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Glycogen [starch] synthase

Glycogen synthase participates in the glycogen biosynthetic process along with glycogenin and glycogen branching enzyme. Extends the primer composed of a few glucose units formed by glycogenin by adding new glucose units to it. In this context, glycogen synthase transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan. Transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan.

AlphaFold DB , UniProt , Accession A0A061I228, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gys1, Length 738 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26	Very low	29.1	Very low	238 Å²	238	136 Å²	136	100%	1.172	75%	0.745	S	S	*	*				0	113.4	0	-67.3	-171.2	-171	0	0	107.5
2	P	27.8	Very low	30.4	Very low	131 Å²	131	125.2 Å²	125.2	85%	0.851	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-84.9	132.9	171.4	28.3	-18.5	0	0	0	109.3
3	L	23.3	Very low	31	Very low	172 Å²	172	119.6 Å²	119.6	90%	0.901	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.8	141.7	-178.2	-76.6	148.8	0	0	0	111.3
4	S	24.3	Very low	31.6	Very low	113 Å²	113	114.1 Å²	114.1	79%	0.79	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-55.9	143	-177.5	48.2	0	0	0	0	114.2
5	R	26.2	Very low	32.1	Very low	243 Å²	243	108.8 Å²	108.8	92%	0.917	61%	0.613	S	S	*	*			trans	-36.8	129.2	169.2	-66.1	172.7	173.1	174.7	-4.9	112.4	L7	R5-L7 PolarHBondContact O-N 3.35Å
6	S	23.7	Very low	32.3	Very low	117 Å²	117	111.5 Å²	111.5	82%	0.818	62%	0.619	S	S	*	*			trans	-71.1	115.9	168.1	59.6	0	0	0	0	109.6	S8	S6-S8 PolarHBondContact O-N 3.48Å
7	L	25	Very low	32.8	Very low	164 Å²	164	113 Å²	113	86%	0.859	63%	0.626	S	S	*	*			trans	-64.6	111	169.7	-79.1	153.6	0	0	0	109.6	R5 M9	R5-L7 PolarHBondContact O-N 3.35Å; L7-M9 PolarHBondContact O-N 3.08Å; L7-M9 VanDerWaalsContact O-N 3.09Å
8	S	30.6	Very low	33.2	Very low	80 Å²	80	114.3 Å²	114.3	56%	0.559	62%	0.62	S	S	*	*			trans	-72	90.4	165.8	156.3	0	0	0	0	108	S6 S10 K599	S6-S8 PolarHBondContact O-N 3.48Å; S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 VanDerWaalsContact O-N 3.17Å; S8-K599 PolarHBondContact OG-NZ 2.68Å; S8-K599 VanDerWaalsContact OG-NZ 3.15Å
9	M	31.8	Very low	33.6	Very low	162 Å²	162	116.8 Å²	116.8	80%	0.798	63%	0.627	S	S	*	*			trans	-67.2	112.5	172	-69.9	-149.7	73.7	0	0	110	L7	L7-M9 PolarHBondContact O-N 3.08Å; L7-M9 VanDerWaalsContact O-N 3.09Å
10	S	40	Very low	34.1	Very low	50 Å²	50	116.3 Å²	116.3	35%	0.35	62%	0.624	S	S	.	*			trans	-62.7	141	162.3	55.5	0	0	0	0	108.5	S8 L12	S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 VanDerWaalsContact O-N 3.17Å; S10-L12 PolarHBondContact O-N 2.81Å
11	S	41.2	Very low	34.7	Very low	26 Å²	26	119.4 Å²	119.4	18%	0.182	64%	0.635	C	S	.	*	S	Bend	trans	-80.4	2.8	179.1	74.2	0	0	0	0	113.1	P13 D594 R685	S11-P13 VanDerWaalsContact O-CD 3.31Å; S11-P13 WeakPolarHBondContact O-CD 3.27Å; S11-D594 VanDerWaalsContact CB-OD2 3.3Å; S11-D594 WeakPolarHBondContact CB-OD2 3.44Å; S11-D594 PolarHBondContact N-OD2 3.03Å; S11-D594 PolarHBondContact OG-OD2 3.27Å; S11-R685 WeakPolarHBondContact O-CG 3.44Å
12	L	45.3	Very low	36.2	Very low	6 Å²	6	110.2 Å²	110.2	3%	0.031	59%	0.588	C	S	.	*	S	Bend	trans	-100.6	102.7	-178.8	-62.3	-175.1	0	0	0	109.2	S10 L15 D594 L595 Y634 Y636 I688	S10-L12 PolarHBondContact O-N 2.81Å; L12-L15 HydrophobicContact CB-CD1 3.43Å; L12-L15 VanDerWaalsContact CB-CD1 3.43Å; L12-L15 HydrophobicContact CD1-CD1 3.61Å; L12-L15 HydrophobicContact CG-CD1 4.12Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-D594 HydrophobicContact CD1-CB 4.48Å; L12-D594 HydrophobicContact CG-CB 4.49Å; L12-L595 HydrophobicContact CD1-CD2 4.08Å; L12-Y634 HydrophobicContact CD2-CE2 4.08Å; L12-Y634 WeakPolarHBondContact CD2-OH 3.44Å; L12-Y636 HydrophobicContact CD2-CE2 4.23Å; L12-I688 HydrophobicContact CD2-CD1 3.94Å
13	P	37.1	Very low	37.6	Very low	53 Å²	53	108.5 Å²	108.5	34%	0.344	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.9	137.1	176.3	17.4	-21.5	0	0	0	110.9	S11 R685 I688	S11-P13 VanDerWaalsContact O-CD 3.31Å; S11-P13 WeakPolarHBondContact O-CD 3.27Å; P13-R685 HydrophobicContact CG-CB 4.28Å; P13-R685 WeakPolarHBondContact CG-O 3.29Å; P13-I688 HydrophobicContact CG-CB 3.9Å; P13-I688 HydrophobicContact CG-CG2 3.99Å
14	G	39.9	Very low	39.6	Very low	43 Å²	43	101.4 Å²	101.4	44%	0.443	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	2.3	-175.7	0	0	0	0	0	114.9	E16	G14-E16 PolarHBondContact O-N 3.24Å
15	L	39.1	Very low	41.6	Very low	34 Å²	34	103.7 Å²	103.7	18%	0.178	53%	0.534	C	S	.	.			trans	-79.8	34	163.4	-112.2	111.6	0	0	0	111.7	L12 D17 Y600 R603	L12-L15 HydrophobicContact CB-CD1 3.43Å; L12-L15 VanDerWaalsContact CB-CD1 3.43Å; L12-L15 HydrophobicContact CD1-CD1 3.61Å; L12-L15 HydrophobicContact CG-CD1 4.12Å; L12-L15 PolarHBondContact O-N 3.39Å; L15-D17 PolarHBondContact O-N 3.11Å; L15-Y600 HydrophobicContact CD1-CD2 4.28Å; L15-R603 VanDerWaalsContact CG-NH2 3.33Å
