25Å; K189-P381 WeakPolarHBondContact O-CD 3.3Å; S192-P381 WeakPolarHBondContact OG-CD 3.45Å; P381-T388 HydrophobicContact CB-CG2 3.84Å; P381-L390 HydrophobicContact CG-CD1 4.02Å
382	I	88.4	Confident	90.1	Very high	95 Å²	95	82 Å²	82	49%	0.487	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.5	176.6	-57.9	175.1	0	0	0	108.9	Q380 R384 I389	Q380-I382 PolarHBondContact O-N 2.84Å; I382-R384 HydrophobicContact CG2-CG 3.97Å; I382-I389 PolarHBondContact N-O 3.1Å; I382-I389 PolarHBondContact O-N 3.42Å
383	R	87.8	Confident	89.4	Confident	165 Å²	165	83.7 Å²	83.7	62%	0.623	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	109.4	177	-59	-178.5	-172	-168.1	0	110.2	D193 Y387 T388	D193-R383 VanDerWaalsContact CG-NH2 3.26Å; D193-R383 IonicContact OD1-CZ 3.02Å; D193-R383 IonicContact OD1-NE 3.42Å; D193-R383 IonicContact OD1-NH2 3.95Å; D193-R383 PolarHBondContact OD1-NH2 3.42Å; D193-R383 IonicContact OD2-NH2 3.83Å; D193-R383 PolarHBondContact OD2-NH2 2.87Å; R383-Y387 CarbonylContact C-O 3.6Å; R383-Y387 WeakPolarHBondContact CA-O 3.13Å; R383-T388 HydrophobicContact CG-CG2 4.38Å
384	R	86.8	Confident	88.7	Confident	186 Å²	186	89.7 Å²	89.7	70%	0.702	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.7	131.2	177.7	-75.3	-174.8	-178.9	-164.8	1.8	111.1	I382 G386 Y387	I382-R384 HydrophobicContact CG2-CG 3.97Å; R384-G386 PolarHBondContact O-N 3.02Å; R384-Y387 PolarHBondContact N-O 2.89Å; R384-Y387 PolarHBondContact O-N 2.75Å
385	K	85.9	Confident	88.1	Confident	207 Å²	207	90.9 Å²	90.9	90%	0.9	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	39.1	175	-58.5	-177.6	177.4	-179.3	0	114	Y387	K385-Y387 VanDerWaalsContact C-N 3.31Å; K385-Y387 WeakPolarHBondContact O-CD2 3.14Å; K385-Y387 PolarHBondContact O-N 2.79Å
386	G	85	Confident	87.8	Confident	85 Å²	85	92.2 Å²	92.2	88%	0.876	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-1.5	-179.7	0	0	0	0	0	115.6	R384	R384-G386 PolarHBondContact O-N 3.02Å
387	Y	87.3	Confident	87.7	Confident	174 Å²	174	93.1 Å²	93.1	68%	0.682	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	141.6	172.8	-62.2	-85.7	0	0	0	110.9	R383 R384 K385	R383-Y387 CarbonylContact C-O 3.6Å; R383-Y387 WeakPolarHBondContact CA-O 3.13Å; R384-Y387 PolarHBondContact N-O 2.89Å; R384-Y387 PolarHBondContact O-N 2.75Å; K385-Y387 VanDerWaalsContact C-N 3.31Å; K385-Y387 WeakPolarHBondContact O-CD2 3.14Å; K385-Y387 PolarHBondContact O-N 2.79Å
388	T	86.6	Confident	87.6	Confident	94 Å²	94	97.6 Å²	97.6	58%	0.577	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.8	165.6	-57.8	0	0	0	0	107.7	P381 R383	P381-T388 HydrophobicContact CB-CG2 3.84Å; R383-T388 HydrophobicContact CG-CG2 4.38Å
389	I	88.1	Confident	87.6	Confident	110 Å²	110	99 Å²	99	56%	0.564	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.2	178.8	-57.3	172	0	0	0	107.6	I382	I382-I389 PolarHBondContact N-O 3.1Å; I382-I389 PolarHBondContact O-N 3.42Å
390	L	85.7	Confident	87.5	Confident	66 Å²	66	101.3 Å²	101.3	35%	0.346	52%	0.517	S	S	.	.			trans	-118.3	127.5	174.5	-178.1	62.5	0	0	0	108.9	P379 P381 M392	P379-L390 VanDerWaalsContact O-CD1 3.23Å; P379-L390 WeakPolarHBondContact O-CD1 3.31Å; P381-L390 HydrophobicContact CG-CD1 4.02Å; L390-M392 HydrophobicContact CD2-SD 4.49Å
391	Q	86.5	Confident	87.3	Confident	133 Å²	133	100.8 Å²	100.8	62%	0.621	51%	0.514	S	S	*	.			trans	-78.7	121.6	171.5	176.6	-179.8	-0.3	0	0	108.8	P379	P379-Q391 HydrophobicContact CB-CB 3.81Å; P379-Q391 HydrophobicContact CB-CG 4.42Å; P379-Q391 HydrophobicContact CG-CB 4.11Å; P379-Q391 HydrophobicContact CG-CG 4.17Å
392	M	80.4	Confident	86.9	Confident	142 Å²	142	102.8 Å²	102.8	70%	0.7	53%	0.527	S	S	*	.			trans	-76.8	133.2	175	-60.6	-61.7	-76.9	0	0	109.8	L390	L390-M392 HydrophobicContact CD2-SD 4.49Å
393	V	80.7	Confident	86.4	Confident	36 Å²	36	101.8 Å²	101.8	22%	0.218	52%	0.522	C	S	.	.			trans	-128.5	144.4	172.7	-85.9	0	0	0	0	108.4	P378 P379 G395	P378-V393 HydrophobicContact CB-CG2 4.33Å; P379-V393 HydrophobicContact CG-CG1 4.17Å; P379-V393 HydrophobicContact CG-CG2 4.44Å; V393-G395 PolarHBondContact O-N 2.84Å
394	D	81.2	Confident	85.3	Confident	158 Å²	158	102.8 Å²	102.8	85%	0.845	53%	0.533	S	S	*	.	S	Bend	trans	-79	100	177.8	-62	-28.7	0	0	0	109.6
395	G	83.4	Confident	83.7	Confident	28 Å²	28	102.7 Å²	102.7	29%	0.289	53%	0.533	S	S	.	.	S	Bend	trans	72.3	172.3	172.7	0	0	0	0	0	115.4	E185 V393	E185-G395 WeakPolarHBondContact OE1-CA 3.42Å; E185-G395 PolarHBondContact OE1-N 2.84Å; E185-G395 WeakPolarHBondContact OE2-CA 3.48Å; V393-G395 PolarHBondContact O-N 2.84Å
396	L	90.9	Very high	81.6	Confident	32 Å²	32	97.1 Å²	97.1	17%	0.168	52%	0.52	C	S	.	.			trans	-76.6	136.2	167.6	-70.4	170.6	0	0	0	110.6	L181 A184 E185 L188 L375 P378	L181-L396 HydrophobicContact CD2-CD1 4.39Å; A184-L396 HydrophobicContact CB-CD1 3.92Å; E185-L396 HydrophobicContact CB-CD1 3.93Å; E185-L396 HydrophobicContact CB-CD2 4.3Å; E185-L396 HydrophobicContact CB-CG 3.73Å; E185-L396 HydrophobicContact CG-CD2 4.29Å; E185-L396 HydrophobicContact CG-CG 3.99Å; L188-L396 HydrophobicContact CB-CD2 4.4Å; L188-L396 HydrophobicContact CD1-CD1 4.24Å; L188-L396 HydrophobicContact CD1-CD2 3.73Å; L375-L396 HydrophobicContact CD1-CD1 3.9Å; L375-L396 HydrophobicContact CD1-CD2 4.42Å; L375-L396 HydrophobicContact CD2-CB 4.47Å; P378-L396 HydrophobicContact CG-CD2 3.71Å
397	K	92.6	Very high	79.5	Confident	116 Å²	116	100.8 Å²	100.8	50%	0.504	52%	0.519	S	S	.	.			trans	-106.9	133.7	176.2	-64.9	-176.5	-179.4	-179.2	0	110	L375 Q376	L375-K397 CarbonylContact C-O 3.56Å; L375-K397 WeakPolarHBondContact CA-O 3.36Å; Q376-K397 HydrophobicContact CB-CB 4.31Å; Q376-K397 PolarHBondContact N-O 2.52Å
398	V	93.1	Very high	77.1	Confident	113 Å²	113	100.8 Å²	100.8	69%	0.685	52%	0.523	S	S	*	.	B	Isolated β-bridge	trans	-66	132.8	171.4	-179.8	0	0	0	0	108.8
399	F	93.6	Very high	74.9	Confident	39 Å²	39	105.7 Å²	105.7	17%	0.171	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-82	127.7	171.1	-172.1	-83.6	0	0	0	108.7	L243 I248 L374 Y401	L243-F399 HydrophobicContact CD2-CD1 4.23Å; L243-F399 HydrophobicContact CD2-CE1 3.71Å; L243-F399 HydrophobicContact CD2-CZ 4.42Å; I248-F399 HydrophobicContact CG2-CB 4.3Å; I248-F399 HydrophobicContact CG2-CD1 4.16Å; I248-F399 HydrophobicContact CG2-CD2 3.45Å; I248-F399 VanDerWaalsContact CG2-CD2 3.45Å; I248-F399 HydrophobicContact CG2-CE1 4.33Å; I248-F399 HydrophobicContact CG2-CE2 3.65Å; I248-F399 HydrophobicContact CG2-CG 3.71Å; I248-F399 HydrophobicContact CG2-CZ 4.09Å; L374-F399 HydrophobicContact CD2-CB 3.89Å; L374-F399 HydrophobicContact CD2-CD1 3.48Å; L374-F399 VanDerWaalsContact CD2-CD1 3.48Å; L374-F399 HydrophobicContact CD2-CE1 4.34Å; L374-F399 HydrophobicContact CD2-CG 4Å; L374-F399 HydrophobicContact CG-CB 3.82Å; L374-F399 HydrophobicContact CG-CD1 4.31Å; L374-F399 HydrophobicContact CG-CG 4.35Å; L374-F399 PolarHBondContact O-N 2.9Å; F399-Y401 PolarHBondContact O-N 3.16Å; F399-Y401 VanDerWaalsContact O-N 3.15Å
400	P	89.9	Confident	72.6	Confident	90 Å²	90	108.6 Å²	108.6	58%	0.584	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-67.7	116.2	-176.1	27.3	-33.5	0	0	0	110.7
401	Y	88.4	Confident	70.4	Confident	26 Å²	26	111 Å²	111	10%	0.102	57%	0.568	C	S	.	*	S	Bend	trans	-146.3	129.8	174.6	-167.7	-95.3	0	0	0	110.3	P240 L243 L374 F399 I403 C424 S425 V427 F479	P240-Y401 WeakPolarHBondContact CG-OH 3.25Å; L243-Y401 HydrophobicContact CD1-CD2 3.84Å; L243-Y401 HydrophobicContact CD1-CE2 3.83Å; L243-Y401 HydrophobicContact CD1-CG 4.31Å; L243-Y401 HydrophobicContact CD2-CD2 3.88Å; L243-Y401 HydrophobicContact CD2-CE2 4.19Å; L243-Y401 HydrophobicContact CG-CD2 4.11Å; L243-Y401 HydrophobicContact CG-CE2 3.98Å; L374-Y401 HydrophobicContact CD2-CG 4.35Å; F399-Y401 PolarHBondContact O-N 3.16Å; F399-Y401 VanDerWaalsContact O-N 3.15Å; Y401-I403 HydrophobicContact CD2-CG1 4.39Å; Y401-C424 HydrophobicContact CE1-CB 4.39Å; Y401-C424 HydrophobicContact CE2-CB 4.17Å; Y401-S425 PolarHBondContact OH-N 3.11Å; Y401-S425 PolarHBondContact OH-O 3.38Å; Y401-V427 HydrophobicContact CD1-CG1 4.28Å; Y401-V427 HydrophobicContact CE1-CG1 3.71Å; Y401-F479 AromaticContact CD1-CD2 3.85Å; Y401-F479 HydrophobicContact CD1-CD2 3.85Å; Y401-F479 HydrophobicContact CD1-CE2 4.03Å; Y401-F479 HydrophobicContact CE1-CE2 4.49Å; Y401-F479 HydrophobicContact CG-CD2 4.23Å; Y401-F479 HydrophobicContact CG-CE2 4.3Å
402	P	83.5	Confident	68.5	Low	64 Å²	64	108.6 Å²	108.6	42%	0.416	57%	0.566	S	S	.	*	S	Bend	cis	-57.8	145.8	0	-29.3	40.5	0	0	0	114	E404 C424	P402-E404 PolarHBondContact O-N 3.14Å; P402-E404 VanDerWaalsContact O-N 3.13Å; P402-C424 HydrophobicContact CB-CB 3.7Å; P402-C424 VanDerWaalsContact CB-SG 3.57Å; P402-C424 HydrophobicContact CG-CB 4.25Å
403	I	76.8	Confident	66.7	Low	74 Å²	74	109.8 Å²	109.8	38%	0.379	58%	0.576	S	S	.	*			trans	-70.5	113.1	176.4	-60.2	172.7	0	0	0	107.5	Y401 R405 C424	Y401-I403 HydrophobicContact CD2-CG1 4.39Å; I403-R405 VanDerWaalsContact C-N 3.34Å; I403-R405 PolarHBondContact O-N 2.85Å; I403-C424 PolarHBondContact N-SG 2.83Å
404	E	64.1	Low	65.1	Low	185 Å²	185	112.3 Å²	112.3	86%	0.864	59%	0.588	S	S	*	*			trans	-60.5	97.7	169.5	-68.8	-172.7	177.6	0	0	108.8	P402 S406	P402-E404 PolarHBondContact O-N 3.14Å; P402-E404 VanDerWaalsContact O-N 3.13Å; E404-S406 VanDerWaalsContact C-N 3.3Å; E404-S406 PolarHBondContact O-N 2.73Å
405	R	54.7	Low	63.6	Low	185 Å²	185	110.9 Å²	110.9	70%	0.698	59%	0.587	S	S	*	*			trans	-67.1	99	167.2	-68.7	-174.6	-176.9	179.7	3.7	105.8	I403 N407	I403-R405 VanDerWaalsContact C-N 3.34Å; I403-R405 PolarHBondContact O-N 2.85Å; R405-N407 PolarHBondContact O-N 2.91Å; R405-N407 VanDerWaalsContact O-N 3.12Å
406	S	41.5	Very low	62.1	Low	89 Å²	89	115.1 Å²	115.1	62%	0.622	61%	0.608	S	S	*	*			trans	-44.7	126	167.8	59.2	0	0	0	0	107.2	E404 K408	E404-S406 VanDerWaalsContact C-N 3.3Å; E404-S406 PolarHBondContact O-N 2.73Å; S406-K408 PolarHBondContact O-N 2.9Å
407	N	40	Very low	59.9	Low	162 Å²	162	120.8 Å²	120.8	87%	0.866	63%	0.633	S	S	*	*			trans	-59.4	76.9	170.5	-73.7	-34.7	0	0	0	108.5	R405 K409	R405-N407 PolarHBondContact O-N 2.91Å; R405-N407 VanDerWaalsContact O-N 3.12Å; N407-K409 VanDerWaalsContact C-N 3.31Å; N407-K409 PolarHBondContact O-N 3.5Å
408	K	36.8	Very low	57.4	Low	175 Å²	175	124.1 Å²	124.1	76%	0.761	65%	0.648	S	S	*	*			trans	-62.2	108.2	154.6	-77.8	-174.9	178.4	177.3	0	103	S406 E410	S406-K408 PolarHBondContact O-N 2.9Å; K408-E410 PolarHBondContact O-N 2.74Å
409	K	41	Very low	54.7	Low	196 Å²	196	124.7 Å²	124.7	85%	0.852	65%	0.654	S	S	*	*			trans	-52.9	87.6	163.2	-73.8	177.2	174.2	179.4	0	107.2	N407 C411	N407-K409 VanDerWaalsContact C-N 3.31Å; N407-K409 PolarHBondContact O-N 3.5Å; K409-C411 PolarHBondContact O-N 2.79Å
410	E	39.9	Very low	52.2	Low	171 Å²	171	130.4 Å²	130.4	80%	0.799	69%	0.686	S	S	*	*			trans	-71.1	109	149.2	-71.4	-172.9	172.8	0	0	104	K408 S412	K408-E410 PolarHBondContact O-N 2.74Å; E410-S412 PolarHBondContact O-N 2.65Å
411	C	40	Very low	50	Low	117 Å²	117	135.4 Å²	135.4	79%	0.791	70%	0.699	S	S	*	*			trans	-63.8	92.9	168	-70.8	0	0	0	0	107.3	K409	K409-C411 PolarHBondContact O-N 2.79Å
412	S	45.3	Very low	48	Very low	83 Å²	83	136.5 Å²	136.5	58%	0.58	72%	0.718	S	S	*	*			trans	-96.2	112.4	154.8	53.5	0	0	0	0	107.9	E410 D414	E410-S412 PolarHBondContact O-N 2.65Å; S412-D414 PolarHBondContact O-N 3.21Å; S412-D414 VanDerWaalsContact O-N 3.07Å
413	D	43.1	Very low	46.8	Very low	167 Å²	167	138.1 Å²	138.1	89%	0.893	74%	0.736	S	S	*	*			trans	-77.6	34.6	176.4	-77.8	-36.7	0	0	0	112.2
414	D	46.8	Very low	46.4	Very low	88 Å²	88	136.1 Å²	136.1	47%	0.471	73%	0.729	S	S	.	*			trans	-108.9	109.1	176.8	-162.4	-22.3	0	0	0	111.3	S412 T416	S412-D414 PolarHBondContact O-N 3.21Å; S412-D414 VanDerWaalsContact O-N 3.07Å; D414-T416 PolarHBondContact O-N 3.31Å; D414-T416 VanDerWaalsContact O-N 3.13Å; D414-T416 PolarHBondContact OD1-N 3.09Å; D414-T416 VanDerWaalsContact OD1-N 3.14Å; D414-T416 PolarHBondContact OD1-OG1 3.41Å
415	P	49.8	Very low	47.5	Very low	128 Å²	128	129.6 Å²	129.6	83%	0.831	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	8.6	-177.6	30	-32.8	0	0	0	114.4
416	T	52	Low	49.2	Very low	118 Å²	118	123.2 Å²	123.2	72%	0.724	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.9	-5.6	-179.6	52.8	0	0	0	0	116.3	D414	D414-T416 PolarHBondContact O-N 3.31Å; D414-T416 VanDerWaalsContact O-N 3.13Å; D414-T416 PolarHBondContact OD1-N 3.09Å; D414-T416 VanDerWaalsContact OD1-N 3.14Å; D414-T416 PolarHBondContact OD1-OG1 3.41Å
417	E	45.7	Very low	51.7	Low	150 Å²	150	119 Å²	119	70%	0.701	66%	0.656	S	S	*	*			trans	-93.1	115.9	173.5	-69.9	-168.2	159.5	0	0	111.6
418	K	39.3	Very low	54.3	Low	187 Å²	187	111.4 Å²	111.4	81%	0.813	62%	0.617	S	S	*	*			trans	-57.1	141.5	166.7	-70.5	178.6	178.7	177.8	0	108.6	N420	K418-N420 PolarHBondContact O-N 3.47Å
419	P	36.8	Very low	57.2	Low	125 Å²	125	103.1 Å²	103.1	81%	0.812	58%	0.581	S	S	*	*			trans	-64	101.5	176.6	26.2	-32	0	0	0	109.1	K421	P419-K421 VanDerWaalsContact C-N 3.27Å; P419-K421 PolarHBondContact O-N 3.21Å
420	N	40.6	Very low	59.9	Low	159 Å²	159	94.3 Å²	94.3	85%	0.85	54%	0.544	S	S	*	.			trans	-67.7	91	166.4	-105.1	-8.1	0	0	0	107.1	K418 G422	K418-N420 PolarHBondContact O-N 3.47Å; N420-G422 PolarHBondContact O-N 3.02Å
421	K	43.5	Very low	62.6	Low	195 Å²	195	86.2 Å²	86.2	85%	0.848	51%	0.506	S	S	*	.			trans	-60.1	91.5	152.6	-74.8	-176.4	177.8	-177	0	105.3	P419 A423	P419-K421 VanDerWaalsContact C-N 3.27Å; P419-K421 PolarHBondContact O-N 3.21Å; K421-A423 PolarHBondContact O-N 2.99Å
422	G	47	Very low	65.3	Low	49 Å²	49	83.8 Å²	83.8	51%	0.505	49%	0.487	S	S	.	.			trans	-59.4	102.7	179.5	0	0	0	0	0	108.7	N420 C424	N420-G422 PolarHBondContact O-N 3.02Å; G422-C424 PolarHBondContact O-N 3.34Å
423	A	57.9	Low	67.5	Low	97 Å²	97	81 Å²	81	80%	0.802	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-58.1	132.1	173.6	0	0	0	0	0	108.1	K421	K421-A423 PolarHBondContact O-N 2.99Å
424	C	68.5	Low	69.8	Low	33 Å²	33	73.8 Å²	73.8	22%	0.223	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-65.4	151.7	171.4	-73.9	0	0	0	0	109.5	Y401 P402 I403 G422	Y401-C424 HydrophobicContact CE1-CB 4.39Å; Y401-C424 HydrophobicContact CE2-CB 4.17Å; P402-C424 HydrophobicContact CB-CB 3.7Å; P402-C424 VanDerWaalsContact CB-SG 3.57Å; P402-C424 HydrophobicContact CG-CB 4.25Å; I403-C424 PolarHBondContact N-SG 2.83Å; G422-C424 PolarHBondContact O-N 3.34Å
425	S	86.7	Confident	71.8	Confident	48 Å²	48	76.9 Å²	76.9	34%	0.336	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-61.9	140.6	-179.8	-57.2	0	0	0	0	110.8	Y401	Y401-S425 PolarHBondContact OH-N 3.11Å; Y401-S425 PolarHBondContact OH-O 3.38Å
426	P	91.6	Very high	73.7	Confident	50 Å²	50	75 Å²	75	33%	0.325	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-66.2	157.8	177.8	30.1	-36.1	0	0	0	111.2	I461 E475 M476	P426-I461 HydrophobicContact CB-CD1 4.16Å; P426-I461 HydrophobicContact CG-CD1 4.16Å; P426-E475 HydrophobicContact CB-CB 4.06Å; P426-E475 HydrophobicContact CB-CG 4.49Å; P426-E475 HydrophobicContact CG-CB 4.44Å; P426-E475 WeakPolarHBondContact CG-OE2 3.45Å; P426-M476 CarbonylContact C-O 3.54Å; P426-M476 VanDerWaalsContact CA-O 3.25Å; P426-M476 WeakPolarHBondContact CA-O 3.36Å; P426-M476 WeakPolarHBondContact CB-O 3.12Å
427	V	93.7	Very high	75.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.5	179.1	-64.7	0	0	0	0	109.1	P240 Y372 Y401 E475 M476 S478 F479	P240-V427 HydrophobicContact CG-CG1 3.88Å; Y372-V427 HydrophobicContact CE1-CB 4.08Å; Y372-V427 HydrophobicContact CE1-CG2 3.73Å; Y401-V427 HydrophobicContact CD1-CG1 4.28Å; Y401-V427 HydrophobicContact CE1-CG1 3.71Å; V427-E475 CarbonylContact O-C 3.58Å; V427-E475 WeakPolarHBondContact O-CA 3.47Å; V427-M476 HydrophobicContact CG2-CB 4.05Å; V427-M476 WeakPolarHBondContact CG2-O 3.21Å; V427-M476 PolarHBondContact N-O 3.06Å; V427-M476 PolarHBondContact O-N 3.11Å; V427-S478 WeakPolarHBondContact CG2-O 3.34Å; V427-F479 HydrophobicContact CB-CE2 4.27Å; V427-F479 HydrophobicContact CB-CZ 4.34Å; V427-F479 HydrophobicContact CG1-CD2 3.9Å; V427-F479 HydrophobicContact CG1-CE2 3.37Å; V427-F479 HydrophobicContact CG1-CZ 3.78Å
428	G	95.3	Very high	77.8	Confident	3 Å²	3	63.7 Å²	63.7	3%	0.031	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	143.4	-175.2	0	0	0	0	0	111.8	F237 K238	F237-G428 CarbonylContact C-O 3.52Å; F237-G428 VanDerWaalsContact CA-O 3.25Å; F237-G428 WeakPolarHBondContact CA-O 3.09Å; K238-G428 PolarHBondContact N-O 2.76Å; K238-G428 PolarHBondContact O-N 2.9Å
429	V	96.7	Very high	80.2	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.9	174.2	-177.2	0	0	0	0	108.7	Y372 I431 S473 F474 F482	Y372-V429 HydrophobicContact CD1-CG2 3.77Å; Y372-V429 HydrophobicContact CE1-CG2 3.54Å; Y372-V429 HydrophobicContact CG-CG2 4.41Å; V429-I431 HydrophobicContact CG1-CD1 4.15Å; V429-I431 HydrophobicContact CG1-CG1 3.91Å; V429-S473 WeakPolarHBondContact O-CA 3.42Å; V429-F474 HydrophobicContact CB-CE1 4.46Å; V429-F474 HydrophobicContact CB-CE2 4.04Å; V429-F474 HydrophobicContact CB-CZ 3.97Å; V429-F474 HydrophobicContact CG1-CE1 4.49Å; V429-F474 HydrophobicContact CG1-CZ 4.08Å; V429-F474 HydrophobicContact CG2-CE2 4.41Å; V429-F474 PolarHBondContact N-O 2.93Å; V429-F474 PolarHBondContact O-N 2.52Å; V429-F482 HydrophobicContact CG1-CE1 4.08Å; V429-F482 HydrophobicContact CG1-CZ 3.76Å; V429-F482 HydrophobicContact CG2-CE1 4.29Å
430	S	97.6	Very high	82.6	Confident	10 Å²	10	52.2 Å²	52.2	7%	0.07	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	138.4	167	-38.4	0	0	0	0	111.1	S236 I472 S473	S236-S430 PolarHBondContact N-O 3.47Å; S236-S430 PolarHBondContact O-N 3.16Å; S236-S430 VanDerWaalsContact OG-CB 3.24Å; S236-S430 WeakPolarHBondContact OG-CB 3.41Å; S236-S430 PolarHBondContact OG-O 3.07Å; S430-I472 CarbonylContact C-O 3.54Å; S430-I472 VanDerWaalsContact CA-O 3.29Å; S430-I472 WeakPolarHBondContact CA-O 3.17Å; S430-S473 VanDerWaalsContact CB-OG 3.29Å; S430-S473 WeakPolarHBondContact CB-OG 3.5Å; S430-S473 WeakPolarHBondContact OG-CB 3.49Å; S430-S473 PolarHBondContact OG-OG 2.92Å; S430-S473 VanDerWaalsContact OG-OG 3.11Å
431	I	96.9	Very high	85	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	127.7	-168.9	-50.8	170.4	0	0	0	108.3	G234 L235 F370 V429 K471 I472 F474 F482	G234-I431 CarbonylContact O-C 3.49Å; G234-I431 WeakPolarHBondContact O-CA 3.3Å; L235-I431 HydrophobicContact CD2-CB 4.22Å; L235-I431 HydrophobicContact CD2-CG1 3.86Å; L235-I431 HydrophobicContact CD2-CG2 3.85Å; F370-I431 HydrophobicContact CD1-CD1 4.46Å; F370-I431 HydrophobicContact CE1-CD1 4.32Å; F370-I431 HydrophobicContact CE1-CG2 4.23Å; F370-I431 HydrophobicContact CE2-CD1 4.4Å; F370-I431 HydrophobicContact CZ-CD1 4.28Å; F370-I431 HydrophobicContact CZ-CG2 4.14Å; V429-I431 HydrophobicContact CG1-CD1 4.15Å; V429-I431 HydrophobicContact CG1-CG1 3.91Å; I431-K471 CarbonylContact O-C 3.54Å; I431-K471 WeakPolarHBondContact O-CA 3.48Å; I431-I472 HydrophobicContact CB-CG2 4.06Å; I431-I472 PolarHBondContact N-O 3.21Å; I431-I472 PolarHBondContact O-N 2.76Å; I431-F474 HydrophobicContact CD1-CE1 4.09Å; I431-F474 HydrophobicContact CD1-CZ 4.33Å; I431-F482 HydrophobicContact CD1-CD2 4.48Å; I431-F482 HydrophobicContact CD1-CE2 3.29Å; I431-F482 HydrophobicContact CD1-CZ 3.57Å
432	V	95.7	Very high	87.3	Confident	67 Å²	67	45.8 Å²	45.8	41%	0.406	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	124	162.3	-176.8	0	0	0	0	107.1	G234 K471	G234-V432 PolarHBondContact O-N 3.45Å; V432-K471 HydrophobicContact CG2-CG 4.42Å
433	L	93.3	Very high	89.6	Confident	25 Å²	25	43.7 Å²	43.7	13%	0.131	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-58.6	135.8	-177.6	-65.3	177.8	0	0	0	110.4	F439 P443 Y465 G470 I472 L484	L433-F439 HydrophobicContact CD1-CB 4.41Å; L433-F439 HydrophobicContact CD1-CD2 3.86Å; L433-F439 HydrophobicContact CD1-CG 4.46Å; L433-F439 HydrophobicContact CD2-CD2 4Å; L433-F439 HydrophobicContact CD2-CE2 3.89Å; L433-F439 HydrophobicContact CG-CD2 4.48Å; L433-P443 HydrophobicContact CD1-CG 4.47Å; L433-P443 HydrophobicContact CD2-CG 4.29Å; L433-Y465 HydrophobicContact CD1-CE2 3.76Å; L433-G470 WeakPolarHBondContact CB-O 3.25Å; L433-G470 VanDerWaalsContact CG-O 3.26Å; L433-G470 WeakPolarHBondContact CG-O 3.45Å; L433-G470 PolarHBondContact N-O 2.88Å; L433-I472 HydrophobicContact CD2-CG2 4.48Å; L433-L484 HydrophobicContact CD2-CD1 3.38Å
434	P	90.4	Very high	91.4	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-61.2	141.8	-180	-22.5	31.5	0	0	0	113.4	W436 V437	P434-W436 HydrophobicContact CB-CD2 3.58Å; P434-W436 HydrophobicContact CB-CE3 3.76Å; P434-W436 HydrophobicContact CB-CG 4.33Å; P434-W436 HydrophobicContact CB-CH2 3.63Å; P434-W436 HydrophobicContact CB-CZ2 3.42Å; P434-W436 VanDerWaalsContact CB-CZ2 3.42Å; P434-W436 HydrophobicContact CB-CZ3 3.78Å; P434-W436 HydrophobicContact CG-CH2 4.27Å; P434-W436 HydrophobicContact CG-CZ2 3.88Å; P434-W436 PolarHBondContact O-N 2.79Å; P434-V437 HydrophobicContact CB-CG2 4.19Å; P434-V437 HydrophobicContact CG-CG2 4.3Å; P434-V437 WeakPolarHBondContact O-CG2 3.32Å; P434-V437 PolarHBondContact O-N 3.1Å; P434-V437 VanDerWaalsContact O-N 3.07Å
435	E	88.4	Confident	92.8	Very high	153 Å²	153	40 Å²	40	72%	0.715	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.8	-177.5	-61.7	-174.5	168.7	0	0	114.4	G536 L537	E435-G536 WeakPolarHBondContact O-CA 3.42Å; E435-L537 PolarHBondContact O-N 2.92Å
436	W	90.5	Very high	93.4	Very high	88 Å²	88	37.7 Å²	37.7	33%	0.333	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	0.3	178.6	62.1	87.1	0	0	0	113.9	H254 H256 P434 H539	H254-W436 AromaticContact CE1-CZ2 3.93Å; H256-W436 HydrophobicContact CB-CZ2 4.19Å; H256-W436 AromaticContact CD2-CH2 3.97Å; H256-W436 AromaticContact CD2-CZ2 3.69Å; H256-W436 AromaticContact CE1-CH2 3.76Å; H256-W436 AromaticContact CG-CZ2 3.68Å; H256-W436 AromaticContact ND1-CZ2 3.93Å; H256-W436 AromaticContact NE2-CH2 3.74Å; H256-W436 AromaticContact NE2-CZ2 3.97Å; P434-W436 HydrophobicContact CB-CD2 3.58Å; P434-W436 HydrophobicContact CB-CE3 3.76Å; P434-W436 HydrophobicContact CB-CG 4.33Å; P434-W436 HydrophobicContact CB-CH2 3.63Å; P434-W436 HydrophobicContact CB-CZ2 3.42Å; P434-W436 VanDerWaalsContact CB-CZ2 3.42Å; P434-W436 HydrophobicContact CB-CZ3 3.78Å; P434-W436 HydrophobicContact CG-CH2 4.27Å; P434-W436 HydrophobicContact CG-CZ2 3.88Å; P434-W436 PolarHBondContact O-N 2.79Å; W436-H539 VanDerWaalsContact CA-CE1 3.45Å; W436-H539 WeakPolarHBondContact CA-CE1 3.21Å; W436-H539 PolarHBondContact O-CE1 3.26Å
437	V	92.1	Very high	93.6	Very high	8 Å²	8	36.5 Å²	36.5	5%	0.048	18%	0.179	C	C	.	.			trans	-126.1	153.8	174.4	-57.9	0	0	0	0	111.8	L366 P434 F439 A557	L366-V437 HydrophobicContact CD1-CB 3.93Å; L366-V437 HydrophobicContact CD1-CG1 3.57Å; L366-V437 HydrophobicContact CD2-CB 4.1Å; L366-V437 HydrophobicContact CG-CB 3.85Å; L366-V437 HydrophobicContact CG-CG1 3.91Å; L366-V437 HydrophobicContact CG-CG2 4.37Å; P434-V437 HydrophobicContact CB-CG2 4.19Å; P434-V437 HydrophobicContact CG-CG2 4.3Å; P434-V437 WeakPolarHBondContact O-CG2 3.32Å; P434-V437 PolarHBondContact O-N 3.1Å; P434-V437 VanDerWaalsContact O-N 3.07Å; V437-F439 HydrophobicContact CG2-CD2 4.35Å; V437-F439 HydrophobicContact CG2-CE2 3.99Å; V437-A557 CarbonylContact C-O 3.47Å; V437-A557 VanDerWaalsContact CA-O 3.26Å; V437-A557 WeakPolarHBondContact CA-O 3.36Å
438	I	90.6	Very high	93.7	Very high	22 Å²	22	37.6 Å²	37.6	11%	0.113	18%	0.183	C	C	.	.			trans	-126.3	133.5	171.6	-168.7	164	0	0	0	109.9	L366 M440 L537 A557 G558 I559	L366-I438 WeakPolarHBondContact CD2-O 2.91Å; I438-M440 HydrophobicContact CB-CE 4.4Å; I438-M440 HydrophobicContact CD1-CE 3.84Å; I438-M440 HydrophobicContact CD1-SD 3.92Å; I438-M440 HydrophobicContact CG1-CE 3.98Å; I438-M440 HydrophobicContact CG1-SD 3.94Å; I438-M440 HydrophobicContact CG2-CE 3.54Å; I438-L537 HydrophobicContact CG2-CD1 4.28Å; I438-L537 HydrophobicContact CG2-CD2 4.18Å; I438-L537 HydrophobicContact CG2-CG 4.48Å; I438-A557 WeakPolarHBondContact CG2-O 3.06Å; I438-A557 PolarHBondContact N-O 3.05Å; I438-G558 WeakPolarHBondContact O-CA 3.45Å; I438-I559 HydrophobicContact CG2-CG1 4.23Å
439	F	91.4	Very high	93.7	Very high	18 Å²	18	38.7 Å²	38.7	8%	0.079	19%	0.189	C	C	.	.			trans	-109.8	121.6	169.6	-75	-96.5	0	0	0	107.8	L366 L433 V437 P443 L484 R486	L366-F439 HydrophobicContact CB-CE1 3.99Å; L366-F439 HydrophobicContact CB-CE2 4.23Å; L366-F439 HydrophobicContact CB-CZ 3.57Å; L366-F439 HydrophobicContact CD2-CD1 4.1Å; L366-F439 HydrophobicContact CD2-CD2 3.92Å; L366-F439 HydrophobicContact CD2-CE1 3.87Å; L366-F439 HydrophobicContact CD2-CE2 3.69Å; L366-F439 HydrophobicContact CD2-CG 4.14Å; L366-F439 HydrophobicContact CD2-CZ 3.68Å; L366-F439 HydrophobicContact CG-CE1 4.34Å; L366-F439 HydrophobicContact CG-CE2 3.92Å; L366-F439 HydrophobicContact CG-CZ 3.78Å; L433-F439 HydrophobicContact CD1-CB 4.41Å; L433-F439 HydrophobicContact CD1-CD2 3.86Å; L433-F439 HydrophobicContact CD1-CG 4.46Å; L433-F439 HydrophobicContact CD2-CD2 4Å; L433-F439 HydrophobicContact CD2-CE2 3.89Å; L433-F439 HydrophobicContact CG-CD2 4.48Å; V437-F439 HydrophobicContact CG2-CD2 4.35Å; V437-F439 HydrophobicContact CG2-CE2 3.99Å; F439-P443 HydrophobicContact CB-CG 4.16Å; F439-P443 HydrophobicContact CD1-CB 3.75Å; F439-P443 HydrophobicContact CD1-CG 3.62Å; F439-P443 HydrophobicContact CD2-CG 4.19Å; F439-P443 HydrophobicContact CE1-CB 3.65Å; F439-P443 HydrophobicContact CE1-CG 3.93Å; F439-P443 HydrophobicContact CE2-CG 4.46Å; F439-P443 HydrophobicContact CG-CB 4.37Å; F439-P443 HydrophobicContact CG-CG 3.75Å; F439-P443 HydrophobicContact CZ-CB 4.19Å; F439-P443 HydrophobicContact CZ-CG 4.33Å; F439-L484 HydrophobicContact CE1-CB 4.3Å; F439-L484 HydrophobicContact CE2-CB 4.49Å; F439-L484 HydrophobicContact CZ-CB 3.68Å; F439-R486 HydrophobicContact CD1-CB 4.09Å; F439-R486 HydrophobicContact CE1-CB 4.08Å