16	E	35.6	Very low	44.3	Very low	152 Å²	152	95.7 Å²	95.7	71%	0.71	51%	0.51	S	S	*	.			trans	-53	138.2	165	-78.3	-177.3	170.3	0	0	108	G14 W18	G14-E16 PolarHBondContact O-N 3.24Å; E16-W18 PolarHBondContact O-N 3.2Å
17	D	40.9	Very low	47.6	Very low	137 Å²	137	90.2 Å²	90.2	73%	0.733	47%	0.472	S	S	*	.			trans	-44.2	124.2	-175.9	-67.4	-49.4	0	0	0	108.8	L15 E19	L15-D17 PolarHBondContact O-N 3.11Å; D17-E19 HydrophobicContact CB-CG 3.99Å; D17-E19 PolarHBondContact O-N 3.39Å
18	W	40.4	Very low	50.9	Low	137 Å²	137	83 Å²	83	52%	0.519	43%	0.434	S	S	.	.			trans	-63.3	81.3	158	-82.7	66.6	0	0	0	105.2	E16 D20 W693	E16-W18 PolarHBondContact O-N 3.2Å; W18-D20 HydrophobicContact CE3-CB 4.39Å; W18-D20 PolarHBondContact O-N 2.96Å; W18-W693 AromaticContact CH2-CD1 3.37Å; W18-W693 HydrophobicContact CH2-CG 4.26Å; W18-W693 AromaticContact CH2-NE1 3.35Å; W18-W693 VanDerWaalsContact CH2-NE1 3.35Å; W18-W693 AromaticContact CZ2-CD1 3.68Å; W18-W693 HydrophobicContact CZ2-CG 4.15Å; W18-W693 AromaticContact CZ2-NE1 3.72Å
19	E	40.2	Very low	54.1	Low	161 Å²	161	79.1 Å²	79.1	75%	0.752	41%	0.407	S	S	*	.			trans	-68.9	23	165.2	-67.5	-173.5	159	0	0	110.5	D17 E21	D17-E19 HydrophobicContact CB-CG 3.99Å; D17-E19 PolarHBondContact O-N 3.39Å; E19-E21 PolarHBondContact O-N 3.42Å
20	D	43.4	Very low	57.3	Low	106 Å²	106	71.4 Å²	71.4	57%	0.567	37%	0.369	S	S	*	.			trans	-74.5	76.1	151.9	-73.7	-30.2	0	0	0	105.3	W18 F22	W18-D20 HydrophobicContact CE3-CB 4.39Å; W18-D20 PolarHBondContact O-N 2.96Å; D20-F22 PolarHBondContact O-N 3.18Å
21	E	47.3	Very low	60.1	Low	182 Å²	182	69 Å²	69	85%	0.85	35%	0.353	S	S	*	.			trans	-56.1	89.2	166.5	-83.2	-178.6	154.3	0	0	106.8	E19 D23	E19-E21 PolarHBondContact O-N 3.42Å; E21-D23 PolarHBondContact O-N 3.08Å
22	F	56	Low	62.8	Low	46 Å²	46	67.8 Å²	67.8	20%	0.202	34%	0.344	C	S	.	.			trans	-62.4	99.8	156.3	173.3	-101.7	0	0	0	105.1	D20 P24 A27 W58 H610 L613 F621	D20-F22 PolarHBondContact O-N 3.18Å; F22-P24 HydrophobicContact CD1-CB 4.15Å; F22-P24 HydrophobicContact CD1-CG 4.33Å; F22-P24 HydrophobicContact CE1-CB 3.84Å; F22-P24 WeakPolarHBondContact O-CD 3.4Å; F22-A27 HydrophobicContact CZ-CB 4.2Å; F22-W58 AromaticContact CE1-CH2 3.91Å; F22-W58 HydrophobicContact CE1-CH2 3.91Å; F22-W58 HydrophobicContact CE1-CZ2 4.02Å; F22-W58 HydrophobicContact CE1-CZ3 4.5Å; F22-W58 HydrophobicContact CZ-CH2 4.38Å; F22-H610 WeakPolarHBondContact CB-NE2 3.46Å; F22-H610 AromaticContact CD1-NE2 3.72Å; F22-H610 AromaticContact CD2-CD2 3.75Å; F22-H610 AromaticContact CD2-CE1 3.97Å; F22-H610 AromaticContact CD2-NE2 3.26Å; F22-H610 VanDerWaalsContact CD2-NE2 3.26Å; F22-H610 WeakPolarHBondContact CD2-NE2 3.45Å; F22-H610 AromaticContact CE2-CD2 3.96Å; F22-H610 AromaticContact CE2-NE2 3.91Å; F22-H610 AromaticContact CG-CE1 3.9Å; F22-H610 AromaticContact CG-NE2 3.14Å; F22-H610 WeakPolarHBondContact CG-NE2 3.26Å; F22-L613 HydrophobicContact CE2-CD1 3.82Å; F22-L613 HydrophobicContact CZ-CD1 3.5Å; F22-L613 VanDerWaalsContact CZ-CD1 3.5Å; F22-F621 HydrophobicContact CE2-CD1 4.17Å; F22-F621 AromaticContact CE2-CE1 3.76Å; F22-F621 HydrophobicContact CE2-CE1 3.76Å; F22-F621 HydrophobicContact CZ-CE1 4.27Å
23	D	59	Low	65.3	Low	94 Å²	94	67.6 Å²	67.6	50%	0.503	34%	0.343	S	S	.	.			trans	-72.3	104.8	175	-171.9	-2.9	0	0	0	108.4	E21 E25	E21-D23 PolarHBondContact O-N 3.08Å; D23-E25 PolarHBondContact O-N 3.16Å; D23-E25 WeakPolarHBondContact OD1-CB 3.33Å; D23-E25 WeakPolarHBondContact OD1-CG 3.32Å; D23-E25 PolarHBondContact OD1-N 3.24Å
24	P	64.3	Low	68.3	Low	23 Å²	23	67 Å²	67	15%	0.149	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-78.6	11.2	179.2	14.2	4.4	0	0	0	111.3	F22 N26 A27 W58 N61	F22-P24 HydrophobicContact CD1-CB 4.15Å; F22-P24 HydrophobicContact CD1-CG 4.33Å; F22-P24 HydrophobicContact CE1-CB 3.84Å; F22-P24 WeakPolarHBondContact O-CD 3.4Å; P24-N26 PolarHBondContact O-N 3.34Å; P24-A27 PolarHBondContact O-N 3.16Å; P24-W58 HydrophobicContact CB-CE3 4.14Å; P24-W58 HydrophobicContact CB-CZ3 4.35Å; P24-N61 PolarHBondContact O-ND2 3.2Å; P24-N61 VanDerWaalsContact O-ND2 3.16Å
25	E	67.1	Low	71	Confident	161 Å²	161	65.9 Å²	65.9	75%	0.752	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-49.1	-30.5	-172.5	-96.3	-179.2	-169	0	0	113.6	D23	D23-E25 PolarHBondContact O-N 3.16Å; D23-E25 WeakPolarHBondContact OD1-CB 3.33Å; D23-E25 WeakPolarHBondContact OD1-CG 3.32Å; D23-E25 PolarHBondContact OD1-N 3.24Å
26	N	83.1	Confident	73.8	Confident	75 Å²	75	64.3 Å²	64.3	40%	0.401	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-118.5	21.3	175.5	-161.1	18	0	0	0	115.1	P24 Y174	P24-N26 PolarHBondContact O-N 3.34Å; N26-Y174 HydrophobicContact CB-CD2 4.49Å; N26-Y174 WeakPolarHBondContact O-CD2 3.37Å; N26-Y174 PolarHBondContact O-N 2.69Å
27	A	91.9	Very high	76.6	Confident	3 Å²	3	57.1 Å²	57.1	3%	0.025	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.7	177.5	0	0	0	0	0	112	F22 P24 W58 N61 Y174	F22-A27 HydrophobicContact CZ-CB 4.2Å; P24-A27 PolarHBondContact O-N 3.16Å; A27-W58 HydrophobicContact CB-CH2 4.07Å; A27-W58 HydrophobicContact CB-CZ3 3.75Å; A27-N61 WeakPolarHBondContact O-CB 3.43Å; A27-N61 PolarHBondContact O-ND2 2.87Å; A27-Y174 CarbonylContact C-O 3.59Å; A27-Y174 WeakPolarHBondContact CA-O 3.45Å
28	V	95.3	Very high	79.2	Confident	11 Å²	11	52 Å²	52	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.3	178.4	-177.9	0	0	0	0	109.8	F30 Y63 F165 P173 Y174 V175 V176	V28-F30 HydrophobicContact CB-CE2 4.38Å; V28-F30 HydrophobicContact CG1-CD2 4.14Å; V28-F30 HydrophobicContact CG1-CE2 3.52Å; V28-F30 HydrophobicContact CG1-CZ 3.74Å; V28-Y63 HydrophobicContact CG1-CD2 3.9Å; V28-Y63 HydrophobicContact CG1-CE2 3.96Å; V28-F165 HydrophobicContact CG1-CE1 4.37Å; V28-F165 HydrophobicContact CG1-CZ 4.36Å; V28-F165 HydrophobicContact CG2-CE1 4.47Å; V28-F165 HydrophobicContact CG2-CZ 4.44Å; V28-P173 HydrophobicContact CG2-CB 4.02Å; V28-P173 HydrophobicContact CG2-CG 4.31Å; V28-Y174 PolarHBondContact N-O 3.07Å; V28-V175 WeakPolarHBondContact O-CA 3.38Å; V28-V176 PolarHBondContact O-N 3.36Å
29	L	97.4	Very high	81.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.1	179	176.2	62.7	0	0	0	110.8	T54 W58 N61 Y62 Y63 V176 H178	L29-T54 HydrophobicContact CD2-CG2 3.7Å; L29-W58 HydrophobicContact CB-CD2 3.67Å; L29-W58 HydrophobicContact CB-CE3 3.49Å; L29-W58 VanDerWaalsContact CB-CE3 3.49Å; L29-W58 HydrophobicContact CB-CG 4.35Å; L29-W58 HydrophobicContact CB-CH2 4.09Å; L29-W58 HydrophobicContact CB-CZ2 4.26Å; L29-W58 HydrophobicContact CB-CZ3 3.7Å; L29-W58 HydrophobicContact CD2-CD2 3.96Å; L29-W58 HydrophobicContact CD2-CG 4.07Å; L29-W58 HydrophobicContact CD2-CZ2 4.39Å; L29-W58 HydrophobicContact CG-CD2 4.46Å; L29-N61 PolarHBondContact N-O 3.4Å; L29-Y62 HydrophobicContact CB-CD2 4.35Å; L29-Y62 HydrophobicContact CD2-CD2 3.69Å; L29-Y62 HydrophobicContact CD2-CE2 4.04Å; L29-Y62 HydrophobicContact CG-CD2 3.93Å; L29-Y62 HydrophobicContact CG-CE2 4.4Å; L29-Y63 PolarHBondContact O-N 3.15Å; L29-V176 HydrophobicContact CD1-CB 3.97Å; L29-V176 HydrophobicContact CD1-CG1 3.86Å; L29-H178 HydrophobicContact CD1-CB 4.37Å
30	F	98.4	Very high	83.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110.4	165.2	-65.1	-77.2	0	0	0	109.8	V28 Y63 V65 F161 L162 F165 V175 V176 A177 H178	V28-F30 HydrophobicContact CB-CE2 4.38Å; V28-F30 HydrophobicContact CG1-CD2 4.14Å; V28-F30 HydrophobicContact CG1-CE2 3.52Å; V28-F30 HydrophobicContact CG1-CZ 3.74Å; F30-Y63 CarbonylContact C-O 3.53Å; F30-Y63 WeakPolarHBondContact CA-O 3.48Å; F30-Y63 HydrophobicContact CD1-CD2 4.27Å; F30-Y63 HydrophobicContact CD1-CG 4.15Å; F30-Y63 AromaticContact CE1-CD2 3.73Å; F30-Y63 HydrophobicContact CE1-CD2 3.73Å; F30-Y63 AromaticContact CE1-CG 3.73Å; F30-Y63 HydrophobicContact CE1-CG 3.73Å; F30-Y63 HydrophobicContact CZ-CD2 4.15Å; F30-V65 HydrophobicContact CB-CG2 4.22Å; F30-V65 HydrophobicContact CD1-CG2 3.84Å; F30-V65 HydrophobicContact CG-CG2 4.45Å; F30-F161 AromaticContact CD1-CE1 3.73Å; F30-F161 HydrophobicContact CD1-CE1 3.73Å; F30-F161 HydrophobicContact CD1-CZ 4.32Å; F30-F161 AromaticContact CE1-CE1 3.48Å; F30-F161 HydrophobicContact CE1-CE1 3.48Å; F30-F161 VanDerWaalsContact CE1-CE1 3.48Å; F30-F161 AromaticContact CE1-CZ 3.64Å; F30-F161 HydrophobicContact CE1-CZ 3.64Å; F30-F161 HydrophobicContact CG-CE1 4.46Å; F30-F161 AromaticContact CZ-CE1 4Å; F30-F161 HydrophobicContact CZ-CE1 4Å; F30-F161 HydrophobicContact CZ-CZ 4.09Å; F30-L162 HydrophobicContact CB-CD2 4.05Å; F30-L162 HydrophobicContact CD2-CD2 3.46Å; F30-L162 VanDerWaalsContact CD2-CD2 3.46Å; F30-L162 HydrophobicContact CE2-CD2 4.01Å; F30-L162 HydrophobicContact CG-CD2 3.75Å; F30-F165 AromaticContact CE2-CD1 3.85Å; F30-F165 HydrophobicContact CE2-CD1 3.85Å; F30-F165 AromaticContact CE2-CE1 3.84Å; F30-F165 HydrophobicContact CE2-CE1 3.84Å; F30-F165 HydrophobicContact CE2-CG 4.4Å; F30-F165 HydrophobicContact CE2-CZ 4.39Å; F30-F165 AromaticContact CZ-CD1 3.96Å; F30-F165 HydrophobicContact CZ-CD1 3.96Å; F30-F165 HydrophobicContact CZ-CD2 4.24Å; F30-F165 AromaticContact CZ-CE1 3.92Å; F30-F165 HydrophobicContact CZ-CE1 3.92Å; F30-F165 HydrophobicContact CZ-CE2 4.19Å; F30-F165 HydrophobicContact CZ-CG 4.12Å; F30-F165 HydrophobicContact CZ-CZ 4.04Å; F30-V175 HydrophobicContact CD2-CG1 3.61Å; F30-V175 HydrophobicContact CE2-CG1 3.92Å; F30-V176 PolarHBondContact N-O 2.79Å; F30-A177 CarbonylContact O-C 3.26Å; F30-A177 VanDerWaalsContact O-CA 3.31Å; F30-A177 WeakPolarHBondContact O-CA 3.5Å; F30-H178 PolarHBondContact O-N 3.12Å