440	M	85.8	Confident	93.4	Very high	54 Å²	54	42.2 Å²	42.2	27%	0.266	22%	0.218	S	C	.	.	S	Bend	trans	-84.8	-16.4	179.5	-54.3	-56.6	178.6	0	0	112.7	I438 L515 I516	I438-M440 HydrophobicContact CB-CE 4.4Å; I438-M440 HydrophobicContact CD1-CE 3.84Å; I438-M440 HydrophobicContact CD1-SD 3.92Å; I438-M440 HydrophobicContact CG1-CE 3.98Å; I438-M440 HydrophobicContact CG1-SD 3.94Å; I438-M440 HydrophobicContact CG2-CE 3.54Å; M440-L515 HydrophobicContact CB-CB 3.98Å; M440-L515 HydrophobicContact CB-CD1 3.63Å; M440-L515 HydrophobicContact CB-CG 4.45Å; M440-L515 HydrophobicContact CG-CB 4.38Å; M440-I516 HydrophobicContact CE-CB 3.96Å; M440-I516 HydrophobicContact CE-CD1 3.32Å; M440-I516 HydrophobicContact CE-CG1 4.21Å; M440-I516 HydrophobicContact CE-CG2 4Å; M440-I516 HydrophobicContact SD-CB 4.35Å; M440-I516 HydrophobicContact SD-CD1 4.21Å
441	E	90.6	Very high	93.1	Very high	99 Å²	99	46 Å²	46	46%	0.463	25%	0.25	S	S	.	.	S	Bend	trans	-131.3	167.7	176.5	-59.9	-177.2	122.3	0	0	108.2	P443 L515	E441-P443 WeakPolarHBondContact O-CD 3.21Å; E441-L515 HydrophobicContact CG-CD1 3.66Å
442	M	93	Very high	92.8	Very high	119 Å²	119	50 Å²	50	59%	0.586	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-55.6	126.1	173.4	179.1	174.4	64.3	0	0	110.2	L444 Y465	M442-L444 PolarHBondContact O-N 3.44Å; M442-Y465 HydrophobicContact CB-CD1 4.12Å; M442-Y465 HydrophobicContact CG-CD1 4.21Å; M442-Y465 HydrophobicContact CG-CG 4.16Å
443	P	95.1	Very high	92.6	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.032	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-59.7	138	179.1	-20.4	28.7	0	0	0	112.1	L433 F439 E441 I472 L484	L433-P443 HydrophobicContact CD1-CG 4.47Å; L433-P443 HydrophobicContact CD2-CG 4.29Å; F439-P443 HydrophobicContact CB-CG 4.16Å; F439-P443 HydrophobicContact CD1-CB 3.75Å; F439-P443 HydrophobicContact CD1-CG 3.62Å; F439-P443 HydrophobicContact CD2-CG 4.19Å; F439-P443 HydrophobicContact CE1-CB 3.65Å; F439-P443 HydrophobicContact CE1-CG 3.93Å; F439-P443 HydrophobicContact CE2-CG 4.46Å; F439-P443 HydrophobicContact CG-CB 4.37Å; F439-P443 HydrophobicContact CG-CG 3.75Å; F439-P443 HydrophobicContact CZ-CB 4.19Å; F439-P443 HydrophobicContact CZ-CG 4.33Å; E441-P443 WeakPolarHBondContact O-CD 3.21Å; P443-I472 HydrophobicContact CB-CD1 4.07Å; P443-I472 HydrophobicContact CG-CD1 4.18Å; P443-L484 HydrophobicContact CB-CB 4.25Å; P443-L484 HydrophobicContact CB-CD2 4.38Å
444	L	96.7	Very high	92.6	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.236	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125	164.3	177.1	68.5	0	0	0	108.2	V358 Y363 M442 K457 L484 M485	V358-L444 HydrophobicContact CG1-CD2 4.45Å; V358-L444 HydrophobicContact CG2-CD2 4.37Å; Y363-L444 HydrophobicContact CD1-CB 4.37Å; Y363-L444 HydrophobicContact CD1-CD2 3.72Å; Y363-L444 HydrophobicContact CD2-CD2 4.36Å; Y363-L444 HydrophobicContact CE1-CB 4.33Å; Y363-L444 HydrophobicContact CE1-CD2 3.83Å; Y363-L444 HydrophobicContact CE2-CD2 4.47Å; Y363-L444 HydrophobicContact CG-CD2 4.01Å; M442-L444 PolarHBondContact O-N 3.44Å; L444-K457 HydrophobicContact CD1-CD 4.4Å; L444-K457 HydrophobicContact CD1-CG 4.25Å; L444-K457 HydrophobicContact CD2-CD 4.48Å; L444-K457 HydrophobicContact CD2-CG 4.41Å; L444-L484 CarbonylContact O-C 3.4Å; L444-M485 HydrophobicContact CB-CB 4.24Å; L444-M485 PolarHBondContact N-O 2.92Å; L444-M485 PolarHBondContact O-N 3.04Å
445	V	97.7	Very high	92.9	Very high	8 Å²	8	46.8 Å²	46.8	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.7	171	-169.9	0	0	0	0	107.8	I460 V463 I472 F474 L484	V445-I460 HydrophobicContact CB-CD1 3.99Å; V445-I460 HydrophobicContact CB-CG2 4.24Å; V445-I460 HydrophobicContact CG1-CD1 3.79Å; V445-I460 HydrophobicContact CG1-CG2 4.33Å; V445-I460 WeakPolarHBondContact O-CD1 3.22Å; V445-V463 HydrophobicContact CG2-CG1 4.45Å; V445-I472 HydrophobicContact CG2-CD1 3.56Å; V445-I472 HydrophobicContact CG2-CG1 4.5Å; V445-F474 HydrophobicContact CG1-CD1 4.14Å; V445-F474 HydrophobicContact CG1-CD2 4.01Å; V445-F474 HydrophobicContact CG1-CE1 3.83Å; V445-F474 HydrophobicContact CG1-CE2 3.69Å; V445-F474 HydrophobicContact CG1-CG 4.23Å; V445-F474 HydrophobicContact CG1-CZ 3.6Å; V445-F474 HydrophobicContact CG2-CD1 3.84Å; V445-F474 HydrophobicContact CG2-CE1 4.02Å; V445-F474 HydrophobicContact CG2-CG 4.29Å; V445-L484 HydrophobicContact CG1-CD2 4.48Å; V445-L484 HydrophobicContact CG2-CD2 3.89Å
446	A	97.6	Very high	93.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	137.5	177.1	0	0	0	0	0	110.8	V358 W455 R456 F482 A483 M485	V358-A446 HydrophobicContact CG2-CB 3.84Å; A446-W455 HydrophobicContact CB-CB 4.3Å; A446-W455 HydrophobicContact CB-CE3 4.17Å; A446-R456 CarbonylContact C-O 3.49Å; A446-R456 VanDerWaalsContact CA-O 3.31Å; A446-R456 WeakPolarHBondContact CA-O 3.36Å; A446-F482 CarbonylContact O-C 3.55Å; A446-F482 WeakPolarHBondContact O-CA 3.45Å; A446-F482 VanDerWaalsContact O-CB 3.31Å; A446-F482 WeakPolarHBondContact O-CB 3.39Å; A446-A483 PolarHBondContact N-O 3.34Å; A446-A483 PolarHBondContact O-N 3.23Å; A446-M485 HydrophobicContact CB-CE 3.88Å; A446-M485 HydrophobicContact CB-CG 4.4Å; A446-M485 HydrophobicContact CB-SD 3.73Å
447	R	96.6	Very high	93.5	Very high	25 Å²	25	39.8 Å²	39.8	9%	0.094	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.3	173.7	64.2	167.7	-172.1	90.5	-6.7	110.7	D449 W455 R456 D458 M476 Q480 I481	R447-D449 IonicContact NH1-OD2 2.94Å; R447-W455 CarbonylContact O-C 3.55Å; R447-W455 WeakPolarHBondContact O-CA 3.45Å; R447-R456 HydrophobicContact CG-CB 4.31Å; R447-R456 WeakPolarHBondContact CG-O 3.22Å; R447-R456 PolarHBondContact N-O 3.48Å; R447-R456 PolarHBondContact O-N 2.96Å; R447-D458 WeakPolarHBondContact CD-O 3.42Å; R447-D458 IonicContact CZ-OD1 3.86Å; R447-D458 IonicContact CZ-OD2 3.92Å; R447-D458 PolarHBondContact NE-O 3.29Å; R447-D458 IonicContact NE-OD1 3.19Å; R447-D458 PolarHBondContact NE-OD1 3.35Å; R447-D458 IonicContact NE-OD2 2.69Å; R447-D458 IonicContact NH2-OD1 3.36Å; R447-D458 PolarHBondContact NH2-OD1 3.46Å; R447-D458 IonicContact NH2-OD2 3.09Å; R447-D458 PolarHBondContact NH2-OD2 2.96Å; R447-M476 HydrophobicContact CB-CE 3.83Å; R447-Q480 VanDerWaalsContact CD-OE1 3.24Å; R447-I481 CarbonylContact C-O 3.57Å; R447-I481 WeakPolarHBondContact CA-O 3.31Å
448	W	96.8	Very high	93.5	Very high	22 Å²	22	41.7 Å²	41.7	8%	0.083	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.7	173.7	-176.2	-110.8	0	0	0	110.1	L260 G453 W455 I481	L260-W448 HydrophobicContact CB-CD2 4.27Å; L260-W448 HydrophobicContact CB-CE3 4.07Å; L260-W448 HydrophobicContact CB-CH2 4.07Å; L260-W448 HydrophobicContact CB-CZ2 4.27Å; L260-W448 HydrophobicContact CB-CZ3 3.96Å; L260-W448 HydrophobicContact CD1-CB 4.42Å; L260-W448 HydrophobicContact CD1-CD2 3.93Å; L260-W448 HydrophobicContact CD1-CE3 4.39Å; L260-W448 HydrophobicContact CD1-CG 3.93Å; L260-W448 HydrophobicContact CD2-CZ2 4.42Å; L260-W448 VanDerWaalsContact O-CH2 3.26Å; L260-W448 WeakPolarHBondContact O-CH2 3.33Å; W448-G453 WeakPolarHBondContact CH2-O 3.37Å; W448-W455 HydrophobicContact CB-CE3 4.06Å; W448-W455 HydrophobicContact CB-CH2 4.22Å; W448-W455 HydrophobicContact CB-CZ3 3.75Å; W448-W455 AromaticContact CE3-CD1 3.97Å; W448-W455 AromaticContact CE3-CD2 3.61Å; W448-W455 HydrophobicContact CE3-CD2 3.61Å; W448-W455 AromaticContact CE3-CE2 3.57Å; W448-W455 HydrophobicContact CE3-CE3 4.07Å; W448-W455 AromaticContact CE3-CG 3.92Å; W448-W455 HydrophobicContact CE3-CG 3.92Å; W448-W455 HydrophobicContact CE3-CH2 4.41Å; W448-W455 HydrophobicContact CE3-CZ2 4.03Å; W448-W455 HydrophobicContact CE3-CZ3 4.42Å; W448-W455 AromaticContact CE3-NE1 3.82Å; W448-W455 AromaticContact CZ3-CD1 3.77Å; W448-W455 HydrophobicContact CZ3-CD2 4.2Å; W448-W455 AromaticContact CZ3-CE2 3.94Å; W448-W455 HydrophobicContact CZ3-CG 4.14Å; W448-W455 AromaticContact CZ3-NE1 3.69Å; W448-I481 HydrophobicContact CB-CB 3.85Å; W448-I481 HydrophobicContact CB-CG2 4.17Å; W448-I481 PolarHBondContact N-O 3.17Å
449	D	94.6	Very high	93.6	Very high	27 Å²	27	41 Å²	41	14%	0.144	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	105	165.2	-166.8	-41.8	0	0	0	109.1	R447 A451 E452 G453 R454 R456	R447-D449 IonicContact NH1-OD2 2.94Å; D449-A451 VanDerWaalsContact C-N 3.3Å; D449-A451 PolarHBondContact O-N 3.37Å; D449-A451 WeakPolarHBondContact OD1-CA 3.14Å; D449-A451 WeakPolarHBondContact OD1-CB 3.29Å; D449-A451 PolarHBondContact OD1-N 2.84Å; D449-E452 HydrophobicContact CB-CB 4.38Å; D449-E452 PolarHBondContact OD1-N 3.49Å; D449-G453 WeakPolarHBondContact O-CA 3.45Å; D449-G453 PolarHBondContact O-N 3.25Å; D449-R454 PolarHBondContact N-O 2.93Å; D449-R454 PolarHBondContact O-N 3.43Å; D449-R454 VanDerWaalsContact O-N 3.17Å; D449-R456 HydrophobicContact CB-CG 4.19Å
450	A	90.6	Very high	93.7	Very high	75 Å²	75	41.4 Å²	41.4	62%	0.62	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-26.9	-179.8	0	0	0	0	0	113.3
451	A	90.9	Very high	94.2	Very high	91 Å²	91	42.4 Å²	42.4	75%	0.752	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-46	-178.8	0	0	0	0	0	110.7	D449	D449-A451 VanDerWaalsContact C-N 3.3Å; D449-A451 PolarHBondContact O-N 3.37Å; D449-A451 WeakPolarHBondContact OD1-CA 3.14Å; D449-A451 WeakPolarHBondContact OD1-CB 3.29Å; D449-A451 PolarHBondContact OD1-N 2.84Å
452	E	90.1	Very high	94.4	Very high	85 Å²	85	43 Å²	43	40%	0.397	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-20.7	177.1	-63.7	-176.8	167.2	0	0	112.3	H268 D449 R454 R456	H268-E452 PolarHBondContact CE1-O 2.84Å; H268-E452 PolarHBondContact NE2-O 2.78Å; D449-E452 HydrophobicContact CB-CB 4.38Å; D449-E452 PolarHBondContact OD1-N 3.49Å; E452-R454 HydrophobicContact CB-CB 4.46Å; E452-R454 HydrophobicContact CB-CG 4.31Å; E452-R456 IonicContact OE1-NH1 3.02Å; E452-R456 PolarHBondContact OE1-NH1 2.99Å; E452-R456 IonicContact OE2-CZ 3.63Å; E452-R456 IonicContact OE2-NH1 3.24Å; E452-R456 PolarHBondContact OE2-NH1 3.06Å
453	G	91.5	Very high	94.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	48.3	-173.2	0	0	0	0	0	112	S264 W448 D449	S264-G453 VanDerWaalsContact CA-O 3.3Å; S264-G453 WeakPolarHBondContact CA-O 3.49Å; S264-G453 WeakPolarHBondContact CB-O 3.43Å; S264-G453 PolarHBondContact OG-O 2.86Å; W448-G453 WeakPolarHBondContact CH2-O 3.37Å; D449-G453 WeakPolarHBondContact O-CA 3.45Å; D449-G453 PolarHBondContact O-N 3.25Å
454	R	94.1	Very high	94.7	Very high	37 Å²	37	42.5 Å²	42.5	14%	0.14	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.7	-174.8	-67.3	-178.6	176.1	-149.3	-5	111.9	H268 E352 D449 E452	H268-R454 VanDerWaalsContact CD2-CG 3.4Å; H268-R454 WeakPolarHBondContact CD2-CG 3.36Å; H268-R454 PolarHBondContact CD2-NE 3.18Å; H268-R454 PolarHBondContact CE1-NE 3.47Å; H268-R454 PolarHBondContact CE1-NH2 2.86Å; H268-R454 VanDerWaalsContact CG-NE 3.27Å; H268-R454 PolarHBondContact ND1-NE 3.41Å; H268-R454 PolarHBondContact ND1-NH2 3.38Å; H268-R454 VanDerWaalsContact NE2-CG 3.31Å; H268-R454 WeakPolarHBondContact NE2-CG 3.3Å; H268-R454 PolarHBondContact NE2-NE 3Å; E352-R454 IonicContact OE1-CZ 2.7Å; E352-R454 IonicContact OE1-NH1 3.72Å; E352-R454 PolarHBondContact OE1-NH1 3.13Å; E352-R454 IonicContact OE1-NH2 2.85Å; E352-R454 PolarHBondContact OE1-NH2 2.86Å; E352-R454 IonicContact OE2-CZ 3.87Å; E352-R454 IonicContact OE2-NH1 3.16Å; E352-R454 PolarHBondContact OE2-NH1 2.88Å; E352-R454 IonicContact OE2-NH2 3.18Å; D449-R454 PolarHBondContact N-O 2.93Å; D449-R454 PolarHBondContact O-N 3.43Å; D449-R454 VanDerWaalsContact O-N 3.17Å; E452-R454 HydrophobicContact CB-CB 4.46Å; E452-R454 HydrophobicContact CB-CG 4.31Å
455	W	96.4	Very high	94.6	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.7	168.9	-66.6	107.6	0	0	0	110.6	L260 S261 V358 L360 V369 A446 R447 W448 I481 A483 M485	L260-W455 HydrophobicContact CB-CZ2 3.79Å; L260-W455 HydrophobicContact CD1-CH2 4.07Å; L260-W455 HydrophobicContact CD1-CZ2 4.11Å; S261-W455 PolarHBondContact OG-NE1 2.75Å; V358-W455 HydrophobicContact CB-CB 3.94Å; V358-W455 HydrophobicContact CG2-CB 4.02Å; V358-W455 PolarHBondContact N-O 2.79Å; L360-W455 HydrophobicContact CD2-CG 4.42Å; V369-W455 HydrophobicContact CG1-CH2 4.1Å; V369-W455 HydrophobicContact CG2-CH2 4.18Å; V369-W455 HydrophobicContact CG2-CZ2 4.11Å; A446-W455 HydrophobicContact CB-CB 4.3Å; A446-W455 HydrophobicContact CB-CE3 4.17Å; R447-W455 CarbonylContact O-C 3.55Å; R447-W455 WeakPolarHBondContact O-CA 3.45Å; W448-W455 HydrophobicContact CB-CE3 4.06Å; W448-W455 HydrophobicContact CB-CH2 4.22Å; W448-W455 HydrophobicContact CB-CZ3 3.75Å; W448-W455 AromaticContact CE3-CD1 3.97Å; W448-W455 AromaticContact CE3-CD2 3.61Å; W448-W455 HydrophobicContact CE3-CD2 3.61Å; W448-W455 AromaticContact CE3-CE2 3.57Å; W448-W455 HydrophobicContact CE3-CE3 4.07Å; W448-W455 AromaticContact CE3-CG 3.92Å; W448-W455 HydrophobicContact CE3-CG 3.92Å; W448-W455 HydrophobicContact CE3-CH2 4.41Å; W448-W455 HydrophobicContact CE3-CZ2 4.03Å; W448-W455 HydrophobicContact CE3-CZ3 4.42Å; W448-W455 AromaticContact CE3-NE1 3.82Å; W448-W455 AromaticContact CZ3-CD1 3.77Å; W448-W455 HydrophobicContact CZ3-CD2 4.2Å; W448-W455 AromaticContact CZ3-CE2 3.94Å; W448-W455 HydrophobicContact CZ3-CG 4.14Å; W448-W455 AromaticContact CZ3-NE1 3.69Å; W455-I481 HydrophobicContact CH2-CG2 4.3Å; W455-A483 HydrophobicContact CE3-CB 4.37Å; W455-A483 HydrophobicContact CH2-CB 3.51Å; W455-A483 HydrophobicContact CZ2-CB 4.01Å; W455-A483 HydrophobicContact CZ3-CB 3.71Å; W455-M485 HydrophobicContact CB-CE 3.76Å; W455-M485 HydrophobicContact CD2-CE 3.4Å; W455-M485 HydrophobicContact CE3-CE 3.95Å; W455-M485 HydrophobicContact CG-CE 3.32Å; W455-M485 HydrophobicContact CZ2-CE 4.49Å
456	R	95.6	Very high	94.5	Very high	27 Å²	27	46.5 Å²	46.5	10%	0.102	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.3	-179.7	-54.1	-173	66.4	128.5	11.3	112.2	D354 E356 A446 R447 D449 E452 D458	D354-R456 IonicContact OD1-NH2 2.65Å; D354-R456 IonicContact OD2-CZ 3.9Å; D354-R456 IonicContact OD2-NH1 3.86Å; D354-R456 IonicContact OD2-NH2 3.37Å; D354-R456 PolarHBondContact OD2-NH2 3.07Å; E356-R456 CarbonylContact O-C 3.59Å; E356-R456 WeakPolarHBondContact O-CA 3.35Å; A446-R456 CarbonylContact C-O 3.49Å; A446-R456 VanDerWaalsContact CA-O 3.31Å; A446-R456 WeakPolarHBondContact CA-O 3.36Å; R447-R456 HydrophobicContact CG-CB 4.31Å; R447-R456 WeakPolarHBondContact CG-O 3.22Å; R447-R456 PolarHBondContact N-O 3.48Å; R447-R456 PolarHBondContact O-N 2.96Å; D449-R456 HydrophobicContact CB-CG 4.19Å; E452-R456 IonicContact OE1-NH1 3.02Å; E452-R456 PolarHBondContact OE1-NH1 2.99Å; E452-R456 IonicContact OE2-CZ 3.63Å; E452-R456 IonicContact OE2-NH1 3.24Å; E452-R456 PolarHBondContact OE2-NH1 3.06Å; R456-D458 WeakPolarHBondContact CB-OD1 3.39Å; R456-D458 IonicContact NE-OD1 2.66Å; R456-D458 PolarHBondContact NE-OD1 3.08Å; R456-D458 IonicContact NE-OD2 3.46Å
457	K	94.9	Very high	94.1	Very high	68 Å²	68	53.7 Å²	53.7	30%	0.296	29%	0.292	S	S	.	.			trans	-96.3	-19.5	-177.3	-63.3	171.3	-121.8	165.9	0	113.3	T355 E356 V357 V358 L444	T355-K457 WeakPolarHBondContact O-CE 3.48Å; T355-K457 PolarHBondContact O-NZ 3.26Å; E356-K457 PolarHBondContact O-N 2.95Å; V357-K457 VanDerWaalsContact O-CE 3.25Å; V357-K457 WeakPolarHBondContact O-CE 3.34Å; V357-K457 PolarHBondContact O-NZ 2.91Å; V358-K457 HydrophobicContact CG2-CD 4.48Å; V358-K457 HydrophobicContact CG2-CG 3.77Å; L444-K457 HydrophobicContact CD1-CD 4.4Å; L444-K457 HydrophobicContact CD1-CG 4.25Å; L444-K457 HydrophobicContact CD2-CD 4.48Å; L444-K457 HydrophobicContact CD2-CG 4.41Å
458	D	93.9	Very high	93.7	Very high	47 Å²	47	56.4 Å²	56.4	25%	0.251	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	163.3	-179.6	65.1	-30.8	0	0	0	112	E356 R447 R456 I460	E356-D458 HydrophobicContact CB-CB 4.27Å; E356-D458 HydrophobicContact CG-CB 4.16Å; E356-D458 PolarHBondContact OE2-N 3.45Å; R447-D458 WeakPolarHBondContact CD-O 3.42Å; R447-D458 IonicContact CZ-OD1 3.86Å; R447-D458 IonicContact CZ-OD2 3.92Å; R447-D458 PolarHBondContact NE-O 3.29Å; R447-D458 IonicContact NE-OD1 3.19Å; R447-D458 PolarHBondContact NE-OD1 3.35Å; R447-D458 IonicContact NE-OD2 2.69Å; R447-D458 IonicContact NH2-OD1 3.36Å; R447-D458 PolarHBondContact NH2-OD1 3.46Å; R447-D458 IonicContact NH2-OD2 3.09Å; R447-D458 PolarHBondContact NH2-OD2 2.96Å; R456-D458 WeakPolarHBondContact CB-OD1 3.39Å; R456-D458 IonicContact NE-OD1 2.66Å; R456-D458 PolarHBondContact NE-OD1 3.08Å; R456-D458 IonicContact NE-OD2 3.46Å; D458-I460 PolarHBondContact O-N 3.5Å
459	G	90.9	Very high	93.2	Very high	9 Å²	9	60.8 Å²	60.8	9%	0.093	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	11.7	-178.9	0	0	0	0	0	114.7	M476 E477	G459-M476 VanDerWaalsContact O-CA 3.3Å; G459-M476 WeakPolarHBondContact O-CA 3.34Å; G459-E477 PolarHBondContact O-N 3.45Å; G459-E477 VanDerWaalsContact O-N 3.11Å
460	I	95.3	Very high	93.1	Very high	25 Å²	25	60.2 Å²	60.2	13%	0.128	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.2	175.3	-58	165.4	0	0	0	108.5	V445 D458 V463 F474 E475	V445-I460 HydrophobicContact CB-CD1 3.99Å; V445-I460 HydrophobicContact CB-CG2 4.24Å; V445-I460 HydrophobicContact CG1-CD1 3.79Å; V445-I460 HydrophobicContact CG1-CG2 4.33Å; V445-I460 WeakPolarHBondContact O-CD1 3.22Å; D458-I460 PolarHBondContact O-N 3.5Å; I460-V463 HydrophobicContact CG2-CG2 3.65Å; I460-F474 HydrophobicContact CG2-CB 4.21Å; I460-F474 HydrophobicContact CG2-CD2 4.13Å; I460-F474 HydrophobicContact CG2-CG 4.39Å; I460-E475 WeakPolarHBondContact CA-O 3.42Å
461	I	95.1	Very high	93.3	Very high	76 Å²	76	59.2 Å²	59.2	39%	0.39	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	167.8	-177.9	62.3	174.2	0	0	0	111	P426 V463 E475	P426-I461 HydrophobicContact CB-CD1 4.16Å; P426-I461 HydrophobicContact CG-CD1 4.16Å; I461-V463 PolarHBondContact O-N 2.92Å; I461-V463 VanDerWaalsContact O-N 3.16Å; I461-E475 HydrophobicContact CD1-CB 4.35Å; I461-E475 HydrophobicContact CG1-CB 3.69Å; I461-E475 PolarHBondContact N-O 2.92Å; I461-E475 PolarHBondContact O-N 3.44Å
462	N	95.1	Very high	93.6	Very high	110 Å²	110	54.9 Å²	54.9	59%	0.588	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	53.7	37.5	173.8	-61.2	-30.5	0	0	0	114.1	S464 E475	N462-S464 PolarHBondContact O-N 2.95Å; N462-E475 HydrophobicContact CB-CB 4.43Å; N462-E475 PolarHBondContact ND2-OE2 3.34Å
463	V	97.1	Very high	94	Very high	63 Å²	63	51.6 Å²	51.6	38%	0.382	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.9	177.5	-173	0	0	0	0	109.9	V445 I460 I461 I472 S473 F474	V445-V463 HydrophobicContact CG2-CG1 4.45Å; I460-V463 HydrophobicContact CG2-CG2 3.65Å; I461-V463 PolarHBondContact O-N 2.92Å; I461-V463 VanDerWaalsContact O-N 3.16Å; V463-I472 HydrophobicContact CG1-CD1 4.16Å; V463-I472 HydrophobicContact CG1-CG1 4.33Å; V463-S473 CarbonylContact C-O 3.49Å; V463-S473 WeakPolarHBondContact CA-O 3.48Å; V463-F474 HydrophobicContact CB-CB 4.37Å; V463-F474 HydrophobicContact CG2-CB 3.9Å
464	S	96.7	Very high	94.3	Very high	51 Å²	51	51.9 Å²	51.9	36%	0.357	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.7	174.3	64.6	0	0	0	0	109.9	N462 I472 S473	N462-S464 PolarHBondContact O-N 2.95Å; S464-I472 WeakPolarHBondContact O-CA 3.11Å; S464-S473 PolarHBondContact N-O 3.05Å; S464-S473 PolarHBondContact O-N 3.27Å; S464-S473 PolarHBondContact OG-O 2.81Å
465	Y	96.1	Very high	94.4	Very high	55 Å²	55	52.3 Å²	52.3	22%	0.216	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.9	178.4	179.5	-123.6	0	0	0	111	L433 M442 E467 K471 I472	L433-Y465 HydrophobicContact CD1-CE2 3.76Å; M442-Y465 HydrophobicContact CB-CD1 4.12Å; M442-Y465 HydrophobicContact CG-CD1 4.21Å; M442-Y465 HydrophobicContact CG-CG 4.16Å; Y465-E467 HydrophobicContact CD1-CB 4.29Å; Y465-E467 HydrophobicContact CE1-CB 3.77Å; Y465-E467 HydrophobicContact CE1-CG 3.97Å; Y465-K471 WeakPolarHBondContact CD2-O 3.31Å; Y465-I472 HydrophobicContact CD2-CB 4.1Å
466	E	94.6	Very high	94.3	Very high	83 Å²	83	52.2 Å²	52.2	39%	0.388	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	87	177.2	-65.3	173	-152.1	0	0	108.7	A468 E469 G470 K471	E466-A468 VanDerWaalsContact C-N 3.29Å; E466-A468 PolarHBondContact O-N 3.41Å; E466-E469 HydrophobicContact CB-CB 4.42Å; E466-E469 PolarHBondContact O-N 3.01Å; E466-E469 VanDerWaalsContact O-N 3.1Å; E466-G470 PolarHBondContact O-N 2.86Å; E466-K471 HydrophobicContact CB-CB 4.37Å; E466-K471 PolarHBondContact N-O 3.29Å; E466-K471 PolarHBondContact O-N 3.25Å; E466-K471 VanDerWaalsContact O-N 3.14Å
467	E	89.1	Confident	94.1	Very high	151 Å²	151	56.8 Å²	56.8	71%	0.706	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-38.3	-173	-171	-178.8	175.6	0	0	113.4	Y465 E469 G470	Y465-E467 HydrophobicContact CD1-CB 4.29Å; Y465-E467 HydrophobicContact CE1-CB 3.77Å; Y465-E467 HydrophobicContact CE1-CG 3.97Å; E467-E469 VanDerWaalsContact C-N 3.3Å; E467-E469 PolarHBondContact O-N 3.32Å; E467-G470 PolarHBondContact O-N 3.15Å; E467-G470 VanDerWaalsContact O-N 3.15Å
468	A	88.1	Confident	94	Very high	82 Å²	82	54.4 Å²	54.4	68%	0.678	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-30.5	179.9	0	0	0	0	0	113.5	E466 R535	E466-A468 VanDerWaalsContact C-N 3.29Å; E466-A468 PolarHBondContact O-N 3.41Å; A468-R535 VanDerWaalsContact O-CZ 3.27Å; A468-R535 PolarHBondContact O-NH1 3.49Å; A468-R535 PolarHBondContact O-NH2 3.27Å
469	E	87.4	Confident	94	Very high	114 Å²	114	53.4 Å²	53.4	53%	0.533	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-14.1	175.4	-60.2	-162.1	173.9	0	0	111.8	E466 E467 K471	E466-E469 HydrophobicContact CB-CB 4.42Å; E466-E469 PolarHBondContact O-N 3.01Å; E466-E469 VanDerWaalsContact O-N 3.1Å; E467-E469 VanDerWaalsContact C-N 3.3Å; E467-E469 PolarHBondContact O-N 3.32Å; E469-K471 VanDerWaalsContact C-N 3.26Å; E469-K471 HydrophobicContact CB-CB 4.02Å
470	G	91.2	Very high	94.2	Very high	14 Å²	14	55.6 Å²	55.6	14%	0.144	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	39.3	-169.3	0	0	0	0	0	110.6	L433 E466 E467	L433-G470 WeakPolarHBondContact CB-O 3.25Å; L433-G470 VanDerWaalsContact CG-O 3.26Å; L433-G470 WeakPolarHBondContact CG-O 3.45Å; L433-G470 PolarHBondContact N-O 2.88Å; E466-G470 PolarHBondContact O-N 2.86Å; E467-G470 PolarHBondContact O-N 3.15Å; E467-G470 VanDerWaalsContact O-N 3.15Å
471	K	95.1	Very high	94.3	Very high	55 Å²	55	55.8 Å²	55.8	24%	0.239	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.4	-173.9	-174.4	-178.2	-180	-179.4	0	110.8	I431 V432 Y465 E466 E469	I431-K471 CarbonylContact O-C 3.54Å; I431-K471 WeakPolarHBondContact O-CA 3.48Å; V432-K471 HydrophobicContact CG2-CG 4.42Å; Y465-K471 WeakPolarHBondContact CD2-O 3.31Å; E466-K471 HydrophobicContact CB-CB 4.37Å; E466-K471 PolarHBondContact N-O 3.29Å; E466-K471 PolarHBondContact O-N 3.25Å; E466-K471 VanDerWaalsContact O-N 3.14Å; E469-K471 VanDerWaalsContact C-N 3.26Å; E469-K471 HydrophobicContact CB-CB 4.02Å
472	I	97.4	Very high	94.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	134.3	173.2	-168.1	168.6	0	0	0	109.7	S430 I431 L433 P443 V445 V463 S464 Y465 F474 L484	S430-I472 CarbonylContact C-O 3.54Å; S430-I472 VanDerWaalsContact CA-O 3.29Å; S430-I472 WeakPolarHBondContact CA-O 3.17Å; I431-I472 HydrophobicContact CB-CG2 4.06Å; I431-I472 PolarHBondContact N-O 3.21Å; I431-I472 PolarHBondContact O-N 2.76Å; L433-I472 HydrophobicContact CD2-CG2 4.48Å; P443-I472 HydrophobicContact CB-CD1 4.07Å; P443-I472 HydrophobicContact CG-CD1 4.18Å; V445-I472 HydrophobicContact CG2-CD1 3.56Å; V445-I472 HydrophobicContact CG2-CG1 4.5Å; V463-I472 HydrophobicContact CG1-CD1 4.16Å; V463-I472 HydrophobicContact CG1-CG1 4.33Å; S464-I472 WeakPolarHBondContact O-CA 3.11Å; Y465-I472 HydrophobicContact CD2-CB 4.1Å; I472-F474 HydrophobicContact CG1-CD1 4.32Å; I472-L484 HydrophobicContact CD1-CD2 4.29Å; I472-L484 HydrophobicContact CG2-CD1 4.04Å; I472-L484 HydrophobicContact CG2-CD2 4.15Å
473	S	97.9	Very high	94.5	Very high	16 Å²	16	47 Å²	47	11%	0.112	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.1	176.5	-48.2	0	0	0	0	109.4	V429 S430 V463 S464	V429-S473 WeakPolarHBondContact O-CA 3.42Å; S430-S473 VanDerWaalsContact CB-OG 3.29Å; S430-S473 WeakPolarHBondContact CB-OG 3.5Å; S430-S473 WeakPolarHBondContact OG-CB 3.49Å; S430-S473 PolarHBondContact OG-OG 2.92Å; S430-S473 VanDerWaalsContact OG-OG 3.11Å; V463-S473 CarbonylContact C-O 3.49Å; V463-S473 WeakPolarHBondContact CA-O 3.48Å; S464-S473 PolarHBondContact N-O 3.05Å; S464-S473 PolarHBondContact O-N 3.27Å; S464-S473 PolarHBondContact OG-O 2.81Å
474	F	97.8	Very high	94.6	Very high	6 Å²	6	44 Å²	44	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	170.5	179.9	57	-88.5	0	0	0	110.1	V429 I431 V445 I460 V463 I472 M476 F482	V429-F474 HydrophobicContact CB-CE1 4.46Å; V429-F474 HydrophobicContact CB-CE2 4.04Å; V429-F474 HydrophobicContact CB-CZ 3.97Å; V429-F474 HydrophobicContact CG1-CE1 4.49Å; V429-F474 HydrophobicContact CG1-CZ 4.08Å; V429-F474 HydrophobicContact CG2-CE2 4.41Å; V429-F474 PolarHBondContact N-O 2.93Å; V429-F474 PolarHBondContact O-N 2.52Å; I431-F474 HydrophobicContact CD1-CE1 4.09Å; I431-F474 HydrophobicContact CD1-CZ 4.33Å; V445-F474 HydrophobicContact CG1-CD1 4.14Å; V445-F474 HydrophobicContact CG1-CD2 4.01Å; V445-F474 HydrophobicContact CG1-CE1 3.83Å; V445-F474 HydrophobicContact CG1-CE2 3.69Å; V445-F474 HydrophobicContact CG1-CG 4.23Å; V445-F474 HydrophobicContact CG1-CZ 3.6Å; V445-F474 HydrophobicContact CG2-CD1 3.84Å; V445-F474 HydrophobicContact CG2-CE1 4.02Å; V445-F474 HydrophobicContact CG2-CG 4.29Å; I460-F474 HydrophobicContact CG2-CB 4.21Å; I460-F474 HydrophobicContact CG2-CD2 4.13Å; I460-F474 HydrophobicContact CG2-CG 4.39Å; V463-F474 HydrophobicContact CB-CB 4.37Å; V463-F474 HydrophobicContact CG2-CB 3.9Å; I472-F474 HydrophobicContact CG1-CD1 4.32Å; F474-M476 HydrophobicContact CD2-CG 3.89Å; F474-M476 HydrophobicContact CD2-SD 4.47Å; F474-M476 HydrophobicContact CE2-CG 3.78Å; F474-M476 HydrophobicContact CE2-SD 3.76Å; F474-F482 HydrophobicContact CE1-CE2 4.44Å; F474-F482 HydrophobicContact CE2-CD2 4.46Å; F474-F482 HydrophobicContact CE2-CG 4.43Å; F474-F482 HydrophobicContact CZ-CD1 4.41Å; F474-F482 AromaticContact CZ-CD2 3.75Å; F474-F482 HydrophobicContact CZ-CD2 3.75Å; F474-F482 HydrophobicContact CZ-CE1 4.31Å; F474-F482 AromaticContact CZ-CE2 3.69Å; F474-F482 HydrophobicContact CZ-CE2 3.69Å; F474-F482 HydrophobicContact CZ-CG 4.14Å; F474-F482 AromaticContact CZ-CZ 3.97Å; F474-F482 HydrophobicContact CZ-CZ 3.97Å