31	E	98.6	Very high	85.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	114.7	173.7	-166.4	168.3	-113.5	0	0	109.3	L47 K50 Y62 Y63 L64 V65 H178 H180 R609	E31-L47 HydrophobicContact CG-CD2 4.09Å; E31-L47 WeakPolarHBondContact OE2-CD2 3.43Å; E31-K50 WeakPolarHBondContact OE1-CE 3.48Å; E31-K50 IonicContact OE1-NZ 2.81Å; E31-K50 PolarHBondContact OE1-NZ 3.07Å; E31-K50 IonicContact OE2-NZ 3.85Å; E31-K50 PolarHBondContact OE2-NZ 3.17Å; E31-Y62 HydrophobicContact CB-CE2 3.91Å; E31-Y62 PolarHBondContact OE2-OH 3.17Å; E31-Y63 PolarHBondContact N-O 3.42Å; E31-L64 HydrophobicContact CB-CD2 3.84Å; E31-L64 HydrophobicContact CG-CD2 4.16Å; E31-L64 CarbonylContact O-C 3.56Å; E31-L64 VanDerWaalsContact O-CA 3.31Å; E31-L64 WeakPolarHBondContact O-CA 3.46Å; E31-V65 PolarHBondContact O-N 2.89Å; E31-H178 CarbonylContact C-O 3.55Å; E31-H178 WeakPolarHBondContact CA-O 3.44Å; E31-H178 HydrophobicContact CG-CB 4.27Å; E31-H180 WeakPolarHBondContact CG-NE2 3.49Å; E31-H180 IonicContact OE1-NE2 2.85Å; E31-R609 IonicContact OE1-NH2 3.17Å
32	V	98.8	Very high	87.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.3	-166.4	-170.8	0	0	0	0	109.7	V65 F154 T158 H178 F179 H180 A184	V32-V65 WeakPolarHBondContact CA-O 3.47Å; V32-V65 HydrophobicContact CB-CB 4.41Å; V32-V65 HydrophobicContact CG1-CB 4.23Å; V32-V65 HydrophobicContact CG1-CG1 4.47Å; V32-V65 HydrophobicContact CG2-CB 4.07Å; V32-V65 HydrophobicContact CG2-CG2 4.33Å; V32-F154 HydrophobicContact CG1-CE1 3.84Å; V32-F154 HydrophobicContact CG1-CZ 3.78Å; V32-T158 HydrophobicContact CG1-CG2 3.87Å; V32-T158 HydrophobicContact CG2-CG2 4Å; V32-H178 PolarHBondContact N-O 3.42Å; V32-F179 HydrophobicContact CB-CD1 3.74Å; V32-F179 HydrophobicContact CB-CE1 4.01Å; V32-F179 HydrophobicContact CB-CG 4.3Å; V32-F179 HydrophobicContact CG1-CD1 3.9Å; V32-F179 HydrophobicContact CG1-CE1 4.01Å; V32-F179 HydrophobicContact CG2-CD1 4.1Å; V32-F179 HydrophobicContact CG2-CE1 3.93Å; V32-F179 HydrophobicContact CG2-CZ 4.27Å; V32-F179 WeakPolarHBondContact O-CA 3.27Å; V32-H180 PolarHBondContact O-N 3.15Å; V32-A184 HydrophobicContact CG1-CB 4.16Å
33	A	98.6	Very high	89.5	Confident	1 Å²	1	37 Å²	37	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.5	172.9	0	0	0	0	0	112.3	E35 V36 I43 L47 V65 H180	A33-E35 PolarHBondContact O-N 3.39Å; A33-V36 HydrophobicContact CB-CG2 4.11Å; A33-V36 PolarHBondContact O-N 3.4Å; A33-I43 HydrophobicContact CB-CG2 4.44Å; A33-L47 HydrophobicContact CB-CD1 3.49Å; A33-L47 VanDerWaalsContact CB-CD1 3.49Å; A33-V65 PolarHBondContact N-O 3.22Å; A33-H180 HydrophobicContact CB-CB 3.86Å
34	W	98	Very high	91.2	Very high	42 Å²	42	33.2 Å²	33.2	16%	0.159	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.3	174.1	-169.6	-98.6	0	0	0	113.5	N38 P67 V119 D150 F154 L183	W34-N38 PolarHBondContact O-ND2 2.81Å; W34-P67 HydrophobicContact CD2-CG 3.88Å; W34-P67 HydrophobicContact CE3-CB 4.22Å; W34-P67 HydrophobicContact CE3-CG 3.95Å; W34-P67 HydrophobicContact CG-CG 4.34Å; W34-P67 HydrophobicContact CH2-CB 4.01Å; W34-P67 HydrophobicContact CH2-CG 4.32Å; W34-P67 HydrophobicContact CZ2-CB 4.39Å; W34-P67 HydrophobicContact CZ2-CG 4.31Å; W34-P67 HydrophobicContact CZ3-CB 3.96Å; W34-P67 HydrophobicContact CZ3-CG 4.18Å; W34-P67 VanDerWaalsContact O-CD 3.29Å; W34-P67 WeakPolarHBondContact O-CD 3.48Å; W34-P67 WeakPolarHBondContact O-CG 3.2Å; W34-V119 HydrophobicContact CH2-CG1 4.5Å; W34-V119 HydrophobicContact CH2-CG2 4.32Å; W34-V119 HydrophobicContact CZ3-CG1 4.39Å; W34-D150 HydrophobicContact CH2-CB 3.65Å; W34-D150 HydrophobicContact CZ2-CB 4.33Å; W34-D150 HydrophobicContact CZ3-CB 4.24Å; W34-F154 HydrophobicContact CE3-CB 4.34Å; W34-F154 AromaticContact CE3-CD1 3.99Å; W34-F154 HydrophobicContact CE3-CD1 3.99Å; W34-F154 HydrophobicContact CE3-CG 4.11Å; W34-F154 HydrophobicContact CZ3-CB 3.86Å; W34-F154 HydrophobicContact CZ3-CD1 4.35Å; W34-F154 HydrophobicContact CZ3-CG 4.02Å; W34-L183 HydrophobicContact CB-CB 3.91Å; W34-L183 HydrophobicContact CB-CD1 3.89Å; W34-L183 HydrophobicContact CD2-CD1 4.47Å; W34-L183 HydrophobicContact CG-CB 4.29Å; W34-L183 HydrophobicContact CG-CD1 3.8Å
35	E	97.3	Very high	92.5	Very high	19 Å²	19	33.8 Å²	33.8	9%	0.089	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.5	-174.2	-63.3	-165.6	-139.4	0	0	114.3	A33 A37 N38 V40 G41 I43 Y44	A33-E35 PolarHBondContact O-N 3.39Å; E35-A37 PolarHBondContact O-N 3.17Å; E35-N38 CarbonylContact C-O 3.58Å; E35-N38 WeakPolarHBondContact CA-O 3.43Å; E35-N38 PolarHBondContact O-N 3.4Å; E35-N38 VanDerWaalsContact O-N 3.13Å; E35-V40 HydrophobicContact CG-CB 4.04Å; E35-V40 HydrophobicContact CG-CG2 4.4Å; E35-G41 VanDerWaalsContact CD-N 3.35Å; E35-G41 VanDerWaalsContact OE2-CA 3.32Å; E35-G41 WeakPolarHBondContact OE2-CA 3.5Å; E35-G41 PolarHBondContact OE2-N 3.02Å; E35-I43 HydrophobicContact CB-CB 4.29Å; E35-I43 HydrophobicContact CB-CG2 4.46Å; E35-I43 HydrophobicContact CG-CB 4.23Å; E35-I43 WeakPolarHBondContact OE1-CB 3.37Å; E35-Y44 WeakPolarHBondContact O-CD2 3.01Å; E35-Y44 VanDerWaalsContact OE2-CB 3.3Å; E35-Y44 WeakPolarHBondContact OE2-CB 3.37Å; E35-Y44 PolarHBondContact OE2-N 3Å
36	V	97.8	Very high	93.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	120.4	172.9	170.9	0	0	0	0	109.3	A33 N38 L47 L64 V114 L116	A33-V36 HydrophobicContact CB-CG2 4.11Å; A33-V36 PolarHBondContact O-N 3.4Å; V36-N38 PolarHBondContact O-N 3.24Å; V36-L47 HydrophobicContact CG2-CD1 3.88Å; V36-L64 HydrophobicContact CG1-CB 3.81Å; V36-L64 HydrophobicContact CG2-CB 4.14Å; V36-L64 HydrophobicContact CG2-CD2 3.89Å; V36-V114 HydrophobicContact CG1-CG1 4.01Å; V36-L116 HydrophobicContact CG1-CD2 4.33Å
37	A	95.3	Very high	94.5	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	21.2	-174.1	0	0	0	0	0	114.9	E35 G72 V77 L116	E35-A37 PolarHBondContact O-N 3.17Å; A37-G72 WeakPolarHBondContact O-CA 3.4Å; A37-V77 HydrophobicContact CB-CG2 3.65Å; A37-L116 HydrophobicContact CB-CD2 4.46Å
38	N	94.2	Very high	94.6	Very high	29 Å²	29	25.3 Å²	25.3	16%	0.155	14%	0.141	C	C	.	.			trans	-142.4	93.8	-175.4	178.5	32.3	0	0	0	110.2	W34 E35 V36 V40	W34-N38 PolarHBondContact O-ND2 2.81Å; E35-N38 CarbonylContact C-O 3.58Å; E35-N38 WeakPolarHBondContact CA-O 3.43Å; E35-N38 PolarHBondContact O-N 3.4Å; E35-N38 VanDerWaalsContact O-N 3.13Å; V36-N38 PolarHBondContact O-N 3.24Å; N38-V40 PolarHBondContact O-N 2.69Å
39	K	90.2	Very high	94.5	Very high	143 Å²	143	25.8 Å²	25.8	62%	0.622	14%	0.144	S	C	*	.			trans	-75.2	100.2	-174.2	-170.9	172.8	-176.6	175.1	0	111.6	Y44	K39-Y44 VanDerWaalsContact CA-CD2 3.45Å; K39-Y44 HydrophobicContact CB-CD1 4.14Å; K39-Y44 HydrophobicContact CB-CD2 3.61Å; K39-Y44 HydrophobicContact CB-CE1 4.3Å; K39-Y44 HydrophobicContact CB-CE2 3.76Å; K39-Y44 HydrophobicContact CB-CG 3.8Å; K39-Y44 HydrophobicContact CD-CD1 3.93Å; K39-Y44 HydrophobicContact CD-CE1 3.93Å; K39-Y44 HydrophobicContact CD-CG 4.41Å; K39-Y44 HydrophobicContact CG-CD1 3.78Å; K39-Y44 HydrophobicContact CG-CD2 4.13Å; K39-Y44 HydrophobicContact CG-CE1 4.17Å; K39-Y44 HydrophobicContact CG-CE2 4.46Å; K39-Y44 HydrophobicContact CG-CG 3.77Å
40	V	86.9	Confident	94.4	Very high	97 Å²	97	25.8 Å²	25.8	59%	0.588	14%	0.144	S	C	*	.	S	Bend	trans	-109.2	-39.9	175.6	-176.9	0	0	0	0	111.4	E35 N38	E35-V40 HydrophobicContact CG-CB 4.04Å; E35-V40 HydrophobicContact CG-CG2 4.4Å; N38-V40 PolarHBondContact O-N 2.69Å
41	G	85.4	Confident	94.3	Very high	27 Å²	27	25.8 Å²	25.8	28%	0.278	14%	0.144	S	C	.	.	S	Bend	trans	-152.9	-150.1	-172.2	0	0	0	0	0	113	E35	E35-G41 VanDerWaalsContact CD-N 3.35Å; E35-G41 VanDerWaalsContact OE2-CA 3.32Å; E35-G41 WeakPolarHBondContact OE2-CA 3.5Å; E35-G41 PolarHBondContact OE2-N 3.02Å
42	G	87.1	Confident	94	Very high	31 Å²	31	29.1 Å²	29.1	32%	0.32	16%	0.158	S	C	.	.	H	α-helix	trans	-79.8	-19.2	-176.9	0	0	0	0	0	113.9	Y44 T45 V46	G42-Y44 VanDerWaalsContact C-N 3.31Å; G42-Y44 PolarHBondContact O-N 2.94Å; G42-T45 WeakPolarHBondContact O-CB 3.33Å; G42-T45 PolarHBondContact O-N 2.79Å; G42-T45 VanDerWaalsContact O-N 3.1Å; G42-V46 PolarHBondContact O-N 3.18Å; G42-V46 VanDerWaalsContact O-N 3.14Å
43	I	94.5	Very high	93.7	Very high	19 Å²	19	30.7 Å²	30.7	10%	0.097	17%	0.168	C	C	.	.	H	α-helix	trans	-69.3	-35.6	-178.4	-56.7	171.2	0	0	0	109.8	A33 E35 T45 V46 L47 H180 E181 H205	A33-I43 HydrophobicContact CB-CG2 4.44Å; E35-I43 HydrophobicContact CB-CB 4.29Å; E35-I43 HydrophobicContact CB-CG2 4.46Å; E35-I43 HydrophobicContact CG-CB 4.23Å; E35-I43 WeakPolarHBondContact OE1-CB 3.37Å; I43-T45 PolarHBondContact O-N 2.95Å; I43-V46 WeakPolarHBondContact O-CB 3.26Å; I43-V46 PolarHBondContact O-N 2.95Å; I43-V46 VanDerWaalsContact O-N 3.11Å; I43-L47 HydrophobicContact CG2-CD1 3.89Å; I43-L47 HydrophobicContact CG2-CG 4.18Å; I43-L47 WeakPolarHBondContact O-CG 3.47Å; I43-L47 PolarHBondContact O-N 3.01Å; I43-H180 HydrophobicContact CG2-CB 4.26Å; I43-E181 HydrophobicContact CD1-CB 4.03Å; I43-E181 HydrophobicContact CD1-CG 3.27Å; I43-H205 HydrophobicContact CD1-CB 4.37Å; I43-H205 HydrophobicContact CG1-CB 4.32Å