475	E	96.6	Very high	94.6	Very high	45 Å²	45	41.7 Å²	41.7	21%	0.21	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.2	178.9	-84.4	171.9	-162.6	0	0	109.8	P426 V427 I460 I461 N462	P426-E475 HydrophobicContact CB-CB 4.06Å; P426-E475 HydrophobicContact CB-CG 4.49Å; P426-E475 HydrophobicContact CG-CB 4.44Å; P426-E475 WeakPolarHBondContact CG-OE2 3.45Å; V427-E475 CarbonylContact O-C 3.58Å; V427-E475 WeakPolarHBondContact O-CA 3.47Å; I460-E475 WeakPolarHBondContact CA-O 3.42Å; I461-E475 HydrophobicContact CD1-CB 4.35Å; I461-E475 HydrophobicContact CG1-CB 3.69Å; I461-E475 PolarHBondContact N-O 2.92Å; I461-E475 PolarHBondContact O-N 3.44Å; N462-E475 HydrophobicContact CB-CB 4.43Å; N462-E475 PolarHBondContact ND2-OE2 3.34Å
476	M	94.8	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	152.1	178.5	-61.8	179.2	67.4	0	0	110.9	P426 V427 R447 G459 F474 S478 Q480 F482	P426-M476 CarbonylContact C-O 3.54Å; P426-M476 VanDerWaalsContact CA-O 3.25Å; P426-M476 WeakPolarHBondContact CA-O 3.36Å; P426-M476 WeakPolarHBondContact CB-O 3.12Å; V427-M476 HydrophobicContact CG2-CB 4.05Å; V427-M476 WeakPolarHBondContact CG2-O 3.21Å; V427-M476 PolarHBondContact N-O 3.06Å; V427-M476 PolarHBondContact O-N 3.11Å; R447-M476 HydrophobicContact CB-CE 3.83Å; G459-M476 VanDerWaalsContact O-CA 3.3Å; G459-M476 WeakPolarHBondContact O-CA 3.34Å; F474-M476 HydrophobicContact CD2-CG 3.89Å; F474-M476 HydrophobicContact CD2-SD 4.47Å; F474-M476 HydrophobicContact CE2-CG 3.78Å; F474-M476 HydrophobicContact CE2-SD 3.76Å; M476-S478 PolarHBondContact O-N 3.46Å; M476-Q480 HydrophobicContact CE-CB 3.8Å; M476-F482 HydrophobicContact CE-CB 4.21Å; M476-F482 HydrophobicContact SD-CB 4.21Å; M476-F482 HydrophobicContact SD-CD1 3.76Å; M476-F482 HydrophobicContact SD-CG 4.2Å
477	E	91.6	Very high	94.5	Very high	123 Å²	123	38 Å²	38	58%	0.575	20%	0.199	S	C	*	.	S	Bend	trans	-65.1	-27.1	177.5	-68.8	-178.8	178.6	0	0	113.5	G459	G459-E477 PolarHBondContact O-N 3.45Å; G459-E477 VanDerWaalsContact O-N 3.11Å
478	S	91.7	Very high	94.6	Very high	18 Å²	18	31.4 Å²	31.4	13%	0.126	17%	0.169	C	C	.	.	S	Bend	trans	-156.5	171.2	-178.8	64.4	0	0	0	0	111.7	V427 M476 Q480	V427-S478 WeakPolarHBondContact CG2-O 3.34Å; M476-S478 PolarHBondContact O-N 3.46Å; S478-Q480 PolarHBondContact O-N 2.79Å; S478-Q480 VanDerWaalsContact OG-CD 3.28Å; S478-Q480 WeakPolarHBondContact OG-CG 3.21Å
479	F	94.4	Very high	94.9	Very high	26 Å²	26	27.8 Å²	27.8	11%	0.114	14%	0.138	C	C	.	.	S	Bend	trans	-72.9	109	174	-71.6	-96.4	0	0	0	109.6	L239 L243 V250 Y372 L374 Y401 V427	L239-F479 HydrophobicContact CD1-CZ 4.25Å; L243-F479 HydrophobicContact CD1-CE2 3.67Å; L243-F479 HydrophobicContact CD1-CZ 4.06Å; V250-F479 HydrophobicContact CG1-CE1 4.47Å; V250-F479 HydrophobicContact CG2-CE1 4.3Å; Y372-F479 AromaticContact CD1-CD1 3.77Å; Y372-F479 HydrophobicContact CD1-CD1 3.77Å; Y372-F479 HydrophobicContact CD1-CE1 4.39Å; Y372-F479 HydrophobicContact CD1-CG 4.43Å; Y372-F479 AromaticContact CD2-CD1 3.93Å; Y372-F479 HydrophobicContact CD2-CD1 3.93Å; Y372-F479 HydrophobicContact CD2-CE1 4.23Å; Y372-F479 AromaticContact CE1-CD1 3.49Å; Y372-F479 HydrophobicContact CE1-CD1 3.49Å; Y372-F479 VanDerWaalsContact CE1-CD1 3.49Å; Y372-F479 AromaticContact CE1-CE1 3.7Å; Y372-F479 HydrophobicContact CE1-CE1 3.7Å; Y372-F479 HydrophobicContact CE1-CG 4.24Å; Y372-F479 AromaticContact CE2-CD1 3.69Å; Y372-F479 HydrophobicContact CE2-CD1 3.69Å; Y372-F479 AromaticContact CE2-CE1 3.53Å; Y372-F479 HydrophobicContact CE2-CE1 3.53Å; Y372-F479 AromaticContact CG-CD1 3.98Å; Y372-F479 HydrophobicContact CG-CD1 3.98Å; Y372-F479 AromaticContact CZ-CD1 3.45Å; Y372-F479 VanDerWaalsContact CZ-CD1 3.45Å; Y372-F479 AromaticContact CZ-CE1 3.2Å; Y372-F479 CarbonylContact O-C 3.59Å; Y372-F479 VanDerWaalsContact O-C 3.31Å; Y372-F479 WeakPolarHBondContact O-CB 3.38Å; Y372-F479 WeakPolarHBondContact OH-CE1 3.28Å; L374-F479 HydrophobicContact CB-CB 4.12Å; L374-F479 HydrophobicContact CB-CD1 3.77Å; L374-F479 HydrophobicContact CB-CD2 3.59Å; L374-F479 HydrophobicContact CB-CE1 3.99Å; L374-F479 HydrophobicContact CB-CE2 3.83Å; L374-F479 HydrophobicContact CB-CG 3.56Å; L374-F479 HydrophobicContact CB-CZ 4.05Å; L374-F479 HydrophobicContact CD1-CE1 4.08Å; L374-F479 HydrophobicContact CD1-CE2 4.02Å; L374-F479 HydrophobicContact CD1-CZ 3.73Å; L374-F479 HydrophobicContact CD2-CD2 3.96Å; L374-F479 HydrophobicContact CD2-CE2 3.68Å; L374-F479 HydrophobicContact CD2-CZ 4.27Å; L374-F479 HydrophobicContact CG-CD2 4.26Å; L374-F479 HydrophobicContact CG-CE2 4.05Å; L374-F479 HydrophobicContact CG-CZ 4.22Å; Y401-F479 AromaticContact CD1-CD2 3.85Å; Y401-F479 HydrophobicContact CD1-CD2 3.85Å; Y401-F479 HydrophobicContact CD1-CE2 4.03Å; Y401-F479 HydrophobicContact CE1-CE2 4.49Å; Y401-F479 HydrophobicContact CG-CD2 4.23Å; Y401-F479 HydrophobicContact CG-CE2 4.3Å; V427-F479 HydrophobicContact CB-CE2 4.27Å; V427-F479 HydrophobicContact CB-CZ 4.34Å; V427-F479 HydrophobicContact CG1-CD2 3.9Å; V427-F479 HydrophobicContact CG1-CE2 3.37Å; V427-F479 HydrophobicContact CG1-CZ 3.78Å
480	Q	94.8	Very high	95.1	Very high	54 Å²	54	23.5 Å²	23.5	25%	0.252	12%	0.122	S	C	.	.			trans	-143.4	160.9	-176.7	-66.9	177.3	-42.3	0	0	110.8	Y372 R447 M476 S478	Y372-Q480 WeakPolarHBondContact CB-O 3.34Å; Y372-Q480 PolarHBondContact O-N 2.77Å; R447-Q480 VanDerWaalsContact CD-OE1 3.24Å; M476-Q480 HydrophobicContact CE-CB 3.8Å; S478-Q480 PolarHBondContact O-N 2.79Å; S478-Q480 VanDerWaalsContact OG-CD 3.28Å; S478-Q480 WeakPolarHBondContact OG-CG 3.21Å
481	I	97.1	Very high	95.1	Very high	30 Å²	30	23 Å²	23	15%	0.154	12%	0.116	C	C	.	.			trans	-67.3	136.7	171	-52.8	164.2	0	0	0	108.4	L260 V369 F370 Y371 R447 W448 W455	L260-I481 HydrophobicContact CD1-CD1 4.21Å; L260-I481 HydrophobicContact CD1-CG2 3.74Å; V369-I481 HydrophobicContact CG1-CG2 3.34Å; F370-I481 CarbonylContact O-C 3.59Å; F370-I481 VanDerWaalsContact O-CA 3.27Å; F370-I481 WeakPolarHBondContact O-CA 3.13Å; F370-I481 WeakPolarHBondContact O-CG2 3.17Å; Y371-I481 HydrophobicContact CD1-CD1 3.65Å; Y371-I481 HydrophobicContact CD1-CG1 3.54Å; Y371-I481 HydrophobicContact CE1-CD1 3.31Å; Y371-I481 HydrophobicContact CE1-CG1 3.77Å; Y371-I481 HydrophobicContact CG-CG1 4.15Å; R447-I481 CarbonylContact C-O 3.57Å; R447-I481 WeakPolarHBondContact CA-O 3.31Å; W448-I481 HydrophobicContact CB-CB 3.85Å; W448-I481 HydrophobicContact CB-CG2 4.17Å; W448-I481 PolarHBondContact N-O 3.17Å; W455-I481 HydrophobicContact CH2-CG2 4.3Å
482	F	97.9	Very high	95	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	165.5	174.7	69	-95	0	0	0	111.3	F370 V429 I431 A446 F474 M476	F370-F482 HydrophobicContact CB-CD1 4.15Å; F370-F482 HydrophobicContact CB-CD2 3.96Å; F370-F482 HydrophobicContact CB-CE1 3.68Å; F370-F482 HydrophobicContact CB-CE2 3.41Å; F370-F482 VanDerWaalsContact CB-CE2 3.41Å; F370-F482 HydrophobicContact CB-CG 4.28Å; F370-F482 HydrophobicContact CB-CZ 3.26Å; F370-F482 HydrophobicContact CD1-CE2 4.26Å; F370-F482 HydrophobicContact CD1-CZ 4.17Å; F370-F482 AromaticContact CD2-CD2 3.98Å; F370-F482 HydrophobicContact CD2-CD2 3.98Å; F370-F482 AromaticContact CD2-CE2 3.42Å; F370-F482 HydrophobicContact CD2-CE2 3.42Å; F370-F482 VanDerWaalsContact CD2-CE2 3.42Å; F370-F482 HydrophobicContact CD2-CZ 4.1Å; F370-F482 HydrophobicContact CE2-CE2 4.25Å; F370-F482 HydrophobicContact CG-CD2 4.24Å; F370-F482 HydrophobicContact CG-CE1 4.49Å; F370-F482 AromaticContact CG-CE2 3.43Å; F370-F482 HydrophobicContact CG-CE2 3.43Å; F370-F482 VanDerWaalsContact CG-CE2 3.43Å; F370-F482 AromaticContact CG-CZ 3.6Å; F370-F482 HydrophobicContact CG-CZ 3.6Å; F370-F482 PolarHBondContact N-O 3.01Å; F370-F482 PolarHBondContact O-N 2.85Å; V429-F482 HydrophobicContact CG1-CE1 4.08Å; V429-F482 HydrophobicContact CG1-CZ 3.76Å; V429-F482 HydrophobicContact CG2-CE1 4.29Å; I431-F482 HydrophobicContact CD1-CD2 4.48Å; I431-F482 HydrophobicContact CD1-CE2 3.29Å; I431-F482 HydrophobicContact CD1-CZ 3.57Å; A446-F482 CarbonylContact O-C 3.55Å; A446-F482 WeakPolarHBondContact O-CA 3.45Å; A446-F482 VanDerWaalsContact O-CB 3.31Å; A446-F482 WeakPolarHBondContact O-CB 3.39Å; F474-F482 HydrophobicContact CE1-CE2 4.44Å; F474-F482 HydrophobicContact CE2-CD2 4.46Å; F474-F482 HydrophobicContact CE2-CG 4.43Å; F474-F482 HydrophobicContact CZ-CD1 4.41Å; F474-F482 AromaticContact CZ-CD2 3.75Å; F474-F482 HydrophobicContact CZ-CD2 3.75Å; F474-F482 HydrophobicContact CZ-CE1 4.31Å; F474-F482 AromaticContact CZ-CE2 3.69Å; F474-F482 HydrophobicContact CZ-CE2 3.69Å; F474-F482 HydrophobicContact CZ-CG 4.14Å; F474-F482 AromaticContact CZ-CZ 3.97Å; F474-F482 HydrophobicContact CZ-CZ 3.97Å; M476-F482 HydrophobicContact CE-CB 4.21Å; M476-F482 HydrophobicContact SD-CB 4.21Å; M476-F482 HydrophobicContact SD-CD1 3.76Å; M476-F482 HydrophobicContact SD-CG 4.2Å
483	A	98	Very high	94.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.7	174.9	0	0	0	0	0	111.1	T365 A446 W455 M485	T365-A483 HydrophobicContact CG2-CB 3.84Å; A446-A483 PolarHBondContact N-O 3.34Å; A446-A483 PolarHBondContact O-N 3.23Å; W455-A483 HydrophobicContact CE3-CB 4.37Å; W455-A483 HydrophobicContact CH2-CB 3.51Å; W455-A483 HydrophobicContact CZ2-CB 4.01Å; W455-A483 HydrophobicContact CZ3-CB 3.71Å; A483-M485 HydrophobicContact CB-CE 4.34Å
484	L	97.8	Very high	94.7	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	134.3	168.6	-57.1	-176.8	0	0	0	108.4	L366 F370 L433 F439 P443 L444 V445 I472	L366-L484 PolarHBondContact N-O 3.36Å; F370-L484 HydrophobicContact CE2-CG 4.39Å; L433-L484 HydrophobicContact CD2-CD1 3.38Å; F439-L484 HydrophobicContact CE1-CB 4.3Å; F439-L484 HydrophobicContact CE2-CB 4.49Å; F439-L484 HydrophobicContact CZ-CB 3.68Å; P443-L484 HydrophobicContact CB-CB 4.25Å; P443-L484 HydrophobicContact CB-CD2 4.38Å; L444-L484 CarbonylContact O-C 3.4Å; V445-L484 HydrophobicContact CG1-CD2 4.48Å; V445-L484 HydrophobicContact CG2-CD2 3.89Å; I472-L484 HydrophobicContact CD1-CD2 4.29Å; I472-L484 HydrophobicContact CG2-CD1 4.04Å; I472-L484 HydrophobicContact CG2-CD2 4.15Å
485	M	96.8	Very high	94.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.4	-173.9	-59.2	-171.2	167.1	0	0	110.6	V358 L360 T364 L444 A446 W455 A483	V358-M485 HydrophobicContact CB-SD 4.44Å; V358-M485 HydrophobicContact CG1-SD 3.69Å; V358-M485 HydrophobicContact CG2-SD 4.35Å; L360-M485 HydrophobicContact CD2-CE 4.23Å; T364-M485 WeakPolarHBondContact O-CA 3.1Å; L444-M485 HydrophobicContact CB-CB 4.24Å; L444-M485 PolarHBondContact N-O 2.92Å; L444-M485 PolarHBondContact O-N 3.04Å; A446-M485 HydrophobicContact CB-CE 3.88Å; A446-M485 HydrophobicContact CB-CG 4.4Å; A446-M485 HydrophobicContact CB-SD 3.73Å; W455-M485 HydrophobicContact CB-CE 3.76Å; W455-M485 HydrophobicContact CD2-CE 3.4Å; W455-M485 HydrophobicContact CE3-CE 3.95Å; W455-M485 HydrophobicContact CG-CE 3.32Å; W455-M485 HydrophobicContact CZ2-CE 4.49Å; A483-M485 HydrophobicContact CB-CE 4.34Å
486	R	94.2	Very high	94.5	Very high	21 Å²	21	28.6 Å²	28.6	8%	0.079	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	155	173.7	65.7	161.1	-170.1	-103.1	7.7	110.6	Y363 T364 L366 F439 T488 A555 G558 D560	Y363-R486 VanDerWaalsContact CA-O 3.28Å; Y363-R486 WeakPolarHBondContact CA-O 3.47Å; T364-R486 PolarHBondContact N-O 3.11Å; T364-R486 PolarHBondContact O-N 3.01Å; L366-R486 HydrophobicContact CB-CG 4.31Å; L366-R486 HydrophobicContact CD2-CG 4.25Å; F439-R486 HydrophobicContact CD1-CB 4.09Å; F439-R486 HydrophobicContact CE1-CB 4.08Å; R486-T488 PolarHBondContact O-N 3.27Å; R486-A555 VanDerWaalsContact CZ-O 3.27Å; R486-A555 PolarHBondContact NH1-O 3.5Å; R486-A555 PolarHBondContact NH2-O 3.42Å; R486-G558 VanDerWaalsContact NH1-N 3.18Å; R486-D560 IonicContact CZ-OD1 2.93Å; R486-D560 IonicContact CZ-OD2 2.78Å; R486-D560 IonicContact NE-OD1 3.33Å; R486-D560 IonicContact NE-OD2 2.76Å; R486-D560 PolarHBondContact NE-OD2 3.12Å; R486-D560 IonicContact NH2-OD1 3.94Å; R486-D560 PolarHBondContact NH2-OD1 2.84Å; R486-D560 IonicContact NH2-OD2 3.63Å; R486-D560 PolarHBondContact NH2-OD2 3.47Å
487	N	93.9	Very high	94.7	Very high	40 Å²	40	28.8 Å²	28.8	21%	0.214	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	117.7	167	178.6	-6	0	0	0	109.2	Q362 Y363 F489 A490	Q362-N487 PolarHBondContact O-OD1 3.45Å; Y363-N487 HydrophobicContact CD1-CB 4.44Å; Y363-N487 HydrophobicContact CE1-CB 4.13Å; N487-F489 PolarHBondContact O-N 3.06Å; N487-F489 PolarHBondContact OD1-N 3.47Å; N487-A490 HydrophobicContact CB-CB 4.22Å; N487-A490 WeakPolarHBondContact O-CB 3.45Å; N487-A490 PolarHBondContact O-N 3.31Å
488	T	92.8	Very high	95	Very high	12 Å²	12	25.2 Å²	25.2	7%	0.074	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.2	-177	-48.3	0	0	0	0	112.5	Q362 T364 R486 D560	Q362-T488 PolarHBondContact O-N 2.83Å; Q362-T488 PolarHBondContact O-OG1 3.21Å; Q362-T488 VanDerWaalsContact O-OG1 3.13Å; T364-T488 PolarHBondContact OG1-OG1 3.33Å; R486-T488 PolarHBondContact O-N 3.27Å; T488-D560 WeakPolarHBondContact O-CB 3.41Å
489	F	93.6	Very high	95.3	Very high	7 Å²	7	24.4 Å²	24.4	3%	0.031	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	8.3	-173.1	-53.9	-65.9	0	0	0	113.7	V361 N487 N491 F492 N566 T567 Y570 V571	V361-F489 WeakPolarHBondContact O-CE2 3.36Å; N487-F489 PolarHBondContact O-N 3.06Å; N487-F489 PolarHBondContact OD1-N 3.47Å; F489-N491 PolarHBondContact O-N 3.42Å; F489-N491 VanDerWaalsContact O-N 3.11Å; F489-F492 HydrophobicContact CB-CD2 4.49Å; F489-F492 PolarHBondContact O-N 3.4Å; F489-N566 HydrophobicContact CZ-CB 4.18Å; F489-T567 HydrophobicContact CD1-CG2 3.9Å; F489-T567 VanDerWaalsContact CE1-CA 3.48Å; F489-T567 HydrophobicContact CE1-CG2 4.15Å; F489-Y570 HydrophobicContact CD2-CD1 4.35Å; F489-Y570 AromaticContact CD2-CD2 3.57Å; F489-Y570 HydrophobicContact CD2-CD2 3.57Å; F489-Y570 HydrophobicContact CD2-CE2 4.36Å; F489-Y570 AromaticContact CD2-CG 3.56Å; F489-Y570 HydrophobicContact CD2-CG 3.56Å; F489-Y570 HydrophobicContact CE2-CD1 4.49Å; F489-Y570 AromaticContact CE2-CD2 3.14Å; F489-Y570 HydrophobicContact CE2-CD2 3.14Å; F489-Y570 AromaticContact CE2-CE2 3.61Å; F489-Y570 HydrophobicContact CE2-CE2 3.61Å; F489-Y570 AromaticContact CE2-CG 3.66Å; F489-Y570 HydrophobicContact CE2-CG 3.66Å; F489-Y570 HydrophobicContact CG-CD2 4.48Å; F489-Y570 HydrophobicContact CG-CG 4.42Å; F489-Y570 AromaticContact CZ-CD2 3.77Å; F489-Y570 HydrophobicContact CZ-CD2 3.77Å; F489-Y570 HydrophobicContact CZ-CE2 4.23Å; F489-V571 HydrophobicContact CB-CG2 3.87Å; F489-V571 HydrophobicContact CD1-CG2 4.5Å; F489-V571 HydrophobicContact CG-CG2 4.38Å
490	A	91.3	Very high	95.4	Very high	23 Å²	23	25.1 Å²	25.1	19%	0.19	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.9	-170.1	0	0	0	0	0	114.9	N487 L515	N487-A490 HydrophobicContact CB-CB 4.22Å; N487-A490 WeakPolarHBondContact O-CB 3.45Å; N487-A490 PolarHBondContact O-N 3.31Å; A490-L515 HydrophobicContact CB-CD1 3.71Å
491	N	92.1	Very high	95.5	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.021	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.9	178.9	-74.4	-45	0	0	0	114.5	F489 G513 A514 L515 D560	F489-N491 PolarHBondContact O-N 3.42Å; F489-N491 VanDerWaalsContact O-N 3.11Å; N491-G513 CarbonylContact O-C 3.52Å; N491-G513 WeakPolarHBondContact O-CA 3.26Å; N491-A514 PolarHBondContact O-N 2.57Å; N491-L515 WeakPolarHBondContact OD1-CB 3.38Å; N491-D560 WeakPolarHBondContact CB-O 3.05Å; N491-D560 PolarHBondContact ND2-O 2.91Å
492	F	93.3	Very high	95.4	Very high	15 Å²	15	24 Å²	24	7%	0.066	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-101.9	155.6	178.7	-63.7	-86.5	0	0	0	111.6	F489 F494 V563 T567 V571 F704	F489-F492 HydrophobicContact CB-CD2 4.49Å; F489-F492 PolarHBondContact O-N 3.4Å; F492-F494 HydrophobicContact CD1-CD1 4.19Å; F492-F494 AromaticContact CD1-CE1 3.66Å; F492-F494 HydrophobicContact CD1-CE1 3.66Å; F492-F494 HydrophobicContact CD1-CE2 4.49Å; F492-F494 AromaticContact CD1-CZ 3.84Å; F492-F494 HydrophobicContact CD1-CZ 3.84Å; F492-F494 HydrophobicContact CE1-CD1 4.46Å; F492-F494 AromaticContact CE1-CE1 3.53Å; F492-F494 HydrophobicContact CE1-CE1 3.53Å; F492-F494 HydrophobicContact CE1-CE2 4.11Å; F492-F494 AromaticContact CE1-CZ 3.32Å; F492-F494 HydrophobicContact CE1-CZ 3.32Å; F492-F494 HydrophobicContact CG-CE1 4.47Å; F492-F494 HydrophobicContact CZ-CE1 4.24Å; F492-F494 HydrophobicContact CZ-CZ 4.11Å; F492-V563 HydrophobicContact CE1-CG2 3.62Å; F492-V563 HydrophobicContact CZ-CG2 3.83Å; F492-T567 HydrophobicContact CD1-CG2 4.42Å; F492-T567 HydrophobicContact CD2-CG2 4.23Å; F492-T567 HydrophobicContact CE1-CG2 4.34Å; F492-T567 HydrophobicContact CE2-CG2 4.17Å; F492-T567 HydrophobicContact CG-CG2 4.35Å; F492-T567 HydrophobicContact CZ-CG2 4.22Å; F492-V571 HydrophobicContact CB-CB 4.17Å; F492-V571 HydrophobicContact CB-CG1 3.45Å; F492-V571 VanDerWaalsContact CB-CG1 3.45Å; F492-V571 HydrophobicContact CB-CG2 3.59Å; F492-V571 HydrophobicContact CG-CG1 4.44Å; F492-V571 HydrophobicContact CG-CG2 4.24Å; F492-F704 HydrophobicContact CD1-CB 4.01Å; F492-F704 HydrophobicContact CD1-CD1 4.01Å; F492-F704 HydrophobicContact CD1-CG 4.24Å; F492-F704 HydrophobicContact CE1-CB 4.24Å; F492-F704 HydrophobicContact CE1-CD1 4.33Å; F492-F704 HydrophobicContact CE1-CG 4.31Å
493	P	93.6	Very high	95.1	Very high	52 Å²	52	25.5 Å²	25.5	34%	0.338	13%	0.13	S	C	.	.	S	Bend	cis	-67.3	159.9	-12.7	31.3	-35.6	0	0	0	111.3	V571 F704	P493-V571 HydrophobicContact CB-CG1 4.27Å; P493-F704 CarbonylContact C-O 3.47Å; P493-F704 WeakPolarHBondContact CA-O 3.07Å; P493-F704 WeakPolarHBondContact CB-O 3.43Å
494	F	95.4	Very high	94.8	Very high	3 Å²	3	28 Å²	28	1%	0.013	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-67.4	143.2	172.4	-54.5	-37	0	0	0	110.2	F492 G496 V511 K512 I561 T699 F704	F492-F494 HydrophobicContact CD1-CD1 4.19Å; F492-F494 AromaticContact CD1-CE1 3.66Å; F492-F494 HydrophobicContact CD1-CE1 3.66Å; F492-F494 HydrophobicContact CD1-CE2 4.49Å; F492-F494 AromaticContact CD1-CZ 3.84Å; F492-F494 HydrophobicContact CD1-CZ 3.84Å; F492-F494 HydrophobicContact CE1-CD1 4.46Å; F492-F494 AromaticContact CE1-CE1 3.53Å; F492-F494 HydrophobicContact CE1-CE1 3.53Å; F492-F494 HydrophobicContact CE1-CE2 4.11Å; F492-F494 AromaticContact CE1-CZ 3.32Å; F492-F494 HydrophobicContact CE1-CZ 3.32Å; F492-F494 HydrophobicContact CG-CE1 4.47Å; F492-F494 HydrophobicContact CZ-CE1 4.24Å; F492-F494 HydrophobicContact CZ-CZ 4.11Å; F494-G496 VanDerWaalsContact C-N 3.34Å; F494-V511 HydrophobicContact CD1-CG1 3.62Å; F494-V511 HydrophobicContact CD2-CG1 4.16Å; F494-V511 HydrophobicContact CE1-CG1 3.69Å; F494-V511 HydrophobicContact CE2-CG1 4.21Å; F494-V511 HydrophobicContact CG-CG1 3.87Å; F494-V511 HydrophobicContact CZ-CG1 3.99Å; F494-K512 CarbonylContact C-O 3.55Å; F494-K512 WeakPolarHBondContact CA-O 3.48Å; F494-I561 HydrophobicContact CE1-CB 4.29Å; F494-I561 HydrophobicContact CE1-CG2 4.47Å; F494-I561 HydrophobicContact CZ-CB 4.47Å; F494-I561 WeakPolarHBondContact CZ-O 3.36Å; F494-T699 VanDerWaalsContact CE2-O 3.28Å; F494-T699 WeakPolarHBondContact CE2-O 3.48Å; F494-F704 HydrophobicContact CD2-CB 4.24Å; F494-F704 HydrophobicContact CE2-CB 4.2Å; F494-F704 PolarHBondContact N-O 2.73Å
495	R	94.9	Very high	94.6	Very high	170 Å²	170	29.7 Å²	29.7	64%	0.642	15%	0.151	S	C	*	.	S	Bend	trans	-86.7	-10.1	172.8	-63.4	179.7	175.6	167.5	3.4	112.6	K512 A514	R495-K512 HydrophobicContact CB-CB 4.45Å; R495-K512 PolarHBondContact N-O 2.84Å; R495-A514 PolarHBondContact NH1-O 2.73Å; R495-A514 PolarHBondContact NH2-O 2.59Å
496	G	95.5	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.8	166.1	177.7	0	0	0	0	0	112	F494 K512 W599	F494-G496 VanDerWaalsContact C-N 3.34Å; G496-K512 WeakPolarHBondContact O-CA 3.48Å; G496-K512 WeakPolarHBondContact O-CB 3.37Å; G496-K512 PolarHBondContact O-N 3.13Å; G496-W599 VanDerWaalsContact CA-CD1 3.5Å; G496-W599 VanDerWaalsContact CA-CG 3.5Å
497	W	97.6	Very high	94.8	Very high	3 Å²	3	29.7 Å²	29.7	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	154.9	178.6	56.9	-90.6	0	0	0	109.8	Y509 T510 M588 F597 S598 W599 P701 L702 S705	W497-Y509 HydrophobicContact CB-CE2 4.26Å; W497-Y509 HydrophobicContact CE3-CE2 4.36Å; W497-T510 CarbonylContact C-O 3.52Å; W497-T510 WeakPolarHBondContact CA-O 3.36Å; W497-M588 HydrophobicContact CH2-CE 3.55Å; W497-M588 HydrophobicContact CZ3-CE 3.66Å; W497-F597 HydrophobicContact CH2-CB 4.21Å; W497-F597 HydrophobicContact CZ3-CB 3.86Å; W497-S598 WeakPolarHBondContact O-CA 3.4Å; W497-S598 PolarHBondContact O-OG 3.08Å; W497-W599 VanDerWaalsContact CD1-CB 3.46Å; W497-W599 HydrophobicContact CD2-CB 4.21Å; W497-W599 HydrophobicContact CG-CB 4.04Å; W497-W599 HydrophobicContact CZ2-CB 4.42Å; W497-W599 PolarHBondContact O-N 2.85Å; W497-W599 VanDerWaalsContact O-N 3.12Å; W497-P701 HydrophobicContact CB-CB 4.35Å; W497-P701 VanDerWaalsContact CD1-CB 3.43Å; W497-P701 HydrophobicContact CD2-CB 3.81Å; W497-P701 HydrophobicContact CD2-CG 4.3Å; W497-P701 HydrophobicContact CG-CB 3.61Å; W497-L702 HydrophobicContact CH2-CD2 4.46Å; W497-L702 HydrophobicContact CZ2-CD2 3.75Å; W497-L702 HydrophobicContact CZ2-CG 4.4Å; W497-S705 PolarHBondContact NE1-OG 3.45Å
498	E	97.9	Very high	94.9	Very high	48 Å²	48	28.3 Å²	28.3	22%	0.224	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	128.1	179.2	-173.8	-174	127.2	0	0	109.3	R500 Y509 T510 F597 W629	E498-R500 VanDerWaalsContact OE1-CD 3.26Å; E498-R500 WeakPolarHBondContact OE1-CD 3.41Å; E498-R500 IonicContact OE1-NE 3.07Å; E498-Y509 CarbonylContact O-C 3.6Å; E498-Y509 WeakPolarHBondContact O-CA 3.25Å; E498-T510 PolarHBondContact N-O 3.11Å; E498-T510 PolarHBondContact O-N 2.97Å; E498-F597 CarbonylContact C-O 3.57Å; E498-F597 WeakPolarHBondContact CA-O 3.49Å; E498-W629 HydrophobicContact CG-CH2 4.38Å; E498-W629 HydrophobicContact CG-CZ2 4.38Å
499	L	98.4	Very high	95.2	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.2	170.2	172.9	65.6	0	0	0	107.6	A507 Y509 A592 A596 F597 V692 L696	L499-A507 HydrophobicContact CD1-CB 3.99Å; L499-Y509 HydrophobicContact CB-CD2 4.13Å; L499-Y509 HydrophobicContact CD1-CD2 4.5Å; L499-A592 HydrophobicContact CD2-CB 4.09Å; L499-A596 CarbonylContact O-C 3.58Å; L499-A596 VanDerWaalsContact O-CA 3.24Å; L499-A596 WeakPolarHBondContact O-CA 3.23Å; L499-F597 HydrophobicContact CB-CB 4.47Å; L499-F597 HydrophobicContact CD2-CD2 4.11Å; L499-F597 PolarHBondContact N-O 3.03Å; L499-F597 PolarHBondContact O-N 3.42Å; L499-V692 HydrophobicContact CD1-CG1 4.44Å; L499-V692 HydrophobicContact CD2-CG1 3.61Å; L499-L696 HydrophobicContact CD2-CD1 4.31Å
500	R	97	Very high	95.4	Very high	41 Å²	41	28.1 Å²	28.1	16%	0.155	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	145.8	176.7	65.5	175.7	176.3	85.3	2.1	112.6	E498 A507 I508 A596 A621 G622 V624	E498-R500 VanDerWaalsContact OE1-CD 3.26Å; E498-R500 WeakPolarHBondContact OE1-CD 3.41Å; E498-R500 IonicContact OE1-NE 3.07Å; R500-A507 CarbonylContact O-C 3.56Å; R500-A507 VanDerWaalsContact O-CA 3.26Å; R500-A507 WeakPolarHBondContact O-CA 3.31Å; R500-A507 WeakPolarHBondContact O-CB 3.4Å; R500-I508 HydrophobicContact CG-CG2 3.42Å; R500-I508 VanDerWaalsContact CG-CG2 3.42Å; R500-I508 PolarHBondContact N-O 2.89Å; R500-I508 PolarHBondContact O-N 2.99Å; R500-A596 HydrophobicContact CB-CB 3.92Å; R500-A621 PolarHBondContact NH1-O 3.06Å; R500-G622 PolarHBondContact NH1-O 3.31Å; R500-V624 HydrophobicContact CB-CG2 4.24Å
501	P	96.9	Very high	95.6	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.019	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	148	177.5	26.3	-33.4	0	0	0	111.9	A592 S593 C595 H618	P501-A592 WeakPolarHBondContact CB-O 3.44Å; P501-S593 VanDerWaalsContact CB-O 3.28Å; P501-S593 WeakPolarHBondContact CB-O 3.28Å; P501-C595 WeakPolarHBondContact CD-O 3.47Å; P501-H618 HydrophobicContact CG-CB 4.24Å; P501-H618 WeakPolarHBondContact CG-O 3.4Å
502	L	95.2	Very high	95.8	Very high	57 Å²	57	30.8 Å²	30.8	30%	0.298	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-20.4	166.9	-63.1	179.3	0	0	0	111.5	S506 I508 T521 A621	L502-S506 PolarHBondContact N-O 3Å; L502-I508 HydrophobicContact CD1-CB 4.16Å; L502-I508 HydrophobicContact CD1-CG2 4.5Å; L502-I508 HydrophobicContact CD2-CG2 4.16Å; L502-I508 HydrophobicContact CG-CB 4.42Å; L502-I508 HydrophobicContact CG-CG2 4.3Å; L502-T521 HydrophobicContact CD1-CG2 4.05Å; L502-A621 HydrophobicContact CD2-CB 4.26Å; L502-A621 WeakPolarHBondContact CD2-O 3.48Å
503	G	90.9	Very high	95.8	Very high	32 Å²	32	30.3 Å²	30.3	33%	0.33	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-171.5	177.3	0	0	0	0	0	111.1	N505 S506	G503-N505 VanDerWaalsContact C-N 3.32Å; G503-N505 PolarHBondContact O-N 3.42Å; G503-N505 VanDerWaalsContact O-N 3.16Å; G503-S506 PolarHBondContact N-O 3.48Å; G503-S506 VanDerWaalsContact N-O 3.11Å; G503-S506 PolarHBondContact O-N 3.21Å
504	Q	90.8	Very high	95.7	Very high	52 Å²	52	28.8 Å²	28.8	24%	0.243	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-42.5	-172.5	178.1	64.9	79.9	0	0	115.2	S593 L680	Q504-S593 WeakPolarHBondContact O-CB 3.33Å; Q504-L680 HydrophobicContact CB-CD1 4.27Å; Q504-L680 PolarHBondContact NE2-O 3.25Å; Q504-L680 PolarHBondContact OE1-O 2.92Å
505	N	95.3	Very high	95.6	Very high	38 Å²	38	32.4 Å²	32.4	20%	0.203	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	31.9	-179.4	-61.2	-42.5	0	0	0	110.8	G503 E523 N524 H685 F688	G503-N505 VanDerWaalsContact C-N 3.32Å; G503-N505 PolarHBondContact O-N 3.42Å; G503-N505 VanDerWaalsContact O-N 3.16Å; N505-E523 WeakPolarHBondContact O-CA 3.39Å; N505-N524 VanDerWaalsContact CB-OD1 3.29Å; N505-N524 WeakPolarHBondContact CB-OD1 3.12Å; N505-N524 PolarHBondContact O-N 3.26Å; N505-H685 WeakPolarHBondContact OD1-CB 3.46Å; N505-H685 PolarHBondContact OD1-N 3.42Å; N505-F688 HydrophobicContact CB-CB 4.06Å; N505-F688 HydrophobicContact CB-CG 4.21Å; N505-F688 VanDerWaalsContact O-CD2 3.26Å; N505-F688 WeakPolarHBondContact O-CD2 3.18Å
506	S	96.6	Very high	95.3	Very high	22 Å²	22	25.1 Å²	25.1	15%	0.154	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	137.3	-179.9	-176.7	0	0	0	0	111.3	L502 G503 I522	L502-S506 PolarHBondContact N-O 3Å; G503-S506 PolarHBondContact N-O 3.48Å; G503-S506 VanDerWaalsContact N-O 3.11Å; G503-S506 PolarHBondContact O-N 3.21Å; S506-I522 WeakPolarHBondContact CA-O 3.47Å; S506-I522 WeakPolarHBondContact CB-O 3.45Å; S506-I522 PolarHBondContact OG-O 2.89Å
507	A	97.4	Very high	95.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.7	178.8	0	0	0	0	0	110.1	L499 R500 I522 F688	L499-A507 HydrophobicContact CD1-CB 3.99Å; R500-A507 CarbonylContact O-C 3.56Å; R500-A507 VanDerWaalsContact O-CA 3.26Å; R500-A507 WeakPolarHBondContact O-CA 3.31Å; R500-A507 WeakPolarHBondContact O-CB 3.4Å; A507-I522 PolarHBondContact N-O 2.89Å; A507-I522 VanDerWaalsContact N-O 3.1Å; A507-I522 PolarHBondContact O-N 3.01Å; A507-F688 HydrophobicContact CB-CE2 3.87Å; A507-F688 HydrophobicContact CB-CZ 3.82Å
508	I	97.5	Very high	95	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.056	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.6	168.3	-172	171.1	0	0	0	108.7	R500 L502 I520	R500-I508 HydrophobicContact CG-CG2 3.42Å; R500-I508 VanDerWaalsContact CG-CG2 3.42Å; R500-I508 PolarHBondContact N-O 2.89Å; R500-I508 PolarHBondContact O-N 2.99Å; L502-I508 HydrophobicContact CD1-CB 4.16Å; L502-I508 HydrophobicContact CD1-CG2 4.5Å; L502-I508 HydrophobicContact CD2-CG2 4.16Å; L502-I508 HydrophobicContact CG-CB 4.42Å; L502-I508 HydrophobicContact CG-CG2 4.3Å; I508-I520 WeakPolarHBondContact CA-O 3.4Å
509	Y	98.1	Very high	94.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	113.3	177.4	178.8	-136.3	0	0	0	109.3	W497 E498 L499 V511 S519 I520 L695 L696 T699 P701	W497-Y509 HydrophobicContact CB-CE2 4.26Å; W497-Y509 HydrophobicContact CE3-CE2 4.36Å; E498-Y509 CarbonylContact O-C 3.6Å; E498-Y509 WeakPolarHBondContact O-CA 3.25Å; L499-Y509 HydrophobicContact CB-CD2 4.13Å; L499-Y509 HydrophobicContact CD1-CD2 4.5Å; Y509-V511 HydrophobicContact CD1-CG2 4.18Å; Y509-V511 HydrophobicContact CE1-CG2 3.54Å; Y509-V511 HydrophobicContact CE2-CG2 3.95Å; Y509-S519 CarbonylContact O-C 3.6Å; Y509-S519 WeakPolarHBondContact O-CA 3.45Å; Y509-I520 PolarHBondContact N-O 2.82Å; Y509-I520 PolarHBondContact O-N 2.82Å; Y509-L695 HydrophobicContact CD1-CB 4.38Å; Y509-L696 HydrophobicContact CE2-CD2 4.09Å; Y509-T699 HydrophobicContact CE1-CG2 4.08Å; Y509-T699 PolarHBondContact OH-OG1 2.8Å; Y509-P701 WeakPolarHBondContact OH-CG 3.38Å
510	T	97.4	Very high	94.9	Very high	14 Å²	14	27.9 Å²	27.9	9%	0.086	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127	-178.9	-60	0	0	0	0	109.7	W497 E498 Q517 I518 S519	W497-T510 CarbonylContact C-O 3.52Å; W497-T510 WeakPolarHBondContact CA-O 3.36Å; E498-T510 PolarHBondContact N-O 3.11Å; E498-T510 PolarHBondContact O-N 2.97Å; T510-Q517 HydrophobicContact CG2-CG 3.99Å; T510-I518 CarbonylContact C-O 3.59Å; T510-I518 WeakPolarHBondContact CA-O 3.39Å; T510-S519 PolarHBondContact OG1-OG 3.38Å
511	V	96.8	Very high	94.9	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.7	174.8	-179.5	0	0	0	0	108.2	F494 Y509 Q517 I518	F494-V511 HydrophobicContact CD1-CG1 3.62Å; F494-V511 HydrophobicContact CD2-CG1 4.16Å; F494-V511 HydrophobicContact CE1-CG1 3.69Å; F494-V511 HydrophobicContact CE2-CG1 4.21Å; F494-V511 HydrophobicContact CG-CG1 3.87Å; F494-V511 HydrophobicContact CZ-CG1 3.99Å; Y509-V511 HydrophobicContact CD1-CG2 4.18Å; Y509-V511 HydrophobicContact CE1-CG2 3.54Å; Y509-V511 HydrophobicContact CE2-CG2 3.95Å; V511-Q517 WeakPolarHBondContact O-CA 3.45Å; V511-I518 HydrophobicContact CB-CG1 4.3Å; V511-I518 PolarHBondContact N-O 2.99Å; V511-I518 PolarHBondContact O-N 2.82Å
512	K	95.4	Very high	95	Very high	82 Å²	82	26.3 Å²	26.3	36%	0.357	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	93.5	173.6	-60.1	177.1	-179.5	169.9	0	107.5	F494 R495 G496 Q517	F494-K512 CarbonylContact C-O 3.55Å; F494-K512 WeakPolarHBondContact CA-O 3.48Å; R495-K512 HydrophobicContact CB-CB 4.45Å; R495-K512 PolarHBondContact N-O 2.84Å; G496-K512 WeakPolarHBondContact O-CA 3.48Å; G496-K512 WeakPolarHBondContact O-CB 3.37Å; G496-K512 PolarHBondContact O-N 3.13Å; K512-Q517 HydrophobicContact CG-CB 4.44Å; K512-Q517 HydrophobicContact CG-CG 3.9Å
513	G	93.6	Very high	95.1	Very high	5 Å²	5	27.9 Å²	27.9	5%	0.052	15%	0.153	C	C	.	.			trans	-72	178	173.7	0	0	0	0	0	112.8	N491 L515 I516	N491-G513 CarbonylContact O-C 3.52Å; N491-G513 WeakPolarHBondContact O-CA 3.26Å; G513-L515 VanDerWaalsContact C-N 3.32Å; G513-L515 PolarHBondContact O-N 3.21Å; G513-I516 VanDerWaalsContact CA-O 3.31Å; G513-I516 WeakPolarHBondContact CA-O 3.39Å; G513-I516 PolarHBondContact N-O 2.65Å
514	A	92.3	Very high	95.3	Very high	20 Å²	20	29.2 Å²	29.2	17%	0.165	15%	0.152	C	C	.	.	S	Bend	trans	-64	-35.4	175.8	0	0	0	0	0	112.8	N491 R495	N491-A514 PolarHBondContact O-N 2.57Å; R495-A514 PolarHBondContact NH1-O 2.73Å; R495-A514 PolarHBondContact NH2-O 2.59Å
515	L	91.3	Very high	95.5	Very high	78 Å²	78	28.5 Å²	28.5	41%	0.408	15%	0.153	S	C	.	.	S	Bend	trans	-112.1	-33.8	-176.4	-55.9	175.7	0	0	0	113.5	M440 E441 A490 N491 G513	M440-L515 HydrophobicContact CB-CB 3.98Å; M440-L515 HydrophobicContact CB-CD1 3.63Å; M440-L515 HydrophobicContact CB-CG 4.45Å; M440-L515 HydrophobicContact CG-CB 4.38Å; E441-L515 HydrophobicContact CG-CD1 3.66Å; A490-L515 HydrophobicContact CB-CD1 3.71Å; N491-L515 WeakPolarHBondContact OD1-CB 3.38Å; G513-L515 VanDerWaalsContact C-N 3.32Å; G513-L515 PolarHBondContact O-N 3.21Å
516	I	90.5	Very high	95.5	Very high	18 Å²	18	31 Å²	31	9%	0.092	16%	0.163	C	C	.	.			trans	-131.8	148.4	-178.5	-167.3	163.5	0	0	0	112.7	M440 G513 I518 V531	M440-I516 HydrophobicContact CE-CB 3.96Å; M440-I516 HydrophobicContact CE-CD1 3.32Å; M440-I516 HydrophobicContact CE-CG1 4.21Å; M440-I516 HydrophobicContact CE-CG2 4Å; M440-I516 HydrophobicContact SD-CB 4.35Å; M440-I516 HydrophobicContact SD-CD1 4.21Å; G513-I516 VanDerWaalsContact CA-O 3.31Å; G513-I516 WeakPolarHBondContact CA-O 3.39Å; G513-I516 PolarHBondContact N-O 2.65Å; I516-I518 HydrophobicContact CD1-CG2 4.14Å; I516-I518 HydrophobicContact CG1-CG2 4.06Å; I516-I518 HydrophobicContact CG2-CG2 4.19Å; I516-V531 HydrophobicContact CD1-CG1 3.96Å
517	Q	93.4	Very high	95.6	Very high	89 Å²	89	30 Å²	30	42%	0.416	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.3	164	177.5	179.2	-39.6	0	0	110	T510 V511 K512	T510-Q517 HydrophobicContact CG2-CG 3.99Å; V511-Q517 WeakPolarHBondContact O-CA 3.45Å; K512-Q517 HydrophobicContact CG-CB 4.44Å; K512-Q517 HydrophobicContact CG-CG 3.9Å
518	I	93.4	Very high	95.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	154.4	177.4	59.5	164.5	0	0	0	111	T510 V511 I516 L529 V531 M554 I559 I561	T510-I518 CarbonylContact C-O 3.59Å; T510-I518 WeakPolarHBondContact CA-O 3.39Å; V511-I518 HydrophobicContact CB-CG1 4.3Å; V511-I518 PolarHBondContact N-O 2.99Å; V511-I518 PolarHBondContact O-N 2.82Å; I516-I518 HydrophobicContact CD1-CG2 4.14Å; I516-I518 HydrophobicContact CG1-CG2 4.06Å; I516-I518 HydrophobicContact CG2-CG2 4.19Å; I518-L529 HydrophobicContact CB-CD1 4.15Å; I518-L529 HydrophobicContact CD1-CD1 4.41Å; I518-L529 HydrophobicContact CG2-CD1 4.48Å; I518-V531 HydrophobicContact CG2-CG2 4.36Å; I518-M554 HydrophobicContact CD1-CE 3.39Å; I518-I559 HydrophobicContact CD1-CG2 4.05Å; I518-I559 HydrophobicContact CG2-CG2 4.33Å; I518-I561 HydrophobicContact CD1-CB 4.29Å; I518-I561 HydrophobicContact CD1-CD1 3.5Å; I518-I561 HydrophobicContact CD1-CG1 3.67Å; I518-I561 HydrophobicContact CD1-CG2 3.78Å; I518-I561 HydrophobicContact CG1-CG2 4.41Å
519	S	95.8	Very high	95.5	Very high	18 Å²	18	30.6 Å²	30.6	13%	0.126	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.4	174.3	-62.4	0	0	0	0	110	Y509 T510 Q530	Y509-S519 CarbonylContact O-C 3.6Å; Y509-S519 WeakPolarHBondContact O-CA 3.45Å; T510-S519 PolarHBondContact OG1-OG 3.38Å; S519-Q530 PolarHBondContact N-O 3.45Å; S519-Q530 CarbonylContact O-C 3.54Å; S519-Q530 WeakPolarHBondContact O-CA 3.48Å; S519-Q530 PolarHBondContact O-N 2.91Å
520	I	97.7	Very high	95.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.6	177	-59.8	174	0	0	0	107	I508 Y509 I522 C527 M528 L529 L550 M554 I561 L695	I508-I520 WeakPolarHBondContact CA-O 3.4Å; Y509-I520 PolarHBondContact N-O 2.82Å; Y509-I520 PolarHBondContact O-N 2.82Å; I520-I522 HydrophobicContact CG2-CG1 4.4Å; I520-C527 HydrophobicContact CG2-CB 3.79Å; I520-M528 WeakPolarHBondContact CA-O 3.47Å; I520-L529 HydrophobicContact CG1-CD1 4.32Å; I520-L550 HydrophobicContact CD1-CD2 4.36Å; I520-L550 HydrophobicContact CG1-CD2 4.43Å; I520-L550 HydrophobicContact CG2-CD2 3.82Å; I520-M554 HydrophobicContact CD1-CE 4.45Å; I520-M554 HydrophobicContact CD1-SD 4.3Å; I520-I561 HydrophobicContact CD1-CD1 4.27Å; I520-L695 HydrophobicContact CD1-CD2 4.19Å; I520-L695 HydrophobicContact CG2-CD1 4.1Å
521	T	97.7	Very high	94.3	Very high	10 Å²	10	35.2 Å²	35.2	6%	0.061	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.1	170.2	-54.3	0	0	0	0	108.5	L502 C527 M528 Q530 W544	L502-T521 HydrophobicContact CD1-CG2 4.05Å; T521-C527 CarbonylContact O-C 3.53Å; T521-C527 VanDerWaalsContact O-CA 3.28Å; T521-C527 WeakPolarHBondContact O-CA 3.48Å; T521-M528 HydrophobicContact CG2-CE 4.36Å; T521-M528 PolarHBondContact N-O 3.09Å; T521-M528 PolarHBondContact O-N 3.33Å; T521-Q530 VanDerWaalsContact OG1-CD 3.28Å; T521-Q530 PolarHBondContact OG1-NE2 2.65Å; T521-W544 HydrophobicContact CG2-CH2 3.85Å
522	I	98.1	Very high	92.7	Very high	1 Å²	1	39 Å²	39	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.8	-178.9	-55	166.8	0	0	0	107.5	S506 A507 I520 Q526 F688 T691 V692 L695	S506-I522 WeakPolarHBondContact CA-O 3.47Å; S506-I522 WeakPolarHBondContact CB-O 3.45Å; S506-I522 PolarHBondContact OG-O 2.89Å; A507-I522 PolarHBondContact N-O 2.89Å; A507-I522 VanDerWaalsContact N-O 3.1Å; A507-I522 PolarHBondContact O-N 3.01Å; I520-I522 HydrophobicContact CG2-CG1 4.4Å; I522-Q526 WeakPolarHBondContact CA-O 3.27Å; I522-F688 HydrophobicContact CB-CE2 4.41Å; I522-F688 HydrophobicContact CG2-CD2 3.89Å; I522-F688 HydrophobicContact CG2-CE2 3.95Å; I522-T691 HydrophobicContact CG2-CG2 3.67Å; I522-V692 HydrophobicContact CD1-CG2 3.87Å; I522-V692 HydrophobicContact CG2-CG2 4.37Å; I522-L695 HydrophobicContact CD1-CD1 3.5Å; I522-L695 VanDerWaalsContact CD1-CD1 3.5Å; I522-L695 HydrophobicContact CG1-CD1 3.72Å
523	E	96.8	Very high	91	Very high	90 Å²	90	43.4 Å²	43.4	42%	0.421	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	112.2	171.9	-174.7	170.1	-165.3	0	0	109.6	N505 S525 Q526 W544	N505-E523 WeakPolarHBondContact O-CA 3.39Å; E523-S525 PolarHBondContact O-N 2.88Å; E523-S525 VanDerWaalsContact O-N 3.16Å; E523-Q526 PolarHBondContact N-O 2.92Å; E523-Q526 PolarHBondContact O-N 3.27Å; E523-W544 HydrophobicContact CB-CH2 3.54Å; E523-W544 HydrophobicContact CB-CZ2 4.45Å; E523-W544 HydrophobicContact CB-CZ3 3.63Å
524	N	94.9	Very high	89.3	Confident	60 Å²	60	45.8 Å²	45.8	32%	0.321	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-118.3	-172.7	-54.7	-66	0	0	0	111.7	N505 F688 T691	N505-N524 VanDerWaalsContact CB-OD1 3.29Å; N505-N524 WeakPolarHBondContact CB-OD1 3.12Å; N505-N524 PolarHBondContact O-N 3.26Å; N524-F688 VanDerWaalsContact O-CA 3.31Å; N524-F688 WeakPolarHBondContact O-CA 3.47Å; N524-T691 PolarHBondContact O-OG1 3.39Å; N524-T691 VanDerWaalsContact O-OG1 3.11Å
525	S	94.7	Very high	87.9	Confident	36 Å²	36	53.9 Å²	53.9	25%	0.252	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	7.4	178.3	55.6	0	0	0	0	114.7	E523 T691	E523-S525 PolarHBondContact O-N 2.88Å; E523-S525 VanDerWaalsContact O-N 3.16Å; S525-T691 WeakPolarHBondContact CA-OG1 3.46Å
526	Q	96.7	Very high	86.8	Confident	92 Å²	92	51.7 Å²	51.7	43%	0.43	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.7	-173.8	-60.5	-167.8	-38.9	0	0	112.1	I522 E523 W544 M545	I522-Q526 WeakPolarHBondContact CA-O 3.27Å; E523-Q526 PolarHBondContact N-O 2.92Å; E523-Q526 PolarHBondContact O-N 3.27Å; Q526-W544 HydrophobicContact CB-CE3 3.81Å; Q526-W544 HydrophobicContact CB-CZ3 4.45Å; Q526-M545 CarbonylContact C-O 3.59Å; Q526-M545 WeakPolarHBondContact CA-O 3.3Å
527	C	97.8	Very high	86.4	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.5	178.9	-58.9	0	0	0	0	109.5	I520 T521 M545 L550 T691	I520-C527 HydrophobicContact CG2-CB 3.79Å; T521-C527 CarbonylContact O-C 3.53Å; T521-C527 VanDerWaalsContact O-CA 3.28Å; T521-C527 WeakPolarHBondContact O-CA 3.48Å; C527-M545 PolarHBondContact N-O 3.37Å; C527-M545 PolarHBondContact O-N 3.04Å; C527-L550 HydrophobicContact CB-CB 4.46Å; C527-L550 HydrophobicContact CB-CD2 3.4Å; C527-L550 VanDerWaalsContact CB-CD2 3.4Å; C527-T691 WeakPolarHBondContact SG-CG2 3.49Å
528	M	97.3	Very high	86	Confident	24 Å²	24	51.2 Å²	51.2	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.2	176.7	177.1	-179.1	64.8	0	0	109.6	I520 T521 G542 W544	I520-M528 WeakPolarHBondContact CA-O 3.47Å; T521-M528 HydrophobicContact CG2-CE 4.36Å; T521-M528 PolarHBondContact N-O 3.09Å; T521-M528 PolarHBondContact O-N 3.33Å; M528-G542 VanDerWaalsContact SD-C 3.5Å; M528-G542 VanDerWaalsContact SD-CA 3.53Å; M528-W544 HydrophobicContact CB-CD2 3.82Å; M528-W544 HydrophobicContact CB-CE3 3.62Å; M528-W544 HydrophobicContact CB-CG 4.48Å; M528-W544 HydrophobicContact CB-CH2 4.17Å; M528-W544 HydrophobicContact CB-CZ2 4.32Å; M528-W544 HydrophobicContact CB-CZ3 3.81Å; M528-W544 HydrophobicContact CE-CH2 4.24Å; M528-W544 HydrophobicContact CE-CZ2 3.81Å; M528-W544 HydrophobicContact SD-CD2 4.34Å; M528-W544 HydrophobicContact SD-CZ2 4.11Å
529	L	95.6	Very high	85.7	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.4	176.5	-177.7	69.4	0	0	0	111.3	I518 I520 V531 L540 G542 L550 M554 I559	I518-L529 HydrophobicContact CB-CD1 4.15Å; I518-L529 HydrophobicContact CD1-CD1 4.41Å; I518-L529 HydrophobicContact CG2-CD1 4.48Å; I520-L529 HydrophobicContact CG1-CD1 4.32Å; L529-V531 HydrophobicContact CD1-CG2 4.17Å; L529-V531 HydrophobicContact CD2-CG2 3.77Å; L529-V531 HydrophobicContact CG-CG2 3.81Å; L529-L540 HydrophobicContact CD2-CD2 3.49Å; L529-L540 VanDerWaalsContact CD2-CD2 3.49Å; L529-L540 HydrophobicContact CD2-CG 3.85Å; L529-G542 PolarHBondContact O-N 2.82Å; L529-G542 VanDerWaalsContact O-N 3.14Å; L529-L550 HydrophobicContact CB-CD1 4.07Å; L529-M554 HydrophobicContact CD1-CE 4.03Å; L529-M554 HydrophobicContact CD1-SD 4.2Å; L529-M554 HydrophobicContact CD2-CG 4.22Å; L529-I559 HydrophobicContact CD2-CD1 3.75Å
530	Q	90.2	Very high	85.5	Confident	79 Å²	79	53.8 Å²	53.8	37%	0.369	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.8	166.8	-60.5	-176.9	-18.5	0	0	108.1	S519 T521	S519-Q530 PolarHBondContact N-O 3.45Å; S519-Q530 CarbonylContact O-C 3.54Å; S519-Q530 WeakPolarHBondContact O-CA 3.48Å; S519-Q530 PolarHBondContact O-N 2.91Å; T521-Q530 VanDerWaalsContact OG1-CD 3.28Å; T521-Q530 PolarHBondContact OG1-NE2 2.65Å
531	V	80.3	Confident	85.2	Confident	33 Å²	33	56.5 Å²	56.5	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131	177.7	-176.3	0	0	0	0	107.8	I516 I518 L529 Q533 L537 V541	I516-V531 HydrophobicContact CD1-CG1 3.96Å; I518-V531 HydrophobicContact CG2-CG2 4.36Å; L529-V531 HydrophobicContact CD1-CG2 4.17Å; L529-V531 HydrophobicContact CD2-CG2 3.77Å; L529-V531 HydrophobicContact CG-CG2 3.81Å; V531-Q533 WeakPolarHBondContact CG1-O 3.32Å; V531-L537 HydrophobicContact CG2-CD1 4.21Å; V531-V541 HydrophobicContact CB-CG2 4.46Å; V531-V541 HydrophobicContact CG2-CG2 4.13Å
532	A	62.7	Low	84.9	Confident	81 Å²	81	58.1 Å²	58.1	67%	0.669	34%	0.336	S	S	*	.	S	Bend	trans	-66.9	-40.5	-176.4	0	0	0	0	0	111.8
533	Q	60	Low	84.7	Confident	174 Å²	174	63.3 Å²	63.3	81%	0.813	36%	0.358	S	S	*	.	S	Bend	trans	-155.9	141.7	-178.1	-61.9	-175.2	-5.2	0	0	111.1	V531	V531-Q533 WeakPolarHBondContact CG1-O 3.32Å
534	G	57.5	Low	84.7	Confident	55 Å²	55	63.6 Å²	63.6	57%	0.567	36%	0.355	S	S	*	.			trans	165.1	145	172.1	0	0	0	0	0	112.6
535	R	62.7	Low	84.8	Confident	190 Å²	190	63.3 Å²	63.3	72%	0.717	35%	0.353	S	S	*	.	S	Bend	trans	-75.1	144.4	161.6	-86.2	-169.8	177.3	-176.7	7.5	108.6	A468	A468-R535 VanDerWaalsContact O-CZ 3.27Å; A468-R535 PolarHBondContact O-NH1 3.49Å; A468-R535 PolarHBondContact O-NH2 3.27Å
536	G	68.3	Low	84.8	Confident	33 Å²	33	64.4 Å²	64.4	34%	0.34	36%	0.36	S	S	.	.	S	Bend	trans	85.9	-176.7	-178.5	0	0	0	0	0	113.6	E435 S538	E435-G536 WeakPolarHBondContact O-CA 3.42Å; G536-S538 VanDerWaalsContact C-N 3.35Å; G536-S538 PolarHBondContact O-N 3.02Å
537	L	83.1	Confident	84.7	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.016	35%	0.347	C	S	.	.			trans	72.8	7.8	177	-46.1	172.8	0	0	0	117.4	E435 I438 V531 H539 L540 V541 A557 I559	E435-L537 PolarHBondContact O-N 2.92Å; I438-L537 HydrophobicContact CG2-CD1 4.28Å; I438-L537 HydrophobicContact CG2-CD2 4.18Å; I438-L537 HydrophobicContact CG2-CG 4.48Å; V531-L537 HydrophobicContact CG2-CD1 4.21Å; L537-H539 PolarHBondContact O-N 3.06Å; L537-H539 VanDerWaalsContact O-N 3.09Å; L537-L540 PolarHBondContact O-N 2.95Å; L537-V541 HydrophobicContact CB-CG2 4.06Å; L537-V541 WeakPolarHBondContact O-CG2 3.15Å; L537-V541 PolarHBondContact O-N 3.35Å; L537-A557 HydrophobicContact CD2-CB 3.53Å; L537-I559 HydrophobicContact CD1-CD1 3.75Å; L537-I559 HydrophobicContact CD2-CD1 4.34Å
538	S	85.6	Confident	84.4	Confident	94 Å²	94	65.5 Å²	65.5	66%	0.657	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.7	174.9	59.5	0	0	0	0	113	G536 L540	G536-S538 VanDerWaalsContact C-N 3.35Å; G536-S538 PolarHBondContact O-N 3.02Å; S538-L540 VanDerWaalsContact C-N 3.26Å; S538-L540 PolarHBondContact O-N 3.46Å
539	H	87.3	Confident	84.2	Confident	70 Å²	70	66 Å²	66	32%	0.324	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.5	175.9	74.7	-78.6	0	0	0	114	W436 L537 K543	W436-H539 VanDerWaalsContact CA-CE1 3.45Å; W436-H539 WeakPolarHBondContact CA-CE1 3.21Å; W436-H539 PolarHBondContact O-CE1 3.26Å; L537-H539 PolarHBondContact O-N 3.06Å; L537-H539 VanDerWaalsContact O-N 3.09Å; H539-K543 WeakPolarHBondContact O-CD 3.32Å; H539-K543 WeakPolarHBondContact O-CE 3.26Å; H539-K543 PolarHBondContact O-NZ 2.77Å
540	L	90.8	Very high	84.3	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-43.7	-175.7	-177.3	59.9	0	0	0	112.4	L529 L537 S538 G542 K543 M545 L550 A553 M554 A557	L529-L540 HydrophobicContact CD2-CD2 3.49Å; L529-L540 VanDerWaalsContact CD2-CD2 3.49Å; L529-L540 HydrophobicContact CD2-CG 3.85Å; L537-L540 PolarHBondContact O-N 2.95Å; S538-L540 VanDerWaalsContact C-N 3.26Å; S538-L540 PolarHBondContact O-N 3.46Å; L540-G542 PolarHBondContact O-N 3.13Å; L540-K543 PolarHBondContact O-N 3.45Å; L540-M545 HydrophobicContact CD1-SD 4.04Å; L540-L550 HydrophobicContact CD1-CD1 4.06Å; L540-A553 HydrophobicContact CD1-CB 3.58Å; L540-M554 HydrophobicContact CD2-CG 4.01Å; L540-A557 HydrophobicContact CD2-CB 4.1Å
541	V	91.3	Very high	84.5	Confident	59 Å²	59	65.9 Å²	65.9	36%	0.358	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	133.6	-176.5	176.2	0	0	0	0	110.7	V531 L537 K543	V531-V541 HydrophobicContact CB-CG2 4.46Å; V531-V541 HydrophobicContact CG2-CG2 4.13Å; L537-V541 HydrophobicContact CB-CG2 4.06Å; L537-V541 WeakPolarHBondContact O-CG2 3.15Å; L537-V541 PolarHBondContact O-N 3.35Å; V541-K543 VanDerWaalsContact C-N 3.3Å; V541-K543 PolarHBondContact O-N 3.32Å
542	G	90.9	Very high	85	Confident	44 Å²	44	68 Å²	68	45%	0.454	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	4	177.6	0	0	0	0	0	115.4	M528 L529 L540	M528-G542 VanDerWaalsContact SD-C 3.5Å; M528-G542 VanDerWaalsContact SD-CA 3.53Å; L529-G542 PolarHBondContact O-N 2.82Å; L529-G542 VanDerWaalsContact O-N 3.14Å; L540-G542 PolarHBondContact O-N 3.13Å
543	K	95	Very high	86.5	Confident	110 Å²	110	65 Å²	65	48%	0.478	37%	0.368	S	S	.	.			trans	-97.4	131.1	176.5	-63.6	-171	-176	172.5	0	111.7	H539 L540 V541	H539-K543 WeakPolarHBondContact O-CD 3.32Å; H539-K543 WeakPolarHBondContact O-CE 3.26Å; H539-K543 PolarHBondContact O-NZ 2.77Å; L540-K543 PolarHBondContact O-N 3.45Å; V541-K543 VanDerWaalsContact C-N 3.3Å; V541-K543 PolarHBondContact O-N 3.32Å
544	W	97.2	Very high	88.2	Confident	95 Å²	95	56.7 Å²	56.7	36%	0.36	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	130.1	173.1	-67.8	104.3	0	0	0	111.2	T521 E523 Q526 M528	T521-W544 HydrophobicContact CG2-CH2 3.85Å; E523-W544 HydrophobicContact CB-CH2 3.54Å; E523-W544 HydrophobicContact CB-CZ2 4.45Å; E523-W544 HydrophobicContact CB-CZ3 3.63Å; Q526-W544 HydrophobicContact CB-CE3 3.81Å; Q526-W544 HydrophobicContact CB-CZ3 4.45Å; M528-W544 HydrophobicContact CB-CD2 3.82Å; M528-W544 HydrophobicContact CB-CE3 3.62Å; M528-W544 HydrophobicContact CB-CG 4.48Å; M528-W544 HydrophobicContact CB-CH2 4.17Å; M528-W544 HydrophobicContact CB-CZ2 4.32Å; M528-W544 HydrophobicContact CB-CZ3 3.81Å; M528-W544 HydrophobicContact CE-CH2 4.24Å; M528-W544 HydrophobicContact CE-CZ2 3.81Å; M528-W544 HydrophobicContact SD-CD2 4.34Å; M528-W544 HydrophobicContact SD-CZ2 4.11Å
545	M	96.4	Very high	89.8	Confident	55 Å²	55	55.8 Å²	55.8	27%	0.271	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.7	-178.4	-54.3	-174.8	79.6	0	0	109.8	Q526 C527 L540 A549 L550 A553	Q526-M545 CarbonylContact C-O 3.59Å; Q526-M545 WeakPolarHBondContact CA-O 3.3Å; C527-M545 PolarHBondContact N-O 3.37Å; C527-M545 PolarHBondContact O-N 3.04Å; L540-M545 HydrophobicContact CD1-SD 4.04Å; M545-A549 HydrophobicContact CB-CB 4.28Å; M545-A549 HydrophobicContact CE-CB 4.02Å; M545-L550 HydrophobicContact CB-CB 4.24Å; M545-L550 HydrophobicContact SD-CD1 4.34Å; M545-A553 HydrophobicContact CE-CB 4.12Å; M545-A553 HydrophobicContact SD-CB 4.09Å
546	S	94.8	Very high	91.2	Very high	59 Å²	59	52.1 Å²	52.1	41%	0.413	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	157.8	166.1	65.6	0	0	0	0	110.5	A549 L550	S546-A549 PolarHBondContact O-N 3.05Å; S546-A549 VanDerWaalsContact OG-CB 3.25Å; S546-A549 WeakPolarHBondContact OG-CB 3.39Å; S546-A549 PolarHBondContact OG-N 3.45Å; S546-L550 WeakPolarHBondContact O-CB 3.37Å; S546-L550 PolarHBondContact O-N 2.88Å
547	G	93.9	Very high	92.4	Very high	15 Å²	15	50.5 Å²	50.5	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-49.6	-53.4	176.7	0	0	0	0	0	113.8	A549 L550 Q551	G547-A549 PolarHBondContact O-N 3.04Å; G547-L550 PolarHBondContact O-N 3.12Å; G547-Q551 PolarHBondContact O-N 2.63Å
548	P	92.4	Very high	92.8	Very high	99 Å²	99	50.5 Å²	50.5	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-61.8	-40.1	177.7	-25.8	35.4	0	0	0	113.8	L550 Q551 K552	P548-L550 VanDerWaalsContact C-N 3.34Å; P548-Q551 PolarHBondContact O-N 3.32Å; P548-K552 PolarHBondContact O-N 2.93Å
549	A	93.5	Very high	93.1	Very high	36 Å²	36	46 Å²	46	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-66.5	-38.4	177.9	0	0	0	0	0	111.5	M545 S546 G547 K552 A553	M545-A549 HydrophobicContact CB-CB 4.28Å; M545-A549 HydrophobicContact CE-CB 4.02Å; S546-A549 PolarHBondContact O-N 3.05Å; S546-A549 VanDerWaalsContact OG-CB 3.25Å; S546-A549 WeakPolarHBondContact OG-CB 3.39Å; S546-A549 PolarHBondContact OG-N 3.45Å; G547-A549 PolarHBondContact O-N 3.04Å; A549-K552 PolarHBondContact O-N 3.05Å; A549-A553 WeakPolarHBondContact O-CB 3.17Å; A549-A553 PolarHBondContact O-N 3.23Å
550	L	95.8	Very high	93.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-46.6	174.4	-178.6	62.7	0	0	0	111.1	I520 C527 L529 L540 M545 S546 G547 P548 K552 A553 M554	I520-L550 HydrophobicContact CD1-CD2 4.36Å; I520-L550 HydrophobicContact CG1-CD2 4.43Å; I520-L550 HydrophobicContact CG2-CD2 3.82Å; C527-L550 HydrophobicContact CB-CB 4.46Å; C527-L550 HydrophobicContact CB-CD2 3.4Å; C527-L550 VanDerWaalsContact CB-CD2 3.4Å; L529-L550 HydrophobicContact CB-CD1 4.07Å; L540-L550 HydrophobicContact CD1-CD1 4.06Å; M545-L550 HydrophobicContact CB-CB 4.24Å; M545-L550 HydrophobicContact SD-CD1 4.34Å; S546-L550 WeakPolarHBondContact O-CB 3.37Å; S546-L550 PolarHBondContact O-N 2.88Å; G547-L550 PolarHBondContact O-N 3.12Å; P548-L550 VanDerWaalsContact C-N 3.34Å; L550-K552 VanDerWaalsContact C-N 3.34Å; L550-K552 PolarHBondContact O-N 3.33Å; L550-A553 PolarHBondContact O-N 3.02Å; L550-A553 VanDerWaalsContact O-N 3.17Å; L550-M554 HydrophobicContact CD1-CG 4.09Å; L550-M554 HydrophobicContact CD1-SD 4.09Å; L550-M554 HydrophobicContact CD2-SD 4.17Å; L550-M554 HydrophobicContact CG-CG 4.23Å; L550-M554 HydrophobicContact CG-SD 3.73Å; L550-M554 WeakPolarHBondContact O-CB 3.29Å; L550-M554 VanDerWaalsContact O-CG 3.28Å; L550-M554 WeakPolarHBondContact O-CG 3.27Å; L550-M554 PolarHBondContact O-N 3.11Å
551	Q	95	Very high	93.4	Very high	74 Å²	74	43.5 Å²	43.5	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-56.4	-47.6	176.3	171.9	171.8	4.1	0	0	111.6	G547 P548 A553 M554 A555 F562	G547-Q551 PolarHBondContact O-N 2.63Å; P548-Q551 PolarHBondContact O-N 3.32Å; Q551-A553 VanDerWaalsContact C-N 3.34Å; Q551-A553 PolarHBondContact O-N 3.48Å; Q551-M554 PolarHBondContact O-N 3.16Å; Q551-A555 WeakPolarHBondContact O-CB 3.41Å; Q551-A555 PolarHBondContact O-N 2.76Å; Q551-F562 HydrophobicContact CB-CD1 4.49Å; Q551-F562 HydrophobicContact CB-CD2 4.19Å; Q551-F562 HydrophobicContact CB-CE1 4.18Å; Q551-F562 HydrophobicContact CB-CE2 3.86Å; Q551-F562 HydrophobicContact CB-CG 4.48Å; Q551-F562 HydrophobicContact CB-CZ 3.85Å; Q551-F562 HydrophobicContact CG-CB 4.34Å; Q551-F562 HydrophobicContact CG-CD1 4.11Å; Q551-F562 HydrophobicContact CG-CD2 3.58Å; Q551-F562 HydrophobicContact CG-CE1 4.29Å; Q551-F562 HydrophobicContact CG-CE2 3.79Å; Q551-F562 HydrophobicContact CG-CG 3.74Å; Q551-F562 HydrophobicContact CG-CZ 4.14Å