44	Y	94.7	Very high	93.5	Very high	14 Å²	14	30.7 Å²	30.7	6%	0.055	17%	0.168	C	C	.	.	H	α-helix	trans	-48.5	-49.1	168.1	177.3	-86.3	0	0	0	111.4	E35 K39 G42 L47 Q48 Q76 W106	E35-Y44 WeakPolarHBondContact O-CD2 3.01Å; E35-Y44 VanDerWaalsContact OE2-CB 3.3Å; E35-Y44 WeakPolarHBondContact OE2-CB 3.37Å; E35-Y44 PolarHBondContact OE2-N 3Å; K39-Y44 VanDerWaalsContact CA-CD2 3.45Å; K39-Y44 HydrophobicContact CB-CD1 4.14Å; K39-Y44 HydrophobicContact CB-CD2 3.61Å; K39-Y44 HydrophobicContact CB-CE1 4.3Å; K39-Y44 HydrophobicContact CB-CE2 3.76Å; K39-Y44 HydrophobicContact CB-CG 3.8Å; K39-Y44 HydrophobicContact CD-CD1 3.93Å; K39-Y44 HydrophobicContact CD-CE1 3.93Å; K39-Y44 HydrophobicContact CD-CG 4.41Å; K39-Y44 HydrophobicContact CG-CD1 3.78Å; K39-Y44 HydrophobicContact CG-CD2 4.13Å; K39-Y44 HydrophobicContact CG-CE1 4.17Å; K39-Y44 HydrophobicContact CG-CE2 4.46Å; K39-Y44 HydrophobicContact CG-CG 3.77Å; G42-Y44 VanDerWaalsContact C-N 3.31Å; G42-Y44 PolarHBondContact O-N 2.94Å; Y44-L47 PolarHBondContact O-N 2.81Å; Y44-Q48 HydrophobicContact CE1-CB 4.4Å; Y44-Q48 VanDerWaalsContact CE1-OE1 3.24Å; Y44-Q48 WeakPolarHBondContact O-CB 3.37Å; Y44-Q48 PolarHBondContact O-N 3.06Å; Y44-Q76 PolarHBondContact OH-OE1 2.71Å; Y44-W106 HydrophobicContact CD2-CH2 4.26Å; Y44-W106 AromaticContact CD2-CZ2 3.95Å; Y44-W106 HydrophobicContact CD2-CZ2 3.95Å; Y44-W106 HydrophobicContact CE2-CH2 4.16Å; Y44-W106 AromaticContact CE2-CZ2 3.4Å; Y44-W106 HydrophobicContact CE2-CZ2 3.4Å; Y44-W106 VanDerWaalsContact CE2-CZ2 3.4Å; Y44-W106 AromaticContact CZ-CZ2 3.72Å
45	T	92.1	Very high	93.2	Very high	36 Å²	36	29.7 Å²	29.7	22%	0.221	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-38.3	-179.7	-57.9	0	0	0	0	111.9	G42 I43 T49	G42-T45 WeakPolarHBondContact O-CB 3.33Å; G42-T45 PolarHBondContact O-N 2.79Å; G42-T45 VanDerWaalsContact O-N 3.1Å; I43-T45 PolarHBondContact O-N 2.95Å; T45-T49 HydrophobicContact CG2-CG2 4.22Å; T45-T49 WeakPolarHBondContact O-CB 3.37Å; T45-T49 WeakPolarHBondContact O-CG2 3.31Å; T45-T49 PolarHBondContact O-N 2.74Å; T45-T49 PolarHBondContact O-OG1 3.02Å
46	V	95	Very high	92.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-55.6	174.5	176.8	0	0	0	0	110.6	G42 I43 Q48 T49 K50 N280 Y514 W598	G42-V46 PolarHBondContact O-N 3.18Å; G42-V46 VanDerWaalsContact O-N 3.14Å; I43-V46 WeakPolarHBondContact O-CB 3.26Å; I43-V46 PolarHBondContact O-N 2.95Å; I43-V46 VanDerWaalsContact O-N 3.11Å; V46-Q48 VanDerWaalsContact C-N 3.33Å; V46-Q48 PolarHBondContact O-N 3.3Å; V46-T49 PolarHBondContact O-N 2.96Å; V46-T49 PolarHBondContact O-OG1 3.22Å; V46-K50 WeakPolarHBondContact O-CB 3.14Å; V46-K50 PolarHBondContact O-N 2.77Å; V46-N280 HydrophobicContact CG2-CB 4.32Å; V46-N280 WeakPolarHBondContact CG2-OD1 3.45Å; V46-Y514 HydrophobicContact CG2-CE1 4.25Å; V46-Y514 WeakPolarHBondContact CG2-OH 3.26Å; V46-W598 HydrophobicContact CG1-CH2 4.03Å; V46-W598 HydrophobicContact CG1-CZ2 3.94Å
47	L	96.3	Very high	92.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-43.8	-176.6	-63.6	170.2	0	0	0	110.5	E31 A33 V36 I43 Y44 A51 L64 W106	E31-L47 HydrophobicContact CG-CD2 4.09Å; E31-L47 WeakPolarHBondContact OE2-CD2 3.43Å; A33-L47 HydrophobicContact CB-CD1 3.49Å; A33-L47 VanDerWaalsContact CB-CD1 3.49Å; V36-L47 HydrophobicContact CG2-CD1 3.88Å; I43-L47 HydrophobicContact CG2-CD1 3.89Å; I43-L47 HydrophobicContact CG2-CG 4.18Å; I43-L47 WeakPolarHBondContact O-CG 3.47Å; I43-L47 PolarHBondContact O-N 3.01Å; Y44-L47 PolarHBondContact O-N 2.81Å; L47-A51 VanDerWaalsContact O-CB 3.32Å; L47-A51 WeakPolarHBondContact O-CB 3.38Å; L47-A51 PolarHBondContact O-N 3.37Å; L47-L64 HydrophobicContact CD2-CD2 4.16Å; L47-W106 HydrophobicContact CB-CH2 4.37Å; L47-W106 HydrophobicContact CB-CZ3 4.2Å
48	Q	94.9	Very high	92.3	Very high	60 Å²	60	36.5 Å²	36.5	28%	0.28	21%	0.205	S	C	.	.	H	α-helix	trans	-60.4	-47.8	179.3	178	178.2	45.2	0	0	112.3	Y44 V46 W106 I108	Y44-Q48 HydrophobicContact CE1-CB 4.4Å; Y44-Q48 VanDerWaalsContact CE1-OE1 3.24Å; Y44-Q48 WeakPolarHBondContact O-CB 3.37Å; Y44-Q48 PolarHBondContact O-N 3.06Å; V46-Q48 VanDerWaalsContact C-N 3.33Å; V46-Q48 PolarHBondContact O-N 3.3Å; Q48-W106 HydrophobicContact CB-CH2 3.99Å; Q48-W106 HydrophobicContact CB-CZ2 4.23Å; Q48-I108 HydrophobicContact CB-CD1 4.25Å; Q48-I108 HydrophobicContact CG-CB 4.19Å; Q48-I108 HydrophobicContact CG-CD1 4Å; Q48-I108 HydrophobicContact CG-CG2 3.95Å
49	T	93.1	Very high	92.1	Very high	21 Å²	21	37.1 Å²	37.1	13%	0.129	22%	0.219	C	C	.	.	H	α-helix	trans	-77.4	-36.3	-176.3	55	0	0	0	0	111.8	T45 V46 A51 N283 W598	T45-T49 HydrophobicContact CG2-CG2 4.22Å; T45-T49 WeakPolarHBondContact O-CB 3.37Å; T45-T49 WeakPolarHBondContact O-CG2 3.31Å; T45-T49 PolarHBondContact O-N 2.74Å; T45-T49 PolarHBondContact O-OG1 3.02Å; V46-T49 PolarHBondContact O-N 2.96Å; V46-T49 PolarHBondContact O-OG1 3.22Å; T49-A51 VanDerWaalsContact C-N 3.32Å; T49-A51 PolarHBondContact O-N 3.25Å; T49-N283 PolarHBondContact O-ND2 2.89Å; T49-N283 VanDerWaalsContact O-ND2 3.08Å; T49-N283 PolarHBondContact O-OD1 3.05Å; T49-W598 PolarHBondContact OG1-NE1 3.25Å
50	K	95.7	Very high	92	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	22%	0.221	C	C	.	.	H	α-helix	trans	-72.6	-22.1	177.7	-167.3	-178.4	59.5	66.8	0	113.5	E31 V46 K52 V53 T54 W598 Y605	E31-K50 WeakPolarHBondContact OE1-CE 3.48Å; E31-K50 IonicContact OE1-NZ 2.81Å; E31-K50 PolarHBondContact OE1-NZ 3.07Å; E31-K50 IonicContact OE2-NZ 3.85Å; E31-K50 PolarHBondContact OE2-NZ 3.17Å; V46-K50 WeakPolarHBondContact O-CB 3.14Å; V46-K50 PolarHBondContact O-N 2.77Å; K50-K52 PolarHBondContact O-N 3.37Å; K50-K52 VanDerWaalsContact O-N 3.15Å; K50-V53 HydrophobicContact CG-CG1 3.95Å; K50-V53 VanDerWaalsContact O-CG1 3.26Å; K50-V53 WeakPolarHBondContact O-CG1 3.42Å; K50-V53 PolarHBondContact O-N 3.01Å; K50-V53 VanDerWaalsContact O-N 3.17Å; K50-T54 PolarHBondContact NZ-OG1 2.95Å; K50-T54 PolarHBondContact O-N 2.99Å; K50-T54 VanDerWaalsContact O-N 3.07Å; K50-T54 PolarHBondContact O-OG1 2.91Å; K50-W598 HydrophobicContact CB-CD2 3.95Å; K50-W598 HydrophobicContact CB-CE3 4.33Å; K50-W598 HydrophobicContact CB-CG 4.5Å; K50-W598 HydrophobicContact CB-CH2 4.18Å; K50-W598 HydrophobicContact CB-CZ2 3.77Å; K50-W598 HydrophobicContact CB-CZ3 4.44Å; K50-W598 HydrophobicContact CD-CE3 4.2Å; K50-W598 HydrophobicContact CD-CH2 3.84Å; K50-W598 HydrophobicContact CD-CZ2 4.31Å; K50-W598 HydrophobicContact CD-CZ3 3.78Å; K50-W598 HydrophobicContact CG-CD2 3.96Å; K50-W598 HydrophobicContact CG-CE3 3.87Å; K50-W598 HydrophobicContact CG-CH2 4.12Å; K50-W598 HydrophobicContact CG-CZ2 4.2Å; K50-W598 HydrophobicContact CG-CZ3 3.96Å; K50-Y605 HydrophobicContact CD-CD1 3.99Å; K50-Y605 HydrophobicContact CD-CD2 4.01Å; K50-Y605 HydrophobicContact CD-CE1 3.89Å; K50-Y605 HydrophobicContact CD-CE2 3.92Å; K50-Y605 HydrophobicContact CD-CG 4.06Å
51	A	95.3	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-51.3	-42.1	-174.7	0	0	0	0	0	113	L47 T49 T54 G55 I108 P112	L47-A51 VanDerWaalsContact O-CB 3.32Å; L47-A51 WeakPolarHBondContact O-CB 3.38Å; L47-A51 PolarHBondContact O-N 3.37Å; T49-A51 VanDerWaalsContact C-N 3.32Å; T49-A51 PolarHBondContact O-N 3.25Å; A51-T54 PolarHBondContact O-N 3.36Å; A51-G55 PolarHBondContact O-N 2.98Å; A51-I108 HydrophobicContact CB-CD1 3.75Å; A51-P112 HydrophobicContact CB-CG 3.87Å
52	K	93.3	Very high	92.8	Very high	69 Å²	69	32.9 Å²	32.9	30%	0.3	19%	0.193	S	C	.	.	H	α-helix	trans	-61.4	-53.4	178.8	175.7	165.5	173.1	43.2	0	112.4	K50 T54 G55 D56 E109	K50-K52 PolarHBondContact O-N 3.37Å; K50-K52 VanDerWaalsContact O-N 3.15Å; K52-T54 VanDerWaalsContact C-N 3.27Å; K52-T54 PolarHBondContact O-N 3.2Å; K52-G55 PolarHBondContact O-N 3.34Å; K52-D56 VanDerWaalsContact NZ-CG 3.34Å; K52-D56 IonicContact NZ-OD1 3.01Å; K52-D56 PolarHBondContact NZ-OD1 3.31Å; K52-D56 IonicContact NZ-OD2 2.77Å; K52-D56 PolarHBondContact NZ-OD2 2.92Å; K52-D56 WeakPolarHBondContact O-CB 3.42Å; K52-D56 PolarHBondContact O-N 3.48Å; K52-E109 HydrophobicContact CB-CG 4.23Å; K52-E109 HydrophobicContact CD-CG 3.76Å; K52-E109 VanDerWaalsContact CD-OE1 3.26Å; K52-E109 WeakPolarHBondContact CD-OE1 3.45Å
53	V	92.2	Very high	93.3	Very high	33 Å²	33	31.8 Å²	31.8	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-36	-177.4	71.9	0	0	0	0	111.4	K50 E57 W598	K50-V53 HydrophobicContact CG-CG1 3.95Å; K50-V53 VanDerWaalsContact O-CG1 3.26Å; K50-V53 WeakPolarHBondContact O-CG1 3.42Å; K50-V53 PolarHBondContact O-N 3.01Å; K50-V53 VanDerWaalsContact O-N 3.17Å; V53-E57 WeakPolarHBondContact O-CB 3.05Å; V53-E57 PolarHBondContact O-N 3.38Å; V53-W598 HydrophobicContact CB-CB 4.28Å; V53-W598 HydrophobicContact CG1-CB 3.84Å; V53-W598 HydrophobicContact CG1-CG 4.35Å
54	T	93.9	Very high	93.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	18%	0.175	C	C	.	.	H	α-helix	trans	-71	-37.7	177	-56.9	0	0	0	0	111.5	L29 K50 A51 K52 E57 W58 Y62 R609	L29-T54 HydrophobicContact CD2-CG2 3.7Å; K50-T54 PolarHBondContact NZ-OG1 2.95Å; K50-T54 PolarHBondContact O-N 2.99Å; K50-T54 VanDerWaalsContact O-N 3.07Å; K50-T54 PolarHBondContact O-OG1 2.91Å; A51-T54 PolarHBondContact O-N 3.36Å; K52-T54 VanDerWaalsContact C-N 3.27Å; K52-T54 PolarHBondContact O-N 3.2Å; T54-E57 PolarHBondContact O-N 3.2Å; T54-W58 WeakPolarHBondContact O-CB 3.06Å; T54-W58 PolarHBondContact O-N 2.96Å; T54-Y62 HydrophobicContact CG2-CD1 3.96Å; T54-Y62 HydrophobicContact CG2-CD2 3.7Å; T54-Y62 HydrophobicContact CG2-CE1 3.82Å; T54-Y62 HydrophobicContact CG2-CE2 3.56Å; T54-Y62 HydrophobicContact CG2-CG 3.9Å; T54-R609 VanDerWaalsContact CG2-NH2 3.32Å; T54-R609 PolarHBondContact OG1-NH2 3.41Å