552	K	92.1	Very high	93.6	Very high	77 Å²	77	41.6 Å²	41.6	34%	0.335	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-43.5	176.1	-172.4	180	-175.7	-176.9	0	111.7	E151 P548 A549 L550 A555 K556	E151-K552 IonicContact OE1-NZ 3.92Å; E151-K552 PolarHBondContact OE1-NZ 3.22Å; P548-K552 PolarHBondContact O-N 2.93Å; A549-K552 PolarHBondContact O-N 3.05Å; L550-K552 VanDerWaalsContact C-N 3.34Å; L550-K552 PolarHBondContact O-N 3.33Å; K552-A555 PolarHBondContact O-N 3.27Å; K552-K556 WeakPolarHBondContact O-CB 3.47Å; K552-K556 WeakPolarHBondContact O-CG 3.4Å; K552-K556 PolarHBondContact O-N 3.27Å
553	A	94.1	Very high	93.7	Very high	19 Å²	19	40.7 Å²	40.7	16%	0.157	22%	0.22	C	C	.	.	H	α-helix	trans	-67.7	-41.9	-179.9	0	0	0	0	0	112.3	L540 M545 A549 L550 Q551 K556 A557	L540-A553 HydrophobicContact CD1-CB 3.58Å; M545-A553 HydrophobicContact CE-CB 4.12Å; M545-A553 HydrophobicContact SD-CB 4.09Å; A549-A553 WeakPolarHBondContact O-CB 3.17Å; A549-A553 PolarHBondContact O-N 3.23Å; L550-A553 PolarHBondContact O-N 3.02Å; L550-A553 VanDerWaalsContact O-N 3.17Å; Q551-A553 VanDerWaalsContact C-N 3.34Å; Q551-A553 PolarHBondContact O-N 3.48Å; A553-K556 PolarHBondContact O-N 2.91Å; A553-A557 VanDerWaalsContact O-CB 3.26Å; A553-A557 WeakPolarHBondContact O-CB 3.45Å; A553-A557 PolarHBondContact O-N 2.84Å
554	M	94.3	Very high	93.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-46.2	174.2	-74.1	175.1	67.6	0	0	111.6	I518 I520 L529 L540 L550 Q551 K556 A557 G558 I559 I561 F562	I518-M554 HydrophobicContact CD1-CE 3.39Å; I520-M554 HydrophobicContact CD1-CE 4.45Å; I520-M554 HydrophobicContact CD1-SD 4.3Å; L529-M554 HydrophobicContact CD1-CE 4.03Å; L529-M554 HydrophobicContact CD1-SD 4.2Å; L529-M554 HydrophobicContact CD2-CG 4.22Å; L540-M554 HydrophobicContact CD2-CG 4.01Å; L550-M554 HydrophobicContact CD1-CG 4.09Å; L550-M554 HydrophobicContact CD1-SD 4.09Å; L550-M554 HydrophobicContact CD2-SD 4.17Å; L550-M554 HydrophobicContact CG-CG 4.23Å; L550-M554 HydrophobicContact CG-SD 3.73Å; L550-M554 WeakPolarHBondContact O-CB 3.29Å; L550-M554 VanDerWaalsContact O-CG 3.28Å; L550-M554 WeakPolarHBondContact O-CG 3.27Å; L550-M554 PolarHBondContact O-N 3.11Å; Q551-M554 PolarHBondContact O-N 3.16Å; M554-K556 PolarHBondContact O-N 2.95Å; M554-A557 PolarHBondContact O-N 2.83Å; M554-A557 VanDerWaalsContact O-N 3.08Å; M554-G558 PolarHBondContact O-N 3.26Å; M554-G558 VanDerWaalsContact O-N 3.16Å; M554-I559 CarbonylContact C-O 3.51Å; M554-I559 HydrophobicContact CB-CB 4.16Å; M554-I559 HydrophobicContact CE-CB 4.25Å; M554-I559 HydrophobicContact CE-CG2 3.52Å; M554-I559 PolarHBondContact O-N 2.82Å; M554-I561 HydrophobicContact CE-CD1 3.97Å; M554-I561 HydrophobicContact CE-CG1 3.77Å; M554-F562 HydrophobicContact CB-CE2 4.18Å; M554-F562 HydrophobicContact CE-CE2 3.92Å; M554-F562 HydrophobicContact CE-CZ 4.18Å; M554-F562 HydrophobicContact SD-CE2 3.84Å; M554-F562 HydrophobicContact SD-CZ 3.87Å
555	A	92.3	Very high	93	Very high	36 Å²	36	42.2 Å²	42.2	30%	0.298	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-45.4	175.7	0	0	0	0	0	111.7	R486 Q551 K552 A557 G558	R486-A555 VanDerWaalsContact CZ-O 3.27Å; R486-A555 PolarHBondContact NH1-O 3.5Å; R486-A555 PolarHBondContact NH2-O 3.42Å; Q551-A555 WeakPolarHBondContact O-CB 3.41Å; Q551-A555 PolarHBondContact O-N 2.76Å; K552-A555 PolarHBondContact O-N 3.27Å; A555-A557 PolarHBondContact O-N 3.04Å; A555-G558 PolarHBondContact O-N 2.84Å
556	K	91.6	Very high	92.7	Very high	112 Å²	112	41.6 Å²	41.6	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-27.1	174.7	-77.4	-175.2	171.8	-169.3	0	113.1	E147 L366 K552 A553 M554	E147-K556 IonicContact OE1-NZ 2.63Å; E147-K556 PolarHBondContact OE1-NZ 2.87Å; L366-K556 WeakPolarHBondContact CD1-O 3.45Å; K552-K556 WeakPolarHBondContact O-CB 3.47Å; K552-K556 WeakPolarHBondContact O-CG 3.4Å; K552-K556 PolarHBondContact O-N 3.27Å; A553-K556 PolarHBondContact O-N 2.91Å; M554-K556 PolarHBondContact O-N 2.95Å
557	A	92.9	Very high	92.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-92.1	-9.9	-175	0	0	0	0	0	115	V437 I438 L537 L540 A553 M554 A555	V437-A557 CarbonylContact C-O 3.47Å; V437-A557 VanDerWaalsContact CA-O 3.26Å; V437-A557 WeakPolarHBondContact CA-O 3.36Å; I438-A557 WeakPolarHBondContact CG2-O 3.06Å; I438-A557 PolarHBondContact N-O 3.05Å; L537-A557 HydrophobicContact CD2-CB 3.53Å; L540-A557 HydrophobicContact CD2-CB 4.1Å; A553-A557 VanDerWaalsContact O-CB 3.26Å; A553-A557 WeakPolarHBondContact O-CB 3.45Å; A553-A557 PolarHBondContact O-N 2.84Å; M554-A557 PolarHBondContact O-N 2.83Å; M554-A557 VanDerWaalsContact O-N 3.08Å; A555-A557 PolarHBondContact O-N 3.04Å
558	G	92.3	Very high	92.2	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.7	-6.8	-176.2	0	0	0	0	0	115.7	I438 R486 M554 A555	I438-G558 WeakPolarHBondContact O-CA 3.45Å; R486-G558 VanDerWaalsContact NH1-N 3.18Å; M554-G558 PolarHBondContact O-N 3.26Å; M554-G558 VanDerWaalsContact O-N 3.16Å; A555-G558 PolarHBondContact O-N 2.84Å
559	I	91.9	Very high	92	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.			trans	-107.7	97.5	-167.7	-54.7	168.1	0	0	0	109.8	I438 I518 L529 L537 M554 I561	I438-I559 HydrophobicContact CG2-CG1 4.23Å; I518-I559 HydrophobicContact CD1-CG2 4.05Å; I518-I559 HydrophobicContact CG2-CG2 4.33Å; L529-I559 HydrophobicContact CD2-CD1 3.75Å; L537-I559 HydrophobicContact CD1-CD1 3.75Å; L537-I559 HydrophobicContact CD2-CD1 4.34Å; M554-I559 CarbonylContact C-O 3.51Å; M554-I559 HydrophobicContact CB-CB 4.16Å; M554-I559 HydrophobicContact CE-CB 4.25Å; M554-I559 HydrophobicContact CE-CG2 3.52Å; M554-I559 PolarHBondContact O-N 2.82Å; I559-I561 HydrophobicContact CG2-CG2 4.35Å
560	D	90.9	Very high	91.8	Very high	18 Å²	18	43.9 Å²	43.9	10%	0.096	21%	0.214	C	C	.	.			trans	-99.1	109.4	172.7	-61.5	-46	0	0	0	110.3	R486 T488 N491	R486-D560 IonicContact CZ-OD1 2.93Å; R486-D560 IonicContact CZ-OD2 2.78Å; R486-D560 IonicContact NE-OD1 3.33Å; R486-D560 IonicContact NE-OD2 2.76Å; R486-D560 PolarHBondContact NE-OD2 3.12Å; R486-D560 IonicContact NH2-OD1 3.94Å; R486-D560 PolarHBondContact NH2-OD1 2.84Å; R486-D560 IonicContact NH2-OD2 3.63Å; R486-D560 PolarHBondContact NH2-OD2 3.47Å; T488-D560 WeakPolarHBondContact O-CB 3.41Å; N491-D560 WeakPolarHBondContact CB-O 3.05Å; N491-D560 PolarHBondContact ND2-O 2.91Å
561	I	93.7	Very high	91.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.218	C	C	.	.			trans	-131.5	2.1	169.9	56	131.6	0	0	0	111.5	F494 I518 I520 M554 I559 T699	F494-I561 HydrophobicContact CE1-CB 4.29Å; F494-I561 HydrophobicContact CE1-CG2 4.47Å; F494-I561 HydrophobicContact CZ-CB 4.47Å; F494-I561 WeakPolarHBondContact CZ-O 3.36Å; I518-I561 HydrophobicContact CD1-CB 4.29Å; I518-I561 HydrophobicContact CD1-CD1 3.5Å; I518-I561 HydrophobicContact CD1-CG1 3.67Å; I518-I561 HydrophobicContact CD1-CG2 3.78Å; I518-I561 HydrophobicContact CG1-CG2 4.41Å; I520-I561 HydrophobicContact CD1-CD1 4.27Å; M554-I561 HydrophobicContact CE-CD1 3.97Å; M554-I561 HydrophobicContact CE-CG1 3.77Å; I559-I561 HydrophobicContact CG2-CG2 4.35Å; I561-T699 HydrophobicContact CD1-CG2 3.68Å
562	F	95.3	Very high	91.1	Very high	19 Å²	19	45.2 Å²	45.2	8%	0.083	23%	0.23	C	C	.	.	S	Bend	trans	-99.6	132.9	-176.7	-56.6	-80.2	0	0	0	109.4	Q551 M554 L695 A698 T699	Q551-F562 HydrophobicContact CB-CD1 4.49Å; Q551-F562 HydrophobicContact CB-CD2 4.19Å; Q551-F562 HydrophobicContact CB-CE1 4.18Å; Q551-F562 HydrophobicContact CB-CE2 3.86Å; Q551-F562 HydrophobicContact CB-CG 4.48Å; Q551-F562 HydrophobicContact CB-CZ 3.85Å; Q551-F562 HydrophobicContact CG-CB 4.34Å; Q551-F562 HydrophobicContact CG-CD1 4.11Å; Q551-F562 HydrophobicContact CG-CD2 3.58Å; Q551-F562 HydrophobicContact CG-CE1 4.29Å; Q551-F562 HydrophobicContact CG-CE2 3.79Å; Q551-F562 HydrophobicContact CG-CG 3.74Å; Q551-F562 HydrophobicContact CG-CZ 4.14Å; M554-F562 HydrophobicContact CB-CE2 4.18Å; M554-F562 HydrophobicContact CE-CE2 3.92Å; M554-F562 HydrophobicContact CE-CZ 4.18Å; M554-F562 HydrophobicContact SD-CE2 3.84Å; M554-F562 HydrophobicContact SD-CZ 3.87Å; F562-L695 HydrophobicContact CE1-CD2 4.25Å; F562-A698 CarbonylContact C-O 3.51Å; F562-A698 WeakPolarHBondContact CA-O 3.46Å; F562-A698 HydrophobicContact CD1-CB 3.82Å; F562-A698 HydrophobicContact CE1-CB 4.43Å; F562-T699 HydrophobicContact CD1-CG2 3.87Å; F562-T699 HydrophobicContact CE1-CG2 4.04Å
563	V	93.2	Very high	90.9	Very high	26 Å²	26	44.8 Å²	44.8	16%	0.158	23%	0.231	C	C	.	.			trans	-80.3	130.3	-177.2	175.4	0	0	0	0	109.2	F492 T567 A698 T699 R700 F704	F492-V563 HydrophobicContact CE1-CG2 3.62Å; F492-V563 HydrophobicContact CZ-CG2 3.83Å; V563-T567 HydrophobicContact CG1-CG2 4.3Å; V563-T567 HydrophobicContact CG2-CG2 4.47Å; V563-A698 PolarHBondContact N-O 2.94Å; V563-T699 VanDerWaalsContact CG2-O 3.29Å; V563-T699 WeakPolarHBondContact CG2-O 3.43Å; V563-R700 HydrophobicContact CB-CG 4.45Å; V563-R700 HydrophobicContact CG2-CB 4.12Å; V563-F704 HydrophobicContact CB-CE2 4.19Å; V563-F704 HydrophobicContact CG1-CD2 4.31Å; V563-F704 HydrophobicContact CG1-CE1 4.45Å; V563-F704 HydrophobicContact CG1-CE2 3.49Å; V563-F704 VanDerWaalsContact CG1-CE2 3.49Å; V563-F704 HydrophobicContact CG1-CZ 3.57Å; V563-F704 HydrophobicContact CG2-CD1 4.41Å; V563-F704 HydrophobicContact CG2-CD2 3.56Å; V563-F704 HydrophobicContact CG2-CE1 4.47Å; V563-F704 HydrophobicContact CG2-CE2 3.63Å; V563-F704 HydrophobicContact CG2-CG 3.97Å; V563-F704 HydrophobicContact CG2-CZ 4.1Å
564	N	90	Very high	90.6	Very high	65 Å²	65	45.1 Å²	45.1	35%	0.348	23%	0.232	S	C	.	.			trans	-111.6	175.4	169.7	69.1	44.3	0	0	0	111.5	N566 T567	N564-N566 PolarHBondContact O-N 3.37Å; N564-N566 VanDerWaalsContact O-N 3.07Å; N564-N566 WeakPolarHBondContact OD1-CA 3.25Å; N564-N566 PolarHBondContact OD1-N 3.26Å; N564-T567 PolarHBondContact N-OG1 2.83Å; N564-T567 WeakPolarHBondContact O-CB 3.3Å; N564-T567 PolarHBondContact O-N 2.92Å; N564-T567 VanDerWaalsContact O-N 3.14Å; N564-T567 PolarHBondContact O-OG1 3.3Å; N564-T567 PolarHBondContact OD1-N 2.93Å; N564-T567 VanDerWaalsContact OD1-N 3.15Å; N564-T567 PolarHBondContact OD1-OG1 3.05Å
565	E	87.3	Confident	90.4	Very high	171 Å²	171	50.8 Å²	50.8	80%	0.799	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-27.7	-178.2	-62.3	175.8	-177.6	0	0	113.9	H568	E565-H568 PolarHBondContact O-CE1 2.89Å; E565-H568 PolarHBondContact O-ND1 2.96Å
566	N	88.6	Confident	90.5	Very high	42 Å²	42	49.7 Å²	49.7	23%	0.225	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-7.8	-175.9	-65.5	-60.6	0	0	0	114.2	V361 F489 N564 H568 K569 Y570	V361-N566 HydrophobicContact CG1-CB 3.34Å; V361-N566 WeakPolarHBondContact CG1-ND2 3.33Å; F489-N566 HydrophobicContact CZ-CB 4.18Å; N564-N566 PolarHBondContact O-N 3.37Å; N564-N566 VanDerWaalsContact O-N 3.07Å; N564-N566 WeakPolarHBondContact OD1-CA 3.25Å; N564-N566 PolarHBondContact OD1-N 3.26Å; N566-H568 PolarHBondContact O-N 3.28Å; N566-H568 VanDerWaalsContact O-N 3.15Å; N566-K569 HydrophobicContact CB-CD 4.42Å; N566-K569 VanDerWaalsContact O-CB 3.31Å; N566-K569 WeakPolarHBondContact O-CB 3.39Å; N566-K569 PolarHBondContact O-N 3.28Å; N566-K569 PolarHBondContact OD1-NZ 2.87Å; N566-Y570 HydrophobicContact CB-CE2 4.35Å; N566-Y570 WeakPolarHBondContact O-CD2 3.29Å
567	T	90.4	Very high	90.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-53.8	-40	-175.4	-42.6	0	0	0	0	113	F489 F492 V563 N564 K569 Y570 V571 F704	F489-T567 HydrophobicContact CD1-CG2 3.9Å; F489-T567 VanDerWaalsContact CE1-CA 3.48Å; F489-T567 HydrophobicContact CE1-CG2 4.15Å; F492-T567 HydrophobicContact CD1-CG2 4.42Å; F492-T567 HydrophobicContact CD2-CG2 4.23Å; F492-T567 HydrophobicContact CE1-CG2 4.34Å; F492-T567 HydrophobicContact CE2-CG2 4.17Å; F492-T567 HydrophobicContact CG-CG2 4.35Å; F492-T567 HydrophobicContact CZ-CG2 4.22Å; V563-T567 HydrophobicContact CG1-CG2 4.3Å; V563-T567 HydrophobicContact CG2-CG2 4.47Å; N564-T567 PolarHBondContact N-OG1 2.83Å; N564-T567 WeakPolarHBondContact O-CB 3.3Å; N564-T567 PolarHBondContact O-N 2.92Å; N564-T567 VanDerWaalsContact O-N 3.14Å; N564-T567 PolarHBondContact O-OG1 3.3Å; N564-T567 PolarHBondContact OD1-N 2.93Å; N564-T567 VanDerWaalsContact OD1-N 3.15Å; N564-T567 PolarHBondContact OD1-OG1 3.05Å; T567-K569 PolarHBondContact O-N 2.8Å; T567-K569 VanDerWaalsContact O-N 3.16Å; T567-Y570 PolarHBondContact O-N 2.88Å; T567-V571 HydrophobicContact CG2-CB 4.49Å; T567-V571 HydrophobicContact CG2-CG2 3.99Å; T567-V571 WeakPolarHBondContact O-CB 3.49Å; T567-V571 WeakPolarHBondContact O-CG2 3.41Å; T567-V571 PolarHBondContact O-N 3.45Å; T567-F704 HydrophobicContact CG2-CD1 3.94Å; T567-F704 HydrophobicContact CG2-CE1 3.34Å; T567-F704 HydrophobicContact CG2-CZ 3.93Å
568	H	88.4	Confident	90.6	Very high	88 Å²	88	50.9 Å²	50.9	41%	0.407	26%	0.262	S	S	.	.	H	α-helix	trans	-63.5	-19.1	179.8	69.6	-86	0	0	0	114.1	E565 N566 I573	E565-H568 PolarHBondContact O-CE1 2.89Å; E565-H568 PolarHBondContact O-ND1 2.96Å; N566-H568 PolarHBondContact O-N 3.28Å; N566-H568 VanDerWaalsContact O-N 3.15Å; H568-I573 HydrophobicContact CB-CD1 4.41Å
569	K	88.8	Confident	90.6	Very high	96 Å²	96	59.9 Å²	59.9	42%	0.417	30%	0.295	S	S	.	.	H	α-helix	trans	-78.8	-27.2	178.7	-60.2	177.9	177.1	169.4	0	112.6	N566 T567	N566-K569 HydrophobicContact CB-CD 4.42Å; N566-K569 VanDerWaalsContact O-CB 3.31Å; N566-K569 WeakPolarHBondContact O-CB 3.39Å; N566-K569 PolarHBondContact O-N 3.28Å; N566-K569 PolarHBondContact OD1-NZ 2.87Å; T567-K569 PolarHBondContact O-N 2.8Å; T567-K569 VanDerWaalsContact O-N 3.16Å
570	Y	88.8	Confident	90.7	Very high	72 Å²	72	60.5 Å²	60.5	28%	0.282	30%	0.298	S	S	.	.	H	α-helix	trans	-112.8	-8.9	-171.4	-61.2	-84.9	0	0	0	113.7	N359 V361 Q362 F489 N566 T567	N359-Y570 PolarHBondContact ND2-OH 3.05Å; V361-Y570 HydrophobicContact CB-CE2 4.43Å; V361-Y570 HydrophobicContact CG1-CE2 3.71Å; Q362-Y570 HydrophobicContact CB-CD1 4.19Å; Q362-Y570 HydrophobicContact CB-CE1 3.63Å; Q362-Y570 HydrophobicContact CG-CD1 3.91Å; Q362-Y570 HydrophobicContact CG-CE1 3.83Å; F489-Y570 HydrophobicContact CD2-CD1 4.35Å; F489-Y570 AromaticContact CD2-CD2 3.57Å; F489-Y570 HydrophobicContact CD2-CD2 3.57Å; F489-Y570 HydrophobicContact CD2-CE2 4.36Å; F489-Y570 AromaticContact CD2-CG 3.56Å; F489-Y570 HydrophobicContact CD2-CG 3.56Å; F489-Y570 HydrophobicContact CE2-CD1 4.49Å; F489-Y570 AromaticContact CE2-CD2 3.14Å; F489-Y570 HydrophobicContact CE2-CD2 3.14Å; F489-Y570 AromaticContact CE2-CE2 3.61Å; F489-Y570 HydrophobicContact CE2-CE2 3.61Å; F489-Y570 AromaticContact CE2-CG 3.66Å; F489-Y570 HydrophobicContact CE2-CG 3.66Å; F489-Y570 HydrophobicContact CG-CD2 4.48Å; F489-Y570 HydrophobicContact CG-CG 4.42Å; F489-Y570 AromaticContact CZ-CD2 3.77Å; F489-Y570 HydrophobicContact CZ-CD2 3.77Å; F489-Y570 HydrophobicContact CZ-CE2 4.23Å; N566-Y570 HydrophobicContact CB-CE2 4.35Å; N566-Y570 WeakPolarHBondContact O-CD2 3.29Å; T567-Y570 PolarHBondContact O-N 2.88Å
571	V	89.7	Confident	90.9	Very high	16 Å²	16	59.9 Å²	59.9	10%	0.097	30%	0.295	C	S	.	.	S	Bend	trans	-130.9	138.5	-171	-175.3	0	0	0	0	110	F489 F492 P493 T567 I573 F704	F489-V571 HydrophobicContact CB-CG2 3.87Å; F489-V571 HydrophobicContact CD1-CG2 4.5Å; F489-V571 HydrophobicContact CG-CG2 4.38Å; F492-V571 HydrophobicContact CB-CB 4.17Å; F492-V571 HydrophobicContact CB-CG1 3.45Å; F492-V571 VanDerWaalsContact CB-CG1 3.45Å; F492-V571 HydrophobicContact CB-CG2 3.59Å; F492-V571 HydrophobicContact CG-CG1 4.44Å; F492-V571 HydrophobicContact CG-CG2 4.24Å; P493-V571 HydrophobicContact CB-CG1 4.27Å; T567-V571 HydrophobicContact CG2-CB 4.49Å; T567-V571 HydrophobicContact CG2-CG2 3.99Å; T567-V571 WeakPolarHBondContact O-CB 3.49Å; T567-V571 WeakPolarHBondContact O-CG2 3.41Å; T567-V571 PolarHBondContact O-N 3.45Å; V571-I573 PolarHBondContact O-N 3Å; V571-F704 HydrophobicContact CG1-CD1 4.26Å
572	S	86.2	Confident	91	Very high	87 Å²	87	62.9 Å²	62.9	61%	0.608	31%	0.309	S	S	*	.			trans	-65	128.6	167.5	57	0	0	0	0	111.4
573	I	88.3	Confident	90.9	Very high	68 Å²	68	64.1 Å²	64.1	35%	0.349	31%	0.314	S	S	.	.			trans	-118.5	148.6	-178.3	62.7	171.5	0	0	0	112.7	H568 V571 K575 V703 F704	H568-I573 HydrophobicContact CB-CD1 4.41Å; V571-I573 PolarHBondContact O-N 3Å; I573-K575 HydrophobicContact CD1-CB 4.33Å; I573-K575 HydrophobicContact CG1-CB 4.5Å; I573-K575 PolarHBondContact O-N 3.27Å; I573-V703 HydrophobicContact CB-CG1 4.01Å; I573-V703 HydrophobicContact CG2-CG1 4.3Å; I573-F704 HydrophobicContact CG2-CD1 3.72Å; I573-F704 HydrophobicContact CG2-CE1 3.33Å; I573-F704 HydrophobicContact CG2-CZ 3.85Å
574	C	88.5	Confident	91.1	Very high	27 Å²	27	62.9 Å²	62.9	18%	0.182	31%	0.306	C	S	.	.			trans	-79.5	89.8	158.7	-68.2	0	0	0	0	107.2	K576 V703 S705	C574-K576 WeakPolarHBondContact O-CG 3.23Å; C574-K576 PolarHBondContact O-N 3.41Å; C574-V703 PolarHBondContact N-O 3Å; C574-S705 PolarHBondContact SG-O 3.19Å; C574-S705 VanDerWaalsContact SG-O 3.38Å
575	K	90.1	Very high	91.5	Very high	119 Å²	119	59.9 Å²	59.9	52%	0.517	29%	0.29	S	S	.	.			trans	-60.5	123.1	-176.9	-176.9	168.1	168.8	-121.5	0	110.6	I573 E608	I573-K575 HydrophobicContact CD1-CB 4.33Å; I573-K575 HydrophobicContact CG1-CB 4.5Å; I573-K575 PolarHBondContact O-N 3.27Å; K575-E608 HydrophobicContact CB-CG 4.43Å; K575-E608 WeakPolarHBondContact CD-OE1 3.15Å; K575-E608 WeakPolarHBondContact CE-OE2 2.93Å; K575-E608 HydrophobicContact CG-CG 4.33Å; K575-E608 IonicContact NZ-OE1 3.94Å; K575-E608 PolarHBondContact NZ-OE1 3.3Å; K575-E608 IonicContact NZ-OE2 2.65Å; K575-E608 PolarHBondContact NZ-OE2 2.98Å; K575-E608 WeakPolarHBondContact O-CA 3.34Å
576	K	93.8	Very high	92	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.057	26%	0.261	C	S	.	.			trans	-128	154.8	179	-58.9	-59	177.5	175.2	0	111.8	C574 P578 N603 C606 G607 E608 N610 L611 V703	C574-K576 WeakPolarHBondContact O-CG 3.23Å; C574-K576 PolarHBondContact O-N 3.41Å; K576-P578 VanDerWaalsContact O-CD 3.3Å; K576-P578 WeakPolarHBondContact O-CD 3.37Å; K576-N603 WeakPolarHBondContact CE-O 3.19Å; K576-N603 WeakPolarHBondContact CE-OD1 3.41Å; K576-N603 PolarHBondContact NZ-O 2.98Å; K576-N603 PolarHBondContact NZ-OD1 3.24Å; K576-C606 PolarHBondContact NZ-SG 3.4Å; K576-G607 PolarHBondContact NZ-O 3.14Å; K576-E608 CarbonylContact C-O 3.36Å; K576-E608 WeakPolarHBondContact CA-O 3.47Å; K576-N610 WeakPolarHBondContact CD-O 3.14Å; K576-N610 PolarHBondContact NZ-O 3.32Å; K576-L611 HydrophobicContact CB-CD2 4.09Å; K576-L611 HydrophobicContact CD-CD2 3.71Å; K576-L611 HydrophobicContact CG-CD2 3.61Å; K576-V703 HydrophobicContact CB-CG2 3.83Å; K576-V703 HydrophobicContact CG-CG2 3.89Å
577	N	93.1	Very high	92.4	Very high	50 Å²	50	51.4 Å²	51.4	27%	0.267	25%	0.251	S	S	.	.			trans	-61.6	117.2	168.9	-171.2	-43.8	0	0	0	109.8	R579 I580 E581 E608 D609	N577-R579 PolarHBondContact O-N 2.9Å; N577-R579 VanDerWaalsContact O-N 3.13Å; N577-R579 PolarHBondContact OD1-N 2.93Å; N577-R579 VanDerWaalsContact OD1-N 3.09Å; N577-I580 HydrophobicContact CB-CB 4.27Å; N577-I580 HydrophobicContact CB-CD1 3.84Å; N577-I580 HydrophobicContact CB-CG1 3.93Å; N577-I580 PolarHBondContact O-N 2.78Å; N577-I580 VanDerWaalsContact O-N 3.11Å; N577-E581 PolarHBondContact O-N 2.96Å; N577-E608 PolarHBondContact N-O 3.35Å; N577-D609 PolarHBondContact ND2-OD1 3.21Å
578	P	92.8	Very high	92.8	Very high	86 Å²	86	51.4 Å²	51.4	56%	0.558	25%	0.25	S	S	*	.	H	α-helix	trans	-59.2	-29.8	-175	-26.2	35	0	0	0	113.9	K576 Q582	K576-P578 VanDerWaalsContact O-CD 3.3Å; K576-P578 WeakPolarHBondContact O-CD 3.37Å; P578-Q582 WeakPolarHBondContact O-CB 3.39Å; P578-Q582 PolarHBondContact O-N 3.42Å
579	R	92.3	Very high	93.2	Very high	192 Å²	192	47.2 Å²	47.2	73%	0.725	23%	0.231	S	C	*	.	H	α-helix	trans	-70.2	-41.8	178.9	-63.6	-174.8	-177.3	-178.9	0.3	111.5	N577 F583	N577-R579 PolarHBondContact O-N 2.9Å; N577-R579 VanDerWaalsContact O-N 3.13Å; N577-R579 PolarHBondContact OD1-N 2.93Å; N577-R579 VanDerWaalsContact OD1-N 3.09Å; R579-F583 WeakPolarHBondContact O-CB 3.13Å; R579-F583 PolarHBondContact O-N 3.27Å
580	I	93.8	Very high	93.6	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-70.5	-40	-179.7	-54.9	179.5	0	0	0	109.7	N577 F583 A584 D609 L611 V634	N577-I580 HydrophobicContact CB-CB 4.27Å; N577-I580 HydrophobicContact CB-CD1 3.84Å; N577-I580 HydrophobicContact CB-CG1 3.93Å; N577-I580 PolarHBondContact O-N 2.78Å; N577-I580 VanDerWaalsContact O-N 3.11Å; I580-F583 PolarHBondContact O-N 3Å; I580-A584 WeakPolarHBondContact O-CB 3.47Å; I580-A584 PolarHBondContact O-N 2.98Å; I580-D609 HydrophobicContact CD1-CB 4.37Å; I580-D609 WeakPolarHBondContact CD1-O 3.28Å; I580-L611 HydrophobicContact CG2-CD1 3.7Å; I580-L611 HydrophobicContact CG2-CG 4.05Å; I580-V634 HydrophobicContact CG2-CG1 4.5Å
581	E	95.6	Very high	94	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.028	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-53.8	173.5	-178.7	-173.5	-171.2	0	0	111.4	N577 F583 A584 Y585 R700 V703	N577-E581 PolarHBondContact O-N 2.96Å; E581-F583 VanDerWaalsContact C-N 3.33Å; E581-F583 PolarHBondContact O-N 3.09Å; E581-A584 WeakPolarHBondContact O-CB 3.41Å; E581-A584 PolarHBondContact O-N 2.99Å; E581-Y585 HydrophobicContact CG-CD2 4.12Å; E581-Y585 HydrophobicContact CG-CE2 3.36Å; E581-Y585 WeakPolarHBondContact CG-OH 3.36Å; E581-Y585 PolarHBondContact O-N 2.82Å; E581-Y585 VanDerWaalsContact OE1-CE2 3.31Å; E581-Y585 WeakPolarHBondContact OE1-CE2 3.49Å; E581-Y585 PolarHBondContact OE1-OH 3.46Å; E581-R700 VanDerWaalsContact OE1-CB 3.31Å; E581-R700 WeakPolarHBondContact OE1-CB 3.48Å; E581-R700 IonicContact OE1-CZ 3.07Å; E581-R700 IonicContact OE1-NE 3.12Å; E581-R700 PolarHBondContact OE1-NE 2.9Å; E581-R700 VanDerWaalsContact OE1-NE 3.09Å; E581-R700 IonicContact OE1-NH2 3.83Å; E581-R700 IonicContact OE2-CZ 3.72Å; E581-R700 IonicContact OE2-NE 3.75Å; E581-R700 PolarHBondContact OE2-NE 2.62Å; E581-R700 IonicContact OE2-NH2 3.74Å; E581-R700 PolarHBondContact OE2-NH2 2.92Å; E581-V703 VanDerWaalsContact CD-CG2 3.41Å; E581-V703 HydrophobicContact CG-CG2 4.35Å; E581-V703 WeakPolarHBondContact OE1-CG2 3.34Å; E581-V703 VanDerWaalsContact OE2-CG2 3.31Å; E581-V703 WeakPolarHBondContact OE2-CG2 3.2Å
582	Q	95.4	Very high	94.4	Very high	64 Å²	64	39.3 Å²	39.3	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-62.8	-42.1	-179.6	-172.4	56.1	55.7	0	0	111.7	P578 A584 Y585 D586 S697	P578-Q582 WeakPolarHBondContact O-CB 3.39Å; P578-Q582 PolarHBondContact O-N 3.42Å; Q582-A584 VanDerWaalsContact C-N 3.26Å; Q582-A584 PolarHBondContact O-N 2.96Å; Q582-Y585 PolarHBondContact O-N 2.66Å; Q582-Y585 VanDerWaalsContact O-N 3.15Å; Q582-D586 PolarHBondContact NE2-OD1 3.47Å; Q582-D586 VanDerWaalsContact O-CG 3.25Å; Q582-D586 PolarHBondContact O-N 2.74Å; Q582-S697 PolarHBondContact NE2-OG 2.93Å; Q582-S697 PolarHBondContact OE1-OG 3.33Å
583	F	94.6	Very high	94.9	Very high	45 Å²	45	35.2 Å²	35.2	20%	0.197	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-33.3	176.6	-172.1	-114.6	0	0	0	112.8	L72 L75 R579 I580 E581 Q587 T664	L72-F583 HydrophobicContact CD2-CZ 4.44Å; L75-F583 HydrophobicContact CD2-CD2 4.46Å; L75-F583 HydrophobicContact CD2-CE1 4.3Å; L75-F583 HydrophobicContact CD2-CE2 3.39Å; L75-F583 HydrophobicContact CD2-CZ 3.29Å; L75-F583 HydrophobicContact CG-CE2 4.49Å; R579-F583 WeakPolarHBondContact O-CB 3.13Å; R579-F583 PolarHBondContact O-N 3.27Å; I580-F583 PolarHBondContact O-N 3Å; E581-F583 VanDerWaalsContact C-N 3.33Å; E581-F583 PolarHBondContact O-N 3.09Å; F583-Q587 VanDerWaalsContact O-CG 3.3Å; F583-Q587 WeakPolarHBondContact O-CG 3.26Å; F583-Q587 PolarHBondContact O-N 2.97Å; F583-Q587 PolarHBondContact O-NE2 3.48Å; F583-T664 HydrophobicContact CZ-CG2 4.25Å
584	A	96.9	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-44.2	173	0	0	0	0	0	111.6	I580 E581 Q582 D586 Q587 M588 L611 L702	I580-A584 WeakPolarHBondContact O-CB 3.47Å; I580-A584 PolarHBondContact O-N 2.98Å; E581-A584 WeakPolarHBondContact O-CB 3.41Å; E581-A584 PolarHBondContact O-N 2.99Å; Q582-A584 VanDerWaalsContact C-N 3.26Å; Q582-A584 PolarHBondContact O-N 2.96Å; A584-D586 PolarHBondContact O-N 2.81Å; A584-Q587 PolarHBondContact O-N 3.48Å; A584-M588 WeakPolarHBondContact O-CB 3.39Å; A584-M588 VanDerWaalsContact O-CG 3.22Å; A584-M588 WeakPolarHBondContact O-CG 3.45Å; A584-M588 PolarHBondContact O-N 3.23Å; A584-L611 HydrophobicContact CB-CD1 3.59Å; A584-L702 HydrophobicContact CB-CD1 4.01Å
585	Y	98.1	Very high	95.7	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-41.3	177.9	-64.1	-32.6	0	0	0	113.1	E581 Q582 Q587 M588 A589 L696 R700 P701 L702	E581-Y585 HydrophobicContact CG-CD2 4.12Å; E581-Y585 HydrophobicContact CG-CE2 3.36Å; E581-Y585 WeakPolarHBondContact CG-OH 3.36Å; E581-Y585 PolarHBondContact O-N 2.82Å; E581-Y585 VanDerWaalsContact OE1-CE2 3.31Å; E581-Y585 WeakPolarHBondContact OE1-CE2 3.49Å; E581-Y585 PolarHBondContact OE1-OH 3.46Å; Q582-Y585 PolarHBondContact O-N 2.66Å; Q582-Y585 VanDerWaalsContact O-N 3.15Å; Y585-Q587 VanDerWaalsContact C-N 3.28Å; Y585-Q587 PolarHBondContact O-N 3.45Å; Y585-M588 HydrophobicContact CD1-SD 4.06Å; Y585-M588 PolarHBondContact O-N 3.32Å; Y585-A589 VanDerWaalsContact O-CB 3.29Å; Y585-A589 WeakPolarHBondContact O-CB 3.22Å; Y585-A589 PolarHBondContact O-N 2.87Å; Y585-L696 HydrophobicContact CD1-CB 3.67Å; Y585-L696 HydrophobicContact CD1-CD1 4.11Å; Y585-L696 HydrophobicContact CD1-CG 4.32Å; Y585-L696 HydrophobicContact CD2-CB 4.34Å; Y585-L696 HydrophobicContact CE1-CB 4.16Å; Y585-L696 HydrophobicContact CG-CB 3.79Å; Y585-R700 VanDerWaalsContact OH-CA 3.24Å; Y585-R700 WeakPolarHBondContact OH-CA 3.21Å; Y585-P701 HydrophobicContact CE1-CG 3.92Å; Y585-P701 WeakPolarHBondContact OH-CD 3.37Å; Y585-L702 HydrophobicContact CD1-CD1 3.96Å; Y585-L702 HydrophobicContact CE1-CB 4.25Å; Y585-L702 HydrophobicContact CE1-CD1 3.38Å; Y585-L702 HydrophobicContact CE1-CG 3.68Å; Y585-L702 WeakPolarHBondContact OH-CB 3.4Å; Y585-L702 PolarHBondContact OH-N 2.93Å
586	D	97.3	Very high	96.1	Very high	36 Å²	36	25 Å²	25	19%	0.193	12%	0.119	C	C	.	.	H	α-helix	trans	-60.3	-41.7	177.4	-64.1	-22.8	0	0	0	110.9	L79 Q582 A584 L590 Q693	L79-D586 HydrophobicContact CD2-CB 3.88Å; Q582-D586 PolarHBondContact NE2-OD1 3.47Å; Q582-D586 VanDerWaalsContact O-CG 3.25Å; Q582-D586 PolarHBondContact O-N 2.74Å; A584-D586 PolarHBondContact O-N 2.81Å; D586-L590 WeakPolarHBondContact O-CG 3.48Å; D586-L590 PolarHBondContact O-N 3.5Å; D586-L590 VanDerWaalsContact O-N 3.1Å; D586-Q693 WeakPolarHBondContact OD1-CG 3.1Å; D586-Q693 PolarHBondContact OD1-NE2 3.34Å
587	Q	97.3	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.6	-42.3	177.7	-74.3	-180	88.7	0	0	113.6	L75 F583 A584 Y585 A589 L590 Y591 T664 L665 I666	L75-Q587 HydrophobicContact CD1-CG 3.95Å; L75-Q587 HydrophobicContact CD2-CG 3.91Å; F583-Q587 VanDerWaalsContact O-CG 3.3Å; F583-Q587 WeakPolarHBondContact O-CG 3.26Å; F583-Q587 PolarHBondContact O-N 2.97Å; F583-Q587 PolarHBondContact O-NE2 3.48Å; A584-Q587 PolarHBondContact O-N 3.48Å; Y585-Q587 VanDerWaalsContact C-N 3.28Å; Y585-Q587 PolarHBondContact O-N 3.45Å; Q587-A589 VanDerWaalsContact C-N 3.27Å; Q587-A589 PolarHBondContact O-N 3.4Å; Q587-L590 PolarHBondContact O-N 3.11Å; Q587-Y591 PolarHBondContact O-N 2.94Å; Q587-T664 PolarHBondContact OE1-OG1 3Å; Q587-L665 HydrophobicContact CB-CB 4.44Å; Q587-I666 HydrophobicContact CB-CG2 3.71Å; Q587-I666 HydrophobicContact CG-CG2 3.88Å; Q587-I666 VanDerWaalsContact OE1-N 3.16Å
588	M	98.3	Very high	96.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-43.4	173.7	-72.2	166.8	62.8	0	0	110.5	W497 A584 Y585 Y591 A592 F597 L613 L665 L696 L702	W497-M588 HydrophobicContact CH2-CE 3.55Å; W497-M588 HydrophobicContact CZ3-CE 3.66Å; A584-M588 WeakPolarHBondContact O-CB 3.39Å; A584-M588 VanDerWaalsContact O-CG 3.22Å; A584-M588 WeakPolarHBondContact O-CG 3.45Å; A584-M588 PolarHBondContact O-N 3.23Å; Y585-M588 HydrophobicContact CD1-SD 4.06Å; Y585-M588 PolarHBondContact O-N 3.32Å; M588-Y591 CarbonylContact O-C 3.55Å; M588-Y591 PolarHBondContact O-N 3.15Å; M588-A592 WeakPolarHBondContact O-CB 3.43Å; M588-A592 PolarHBondContact O-N 3.05Å; M588-F597 HydrophobicContact CB-CD2 4.21Å; M588-F597 HydrophobicContact CB-CE2 4.05Å; M588-F597 HydrophobicContact CB-CZ 4.22Å; M588-F597 HydrophobicContact CE-CB 3.87Å; M588-F597 HydrophobicContact CE-CD2 4.45Å; M588-F597 HydrophobicContact CE-CG 4.06Å; M588-F597 HydrophobicContact CG-CD1 4.01Å; M588-F597 HydrophobicContact CG-CD2 4.33Å; M588-F597 HydrophobicContact CG-CE1 4.01Å; M588-F597 HydrophobicContact CG-CE2 4.34Å; M588-F597 HydrophobicContact CG-CG 4.16Å; M588-F597 HydrophobicContact CG-CZ 4.17Å; M588-F597 WeakPolarHBondContact O-CE2 3.39Å; M588-L613 HydrophobicContact SD-CD2 4.32Å; M588-L665 HydrophobicContact CG-CD2 4.24Å; M588-L696 HydrophobicContact CB-CD1 4Å; M588-L696 HydrophobicContact CE-CD1 3.89Å; M588-L696 HydrophobicContact CE-CD2 4.07Å; M588-L702 HydrophobicContact SD-CD1 4.42Å
589	A	98.1	Very high	96.7	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.008	9%	0.094	C	C	.	.	H	α-helix	trans	-65.7	-40.8	179.4	0	0	0	0	0	112.9	Y585 Q587 Y591 A592 V689 V692 Q693	Y585-A589 VanDerWaalsContact O-CB 3.29Å; Y585-A589 WeakPolarHBondContact O-CB 3.22Å; Y585-A589 PolarHBondContact O-N 2.87Å; Q587-A589 VanDerWaalsContact C-N 3.27Å; Q587-A589 PolarHBondContact O-N 3.4Å; A589-Y591 PolarHBondContact O-N 3.31Å; A589-A592 PolarHBondContact O-N 3.14Å; A589-V689 HydrophobicContact CB-CG1 4.01Å; A589-V692 HydrophobicContact CB-CB 4.12Å; A589-V692 HydrophobicContact CB-CG1 3.96Å; A589-Q693 HydrophobicContact CB-CB 3.63Å; A589-Q693 HydrophobicContact CB-CG 4.39Å
590	L	97.3	Very high	96.9	Very high	10 Å²	10	13.2 Å²	13.2	5%	0.052	6%	0.061	C	C	.	.	H	α-helix	trans	-57.3	-38.3	174.8	-77.1	170.9	0	0	0	111.8	L75 L78 L79 N82 D586 Q587 V681 V689	L75-L590 HydrophobicContact CD1-CD1 3.62Å; L78-L590 HydrophobicContact CB-CD1 4.39Å; L79-L590 HydrophobicContact CD2-CD1 3.7Å; L79-L590 HydrophobicContact CD2-CG 4.25Å; L79-L590 HydrophobicContact CG-CD1 4.24Å; N82-L590 VanDerWaalsContact ND2-CD2 3.29Å; N82-L590 WeakPolarHBondContact ND2-CD2 3.38Å; D586-L590 WeakPolarHBondContact O-CG 3.48Å; D586-L590 PolarHBondContact O-N 3.5Å; D586-L590 VanDerWaalsContact O-N 3.1Å; Q587-L590 PolarHBondContact O-N 3.11Å; L590-V681 WeakPolarHBondContact O-CG1 3.5Å; L590-V689 HydrophobicContact CD2-CG1 4.1Å; L590-V689 HydrophobicContact CG-CG1 4.41Å
591	Y	97.1	Very high	97	Very high	8 Å²	8	16.5 Å²	16.5	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-98.5	-0.6	-174	-83.7	-116.7	0	0	0	114	Q587 M588 A589 S593 A594 C595 I666 L669 Q670 M673 V681	Q587-Y591 PolarHBondContact O-N 2.94Å; M588-Y591 CarbonylContact O-C 3.55Å; M588-Y591 PolarHBondContact O-N 3.15Å; A589-Y591 PolarHBondContact O-N 3.31Å; Y591-S593 PolarHBondContact O-N 2.89Å; Y591-A594 PolarHBondContact O-N 3.14Å; Y591-C595 WeakPolarHBondContact O-CB 3.04Å; Y591-C595 PolarHBondContact O-N 3.18Å; Y591-I666 HydrophobicContact CD2-CB 3.88Å; Y591-I666 HydrophobicContact CD2-CG2 3.31Å; Y591-I666 HydrophobicContact CE1-CB 4.32Å; Y591-I666 HydrophobicContact CE2-CB 3.39Å; Y591-I666 HydrophobicContact CE2-CD1 3.97Å; Y591-I666 HydrophobicContact CE2-CG1 4.28Å; Y591-I666 HydrophobicContact CE2-CG2 3.32Å; Y591-I666 HydrophobicContact CG-CG2 4.09Å; Y591-L669 HydrophobicContact CD1-CD1 4.34Å; Y591-Q670 HydrophobicContact CE1-CG 4.12Å; Y591-Q670 PolarHBondContact OH-NE2 3.38Å; Y591-M673 HydrophobicContact CD1-CE 4.11Å; Y591-M673 HydrophobicContact CD1-SD 3.66Å; Y591-M673 HydrophobicContact CE1-CE 4.2Å; Y591-M673 HydrophobicContact CE1-SD 3.57Å; Y591-M673 VanDerWaalsContact CE1-SD 3.57Å; Y591-V681 HydrophobicContact CD1-CG1 4.27Å; Y591-V681 HydrophobicContact CD1-CG2 3.86Å; Y591-V681 HydrophobicContact CD2-CG1 3.79Å; Y591-V681 HydrophobicContact CE1-CG1 4.17Å; Y591-V681 HydrophobicContact CE1-CG2 4.17Å; Y591-V681 HydrophobicContact CE2-CG1 3.65Å; Y591-V681 HydrophobicContact CG-CG1 4.07Å; Y591-V681 HydrophobicContact CG-CG2 4.12Å
592	A	97.4	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.1	-173.9	0	0	0	0	0	115	L499 P501 M588 A589 F688 V692	L499-A592 HydrophobicContact CD2-CB 4.09Å; P501-A592 WeakPolarHBondContact CB-O 3.44Å; M588-A592 WeakPolarHBondContact O-CB 3.43Å; M588-A592 PolarHBondContact O-N 3.05Å; A589-A592 PolarHBondContact O-N 3.14Å; A592-F688 HydrophobicContact CB-CE1 4.04Å; A592-F688 HydrophobicContact CB-CZ 4.09Å; A592-V692 HydrophobicContact CB-CB 4.48Å; A592-V692 HydrophobicContact CB-CG1 3.92Å; A592-V692 HydrophobicContact CB-CG2 4.13Å
593	S	96.3	Very high	97	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.007	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-24.8	175.3	58	0	0	0	0	113.5	P501 Q504 Y591 L680 S684	P501-S593 VanDerWaalsContact CB-O 3.28Å; P501-S593 WeakPolarHBondContact CB-O 3.28Å; Q504-S593 WeakPolarHBondContact O-CB 3.33Å; Y591-S593 PolarHBondContact O-N 2.89Å; S593-L680 WeakPolarHBondContact O-CD2 3.29Å; S593-S684 WeakPolarHBondContact CB-OG 3.33Å; S593-S684 PolarHBondContact OG-OG 2.97Å
594	A	96.6	Very high	96.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-13.6	-176.4	0	0	0	0	0	114	Y591 E617 H618 L619 M673 L680 V681	Y591-A594 PolarHBondContact O-N 3.14Å; A594-E617 CarbonylContact O-C 3.55Å; A594-E617 WeakPolarHBondContact O-CA 3.28Å; A594-H618 CarbonylContact O-C 3.45Å; A594-H618 PolarHBondContact O-N 3.35Å; A594-L619 HydrophobicContact CB-CD2 3.94Å; A594-M673 HydrophobicContact CB-CE 3.86Å; A594-L680 HydrophobicContact CB-CB 4.33Å; A594-L680 HydrophobicContact CB-CD2 3.99Å; A594-V681 HydrophobicContact CB-CG2 3.52Å
595	C	97.3	Very high	96.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.2	-178.8	-66.1	0	0	0	0	111.5	P501 Y591 F597 C616 M673	P501-C595 WeakPolarHBondContact CD-O 3.47Å; Y591-C595 WeakPolarHBondContact O-CB 3.04Å; Y591-C595 PolarHBondContact O-N 3.18Å; C595-F597 HydrophobicContact CB-CE1 4.42Å; C595-F597 HydrophobicContact CB-CE2 3.83Å; C595-F597 HydrophobicContact CB-CZ 3.7Å; C595-C616 CarbonylContact C-O 3.58Å; C595-C616 WeakPolarHBondContact CA-O 3.42Å; C595-M673 VanDerWaalsContact SG-SD 3.67Å
596	A	98.1	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	147.6	165.7	0	0	0	0	0	110.1	L499 R500 G615 C616 H618 V624 W629	L499-A596 CarbonylContact O-C 3.58Å; L499-A596 VanDerWaalsContact O-CA 3.24Å; L499-A596 WeakPolarHBondContact O-CA 3.23Å; R500-A596 HydrophobicContact CB-CB 3.92Å; A596-G615 VanDerWaalsContact O-CA 3.31Å; A596-G615 WeakPolarHBondContact O-CA 3.25Å; A596-C616 PolarHBondContact N-O 2.74Å; A596-C616 PolarHBondContact O-N 2.89Å; A596-H618 HydrophobicContact CB-CB 3.93Å; A596-V624 HydrophobicContact CB-CG2 3.58Å; A596-W629 HydrophobicContact CB-CH2 3.69Å; A596-W629 HydrophobicContact CB-CZ3 4.04Å
597	F	98.5	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.8	178.8	-58.2	-79.1	0	0	0	110.3	W497 E498 L499 M588 C595 L613 Q614 L669	W497-F597 HydrophobicContact CH2-CB 4.21Å; W497-F597 HydrophobicContact CZ3-CB 3.86Å; E498-F597 CarbonylContact C-O 3.57Å; E498-F597 WeakPolarHBondContact CA-O 3.49Å; L499-F597 HydrophobicContact CB-CB 4.47Å; L499-F597 HydrophobicContact CD2-CD2 4.11Å; L499-F597 PolarHBondContact N-O 3.03Å; L499-F597 PolarHBondContact O-N 3.42Å; M588-F597 HydrophobicContact CB-CD2 4.21Å; M588-F597 HydrophobicContact CB-CE2 4.05Å; M588-F597 HydrophobicContact CB-CZ 4.22Å; M588-F597 HydrophobicContact CE-CB 3.87Å; M588-F597 HydrophobicContact CE-CD2 4.45Å; M588-F597 HydrophobicContact CE-CG 4.06Å; M588-F597 HydrophobicContact CG-CD1 4.01Å; M588-F597 HydrophobicContact CG-CD2 4.33Å; M588-F597 HydrophobicContact CG-CE1 4.01Å; M588-F597 HydrophobicContact CG-CE2 4.34Å; M588-F597 HydrophobicContact CG-CG 4.16Å; M588-F597 HydrophobicContact CG-CZ 4.17Å; M588-F597 WeakPolarHBondContact O-CE2 3.39Å; C595-F597 HydrophobicContact CB-CE1 4.42Å; C595-F597 HydrophobicContact CB-CE2 3.83Å; C595-F597 HydrophobicContact CB-CZ 3.7Å; F597-L613 HydrophobicContact CD1-CD1 3.86Å; F597-Q614 VanDerWaalsContact CA-O 3.29Å; F597-Q614 WeakPolarHBondContact CA-O 3.39Å; F597-L669 HydrophobicContact CE1-CD1 3.8Å; F597-L669 HydrophobicContact CE1-CD2 4.45Å; F597-L669 HydrophobicContact CZ-CD1 3.91Å
598	S	98.1	Very high	95.9	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.063	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	158.5	177.2	172.5	0	0	0	0	110.9	W497 Q614	W497-S598 WeakPolarHBondContact O-CA 3.4Å; W497-S598 PolarHBondContact O-OG 3.08Å; S598-Q614 PolarHBondContact N-O 3.38Å; S598-Q614 PolarHBondContact O-N 3.04Å; S598-Q614 PolarHBondContact OG-OE1 3.11Å
599	W	96.7	Very high	95.7	Very high	80 Å²	80	28.6 Å²	28.6	30%	0.303	16%	0.162	S	C	.	.			trans	-57.2	154.8	171.7	78.7	-68.7	0	0	0	111.8	G496 W497 K601 Q614	G496-W599 VanDerWaalsContact CA-CD1 3.5Å; G496-W599 VanDerWaalsContact CA-CG 3.5Å; W497-W599 VanDerWaalsContact CD1-CB 3.46Å; W497-W599 HydrophobicContact CD2-CB 4.21Å; W497-W599 HydrophobicContact CG-CB 4.04Å; W497-W599 HydrophobicContact CZ2-CB 4.42Å; W497-W599 PolarHBondContact O-N 2.85Å; W497-W599 VanDerWaalsContact O-N 3.12Å; W599-K601 HydrophobicContact CH2-CB 4.4Å; W599-K601 HydrophobicContact CZ3-CB 4.04Å; W599-Q614 WeakPolarHBondContact O-CG 3.18Å; W599-Q614 PolarHBondContact O-OE1 2.92Å
600	S	96.8	Very high	95.5	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	17%	0.173	C	C	.	.			trans	-130.1	136.3	172.4	175.7	0	0	0	0	109.9	W602 N603 E646	S600-W602 PolarHBondContact O-N 3.41Å; S600-W602 VanDerWaalsContact O-N 3.15Å; S600-W602 PolarHBondContact OG-N 3.19Å; S600-N603 WeakPolarHBondContact O-CB 3.43Å; S600-N603 PolarHBondContact O-N 3.43Å; S600-E646 WeakPolarHBondContact CA-OE1 3.25Å; S600-E646 WeakPolarHBondContact CB-OE1 3.2Å; S600-E646 PolarHBondContact OG-OE1 2.96Å
601	K	94.4	Very high	95.5	Very high	83 Å²	83	30.1 Å²	30.1	36%	0.361	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-62.5	-23.3	177.7	78.7	-170.4	-175	177	0	112.5	W599 N603 E646 S648	W599-K601 HydrophobicContact CH2-CB 4.4Å; W599-K601 HydrophobicContact CZ3-CB 4.04Å; K601-N603 VanDerWaalsContact C-N 3.29Å; K601-N603 PolarHBondContact O-N 2.91Å; K601-E646 WeakPolarHBondContact CE-O 3.45Å; K601-E646 VanDerWaalsContact CG-OE2 3.27Å; K601-E646 WeakPolarHBondContact CG-OE2 3.41Å; K601-E646 PolarHBondContact N-OE2 3.42Å; K601-E646 VanDerWaalsContact N-OE2 3.1Å; K601-E646 PolarHBondContact NZ-O 3.44Å; K601-S648 PolarHBondContact NZ-O 3.42Å
602	W	96.4	Very high	95.5	Very high	19 Å²	19	29.8 Å²	29.8	7%	0.072	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-78.3	-11.7	-177.9	-56.8	119.6	0	0	0	113.8	S600 A604 T605 C606 V612 I644 T645 S648 F651	S600-W602 PolarHBondContact O-N 3.41Å; S600-W602 VanDerWaalsContact O-N 3.15Å; S600-W602 PolarHBondContact OG-N 3.19Å; W602-A604 PolarHBondContact O-N 3.34Å; W602-T605 PolarHBondContact O-N 2.89Å; W602-T605 PolarHBondContact O-OG1 3.08Å; W602-C606 PolarHBondContact O-N 3.41Å; W602-V612 HydrophobicContact CB-CB 4.28Å; W602-V612 HydrophobicContact CB-CG1 3.9Å; W602-I644 HydrophobicContact CD2-CD1 4.21Å; W602-I644 HydrophobicContact CG-CD1 4.02Å; W602-T645 PolarHBondContact NE1-O 3.4Å; W602-S648 WeakPolarHBondContact CH2-O 3.47Å; W602-S648 VanDerWaalsContact CZ2-O 3.23Å; W602-S648 WeakPolarHBondContact CZ2-O 3.49Å; W602-F651 HydrophobicContact CB-CD2 3.65Å; W602-F651 HydrophobicContact CB-CE2 3.77Å; W602-F651 HydrophobicContact CD2-CB 4.34Å; W602-F651 AromaticContact CD2-CD2 3.86Å; W602-F651 HydrophobicContact CD2-CD2 3.86Å; W602-F651 HydrophobicContact CE3-CB 3.56Å; W602-F651 AromaticContact CE3-CD2 3.84Å; W602-F651 HydrophobicContact CE3-CD2 3.84Å; W602-F651 HydrophobicContact CE3-CG 4.09Å; W602-F651 AromaticContact CG-CD2 3.83Å; W602-F651 HydrophobicContact CG-CD2 3.83Å; W602-F651 HydrophobicContact CG-CE2 4.33Å; W602-F651 HydrophobicContact CZ3-CB 3.73Å; W602-F651 VanDerWaalsContact CZ3-N 3.29Å
603	N	95.9	Very high	95.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-61.6	-32.4	177.6	-168.1	43.2	0	0	0	111.9	K576 S600 K601 T605 C606 L611 V612 L702	K576-N603 WeakPolarHBondContact CE-O 3.19Å; K576-N603 WeakPolarHBondContact CE-OD1 3.41Å; K576-N603 PolarHBondContact NZ-O 2.98Å; K576-N603 PolarHBondContact NZ-OD1 3.24Å; S600-N603 WeakPolarHBondContact O-CB 3.43Å; S600-N603 PolarHBondContact O-N 3.43Å; K601-N603 VanDerWaalsContact C-N 3.29Å; K601-N603 PolarHBondContact O-N 2.91Å; N603-T605 PolarHBondContact O-N 3.43Å; N603-C606 PolarHBondContact O-SG 3.03Å; N603-L611 WeakPolarHBondContact OD1-CA 3.5Å; N603-V612 HydrophobicContact CB-CB 4.46Å; N603-V612 VanDerWaalsContact CB-O 3.29Å; N603-V612 WeakPolarHBondContact CB-O 3.36Å; N603-V612 PolarHBondContact OD1-N 3.22Å; N603-V612 PolarHBondContact OD1-O 3.48Å; N603-L702 PolarHBondContact ND2-O 2.91Å
604	A	92.3	Very high	95.6	Very high	71 Å²	71	30.8 Å²	30.8	59%	0.587	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-67.2	-23.6	175.5	0	0	0	0	0	113	W602	W602-A604 PolarHBondContact O-N 3.34Å
605	T	92.4	Very high	95.6	Very high	78 Å²	78	30.8 Å²	30.8	48%	0.479	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-10.1	-173.2	52.2	0	0	0	0	114.8	W602 N603 G607	W602-T605 PolarHBondContact O-N 2.89Å; W602-T605 PolarHBondContact O-OG1 3.08Å; N603-T605 PolarHBondContact O-N 3.43Å; T605-G607 PolarHBondContact O-N 3.49Å
606	C	91.6	Very high	95.6	Very high	10 Å²	10	31 Å²	31	7%	0.068	18%	0.175	C	C	.	.	S	Bend	trans	-87.3	5.1	-171.6	65.8	0	0	0	0	115.7	K576 W602 N603 N610 V612 F633 F651	K576-C606 PolarHBondContact NZ-SG 3.4Å; W602-C606 PolarHBondContact O-N 3.41Å; N603-C606 PolarHBondContact O-SG 3.03Å; C606-N610 HydrophobicContact CB-CB 4.23Å; C606-N610 WeakPolarHBondContact O-CB 3.47Å; C606-N610 PolarHBondContact O-ND2 3.46Å; C606-N610 PolarHBondContact SG-O 3.47Å; C606-V612 HydrophobicContact CB-CG2 3.64Å; C606-F633 HydrophobicContact CB-CE2 3.95Å; C606-F651 HydrophobicContact CB-CE1 4.16Å; C606-F651 HydrophobicContact CB-CZ 3.76Å
607	G	91.4	Very high	95.5	Very high	41 Å²	41	33.6 Å²	33.6	42%	0.423	19%	0.187	S	C	.	.			trans	82.6	-179.2	-179.5	0	0	0	0	0	114	K576 T605	K576-G607 PolarHBondContact NZ-O 3.14Å; T605-G607 PolarHBondContact O-N 3.49Å
608	E	93	Very high	95.4	Very high	95 Å²	95	34.2 Å²	34.2	44%	0.444	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-30.1	-173.4	-57.1	-169.1	177.2	0	0	113.5	K575 K576 N577	K575-E608 HydrophobicContact CB-CG 4.43Å; K575-E608 WeakPolarHBondContact CD-OE1 3.15Å; K575-E608 WeakPolarHBondContact CE-OE2 2.93Å; K575-E608 HydrophobicContact CG-CG 4.33Å; K575-E608 IonicContact NZ-OE1 3.94Å; K575-E608 PolarHBondContact NZ-OE1 3.3Å; K575-E608 IonicContact NZ-OE2 2.65Å; K575-E608 PolarHBondContact NZ-OE2 2.98Å; K575-E608 WeakPolarHBondContact O-CA 3.34Å; K576-E608 CarbonylContact C-O 3.36Å; K576-E608 WeakPolarHBondContact CA-O 3.47Å; N577-E608 PolarHBondContact N-O 3.35Å
609	D	93.2	Very high	95.2	Very high	88 Å²	88	37.8 Å²	37.8	47%	0.471	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	9.4	-176.3	-68	-50	0	0	0	114	N577 I580	N577-D609 PolarHBondContact ND2-OD1 3.21Å; I580-D609 HydrophobicContact CD1-CB 4.37Å; I580-D609 WeakPolarHBondContact CD1-O 3.28Å
610	N	94.6	Very high	94.7	Very high	43 Å²	43	41.6 Å²	41.6	23%	0.23	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.4	178.3	-48.1	-71.8	0	0	0	111.1	K576 C606 F633 V634	K576-N610 WeakPolarHBondContact CD-O 3.14Å; K576-N610 PolarHBondContact NZ-O 3.32Å; C606-N610 HydrophobicContact CB-CB 4.23Å; C606-N610 WeakPolarHBondContact O-CB 3.47Å; C606-N610 PolarHBondContact O-ND2 3.46Å; C606-N610 PolarHBondContact SG-O 3.47Å; N610-F633 HydrophobicContact CB-CE1 3.99Å; N610-F633 HydrophobicContact CB-CE2 3.86Å; N610-F633 HydrophobicContact CB-CZ 3.46Å; N610-F633 VanDerWaalsContact CB-CZ 3.46Å; N610-F633 WeakPolarHBondContact OD1-CE1 3.24Å; N610-F633 WeakPolarHBondContact OD1-CZ 3.31Å; N610-V634 CarbonylContact C-O 3.54Å; N610-V634 WeakPolarHBondContact CA-O 3.46Å
611	L	97.2	Very high	94.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.2	174.2	-55	165.6	0	0	0	108.9	K576 I580 A584 N603 V634 L702	K576-L611 HydrophobicContact CB-CD2 4.09Å; K576-L611 HydrophobicContact CD-CD2 3.71Å; K576-L611 HydrophobicContact CG-CD2 3.61Å; I580-L611 HydrophobicContact CG2-CD1 3.7Å; I580-L611 HydrophobicContact CG2-CG 4.05Å; A584-L611 HydrophobicContact CB-CD1 3.59Å; N603-L611 WeakPolarHBondContact OD1-CA 3.5Å; L611-V634 HydrophobicContact CB-CB 4.24Å; L611-V634 PolarHBondContact N-O 3.02Å; L611-V634 PolarHBondContact O-N 3.12Å; L611-L702 HydrophobicContact CD1-CD1 4.05Å; L611-L702 HydrophobicContact CD2-CB 4.23Å; L611-L702 HydrophobicContact CD2-CD1 4.45Å
612	V	97.4	Very high	93.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.2	167.6	-177.8	0	0	0	0	108.5	W602 N603 C606 I631 Y632 F633 F651	W602-V612 HydrophobicContact CB-CB 4.28Å; W602-V612 HydrophobicContact CB-CG1 3.9Å; N603-V612 HydrophobicContact CB-CB 4.46Å; N603-V612 VanDerWaalsContact CB-O 3.29Å; N603-V612 WeakPolarHBondContact CB-O 3.36Å; N603-V612 PolarHBondContact OD1-N 3.22Å; N603-V612 PolarHBondContact OD1-O 3.48Å; C606-V612 HydrophobicContact CB-CG2 3.64Å; V612-I631 HydrophobicContact CG1-CG2 3.36Å; V612-Y632 WeakPolarHBondContact CA-O 3.42Å; V612-F633 HydrophobicContact CG2-CD2 3.73Å; V612-F633 HydrophobicContact CG2-CE2 4.37Å; V612-F651 HydrophobicContact CG2-CE2 4.09Å; V612-F651 HydrophobicContact CG2-CZ 4.18Å
613	L	97.6	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	158.8	179.7	65.1	96.6	0	0	0	110.4	M588 F597 Y632 L665 L702	M588-L613 HydrophobicContact SD-CD2 4.32Å; F597-L613 HydrophobicContact CD1-CD1 3.86Å; L613-Y632 PolarHBondContact N-O 2.89Å; L613-Y632 VanDerWaalsContact N-O 3.14Å; L613-Y632 PolarHBondContact O-N 3.42Å; L613-L665 HydrophobicContact CD2-CD2 4.34Å; L613-L702 HydrophobicContact CB-CD2 4.17Å; L613-L702 HydrophobicContact CD2-CD2 4.17Å
614	Q	97.9	Very high	93.7	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.103	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	141.1	173.4	-58.4	-174.9	-82.5	0	0	110.3	F597 S598 W599 W629 N630 E646	F597-Q614 VanDerWaalsContact CA-O 3.29Å; F597-Q614 WeakPolarHBondContact CA-O 3.39Å; S598-Q614 PolarHBondContact N-O 3.38Å; S598-Q614 PolarHBondContact O-N 3.04Å; S598-Q614 PolarHBondContact OG-OE1 3.11Å; W599-Q614 WeakPolarHBondContact O-CG 3.18Å; W599-Q614 PolarHBondContact O-OE1 2.92Å; Q614-W629 HydrophobicContact CB-CD2 4.27Å; Q614-W629 HydrophobicContact CB-CE3 3.67Å; Q614-W629 HydrophobicContact CB-CZ3 4.21Å; Q614-N630 CarbonylContact C-O 3.54Å; Q614-N630 VanDerWaalsContact CA-O 3.25Å; Q614-N630 WeakPolarHBondContact CA-O 3.46Å; Q614-E646 HydrophobicContact CG-CG 4.28Å; Q614-E646 VanDerWaalsContact NE2-CG 3.31Å
615	G	97.4	Very high	93.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	150.3	176.4	0	0	0	0	0	112.3	A596 N630 Y632	A596-G615 VanDerWaalsContact O-CA 3.31Å; A596-G615 WeakPolarHBondContact O-CA 3.25Å; G615-N630 PolarHBondContact N-O 2.88Å; G615-N630 PolarHBondContact O-N 2.95Å; G615-Y632 WeakPolarHBondContact O-CE2 3.24Å
616	C	96.6	Very high	93.7	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.034	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	160.2	168.3	71.7	0	0	0	0	111.3	C595 A596 V624 S628	C595-C616 CarbonylContact C-O 3.58Å; C595-C616 WeakPolarHBondContact CA-O 3.42Å; A596-C616 PolarHBondContact N-O 2.74Å; A596-C616 PolarHBondContact O-N 2.89Å; C616-V624 VanDerWaalsContact SG-CG1 3.54Å; C616-S628 WeakPolarHBondContact CB-O 3.37Å
617	E	96.8	Very high	93.6	Very high	55 Å²	55	58.6 Å²	58.6	26%	0.257	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.8	163.4	-173.4	-177.9	-118.6	0	0	109.8	A594 L619 M673 S674 G677	A594-E617 CarbonylContact O-C 3.55Å; A594-E617 WeakPolarHBondContact O-CA 3.28Å; E617-L619 HydrophobicContact CG-CD2 4.12Å; E617-L619 HydrophobicContact CG-CG 4.12Å; E617-M673 HydrophobicContact CB-CG 4.32Å; E617-S674 VanDerWaalsContact CD-OG 3.31Å; E617-S674 WeakPolarHBondContact OE1-CB 3.43Å; E617-S674 PolarHBondContact OE1-N 2.95Å; E617-S674 PolarHBondContact OE1-OG 2.8Å; E617-S674 PolarHBondContact OE2-OG 3.07Å; E617-G677 WeakPolarHBondContact OE1-CA 3.41Å
618	H	96.1	Very high	93.7	Very high	13 Å²	13	59 Å²	59	6%	0.06	33%	0.326	C	S	.	.			trans	-147.5	108.8	175.1	-170.3	58.5	0	0	0	110	P501 A594 A596 K620 G622	P501-H618 HydrophobicContact CG-CB 4.24Å; P501-H618 WeakPolarHBondContact CG-O 3.4Å; A594-H618 CarbonylContact O-C 3.45Å; A594-H618 PolarHBondContact O-N 3.35Å; A596-H618 HydrophobicContact CB-CB 3.93Å; H618-K620 PolarHBondContact CD2-O 3.32Å; H618-K620 PolarHBondContact CE1-O 3.05Å; H618-K620 PolarHBondContact NE2-O 3.41Å; H618-G622 PolarHBondContact NE2-O 3.41Å
619	L	92.3	Very high	93.9	Very high	84 Å²	84	56.2 Å²	56.2	44%	0.44	31%	0.311	S	S	.	.			trans	-102.6	-2.2	-177.5	-53.8	-178.9	0	0	0	113.1	A594 E617 D676 L680	A594-L619 HydrophobicContact CB-CD2 3.94Å; E617-L619 HydrophobicContact CG-CD2 4.12Å; E617-L619 HydrophobicContact CG-CG 4.12Å; L619-D676 HydrophobicContact CD1-CB 4.34Å; L619-L680 HydrophobicContact CD2-CD2 4.01Å
620	K	87.9	Confident	94	Very high	159 Å²	159	54.2 Å²	54.2	69%	0.691	30%	0.301	S	S	*	.	S	Bend	trans	-101.9	143.3	-174.6	-63	176.1	-175.9	169.8	0	110.1	H618 G622	H618-K620 PolarHBondContact CD2-O 3.32Å; H618-K620 PolarHBondContact CE1-O 3.05Å; H618-K620 PolarHBondContact NE2-O 3.41Å; K620-G622 PolarHBondContact O-N 3Å; K620-G622 VanDerWaalsContact O-N 3.08Å
621	A	84	Confident	94.1	Very high	61 Å²	61	52.2 Å²	52.2	50%	0.504	29%	0.29	S	S	.	.	S	Bend	trans	-70.9	-2.9	177.7	0	0	0	0	0	115.1	R500 L502	R500-A621 PolarHBondContact NH1-O 3.06Å; L502-A621 HydrophobicContact CD2-CB 4.26Å; L502-A621 WeakPolarHBondContact CD2-O 3.48Å
622	G	90.4	Very high	94.1	Very high	30 Å²	30	52.2 Å²	52.2	31%	0.309	29%	0.29	S	S	.	.	S	Bend	trans	-82.8	-178	-178.7	0	0	0	0	0	114.2	R500 H618 K620	R500-G622 PolarHBondContact NH1-O 3.31Å; H618-G622 PolarHBondContact NE2-O 3.41Å; K620-G622 PolarHBondContact O-N 3Å; K620-G622 VanDerWaalsContact O-N 3.08Å
623	P	93.3	Very high	94.1	Very high	107 Å²	107	53.1 Å²	53.1	70%	0.695	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-62.3	151.2	170.2	28.4	-34.2	0	0	0	110.9
624	V	94.6	Very high	94	Very high	17 Å²	17	53.2 Å²	53.2	10%	0.103	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-75.1	130.7	176.3	-172.9	0	0	0	0	108.9	R500 A596 C616 W629	R500-V624 HydrophobicContact CB-CG2 4.24Å; A596-V624 HydrophobicContact CB-CG2 3.58Å; C616-V624 VanDerWaalsContact SG-CG1 3.54Å; V624-W629 HydrophobicContact CB-CH2 4.39Å; V624-W629 HydrophobicContact CB-CZ2 3.57Å; V624-W629 HydrophobicContact CG1-CD2 4.14Å; V624-W629 HydrophobicContact CG1-CH2 4.33Å; V624-W629 HydrophobicContact CG1-CZ2 3.67Å; V624-W629 HydrophobicContact CG2-CH2 4.09Å; V624-W629 HydrophobicContact CG2-CZ2 3.68Å
625	P	93.8	Very high	93.6	Very high	71 Å²	71	52.6 Å²	52.6	46%	0.461	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-62.6	139.4	174.5	-18.6	31.1	0	0	0	111.6	D627 S628	P625-D627 VanDerWaalsContact C-N 3.26Å; P625-D627 PolarHBondContact O-N 2.94Å; P625-S628 WeakPolarHBondContact O-CB 3.29Å; P625-S628 PolarHBondContact O-N 3.35Å
626	E	89.6	Confident	92.9	Very high	175 Å²	175	56.7 Å²	56.7	82%	0.818	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-57.6	-37.4	-176.1	-66.7	-177.6	177.1	0	0	112.9	S628	E626-S628 VanDerWaalsContact C-N 3.26Å; E626-S628 PolarHBondContact O-N 3.37Å
627	D	90.1	Very high	92.3	Very high	163 Å²	163	61.6 Å²	61.6	87%	0.872	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-78.3	-4.9	-178.8	-57.9	-37.8	0	0	0	114	P625	P625-D627 VanDerWaalsContact C-N 3.26Å; P625-D627 PolarHBondContact O-N 2.94Å
628	S	93.8	Very high	91.9	Very high	49 Å²	49	62.7 Å²	62.7	34%	0.343	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-87.5	-15	-178.5	-59.8	0	0	0	0	113.5	C616 P625 E626	C616-S628 WeakPolarHBondContact CB-O 3.37Å; P625-S628 WeakPolarHBondContact O-CB 3.29Å; P625-S628 PolarHBondContact O-N 3.35Å; E626-S628 VanDerWaalsContact C-N 3.26Å; E626-S628 PolarHBondContact O-N 3.37Å
629	W	96	Very high	91.8	Very high	37 Å²	37	62.1 Å²	62.1	14%	0.14	34%	0.344	C	S	.	.			trans	-75.3	125.8	-175.8	-68.2	107.9	0	0	0	112.5	E498 A596 Q614 V624	E498-W629 HydrophobicContact CG-CH2 4.38Å; E498-W629 HydrophobicContact CG-CZ2 4.38Å; A596-W629 HydrophobicContact CB-CH2 3.69Å; A596-W629 HydrophobicContact CB-CZ3 4.04Å; Q614-W629 HydrophobicContact CB-CD2 4.27Å; Q614-W629 HydrophobicContact CB-CE3 3.67Å; Q614-W629 HydrophobicContact CB-CZ3 4.21Å; V624-W629 HydrophobicContact CB-CH2 4.39Å; V624-W629 HydrophobicContact CB-CZ2 3.57Å; V624-W629 HydrophobicContact CG1-CD2 4.14Å; V624-W629 HydrophobicContact CG1-CH2 4.33Å; V624-W629 HydrophobicContact CG1-CZ2 3.67Å; V624-W629 HydrophobicContact CG2-CH2 4.09Å; V624-W629 HydrophobicContact CG2-CZ2 3.68Å
630	N	96.3	Very high	91.8	Very high	46 Å²	46	58.9 Å²	58.9	25%	0.246	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.8	169.2	-64.2	-42.5	0	0	0	110.4	Q614 G615 Y632 Q641	Q614-N630 CarbonylContact C-O 3.54Å; Q614-N630 VanDerWaalsContact CA-O 3.25Å; Q614-N630 WeakPolarHBondContact CA-O 3.46Å; G615-N630 PolarHBondContact N-O 2.88Å; G615-N630 PolarHBondContact O-N 2.95Å; N630-Y632 HydrophobicContact CB-CE2 3.76Å; N630-Q641 HydrophobicContact CB-CG 4.2Å; N630-Q641 PolarHBondContact OD1-NE2 2.88Å; N630-Q641 VanDerWaalsContact OD1-NE2 3.1Å
631	I	97.2	Very high	92.2	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.1	176.4	-59	-166.3	0	0	0	109.3	V612 Q641 L642 I644 E646	V612-I631 HydrophobicContact CG1-CG2 3.36Å; I631-Q641 CarbonylContact O-C 3.6Å; I631-Q641 WeakPolarHBondContact O-CA 3.3Å; I631-L642 HydrophobicContact CB-CB 4.4Å; I631-L642 HydrophobicContact CG2-CB 4.32Å; I631-L642 HydrophobicContact CG2-CD1 3.9Å; I631-L642 HydrophobicContact CG2-CG 4.36Å; I631-L642 PolarHBondContact O-N 2.91Å; I631-I644 HydrophobicContact CD1-CG1 4.31Å; I631-I644 WeakPolarHBondContact CD1-O 3.46Å; I631-E646 HydrophobicContact CD1-CG 4.31Å; I631-E646 WeakPolarHBondContact CD1-OE1 3.35Å
632	Y	97.4	Very high	92.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.2	177.5	-67.7	-88	0	0	0	110.7	V612 L613 G615 N630 R640 Q641 L665 A668 L669 S672	V612-Y632 WeakPolarHBondContact CA-O 3.42Å; L613-Y632 PolarHBondContact N-O 2.89Å; L613-Y632 VanDerWaalsContact N-O 3.14Å; L613-Y632 PolarHBondContact O-N 3.42Å; G615-Y632 WeakPolarHBondContact O-CE2 3.24Å; N630-Y632 HydrophobicContact CB-CE2 3.76Å; Y632-R640 WeakPolarHBondContact CA-O 3.48Å; Y632-Q641 HydrophobicContact CD1-CB 4.36Å; Y632-Q641 HydrophobicContact CE1-CB 4.11Å; Y632-L665 HydrophobicContact CD1-CD1 4.19Å; Y632-L665 HydrophobicContact CG-CD1 4.07Å; Y632-A668 HydrophobicContact CD1-CB 4.27Å; Y632-A668 HydrophobicContact CE1-CB 4.27Å; Y632-L669 HydrophobicContact CD2-CD2 4.24Å; Y632-L669 HydrophobicContact CE1-CD2 4.12Å; Y632-L669 HydrophobicContact CE2-CD2 3.61Å; Y632-S672 PolarHBondContact OH-OG 3.28Å
633	F	96.4	Very high	93	Very high	20 Å²	20	55.1 Å²	55.1	9%	0.088	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.9	170	-174.3	-85.5	0	0	0	108.8	C606 N610 V612 S639 R640 L642 F651 T653	C606-F633 HydrophobicContact CB-CE2 3.95Å; N610-F633 HydrophobicContact CB-CE1 3.99Å; N610-F633 HydrophobicContact CB-CE2 3.86Å; N610-F633 HydrophobicContact CB-CZ 3.46Å; N610-F633 VanDerWaalsContact CB-CZ 3.46Å; N610-F633 WeakPolarHBondContact OD1-CE1 3.24Å; N610-F633 WeakPolarHBondContact OD1-CZ 3.31Å; V612-F633 HydrophobicContact CG2-CD2 3.73Å; V612-F633 HydrophobicContact CG2-CE2 4.37Å; F633-S639 CarbonylContact O-C 3.48Å; F633-S639 VanDerWaalsContact O-CA 3.25Å; F633-S639 WeakPolarHBondContact O-CA 3.45Å; F633-R640 HydrophobicContact CB-CG 4.23Å; F633-R640 PolarHBondContact N-O 2.92Å; F633-R640 PolarHBondContact O-N 3.13Å; F633-L642 HydrophobicContact CB-CD1 4Å; F633-L642 HydrophobicContact CB-CD2 3.7Å; F633-L642 HydrophobicContact CB-CG 3.84Å; F633-L642 HydrophobicContact CD2-CD1 4.42Å; F633-L642 HydrophobicContact CG-CD2 4.43Å; F633-F651 HydrophobicContact CD2-CZ 4.3Å; F633-F651 HydrophobicContact CE2-CZ 4.19Å; F633-T653 HydrophobicContact CE2-CG2 4.22Å
634	V	95.3	Very high	93.1	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.9	-177.8	-178.5	0	0	0	0	108.5	I580 N610 L611 L665	I580-V634 HydrophobicContact CG2-CG1 4.5Å; N610-V634 CarbonylContact C-O 3.54Å; N610-V634 WeakPolarHBondContact CA-O 3.46Å; L611-V634 HydrophobicContact CB-CB 4.24Å; L611-V634 PolarHBondContact N-O 3.02Å; L611-V634 PolarHBondContact O-N 3.12Å; V634-L665 HydrophobicContact CG2-CB 4.26Å; V634-L665 HydrophobicContact CG2-CD1 3.85Å; V634-L665 HydrophobicContact CG2-CD2 4.35Å; V634-L665 HydrophobicContact CG2-CG 4.37Å
635	G	89.7	Confident	93	Very high	9 Å²	9	53.3 Å²	53.3	9%	0.093	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-178.3	173.3	0	0	0	0	0	112.1	Q637 R638	G635-Q637 VanDerWaalsContact C-N 3.33Å; G635-Q637 PolarHBondContact O-N 3.37Å; G635-R638 WeakPolarHBondContact CA-O 3.35Å; G635-R638 PolarHBondContact N-O 2.98Å
636	S	82.8	Confident	93	Very high	86 Å²	86	51.6 Å²	51.6	60%	0.601	27%	0.265	S	S	*	.	S	Bend	trans	-65.8	-31.3	-179.3	58.9	0	0	0	0	114.5
637	Q	83.6	Confident	93.2	Very high	108 Å²	108	50.6 Å²	50.6	51%	0.505	27%	0.265	S	S	.	.	S	Bend	trans	-109.5	-24.7	-176.6	-68.7	-174.7	-14.5	0	0	113.2	R68 G635	R68-Q637 PolarHBondContact NH1-O 3.37Å; G635-Q637 VanDerWaalsContact C-N 3.33Å; G635-Q637 PolarHBondContact O-N 3.37Å
638	R	88.3	Confident	93.4	Very high	78 Å²	78	44.4 Å²	44.4	29%	0.294	24%	0.235	S	C	.	.			trans	-151.5	153.7	-172.8	65.6	-175.9	175.9	-154	4	113.5	E61 G635 H662	E61-R638 VanDerWaalsContact CD-NH1 3.31Å; E61-R638 VanDerWaalsContact CG-NH1 3.27Å; E61-R638 IonicContact OE1-CZ 3.99Å; E61-R638 IonicContact OE1-NH1 2.72Å; E61-R638 PolarHBondContact OE1-NH1 3.48Å; E61-R638 IonicContact OE1-NH2 2.6Å; E61-R638 PolarHBondContact OE1-NH2 3.44Å; G635-R638 WeakPolarHBondContact CA-O 3.35Å; G635-R638 PolarHBondContact N-O 2.98Å; R638-H662 CarbonylContact C-O 3.54Å; R638-H662 WeakPolarHBondContact CA-O 3.38Å; R638-H662 WeakPolarHBondContact CB-O 3.33Å
639	S	94	Very high	93.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	143.5	172.2	-57.4	0	0	0	0	109.4	F633 H662 L665	F633-S639 CarbonylContact O-C 3.48Å; F633-S639 VanDerWaalsContact O-CA 3.25Å; F633-S639 WeakPolarHBondContact O-CA 3.45Å; S639-H662 PolarHBondContact N-O 3.36Å; S639-H662 PolarHBondContact O-N 3.32Å; S639-L665 PolarHBondContact OG-N 3.43Å
640	R	94	Very high	93.3	Very high	17 Å²	17	53.3 Å²	53.3	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	156.2	177.5	64.9	-176.3	179.8	-152.7	3.4	112	Y632 F633 L642 T653 F661	Y632-R640 WeakPolarHBondContact CA-O 3.48Å; F633-R640 HydrophobicContact CB-CG 4.23Å; F633-R640 PolarHBondContact N-O 2.92Å; F633-R640 PolarHBondContact O-N 3.13Å; R640-L642 HydrophobicContact CG-CD2 4.3Å; R640-T653 VanDerWaalsContact CZ-O 3.22Å; R640-T653 PolarHBondContact NE-O 2.96Å; R640-T653 PolarHBondContact NH2-O 3.03Å; R640-F661 HydrophobicContact CB-CD1 3.73Å; R640-F661 HydrophobicContact CB-CE1 4.06Å; R640-F661 HydrophobicContact CG-CD1 4.46Å; R640-F661 HydrophobicContact CG-CE1 4.39Å
641	Q	95.9	Very high	93.2	Very high	39 Å²	39	54 Å²	54	18%	0.182	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.2	167.5	-172.4	179.6	-12.2	0	0	109.9	N630 I631 Y632 H655 A656	N630-Q641 HydrophobicContact CB-CG 4.2Å; N630-Q641 PolarHBondContact OD1-NE2 2.88Å; N630-Q641 VanDerWaalsContact OD1-NE2 3.1Å; I631-Q641 CarbonylContact O-C 3.6Å; I631-Q641 WeakPolarHBondContact O-CA 3.3Å; Y632-Q641 HydrophobicContact CD1-CB 4.36Å; Y632-Q641 HydrophobicContact CE1-CB 4.11Å; Q641-H655 WeakPolarHBondContact O-CA 3.35Å; Q641-A656 HydrophobicContact CB-CB 4.13Å; Q641-A656 HydrophobicContact CG-CB 3.81Å; Q641-A656 PolarHBondContact O-N 3.43Å
642	L	95.4	Very high	93	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-93.1	150.9	175.9	-59.5	-176.1	0	0	0	111.4	I631 F633 R640 I644 F651 D654	I631-L642 HydrophobicContact CB-CB 4.4Å; I631-L642 HydrophobicContact CG2-CB 4.32Å; I631-L642 HydrophobicContact CG2-CD1 3.9Å; I631-L642 HydrophobicContact CG2-CG 4.36Å; I631-L642 PolarHBondContact O-N 2.91Å; F633-L642 HydrophobicContact CB-CD1 4Å; F633-L642 HydrophobicContact CB-CD2 3.7Å; F633-L642 HydrophobicContact CB-CG 3.84Å; F633-L642 HydrophobicContact CD2-CD1 4.42Å; F633-L642 HydrophobicContact CG-CD2 4.43Å; R640-L642 HydrophobicContact CG-CD2 4.3Å; L642-I644 VanDerWaalsContact C-N 3.25Å; L642-I644 HydrophobicContact CB-CG1 3.8Å; L642-I644 HydrophobicContact CD1-CD1 3.94Å; L642-I644 HydrophobicContact CD1-CG1 3.94Å; L642-I644 PolarHBondContact O-N 2.98Å; L642-F651 HydrophobicContact CD1-CE2 4.31Å; L642-D654 WeakPolarHBondContact CA-O 3.47Å
643	E	94.6	Very high	92.7	Very high	127 Å²	127	58.1 Å²	58.1	59%	0.593	31%	0.312	S	S	*	.	S	Bend	trans	-69.5	-25.7	173.5	-172.5	177.2	-164.4	0	0	112.3	D654	E643-D654 PolarHBondContact N-O 3.04Å
644	I	95.3	Very high	92.4	Very high	17 Å²	17	60.3 Å²	60.3	9%	0.087	32%	0.324	C	S	.	.			trans	-72.1	157.8	-177.7	62.1	166.8	0	0	0	112.9	W602 I631 L642 F651 S652	W602-I644 HydrophobicContact CD2-CD1 4.21Å; W602-I644 HydrophobicContact CG-CD1 4.02Å; I631-I644 HydrophobicContact CD1-CG1 4.31Å; I631-I644 WeakPolarHBondContact CD1-O 3.46Å; L642-I644 VanDerWaalsContact C-N 3.25Å; L642-I644 HydrophobicContact CB-CG1 3.8Å; L642-I644 HydrophobicContact CD1-CD1 3.94Å; L642-I644 HydrophobicContact CD1-CG1 3.94Å; L642-I644 PolarHBondContact O-N 2.98Å; I644-F651 HydrophobicContact CD1-CD2 3.79Å; I644-F651 HydrophobicContact CD1-CE2 4.12Å; I644-S652 WeakPolarHBondContact CD1-O 3.46Å
645	T	94.3	Very high	92.1	Very high	70 Å²	70	61.3 Å²	61.3	43%	0.429	33%	0.329	S	S	.	.			trans	-120.9	172	173	64.3	0	0	0	0	110.9	W602 N647 S648	W602-T645 PolarHBondContact NE1-O 3.4Å; T645-N647 PolarHBondContact O-N 3.12Å; T645-N647 VanDerWaalsContact O-N 3.15Å; T645-N647 PolarHBondContact OG1-N 3.47Å; T645-S648 PolarHBondContact N-OG 3.35Å; T645-S648 WeakPolarHBondContact O-CB 3.46Å; T645-S648 PolarHBondContact O-N 2.88Å; T645-S648 VanDerWaalsContact O-N 3.08Å; T645-S648 PolarHBondContact O-OG 2.98Å; T645-S648 PolarHBondContact OG1-OG 3.49Å
646	E	94	Very high	92.1	Very high	35 Å²	35	61.5 Å²	61.5	16%	0.164	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18	174.7	-69.3	-58.7	135	0	0	112.4	S600 K601 Q614 I631	S600-E646 WeakPolarHBondContact CA-OE1 3.25Å; S600-E646 WeakPolarHBondContact CB-OE1 3.2Å; S600-E646 PolarHBondContact OG-OE1 2.96Å; K601-E646 WeakPolarHBondContact CE-O 3.45Å; K601-E646 VanDerWaalsContact CG-OE2 3.27Å; K601-E646 WeakPolarHBondContact CG-OE2 3.41Å; K601-E646 PolarHBondContact N-OE2 3.42Å; K601-E646 VanDerWaalsContact N-OE2 3.1Å; K601-E646 PolarHBondContact NZ-O 3.44Å; Q614-E646 HydrophobicContact CG-CG 4.28Å; Q614-E646 VanDerWaalsContact NE2-CG 3.31Å; I631-E646 HydrophobicContact CD1-CG 4.31Å; I631-E646 WeakPolarHBondContact CD1-OE1 3.35Å
647	N	92.8	Very high	92.2	Very high	153 Å²	153	62 Å²	62	82%	0.818	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.9	177.6	-64	-30.8	0	0	0	113.3	T645	T645-N647 PolarHBondContact O-N 3.12Å; T645-N647 VanDerWaalsContact O-N 3.15Å; T645-N647 PolarHBondContact OG1-N 3.47Å
648	S	94.3	Very high	92	Very high	34 Å²	34	60.5 Å²	60.5	24%	0.238	35%	0.353	C	S	.	.			trans	-66.1	147	179.3	-60.4	0	0	0	0	111.5	K601 W602 T645	K601-S648 PolarHBondContact NZ-O 3.42Å; W602-S648 WeakPolarHBondContact CH2-O 3.47Å; W602-S648 VanDerWaalsContact CZ2-O 3.23Å; W602-S648 WeakPolarHBondContact CZ2-O 3.49Å; T645-S648 PolarHBondContact N-OG 3.35Å; T645-S648 WeakPolarHBondContact O-CB 3.46Å; T645-S648 PolarHBondContact O-N 2.88Å; T645-S648 VanDerWaalsContact O-N 3.08Å; T645-S648 PolarHBondContact O-OG 2.98Å; T645-S648 PolarHBondContact OG1-OG 3.49Å
649	E	93.2	Very high	92	Very high	205 Å²	205	57.3 Å²	57.3	96%	0.958	34%	0.342	S	S	*	.	S	Bend	trans	-73.7	-34.7	-175.5	-65	-173.4	173.9	0	0	112.7
650	A	93.9	Very high	91.8	Very high	68 Å²	68	60 Å²	60	56%	0.562	36%	0.355	S	S	*	.	S	Bend	trans	-134.3	153.3	-176.4	0	0	0	0	0	111.5	S652	A650-S652 PolarHBondContact O-N 3.1Å
651	F	94.8	Very high	91.8	Very high	59 Å²	59	59.3 Å²	59.3	26%	0.259	35%	0.352	S	S	.	.			trans	-71.1	125.2	173.1	-175.5	-123.6	0	0	0	109.4	W602 C606 V612 F633 L642 I644 T653	W602-F651 HydrophobicContact CB-CD2 3.65Å; W602-F651 HydrophobicContact CB-CE2 3.77Å; W602-F651 HydrophobicContact CD2-CB 4.34Å; W602-F651 AromaticContact CD2-CD2 3.86Å; W602-F651 HydrophobicContact CD2-CD2 3.86Å; W602-F651 HydrophobicContact CE3-CB 3.56Å; W602-F651 AromaticContact CE3-CD2 3.84Å; W602-F651 HydrophobicContact CE3-CD2 3.84Å; W602-F651 HydrophobicContact CE3-CG 4.09Å; W602-F651 AromaticContact CG-CD2 3.83Å; W602-F651 HydrophobicContact CG-CD2 3.83Å; W602-F651 HydrophobicContact CG-CE2 4.33Å; W602-F651 HydrophobicContact CZ3-CB 3.73Å; W602-F651 VanDerWaalsContact CZ3-N 3.29Å; C606-F651 HydrophobicContact CB-CE1 4.16Å; C606-F651 HydrophobicContact CB-CZ 3.76Å; V612-F651 HydrophobicContact CG2-CE2 4.09Å; V612-F651 HydrophobicContact CG2-CZ 4.18Å; F633-F651 HydrophobicContact CD2-CZ 4.3Å; F633-F651 HydrophobicContact CE2-CZ 4.19Å; L642-F651 HydrophobicContact CD1-CE2 4.31Å; I644-F651 HydrophobicContact CD1-CD2 3.79Å; I644-F651 HydrophobicContact CD1-CE2 4.12Å; F651-T653 HydrophobicContact CE1-CG2 3.8Å; F651-T653 HydrophobicContact CZ-CG2 3.93Å
652	S	92.8	Very high	91.8	Very high	31 Å²	31	58 Å²	58	22%	0.217	35%	0.346	C	S	.	.			trans	-126	150.2	168.1	-177	0	0	0	0	109.6	I644 A650 D654	I644-S652 WeakPolarHBondContact CD1-O 3.46Å; A650-S652 PolarHBondContact O-N 3.1Å; S652-D654 PolarHBondContact OG-N 3.33Å; S652-D654 VanDerWaalsContact OG-N 3.15Å; S652-D654 PolarHBondContact OG-OD2 3.04Å
653	T	90.4	Very high	91.7	Very high	59 Å²	59	58.1 Å²	58.1	36%	0.362	35%	0.347	S	S	.	.			trans	-101.9	7	174.4	66.3	0	0	0	0	112.2	F633 R640 F651	F633-T653 HydrophobicContact CE2-CG2 4.22Å; R640-T653 VanDerWaalsContact CZ-O 3.22Å; R640-T653 PolarHBondContact NE-O 2.96Å; R640-T653 PolarHBondContact NH2-O 3.03Å; F651-T653 HydrophobicContact CE1-CG2 3.8Å; F651-T653 HydrophobicContact CZ-CG2 3.93Å
654	D	90.3	Very high	91.7	Very high	66 Å²	66	52.1 Å²	52.1	35%	0.353	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.3	136.2	177.7	-62.3	-36.1	0	0	0	110.8	L642 E643 S652	L642-D654 WeakPolarHBondContact CA-O 3.47Å; E643-D654 PolarHBondContact N-O 3.04Å; S652-D654 PolarHBondContact OG-N 3.33Å; S652-D654 VanDerWaalsContact OG-N 3.15Å; S652-D654 PolarHBondContact OG-OD2 3.04Å
655	H	89.3	Confident	91.7	Very high	22 Å²	22	51.3 Å²	51.3	10%	0.102	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-77.2	147.9	-178.1	61.7	-80.8	0	0	0	111.4	E56 Q641 F661	E56-H655 IonicContact OE1-CD2 2.91Å; E56-H655 IonicContact OE1-CE1 2.76Å; E56-H655 IonicContact OE1-NE2 2.75Å; E56-H655 PolarHBondContact OE1-NE2 3.19Å; Q641-H655 WeakPolarHBondContact O-CA 3.35Å; H655-F661 HydrophobicContact CB-CE1 3.7Å; H655-F661 HydrophobicContact CB-CZ 4.33Å; H655-F661 AromaticContact CG-CE1 3.97Å
656	A	89.7	Confident	91.8	Very high	12 Å²	12	48 Å²	48	10%	0.099	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.2	142	175.7	0	0	0	0	0	110.6	Q641 G658 S659	Q641-A656 HydrophobicContact CB-CB 4.13Å; Q641-A656 HydrophobicContact CG-CB 3.81Å; Q641-A656 PolarHBondContact O-N 3.43Å; A656-G658 PolarHBondContact O-N 3.33Å; A656-S659 PolarHBondContact N-OG 3.25Å; A656-S659 WeakPolarHBondContact O-CB 3.39Å; A656-S659 PolarHBondContact O-N 3.27Å; A656-S659 PolarHBondContact O-OG 3.33Å
657	A	84.4	Confident	91.8	Very high	96 Å²	96	46.7 Å²	46.7	79%	0.793	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	122.5	-179.4	0	0	0	0	0	111.4	S659	A657-S659 VanDerWaalsContact C-N 3.3Å; A657-S659 PolarHBondContact O-N 3.11Å
658	G	81.1	Confident	91.9	Very high	78 Å²	78	39.6 Å²	39.6	80%	0.804	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	3.3	-178.7	0	0	0	0	0	115.3	A656	A656-G658 PolarHBondContact O-N 3.33Å
659	S	87.2	Confident	92	Very high	10 Å²	10	38 Å²	38	7%	0.07	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-79.2	148.1	170.7	66.7	0	0	0	0	111.7	A656 A657	A656-S659 PolarHBondContact N-OG 3.25Å; A656-S659 WeakPolarHBondContact O-CB 3.39Å; A656-S659 PolarHBondContact O-N 3.27Å; A656-S659 PolarHBondContact O-OG 3.33Å; A657-S659 VanDerWaalsContact C-N 3.3Å; A657-S659 PolarHBondContact O-N 3.11Å
660	E	90.9	Very high	92	Very high	58 Å²	58	30.3 Å²	30.3	27%	0.271	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-100.8	165.7	176.1	-61.2	-165.9	173.9	0	0	112.1	K63	K63-E660 VanDerWaalsContact CE-OE2 3.3Å; K63-E660 WeakPolarHBondContact CE-OE2 3.41Å; K63-E660 IonicContact NZ-OE1 3.5Å; K63-E660 PolarHBondContact NZ-OE1 3.44Å; K63-E660 IonicContact NZ-OE2 3.74Å; K63-E660 PolarHBondContact NZ-OE2 2.91Å
661	F	93.5	Very high	91.9	Very high	3 Å²	3	31 Å²	31	1%	0.013	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-97	129.3	171.9	-68.8	1.1	0	0	0	108.4	I57 L60 E61 A64 R640 H655	I57-F661 HydrophobicContact CG2-CE2 4.19Å; L60-F661 HydrophobicContact CB-CD1 4.32Å; L60-F661 HydrophobicContact CB-CD2 3.79Å; L60-F661 HydrophobicContact CB-CE1 4.42Å; L60-F661 HydrophobicContact CB-CE2 3.94Å; L60-F661 HydrophobicContact CB-CG 3.99Å; L60-F661 HydrophobicContact CB-CZ 4.24Å; L60-F661 HydrophobicContact CD1-CD1 4.3Å; L60-F661 HydrophobicContact CD1-CE1 3.89Å; L60-F661 HydrophobicContact CD1-CZ 4.04Å; E61-F661 HydrophobicContact CG-CD2 4.08Å; E61-F661 HydrophobicContact CG-CE2 4.1Å; A64-F661 HydrophobicContact CB-CB 3.78Å; A64-F661 WeakPolarHBondContact CB-O 3.28Å; R640-F661 HydrophobicContact CB-CD1 3.73Å; R640-F661 HydrophobicContact CB-CE1 4.06Å; R640-F661 HydrophobicContact CG-CD1 4.46Å; R640-F661 HydrophobicContact CG-CE1 4.39Å; H655-F661 HydrophobicContact CB-CE1 3.7Å; H655-F661 HydrophobicContact CB-CZ 4.33Å; H655-F661 AromaticContact CG-CE1 3.97Å
662	H	95	Very high	91.6	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.051	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-120.5	156.9	178.5	-66.2	-78	0	0	0	110.5	E71 R638 S639 T664 H667 A668 D671	E71-H662 IonicContact OE1-CE1 3.47Å; E71-H662 IonicContact OE1-CG 3.52Å; E71-H662 IonicContact OE1-ND1 3.84Å; E71-H662 PolarHBondContact OE1-ND1 3.03Å; E71-H662 IonicContact OE2-ND1 2.66Å; R638-H662 CarbonylContact C-O 3.54Å; R638-H662 WeakPolarHBondContact CA-O 3.38Å; R638-H662 WeakPolarHBondContact CB-O 3.33Å; S639-H662 PolarHBondContact N-O 3.36Å; S639-H662 PolarHBondContact O-N 3.32Å; H662-T664 VanDerWaalsContact C-N 3.26Å; H662-T664 WeakPolarHBondContact CB-O 3.5Å; H662-H667 HydrophobicContact CB-CB 3.84Å; H662-H667 WeakPolarHBondContact ND1-CB 3.23Å; H662-A668 HydrophobicContact CB-CB 4.3Å; H662-A668 VanDerWaalsContact CD2-CA 3.46Å; H662-A668 WeakPolarHBondContact CD2-CA 3.47Å; H662-D671 IonicContact CD2-OD2 3.83Å; H662-D671 IonicContact CE1-OD1 3.66Å; H662-D671 IonicContact NE2-OD1 2.74Å; H662-D671 PolarHBondContact NE2-OD1 3.25Å; H662-D671 IonicContact NE2-OD2 2.79Å; H662-D671 PolarHBondContact NE2-OD2 2.9Å; H662-D671 VanDerWaalsContact NE2-OD2 3.07Å
663	S	93.1	Very high	91.7	Very high	7 Å²	7	30 Å²	30	5%	0.049	20%	0.197	C	C	.	.	S	Bend	trans	-74	-20.1	173.1	-68.3	0	0	0	0	112.7	R68 E71	R68-S663 VanDerWaalsContact CA-OG 3.31Å; R68-S663 WeakPolarHBondContact CA-OG 3.48Å; R68-S663 WeakPolarHBondContact CB-OG 3.32Å; R68-S663 WeakPolarHBondContact CG-OG 3.48Å; R68-S663 PolarHBondContact NH1-OG 3.21Å; E71-S663 WeakPolarHBondContact OE2-CB 3.37Å; E71-S663 PolarHBondContact OE2-N 2.54Å
664	T	95	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-135.2	155.9	-176.6	89.6	0	0	0	0	112	E71 L72 L75 F583 Q587 H662 I666 H667 A668	E71-T664 HydrophobicContact CB-CG2 4.5Å; L72-T664 HydrophobicContact CD2-CG2 3.85Å; L75-T664 HydrophobicContact CB-CG2 4.36Å; L75-T664 HydrophobicContact CD2-CG2 3.71Å; F583-T664 HydrophobicContact CZ-CG2 4.25Å; Q587-T664 PolarHBondContact OE1-OG1 3Å; H662-T664 VanDerWaalsContact C-N 3.26Å; H662-T664 WeakPolarHBondContact CB-O 3.5Å; T664-I666 VanDerWaalsContact C-N 3.31Å; T664-I666 PolarHBondContact O-N 3.02Å; T664-I666 WeakPolarHBondContact OG1-CG1 3.38Å; T664-H667 PolarHBondContact OG1-CE1 3.04Å; T664-H667 PolarHBondContact OG1-ND1 3.33Å; T664-A668 PolarHBondContact O-N 3.08Å
665	L	95.9	Very high	92.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.5	-37.8	178.5	174.2	61.4	0	0	0	111.3	Q587 M588 L613 Y632 V634 S639 H667 A668 L669	Q587-L665 HydrophobicContact CB-CB 4.44Å; M588-L665 HydrophobicContact CG-CD2 4.24Å; L613-L665 HydrophobicContact CD2-CD2 4.34Å; Y632-L665 HydrophobicContact CD1-CD1 4.19Å; Y632-L665 HydrophobicContact CG-CD1 4.07Å; V634-L665 HydrophobicContact CG2-CB 4.26Å; V634-L665 HydrophobicContact CG2-CD1 3.85Å; V634-L665 HydrophobicContact CG2-CD2 4.35Å; V634-L665 HydrophobicContact CG2-CG 4.37Å; S639-L665 PolarHBondContact OG-N 3.43Å; L665-H667 VanDerWaalsContact C-N 3.34Å; L665-H667 PolarHBondContact O-N 3.49Å; L665-A668 PolarHBondContact O-N 3.32Å; L665-L669 HydrophobicContact CD1-CD1 4.34Å; L665-L669 HydrophobicContact CD1-CG 4.21Å; L665-L669 HydrophobicContact CG-CD1 4.03Å; L665-L669 HydrophobicContact CG-CG 4.38Å; L665-L669 WeakPolarHBondContact O-CG 3.38Å; L665-L669 PolarHBondContact O-N 3.13Å
666	I	95.7	Very high	92.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.1	-37.7	-177.3	61.6	161.5	0	0	0	112.8	L75 L78 Q587 Y591 T664 L669 Q670	L75-I666 HydrophobicContact CB-CD1 4.33Å; L75-I666 HydrophobicContact CD1-CD1 3.81Å; L75-I666 HydrophobicContact CD1-CG1 4.4Å; L78-I666 HydrophobicContact CD1-CD1 4.21Å; Q587-I666 HydrophobicContact CB-CG2 3.71Å; Q587-I666 HydrophobicContact CG-CG2 3.88Å; Q587-I666 VanDerWaalsContact OE1-N 3.16Å; Y591-I666 HydrophobicContact CD2-CB 3.88Å; Y591-I666 HydrophobicContact CD2-CG2 3.31Å; Y591-I666 HydrophobicContact CE1-CB 4.32Å; Y591-I666 HydrophobicContact CE2-CB 3.39Å; Y591-I666 HydrophobicContact CE2-CD1 3.97Å; Y591-I666 HydrophobicContact CE2-CG1 4.28Å; Y591-I666 HydrophobicContact CE2-CG2 3.32Å; Y591-I666 HydrophobicContact CG-CG2 4.09Å; T664-I666 VanDerWaalsContact C-N 3.31Å; T664-I666 PolarHBondContact O-N 3.02Å; T664-I666 WeakPolarHBondContact OG1-CG1 3.38Å; I666-L669 PolarHBondContact O-N 3.27Å; I666-Q670 VanDerWaalsContact O-CG 3.28Å; I666-Q670 WeakPolarHBondContact O-CG 3.32Å; I666-Q670 PolarHBondContact O-N 3.21Å
667	H	95.4	Very high	92.6	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-72.5	-37.9	177.3	-60.4	97.6	0	0	0	110.9	E71 E74 H662 T664 L665 L669 Q670 D671	E71-H667 VanDerWaalsContact CB-CE1 3.48Å; E71-H667 WeakPolarHBondContact CB-CE1 3.37Å; E71-H667 HydrophobicContact CG-CB 4.44Å; E71-H667 PolarHBondContact O-CE1 3.48Å; E71-H667 VanDerWaalsContact O-CE1 3.26Å; E71-H667 IonicContact OE2-ND1 3.3Å; E74-H667 IonicContact OE2-NE2 3.06Å; E74-H667 PolarHBondContact OE2-NE2 2.72Å; H662-H667 HydrophobicContact CB-CB 3.84Å; H662-H667 WeakPolarHBondContact ND1-CB 3.23Å; T664-H667 PolarHBondContact OG1-CE1 3.04Å; T664-H667 PolarHBondContact OG1-ND1 3.33Å; L665-H667 VanDerWaalsContact C-N 3.34Å; L665-H667 PolarHBondContact O-N 3.49Å; H667-L669 VanDerWaalsContact C-N 3.26Å; H667-L669 PolarHBondContact O-N 3.27Å; H667-Q670 PolarHBondContact CD2-OE1 3.3Å; H667-Q670 WeakPolarHBondContact O-CB 3.42Å; H667-Q670 PolarHBondContact O-N 3.13Å; H667-Q670 VanDerWaalsContact O-N 3.14Å; H667-D671 PolarHBondContact O-N 3.03Å
668	A	95	Very high	93.1	Very high	4 Å²	4	32 Å²	32	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-30.8	171.8	0	0	0	0	0	113.3	Y632 H662 T664 L665	Y632-A668 HydrophobicContact CD1-CB 4.27Å; Y632-A668 HydrophobicContact CE1-CB 4.27Å; H662-A668 HydrophobicContact CB-CB 4.3Å; H662-A668 VanDerWaalsContact CD2-CA 3.46Å; H662-A668 WeakPolarHBondContact CD2-CA 3.47Å; T664-A668 PolarHBondContact O-N 3.08Å; L665-A668 PolarHBondContact O-N 3.32Å
669	L	95	Very high	93.7	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-71.1	-43.9	172.5	-70.7	165.6	0	0	0	111.1	Y591 F597 Y632 L665 I666 H667 D671 S672 M673	Y591-L669 HydrophobicContact CD1-CD1 4.34Å; F597-L669 HydrophobicContact CE1-CD1 3.8Å; F597-L669 HydrophobicContact CE1-CD2 4.45Å; F597-L669 HydrophobicContact CZ-CD1 3.91Å; Y632-L669 HydrophobicContact CD2-CD2 4.24Å; Y632-L669 HydrophobicContact CE1-CD2 4.12Å; Y632-L669 HydrophobicContact CE2-CD2 3.61Å; L665-L669 HydrophobicContact CD1-CD1 4.34Å; L665-L669 HydrophobicContact CD1-CG 4.21Å; L665-L669 HydrophobicContact CG-CD1 4.03Å; L665-L669 HydrophobicContact CG-CG 4.38Å; L665-L669 WeakPolarHBondContact O-CG 3.38Å; L665-L669 PolarHBondContact O-N 3.13Å; I666-L669 PolarHBondContact O-N 3.27Å; H667-L669 VanDerWaalsContact C-N 3.26Å; H667-L669 PolarHBondContact O-N 3.27Å; L669-D671 PolarHBondContact O-N 3.44Å; L669-S672 PolarHBondContact O-N 3.41Å; L669-S672 PolarHBondContact O-OG 2.84Å; L669-M673 HydrophobicContact CB-SD 4.32Å; L669-M673 WeakPolarHBondContact O-CG 3.47Å; L669-M673 PolarHBondContact O-N 2.88Å
670	Q	94.6	Very high	94	Very high	43 Å²	43	32 Å²	32	20%	0.201	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-32.1	-177	-77.9	174.1	-6.5	0	0	113.6	Y591 I666 H667 S672 M673	Y591-Q670 HydrophobicContact CE1-CG 4.12Å; Y591-Q670 PolarHBondContact OH-NE2 3.38Å; I666-Q670 VanDerWaalsContact O-CG 3.28Å; I666-Q670 WeakPolarHBondContact O-CG 3.32Å; I666-Q670 PolarHBondContact O-N 3.21Å; H667-Q670 PolarHBondContact CD2-OE1 3.3Å; H667-Q670 WeakPolarHBondContact O-CB 3.42Å; H667-Q670 PolarHBondContact O-N 3.13Å; H667-Q670 VanDerWaalsContact O-N 3.14Å; Q670-S672 PolarHBondContact O-N 3.29Å; Q670-S672 VanDerWaalsContact O-N 3.1Å; Q670-M673 PolarHBondContact O-N 2.93Å; Q670-M673 VanDerWaalsContact O-N 3.09Å
671	D	91	Very high	94.1	Very high	82 Å²	82	30 Å²	30	44%	0.439	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-33.2	174.2	-82.1	-0.5	0	0	0	113.3	H662 H667 L669	H662-D671 IonicContact CD2-OD2 3.83Å; H662-D671 IonicContact CE1-OD1 3.66Å; H662-D671 IonicContact NE2-OD1 2.74Å; H662-D671 PolarHBondContact NE2-OD1 3.25Å; H662-D671 IonicContact NE2-OD2 2.79Å; H662-D671 PolarHBondContact NE2-OD2 2.9Å; H662-D671 VanDerWaalsContact NE2-OD2 3.07Å; H667-D671 PolarHBondContact O-N 3.03Å; L669-D671 PolarHBondContact O-N 3.44Å
672	S	88.3	Confident	94	Very high	51 Å²	51	38.8 Å²	38.8	36%	0.357	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-4.6	-177.1	67.2	0	0	0	0	114.1	Y632 L669 Q670	Y632-S672 PolarHBondContact OH-OG 3.28Å; L669-S672 PolarHBondContact O-N 3.41Å; L669-S672 PolarHBondContact O-OG 2.84Å; Q670-S672 PolarHBondContact O-N 3.29Å; Q670-S672 VanDerWaalsContact O-N 3.1Å
673	M	94.1	Very high	93.9	Very high	18 Å²	18	45.6 Å²	45.6	9%	0.089	24%	0.24	C	C	.	.			trans	-87.9	148.5	-173.4	-72.8	-178.8	74.8	0	0	113.1	Y591 A594 C595 E617 L669 Q670 I678 V681	Y591-M673 HydrophobicContact CD1-CE 4.11Å; Y591-M673 HydrophobicContact CD1-SD 3.66Å; Y591-M673 HydrophobicContact CE1-CE 4.2Å; Y591-M673 HydrophobicContact CE1-SD 3.57Å; Y591-M673 VanDerWaalsContact CE1-SD 3.57Å; A594-M673 HydrophobicContact CB-CE 3.86Å; C595-M673 VanDerWaalsContact SG-SD 3.67Å; E617-M673 HydrophobicContact CB-CG 4.32Å; L669-M673 HydrophobicContact CB-SD 4.32Å; L669-M673 WeakPolarHBondContact O-CG 3.47Å; L669-M673 PolarHBondContact O-N 2.88Å; Q670-M673 PolarHBondContact O-N 2.93Å; Q670-M673 VanDerWaalsContact O-N 3.09Å; M673-I678 HydrophobicContact CB-CD1 4.45Å; M673-I678 HydrophobicContact CB-CG1 4.08Å; M673-V681 HydrophobicContact CE-CG2 4Å
674	S	96.1	Very high	94	Very high	31 Å²	31	46.3 Å²	46.3	22%	0.217	24%	0.244	C	C	.	.			trans	-76.9	158	171.8	74.2	0	0	0	0	111.7	E617 D676 G677 I678	E617-S674 VanDerWaalsContact CD-OG 3.31Å; E617-S674 WeakPolarHBondContact OE1-CB 3.43Å; E617-S674 PolarHBondContact OE1-N 2.95Å; E617-S674 PolarHBondContact OE1-OG 2.8Å; E617-S674 PolarHBondContact OE2-OG 3.07Å; S674-D676 PolarHBondContact O-N 3.3Å; S674-D676 PolarHBondContact OG-N 3.3Å; S674-G677 PolarHBondContact O-N 3.38Å; S674-G677 VanDerWaalsContact O-N 3.15Å; S674-G677 PolarHBondContact OG-N 2.95Å; S674-G677 VanDerWaalsContact OG-N 3.1Å; S674-I678 WeakPolarHBondContact O-CG1 3.47Å; S674-I678 PolarHBondContact O-N 3.09Å
675	P	95.4	Very high	94	Very high	105 Å²	105	49.5 Å²	49.5	68%	0.682	26%	0.259	S	S	*	.	H	α-helix	trans	-56.5	-31.7	172	-25.4	34.9	0	0	0	113.2	A679	P675-A679 VanDerWaalsContact O-CB 3.32Å; P675-A679 WeakPolarHBondContact O-CB 3.17Å; P675-A679 PolarHBondContact O-N 3.27Å
676	D	94.4	Very high	94	Very high	123 Å²	123	52.7 Å²	52.7	66%	0.658	27%	0.272	S	S	*	.	H	α-helix	trans	-69.2	-43.6	178.1	-70.9	-17.4	0	0	0	111.1	L619 S674 A679 L680	L619-D676 HydrophobicContact CD1-CB 4.34Å; S674-D676 PolarHBondContact O-N 3.3Å; S674-D676 PolarHBondContact OG-N 3.3Å; D676-A679 PolarHBondContact O-N 3.48Å; D676-L680 WeakPolarHBondContact O-CB 3.46Å; D676-L680 PolarHBondContact O-N 3.38Å
677	G	94.4	Very high	94	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-44.9	174.4	0	0	0	0	0	112.3	E617 S674 A679 L680 V681	E617-G677 WeakPolarHBondContact OE1-CA 3.41Å; S674-G677 PolarHBondContact O-N 3.38Å; S674-G677 VanDerWaalsContact O-N 3.15Å; S674-G677 PolarHBondContact OG-N 2.95Å; S674-G677 VanDerWaalsContact OG-N 3.1Å; G677-A679 VanDerWaalsContact C-N 3.33Å; G677-A679 PolarHBondContact O-N 3.09Å; G677-L680 WeakPolarHBondContact O-CB 3.48Å; G677-L680 PolarHBondContact O-N 3.25Å; G677-L680 VanDerWaalsContact O-N 3.15Å; G677-V681 WeakPolarHBondContact O-CG2 3.17Å; G677-V681 PolarHBondContact O-N 2.85Å
678	I	94.3	Very high	94.1	Very high	40 Å²	40	52.5 Å²	52.5	21%	0.205	27%	0.271	C	S	.	.	H	α-helix	trans	-61.1	-42.5	176.1	-64.5	168.9	0	0	0	111	M673 S674 L680 V681 R682	M673-I678 HydrophobicContact CB-CD1 4.45Å; M673-I678 HydrophobicContact CB-CG1 4.08Å; S674-I678 WeakPolarHBondContact O-CG1 3.47Å; S674-I678 PolarHBondContact O-N 3.09Å; I678-L680 VanDerWaalsContact C-N 3.29Å; I678-L680 PolarHBondContact O-N 2.7Å; I678-V681 PolarHBondContact O-N 2.95Å; I678-R682 WeakPolarHBondContact O-CG 2.99Å; I678-R682 PolarHBondContact O-N 3.45Å
679	A	93.7	Very high	94.3	Very high	42 Å²	42	53 Å²	53	35%	0.347	27%	0.273	S	S	.	.	H	α-helix	trans	-65.7	-32.4	177	0	0	0	0	0	112.7	P675 D676 G677 K683	P675-A679 VanDerWaalsContact O-CB 3.32Å; P675-A679 WeakPolarHBondContact O-CB 3.17Å; P675-A679 PolarHBondContact O-N 3.27Å; D676-A679 PolarHBondContact O-N 3.48Å; G677-A679 VanDerWaalsContact C-N 3.33Å; G677-A679 PolarHBondContact O-N 3.09Å; A679-K683 WeakPolarHBondContact O-CG 3.48Å
680	L	93.4	Very high	94.4	Very high	45 Å²	45	54.6 Å²	54.6	24%	0.236	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-48.9	175.6	-163.7	77.2	0	0	0	110.7	Q504 S593 A594 L619 D676 G677 I678 R682 K683 S684	Q504-L680 HydrophobicContact CB-CD1 4.27Å; Q504-L680 PolarHBondContact NE2-O 3.25Å; Q504-L680 PolarHBondContact OE1-O 2.92Å; S593-L680 WeakPolarHBondContact O-CD2 3.29Å; A594-L680 HydrophobicContact CB-CB 4.33Å; A594-L680 HydrophobicContact CB-CD2 3.99Å; L619-L680 HydrophobicContact CD2-CD2 4.01Å; D676-L680 WeakPolarHBondContact O-CB 3.46Å; D676-L680 PolarHBondContact O-N 3.38Å; G677-L680 WeakPolarHBondContact O-CB 3.48Å; G677-L680 PolarHBondContact O-N 3.25Å; G677-L680 VanDerWaalsContact O-N 3.15Å; I678-L680 VanDerWaalsContact C-N 3.29Å; I678-L680 PolarHBondContact O-N 2.7Å; L680-R682 VanDerWaalsContact C-N 3.29Å; L680-R682 PolarHBondContact O-N 3.36Å; L680-K683 PolarHBondContact O-N 3.31Å; L680-S684 PolarHBondContact O-N 3.46Å
681	V	93.3	Very high	94.5	Very high	16 Å²	16	53.1 Å²	53.1	10%	0.097	28%	0.276	C	S	.	.	H	α-helix	trans	-55.8	-44	178.9	171.3	0	0	0	0	111.8	L590 Y591 A594 M673 G677 I678 K683 S684	L590-V681 WeakPolarHBondContact O-CG1 3.5Å; Y591-V681 HydrophobicContact CD1-CG1 4.27Å; Y591-V681 HydrophobicContact CD1-CG2 3.86Å; Y591-V681 HydrophobicContact CD2-CG1 3.79Å; Y591-V681 HydrophobicContact CE1-CG1 4.17Å; Y591-V681 HydrophobicContact CE1-CG2 4.17Å; Y591-V681 HydrophobicContact CE2-CG1 3.65Å; Y591-V681 HydrophobicContact CG-CG1 4.07Å; Y591-V681 HydrophobicContact CG-CG2 4.12Å; A594-V681 HydrophobicContact CB-CG2 3.52Å; M673-V681 HydrophobicContact CE-CG2 4Å; G677-V681 WeakPolarHBondContact O-CG2 3.17Å; G677-V681 PolarHBondContact O-N 2.85Å; I678-V681 PolarHBondContact O-N 2.95Å; V681-K683 PolarHBondContact O-N 2.89Å; V681-K683 VanDerWaalsContact O-N 3.12Å; V681-S684 WeakPolarHBondContact O-CB 3.33Å; V681-S684 PolarHBondContact O-N 2.84Å; V681-S684 VanDerWaalsContact O-N 3.09Å; V681-S684 PolarHBondContact O-OG 3.23Å
682	R	91.2	Very high	94.9	Very high	187 Å²	187	49.2 Å²	49.2	71%	0.706	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.6	178.7	-72.5	177.3	176.2	168.1	0.6	114.8	I678 L680	I678-R682 WeakPolarHBondContact O-CG 2.99Å; I678-R682 PolarHBondContact O-N 3.45Å; L680-R682 VanDerWaalsContact C-N 3.29Å; L680-R682 PolarHBondContact O-N 3.36Å
683	K	92.8	Very high	95.3	Very high	155 Å²	155	48.8 Å²	48.8	67%	0.674	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.8	4.3	179.4	-67.9	176.1	-175.2	173.9	0	113	A679 L680 V681 H685	A679-K683 WeakPolarHBondContact O-CG 3.48Å; L680-K683 PolarHBondContact O-N 3.31Å; V681-K683 PolarHBondContact O-N 2.89Å; V681-K683 VanDerWaalsContact O-N 3.12Å; K683-H685 PolarHBondContact O-N 3.03Å
684	S	94.1	Very high	95.5	Very high	21 Å²	21	50.4 Å²	50.4	15%	0.147	26%	0.26	C	S	.	.			trans	-62.7	133.1	179.8	-50.9	0	0	0	0	110.3	S593 L680 V681	S593-S684 WeakPolarHBondContact CB-OG 3.33Å; S593-S684 PolarHBondContact OG-OG 2.97Å; L680-S684 PolarHBondContact O-N 3.46Å; V681-S684 WeakPolarHBondContact O-CB 3.33Å; V681-S684 PolarHBondContact O-N 2.84Å; V681-S684 VanDerWaalsContact O-N 3.09Å; V681-S684 PolarHBondContact O-OG 3.23Å
685	H	96.1	Very high	95.5	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.315	25%	0.252	S	S	.	.			trans	-76.9	135.5	179.5	-167	-81	0	0	0	110.4	N505 K683 C687 F688 V689	N505-H685 WeakPolarHBondContact OD1-CB 3.46Å; N505-H685 PolarHBondContact OD1-N 3.42Å; K683-H685 PolarHBondContact O-N 3.03Å; H685-C687 VanDerWaalsContact C-N 3.28Å; H685-C687 PolarHBondContact CE1-SG 2.7Å; H685-C687 WeakPolarHBondContact ND1-CB 3.44Å; H685-C687 PolarHBondContact ND1-N 3.38Å; H685-C687 PolarHBondContact O-N 3.13Å; H685-F688 WeakPolarHBondContact O-CB 3.49Å; H685-F688 PolarHBondContact O-N 3.08Å; H685-V689 PolarHBondContact O-N 2.92Å
686	Y	95.8	Very high	95.7	Very high	67 Å²	67	44.3 Å²	44.3	26%	0.263	22%	0.22	S	C	.	.	H	α-helix	trans	-56	-37.4	-176.6	57.5	-94.2	0	0	0	113.3	N82 A85 I86 W89 F688 V689 D690	N82-Y686 WeakPolarHBondContact OD1-CA 3.29Å; N82-Y686 VanDerWaalsContact OD1-CB 3.24Å; N82-Y686 WeakPolarHBondContact OD1-CB 3.25Å; A85-Y686 HydrophobicContact CB-CD1 3.67Å; A85-Y686 HydrophobicContact CB-CD2 3.89Å; A85-Y686 HydrophobicContact CB-CE1 4.07Å; A85-Y686 HydrophobicContact CB-CE2 4.28Å; A85-Y686 HydrophobicContact CB-CG 3.58Å; I86-Y686 HydrophobicContact CD1-CD2 3.6Å; I86-Y686 HydrophobicContact CD1-CE2 4.34Å; I86-Y686 HydrophobicContact CG1-CD2 3.85Å; W89-Y686 HydrophobicContact CB-CE2 3.77Å; W89-Y686 HydrophobicContact CG-CE2 4.05Å; Y686-F688 VanDerWaalsContact C-N 3.31Å; Y686-F688 PolarHBondContact O-N 3.37Å; Y686-V689 PolarHBondContact O-N 2.86Å; Y686-D690 PolarHBondContact O-N 3.34Å
687	C	96.4	Very high	95.8	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-36.6	173.4	-63.6	0	0	0	0	114.1	H685 T691	H685-C687 VanDerWaalsContact C-N 3.28Å; H685-C687 PolarHBondContact CE1-SG 2.7Å; H685-C687 WeakPolarHBondContact ND1-CB 3.44Å; H685-C687 PolarHBondContact ND1-N 3.38Å; H685-C687 PolarHBondContact O-N 3.13Å; C687-T691 WeakPolarHBondContact O-CB 3.47Å; C687-T691 PolarHBondContact O-N 3.32Å; C687-T691 VanDerWaalsContact O-N 3.1Å; C687-T691 PolarHBondContact O-OG1 2.86Å
688	F	97.7	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69	-45.9	176.9	168.9	-105.1	0	0	0	110.5	N505 A507 I522 N524 A592 H685 Y686 D690 T691 V692	N505-F688 HydrophobicContact CB-CB 4.06Å; N505-F688 HydrophobicContact CB-CG 4.21Å; N505-F688 VanDerWaalsContact O-CD2 3.26Å; N505-F688 WeakPolarHBondContact O-CD2 3.18Å; A507-F688 HydrophobicContact CB-CE2 3.87Å; A507-F688 HydrophobicContact CB-CZ 3.82Å; I522-F688 HydrophobicContact CB-CE2 4.41Å; I522-F688 HydrophobicContact CG2-CD2 3.89Å; I522-F688 HydrophobicContact CG2-CE2 3.95Å; N524-F688 VanDerWaalsContact O-CA 3.31Å; N524-F688 WeakPolarHBondContact O-CA 3.47Å; A592-F688 HydrophobicContact CB-CE1 4.04Å; A592-F688 HydrophobicContact CB-CZ 4.09Å; H685-F688 WeakPolarHBondContact O-CB 3.49Å; H685-F688 PolarHBondContact O-N 3.08Å; Y686-F688 VanDerWaalsContact C-N 3.31Å; Y686-F688 PolarHBondContact O-N 3.37Å; F688-D690 PolarHBondContact O-N 3.04Å; F688-T691 PolarHBondContact O-N 2.74Å; F688-V692 HydrophobicContact CD2-CG2 4.2Å; F688-V692 HydrophobicContact CE1-CG2 4.23Å; F688-V692 HydrophobicContact CE2-CG2 3.73Å; F688-V692 HydrophobicContact CZ-CG2 3.75Å; F688-V692 WeakPolarHBondContact O-CG2 3.23Å; F688-V692 PolarHBondContact O-N 2.94Å
689	V	97.7	Very high	96	Very high	13 Å²	13	39.1 Å²	39.1	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-57.4	-49.6	175.9	179	0	0	0	0	110.8	A589 L590 H685 Y686 T691 V692 Q693	A589-V689 HydrophobicContact CB-CG1 4.01Å; L590-V689 HydrophobicContact CD2-CG1 4.1Å; L590-V689 HydrophobicContact CG-CG1 4.41Å; H685-V689 PolarHBondContact O-N 2.92Å; Y686-V689 PolarHBondContact O-N 2.86Å; V689-T691 VanDerWaalsContact C-N 3.29Å; V689-T691 PolarHBondContact O-N 3.25Å; V689-V692 PolarHBondContact O-N 3.34Å; V689-Q693 VanDerWaalsContact O-CB 3.25Å; V689-Q693 WeakPolarHBondContact O-CB 3.29Å; V689-Q693 PolarHBondContact O-N 3.44Å
690	D	97.3	Very high	96.2	Very high	36 Å²	36	40.6 Å²	40.6	19%	0.193	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-37.6	177.6	-174.9	74.6	0	0	0	112.4	I86 K90 Y686 F688 S694	I86-D690 HydrophobicContact CD1-CB 3.3Å; I86-D690 HydrophobicContact CG1-CB 3.78Å; K90-D690 WeakPolarHBondContact CE-OD2 3.36Å; K90-D690 IonicContact NZ-OD1 3.68Å; K90-D690 PolarHBondContact NZ-OD1 3.04Å; K90-D690 VanDerWaalsContact NZ-OD1 3.07Å; K90-D690 IonicContact NZ-OD2 2.89Å; K90-D690 PolarHBondContact NZ-OD2 3.07Å; Y686-D690 PolarHBondContact O-N 3.34Å; F688-D690 PolarHBondContact O-N 3.04Å; D690-S694 WeakPolarHBondContact O-CB 3.42Å; D690-S694 PolarHBondContact O-N 2.92Å; D690-S694 PolarHBondContact O-OG 2.94Å
691	T	97.9	Very high	96.3	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-44.1	-179.5	-58.3	0	0	0	0	112	I522 N524 S525 C527 C687 F688 V689 S694 L695	I522-T691 HydrophobicContact CG2-CG2 3.67Å; N524-T691 PolarHBondContact O-OG1 3.39Å; N524-T691 VanDerWaalsContact O-OG1 3.11Å; S525-T691 WeakPolarHBondContact CA-OG1 3.46Å; C527-T691 WeakPolarHBondContact SG-CG2 3.49Å; C687-T691 WeakPolarHBondContact O-CB 3.47Å; C687-T691 PolarHBondContact O-N 3.32Å; C687-T691 VanDerWaalsContact O-N 3.1Å; C687-T691 PolarHBondContact O-OG1 2.86Å; F688-T691 PolarHBondContact O-N 2.74Å; V689-T691 VanDerWaalsContact C-N 3.29Å; V689-T691 PolarHBondContact O-N 3.25Å; T691-S694 PolarHBondContact O-N 2.61Å; T691-L695 HydrophobicContact CG2-CD1 4.45Å; T691-L695 WeakPolarHBondContact O-CG 3.08Å; T691-L695 PolarHBondContact O-N 3.38Å
692	V	98.3	Very high	96.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-62.3	-48.5	174.7	174	0	0	0	0	110.2	L499 I522 A589 A592 F688 V689 S694 L695 L696	L499-V692 HydrophobicContact CD1-CG1 4.44Å; L499-V692 HydrophobicContact CD2-CG1 3.61Å; I522-V692 HydrophobicContact CD1-CG2 3.87Å; I522-V692 HydrophobicContact CG2-CG2 4.37Å; A589-V692 HydrophobicContact CB-CB 4.12Å; A589-V692 HydrophobicContact CB-CG1 3.96Å; A592-V692 HydrophobicContact CB-CB 4.48Å; A592-V692 HydrophobicContact CB-CG1 3.92Å; A592-V692 HydrophobicContact CB-CG2 4.13Å; F688-V692 HydrophobicContact CD2-CG2 4.2Å; F688-V692 HydrophobicContact CE1-CG2 4.23Å; F688-V692 HydrophobicContact CE2-CG2 3.73Å; F688-V692 HydrophobicContact CZ-CG2 3.75Å; F688-V692 WeakPolarHBondContact O-CG2 3.23Å; F688-V692 PolarHBondContact O-N 2.94Å; V689-V692 PolarHBondContact O-N 3.34Å; V692-S694 VanDerWaalsContact C-N 3.35Å; V692-S694 PolarHBondContact O-N 3.38Å; V692-L695 PolarHBondContact O-N 2.98Å; V692-L696 HydrophobicContact CG1-CD1 3.95Å; V692-L696 HydrophobicContact CG1-CG 4.43Å; V692-L696 WeakPolarHBondContact O-CG 3.25Å; V692-L696 PolarHBondContact O-N 2.91Å
693	Q	97.8	Very high	96.7	Very high	42 Å²	42	29 Å²	29	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-58.3	-47.4	178.7	-171.8	-88.7	5.7	0	0	111.1	D586 A589 V689 L695 L696 S697	D586-Q693 WeakPolarHBondContact OD1-CG 3.1Å; D586-Q693 PolarHBondContact OD1-NE2 3.34Å; A589-Q693 HydrophobicContact CB-CB 3.63Å; A589-Q693 HydrophobicContact CB-CG 4.39Å; V689-Q693 VanDerWaalsContact O-CB 3.25Å; V689-Q693 WeakPolarHBondContact O-CB 3.29Å; V689-Q693 PolarHBondContact O-N 3.44Å; Q693-L695 VanDerWaalsContact C-N 3.33Å; Q693-L695 PolarHBondContact O-N 3.42Å; Q693-L696 PolarHBondContact O-N 3.38Å; Q693-S697 WeakPolarHBondContact O-CB 3.34Å; Q693-S697 PolarHBondContact O-N 3.1Å; Q693-S697 PolarHBondContact O-OG 3.48Å
694	S	96.9	Very high	96.8	Very high	51 Å²	51	21.7 Å²	21.7	36%	0.357	12%	0.115	S	C	.	.	H	α-helix	trans	-61.9	-40.2	-179.7	-66.7	0	0	0	0	111.8	D690 T691 V692 A698	D690-S694 WeakPolarHBondContact O-CB 3.42Å; D690-S694 PolarHBondContact O-N 2.92Å; D690-S694 PolarHBondContact O-OG 2.94Å; T691-S694 PolarHBondContact O-N 2.61Å; V692-S694 VanDerWaalsContact C-N 3.35Å; V692-S694 PolarHBondContact O-N 3.38Å; S694-A698 WeakPolarHBondContact O-CB 3.45Å; S694-A698 PolarHBondContact O-N 3.18Å
695	L	97.8	Very high	96.6	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	12%	0.119	C	C	.	.	H	α-helix	trans	-67.5	-42.4	176.7	-76.7	172	0	0	0	112.3	Y509 I520 I522 F562 T691 V692 Q693 A698 T699	Y509-L695 HydrophobicContact CD1-CB 4.38Å; I520-L695 HydrophobicContact CD1-CD2 4.19Å; I520-L695 HydrophobicContact CG2-CD1 4.1Å; I522-L695 HydrophobicContact CD1-CD1 3.5Å; I522-L695 VanDerWaalsContact CD1-CD1 3.5Å; I522-L695 HydrophobicContact CG1-CD1 3.72Å; F562-L695 HydrophobicContact CE1-CD2 4.25Å; T691-L695 HydrophobicContact CG2-CD1 4.45Å; T691-L695 WeakPolarHBondContact O-CG 3.08Å; T691-L695 PolarHBondContact O-N 3.38Å; V692-L695 PolarHBondContact O-N 2.98Å; Q693-L695 VanDerWaalsContact C-N 3.33Å; Q693-L695 PolarHBondContact O-N 3.42Å; L695-A698 PolarHBondContact O-N 3.1Å; L695-T699 WeakPolarHBondContact O-CB 3.44Å; L695-T699 WeakPolarHBondContact O-CG2 3.35Å; L695-T699 PolarHBondContact O-N 2.73Å; L695-T699 PolarHBondContact O-OG1 2.96Å
696	L	98.1	Very high	96.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-47.4	175.9	-69.5	173	0	0	0	110.8	L499 Y509 Y585 M588 V692 Q693 A698 T699 R700 P701	L499-L696 HydrophobicContact CD2-CD1 4.31Å; Y509-L696 HydrophobicContact CE2-CD2 4.09Å; Y585-L696 HydrophobicContact CD1-CB 3.67Å; Y585-L696 HydrophobicContact CD1-CD1 4.11Å; Y585-L696 HydrophobicContact CD1-CG 4.32Å; Y585-L696 HydrophobicContact CD2-CB 4.34Å; Y585-L696 HydrophobicContact CE1-CB 4.16Å; Y585-L696 HydrophobicContact CG-CB 3.79Å; M588-L696 HydrophobicContact CB-CD1 4Å; M588-L696 HydrophobicContact CE-CD1 3.89Å; M588-L696 HydrophobicContact CE-CD2 4.07Å; V692-L696 HydrophobicContact CG1-CD1 3.95Å; V692-L696 HydrophobicContact CG1-CG 4.43Å; V692-L696 WeakPolarHBondContact O-CG 3.25Å; V692-L696 PolarHBondContact O-N 2.91Å; Q693-L696 PolarHBondContact O-N 3.38Å; L696-A698 VanDerWaalsContact C-N 3.32Å; L696-A698 PolarHBondContact O-N 3.48Å; L696-T699 PolarHBondContact O-N 3.29Å; L696-T699 PolarHBondContact O-OG1 2.92Å; L696-R700 WeakPolarHBondContact O-CA 3.21Å; L696-R700 PolarHBondContact O-N 3.03Å; L696-P701 HydrophobicContact CD2-CG 3.91Å; L696-P701 VanDerWaalsContact O-CD 3.26Å; L696-P701 WeakPolarHBondContact O-CD 3.37Å
697	S	97	Very high	96.6	Very high	31 Å²	31	17.6 Å²	17.6	22%	0.217	10%	0.101	C	C	.	.	H	α-helix	trans	-65	-32.2	176.7	-69.5	0	0	0	0	113	Q582 Q693 R700	Q582-S697 PolarHBondContact NE2-OG 2.93Å; Q582-S697 PolarHBondContact OE1-OG 3.33Å; Q693-S697 WeakPolarHBondContact O-CB 3.34Å; Q693-S697 PolarHBondContact O-N 3.1Å; Q693-S697 PolarHBondContact O-OG 3.48Å; S697-R700 WeakPolarHBondContact O-CG 3.34Å
698	A	96.5	Very high	96.6	Very high	23 Å²	23	18.3 Å²	18.3	19%	0.19	11%	0.105	C	C	.	.	H	α-helix	trans	-78.2	-28.2	177.7	0	0	0	0	0	113.3	F562 V563 S694 L695 L696	F562-A698 CarbonylContact C-O 3.51Å; F562-A698 WeakPolarHBondContact CA-O 3.46Å; F562-A698 HydrophobicContact CD1-CB 3.82Å; F562-A698 HydrophobicContact CE1-CB 4.43Å; V563-A698 PolarHBondContact N-O 2.94Å; S694-A698 WeakPolarHBondContact O-CB 3.45Å; S694-A698 PolarHBondContact O-N 3.18Å; L695-A698 PolarHBondContact O-N 3.1Å; L696-A698 VanDerWaalsContact C-N 3.32Å; L696-A698 PolarHBondContact O-N 3.48Å
699	T	96.8	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-96.7	-22.3	179.2	54.7	0	0	0	0	113.2	F494 Y509 I561 F562 V563 L695 L696 P701	F494-T699 VanDerWaalsContact CE2-O 3.28Å; F494-T699 WeakPolarHBondContact CE2-O 3.48Å; Y509-T699 HydrophobicContact CE1-CG2 4.08Å; Y509-T699 PolarHBondContact OH-OG1 2.8Å; I561-T699 HydrophobicContact CD1-CG2 3.68Å; F562-T699 HydrophobicContact CD1-CG2 3.87Å; F562-T699 HydrophobicContact CE1-CG2 4.04Å; V563-T699 VanDerWaalsContact CG2-O 3.29Å; V563-T699 WeakPolarHBondContact CG2-O 3.43Å; L695-T699 WeakPolarHBondContact O-CB 3.44Å; L695-T699 WeakPolarHBondContact O-CG2 3.35Å; L695-T699 PolarHBondContact O-N 2.73Å; L695-T699 PolarHBondContact O-OG1 2.96Å; L696-T699 PolarHBondContact O-N 3.29Å; L696-T699 PolarHBondContact O-OG1 2.92Å; T699-P701 WeakPolarHBondContact OG1-CD 2.99Å
700	R	97.1	Very high	96.5	Very high	73 Å²	73	19.8 Å²	19.8	28%	0.275	11%	0.114	S	C	.	.			trans	46.2	52.6	-179.1	-62.1	-173	61.6	-161.9	3.1	114.1	V563 E581 Y585 L696 S697 L702 V703 F704	V563-R700 HydrophobicContact CB-CG 4.45Å; V563-R700 HydrophobicContact CG2-CB 4.12Å; E581-R700 VanDerWaalsContact OE1-CB 3.31Å; E581-R700 WeakPolarHBondContact OE1-CB 3.48Å; E581-R700 IonicContact OE1-CZ 3.07Å; E581-R700 IonicContact OE1-NE 3.12Å; E581-R700 PolarHBondContact OE1-NE 2.9Å; E581-R700 VanDerWaalsContact OE1-NE 3.09Å; E581-R700 IonicContact OE1-NH2 3.83Å; E581-R700 IonicContact OE2-CZ 3.72Å; E581-R700 IonicContact OE2-NE 3.75Å; E581-R700 PolarHBondContact OE2-NE 2.62Å; E581-R700 IonicContact OE2-NH2 3.74Å; E581-R700 PolarHBondContact OE2-NH2 2.92Å; Y585-R700 VanDerWaalsContact OH-CA 3.24Å; Y585-R700 WeakPolarHBondContact OH-CA 3.21Å; L696-R700 WeakPolarHBondContact O-CA 3.21Å; L696-R700 PolarHBondContact O-N 3.03Å; S697-R700 WeakPolarHBondContact O-CG 3.34Å; R700-L702 PolarHBondContact O-N 3.09Å; R700-L702 VanDerWaalsContact O-N 3.14Å; R700-V703 PolarHBondContact O-N 3.11Å; R700-V703 VanDerWaalsContact O-N 3.1Å; R700-F704 HydrophobicContact CB-CD2 3.72Å; R700-F704 HydrophobicContact CB-CE2 4.02Å; R700-F704 WeakPolarHBondContact O-CD2 3.3Å; R700-F704 PolarHBondContact O-N 3.43Å; R700-F704 VanDerWaalsContact O-N 3.13Å
701	P	96.8	Very high	96.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.4	-28.4	-171.4	27	-36.2	0	0	0	113.3	W497 Y509 Y585 L696 T699 V703 S705	W497-P701 HydrophobicContact CB-CB 4.35Å; W497-P701 VanDerWaalsContact CD1-CB 3.43Å; W497-P701 HydrophobicContact CD2-CB 3.81Å; W497-P701 HydrophobicContact CD2-CG 4.3Å; W497-P701 HydrophobicContact CG-CB 3.61Å; Y509-P701 WeakPolarHBondContact OH-CG 3.38Å; Y585-P701 HydrophobicContact CE1-CG 3.92Å; Y585-P701 WeakPolarHBondContact OH-CD 3.37Å; L696-P701 HydrophobicContact CD2-CG 3.91Å; L696-P701 VanDerWaalsContact O-CD 3.26Å; L696-P701 WeakPolarHBondContact O-CD 3.37Å; T699-P701 WeakPolarHBondContact OG1-CD 2.99Å; P701-V703 VanDerWaalsContact C-N 3.26Å; P701-V703 PolarHBondContact O-N 3.18Å; P701-S705 WeakPolarHBondContact O-CB 3.45Å; P701-S705 PolarHBondContact O-N 2.7Å; P701-S705 VanDerWaalsContact O-N 3.16Å; P701-S705 PolarHBondContact O-OG 3Å
702	L	96.3	Very high	96.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-73.6	-12.8	179.9	-65.6	168.4	0	0	0	114.5	W497 A584 Y585 M588 N603 L611 L613 R700	W497-L702 HydrophobicContact CH2-CD2 4.46Å; W497-L702 HydrophobicContact CZ2-CD2 3.75Å; W497-L702 HydrophobicContact CZ2-CG 4.4Å; A584-L702 HydrophobicContact CB-CD1 4.01Å; Y585-L702 HydrophobicContact CD1-CD1 3.96Å; Y585-L702 HydrophobicContact CE1-CB 4.25Å; Y585-L702 HydrophobicContact CE1-CD1 3.38Å; Y585-L702 HydrophobicContact CE1-CG 3.68Å; Y585-L702 WeakPolarHBondContact OH-CB 3.4Å; Y585-L702 PolarHBondContact OH-N 2.93Å; M588-L702 HydrophobicContact SD-CD1 4.42Å; N603-L702 PolarHBondContact ND2-O 2.91Å; L611-L702 HydrophobicContact CD1-CD1 4.05Å; L611-L702 HydrophobicContact CD2-CB 4.23Å; L611-L702 HydrophobicContact CD2-CD1 4.45Å; L613-L702 HydrophobicContact CB-CD2 4.17Å; L613-L702 HydrophobicContact CD2-CD2 4.17Å; R700-L702 PolarHBondContact O-N 3.09Å; R700-L702 VanDerWaalsContact O-N 3.14Å
703	V	95.9	Very high	96.2	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-107.8	-32.4	177.9	170.4	0	0	0	0	111.6	I573 C574 K576 E581 R700 P701	I573-V703 HydrophobicContact CB-CG1 4.01Å; I573-V703 HydrophobicContact CG2-CG1 4.3Å; C574-V703 PolarHBondContact N-O 3Å; K576-V703 HydrophobicContact CB-CG2 3.83Å; K576-V703 HydrophobicContact CG-CG2 3.89Å; E581-V703 VanDerWaalsContact CD-CG2 3.41Å; E581-V703 HydrophobicContact CG-CG2 4.35Å; E581-V703 WeakPolarHBondContact OE1-CG2 3.34Å; E581-V703 VanDerWaalsContact OE2-CG2 3.31Å; E581-V703 WeakPolarHBondContact OE2-CG2 3.2Å; R700-V703 PolarHBondContact O-N 3.11Å; R700-V703 VanDerWaalsContact O-N 3.1Å; P701-V703 VanDerWaalsContact C-N 3.26Å; P701-V703 PolarHBondContact O-N 3.18Å
704	F	94.3	Very high	96.1	Very high	3 Å²	3	18.9 Å²	18.9	1%	0.013	11%	0.113	C	C	.	.	H	α-helix	trans	-105.4	10.7	-173.4	-68.7	-89	0	0	0	114	F492 P493 F494 V563 T567 V571 I573 R700	F492-F704 HydrophobicContact CD1-CB 4.01Å; F492-F704 HydrophobicContact CD1-CD1 4.01Å; F492-F704 HydrophobicContact CD1-CG 4.24Å; F492-F704 HydrophobicContact CE1-CB 4.24Å; F492-F704 HydrophobicContact CE1-CD1 4.33Å; F492-F704 HydrophobicContact CE1-CG 4.31Å; P493-F704 CarbonylContact C-O 3.47Å; P493-F704 WeakPolarHBondContact CA-O 3.07Å; P493-F704 WeakPolarHBondContact CB-O 3.43Å; F494-F704 HydrophobicContact CD2-CB 4.24Å; F494-F704 HydrophobicContact CE2-CB 4.2Å; F494-F704 PolarHBondContact N-O 2.73Å; V563-F704 HydrophobicContact CB-CE2 4.19Å; V563-F704 HydrophobicContact CG1-CD2 4.31Å; V563-F704 HydrophobicContact CG1-CE1 4.45Å; V563-F704 HydrophobicContact CG1-CE2 3.49Å; V563-F704 VanDerWaalsContact CG1-CE2 3.49Å; V563-F704 HydrophobicContact CG1-CZ 3.57Å; V563-F704 HydrophobicContact CG2-CD1 4.41Å; V563-F704 HydrophobicContact CG2-CD2 3.56Å; V563-F704 HydrophobicContact CG2-CE1 4.47Å; V563-F704 HydrophobicContact CG2-CE2 3.63Å; V563-F704 HydrophobicContact CG2-CG 3.97Å; V563-F704 HydrophobicContact CG2-CZ 4.1Å; T567-F704 HydrophobicContact CG2-CD1 3.94Å; T567-F704 HydrophobicContact CG2-CE1 3.34Å; T567-F704 HydrophobicContact CG2-CZ 3.93Å; V571-F704 HydrophobicContact CG1-CD1 4.26Å; I573-F704 HydrophobicContact CG2-CD1 3.72Å; I573-F704 HydrophobicContact CG2-CE1 3.33Å; I573-F704 HydrophobicContact CG2-CZ 3.85Å; R700-F704 HydrophobicContact CB-CD2 3.72Å; R700-F704 HydrophobicContact CB-CE2 4.02Å; R700-F704 WeakPolarHBondContact O-CD2 3.3Å; R700-F704 PolarHBondContact O-N 3.43Å; R700-F704 VanDerWaalsContact O-N 3.13Å
705	S	89.4	Confident	96	Very high	34 Å²	34	16 Å²	16	24%	0.238	9%	0.091	C	C	.	.			trans	-111.3	0	172.9	78.3	0	0	0	0	114	W497 C574 P701	W497-S705 PolarHBondContact NE1-OG 3.45Å; C574-S705 PolarHBondContact SG-O 3.19Å; C574-S705 VanDerWaalsContact SG-O 3.38Å; P701-S705 WeakPolarHBondContact O-CB 3.45Å; P701-S705 PolarHBondContact O-N 2.7Å; P701-S705 VanDerWaalsContact O-N 3.16Å; P701-S705 PolarHBondContact O-OG 3Å

Retrieved 705 of 705 residues in 1175.9 ms (Link to these results)

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