55	G	92.4	Very high	93.7	Very high	20 Å²	20	30.2 Å²	30.2	21%	0.206	17%	0.172	C	C	.	.	H	α-helix	trans	-69.8	-36.2	175.5	0	0	0	0	0	113.3	A51 K52 E57 G59	A51-G55 PolarHBondContact O-N 2.98Å; K52-G55 PolarHBondContact O-N 3.34Å; G55-E57 PolarHBondContact O-N 3.07Å; G55-G59 VanDerWaalsContact O-CA 3.31Å; G55-G59 WeakPolarHBondContact O-CA 3.16Å; G55-G59 PolarHBondContact O-N 3.28Å
56	D	90.8	Very high	94	Very high	112 Å²	112	28.5 Å²	28.5	60%	0.599	16%	0.161	S	C	*	.	H	α-helix	trans	-64	-30	173.2	-67	-20.5	0	0	0	111.1	K52	K52-D56 VanDerWaalsContact NZ-CG 3.34Å; K52-D56 IonicContact NZ-OD1 3.01Å; K52-D56 PolarHBondContact NZ-OD1 3.31Å; K52-D56 IonicContact NZ-OD2 2.77Å; K52-D56 PolarHBondContact NZ-OD2 2.92Å; K52-D56 WeakPolarHBondContact O-CB 3.42Å; K52-D56 PolarHBondContact O-N 3.48Å
57	E	88.6	Confident	94.1	Very high	46 Å²	46	28.6 Å²	28.6	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-82.3	-47.1	178.1	179.2	-163.2	158.6	0	0	113.2	V53 T54 G55 M606 R609	V53-E57 WeakPolarHBondContact O-CB 3.05Å; V53-E57 PolarHBondContact O-N 3.38Å; T54-E57 PolarHBondContact O-N 3.2Å; G55-E57 PolarHBondContact O-N 3.07Å; E57-M606 WeakPolarHBondContact OE1-CG 3.44Å; E57-R609 VanDerWaalsContact CD-NH1 3.34Å; E57-R609 IonicContact OE1-NH1 3.85Å; E57-R609 PolarHBondContact OE1-NH1 3.44Å; E57-R609 VanDerWaalsContact OE1-NH1 3.14Å; E57-R609 IonicContact OE2-NH1 3.45Å; E57-R609 PolarHBondContact OE2-NH1 3.16Å
58	W	91.7	Very high	94.1	Very high	6 Å²	6	30.4 Å²	30.4	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-101.6	-10.3	-170.9	-75.4	75.9	0	0	0	114.3	F22 P24 A27 L29 T54 D60 N61 V176 R609	F22-W58 AromaticContact CE1-CH2 3.91Å; F22-W58 HydrophobicContact CE1-CH2 3.91Å; F22-W58 HydrophobicContact CE1-CZ2 4.02Å; F22-W58 HydrophobicContact CE1-CZ3 4.5Å; F22-W58 HydrophobicContact CZ-CH2 4.38Å; P24-W58 HydrophobicContact CB-CE3 4.14Å; P24-W58 HydrophobicContact CB-CZ3 4.35Å; A27-W58 HydrophobicContact CB-CH2 4.07Å; A27-W58 HydrophobicContact CB-CZ3 3.75Å; L29-W58 HydrophobicContact CB-CD2 3.67Å; L29-W58 HydrophobicContact CB-CE3 3.49Å; L29-W58 VanDerWaalsContact CB-CE3 3.49Å; L29-W58 HydrophobicContact CB-CG 4.35Å; L29-W58 HydrophobicContact CB-CH2 4.09Å; L29-W58 HydrophobicContact CB-CZ2 4.26Å; L29-W58 HydrophobicContact CB-CZ3 3.7Å; L29-W58 HydrophobicContact CD2-CD2 3.96Å; L29-W58 HydrophobicContact CD2-CG 4.07Å; L29-W58 HydrophobicContact CD2-CZ2 4.39Å; L29-W58 HydrophobicContact CG-CD2 4.46Å; T54-W58 WeakPolarHBondContact O-CB 3.06Å; T54-W58 PolarHBondContact O-N 2.96Å; W58-D60 PolarHBondContact O-N 3.29Å; W58-N61 HydrophobicContact CE3-CB 4.41Å; W58-N61 WeakPolarHBondContact O-CB 3.39Å; W58-N61 PolarHBondContact O-N 3.04Å; W58-N61 VanDerWaalsContact O-N 3.11Å; W58-V176 HydrophobicContact CH2-CG2 4.21Å; W58-R609 HydrophobicContact CZ2-CB 4.49Å
59	G	90	Very high	94.1	Very high	43 Å²	43	29.4 Å²	29.4	44%	0.443	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	54.7	-131.8	-177.3	0	0	0	0	0	113	G55 N61	G55-G59 VanDerWaalsContact O-CA 3.31Å; G55-G59 WeakPolarHBondContact O-CA 3.16Å; G55-G59 PolarHBondContact O-N 3.28Å; G59-N61 PolarHBondContact O-N 3.22Å
60	D	89	Confident	94.1	Very high	126 Å²	126	32.3 Å²	32.3	67%	0.674	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-76.1	-4.4	-178.9	-67.6	-31.8	0	0	0	113.7	W58 Y62 Y63	W58-D60 PolarHBondContact O-N 3.29Å; D60-Y62 VanDerWaalsContact C-N 3.27Å; D60-Y62 PolarHBondContact O-N 3.36Å; D60-Y63 WeakPolarHBondContact O-CE2 3.5Å; D60-Y63 PolarHBondContact O-OH 3.03Å; D60-Y63 VanDerWaalsContact O-OH 3.04Å
61	N	92.7	Very high	93.9	Very high	48 Å²	48	39.9 Å²	39.9	26%	0.257	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-87.1	6.4	176.7	-70	-17.1	0	0	0	113.2	P24 A27 L29 W58 G59	P24-N61 PolarHBondContact O-ND2 3.2Å; P24-N61 VanDerWaalsContact O-ND2 3.16Å; A27-N61 WeakPolarHBondContact O-CB 3.43Å; A27-N61 PolarHBondContact O-ND2 2.87Å; L29-N61 PolarHBondContact N-O 3.4Å; W58-N61 HydrophobicContact CE3-CB 4.41Å; W58-N61 WeakPolarHBondContact O-CB 3.39Å; W58-N61 PolarHBondContact O-N 3.04Å; W58-N61 VanDerWaalsContact O-N 3.11Å; G59-N61 PolarHBondContact O-N 3.22Å
62	Y	95.6	Very high	93.6	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.6	179.3	173.1	-130.5	0	0	0	112.9	L29 E31 T54 D60 L64 P112	L29-Y62 HydrophobicContact CB-CD2 4.35Å; L29-Y62 HydrophobicContact CD2-CD2 3.69Å; L29-Y62 HydrophobicContact CD2-CE2 4.04Å; L29-Y62 HydrophobicContact CG-CD2 3.93Å; L29-Y62 HydrophobicContact CG-CE2 4.4Å; E31-Y62 HydrophobicContact CB-CE2 3.91Å; E31-Y62 PolarHBondContact OE2-OH 3.17Å; T54-Y62 HydrophobicContact CG2-CD1 3.96Å; T54-Y62 HydrophobicContact CG2-CD2 3.7Å; T54-Y62 HydrophobicContact CG2-CE1 3.82Å; T54-Y62 HydrophobicContact CG2-CE2 3.56Å; T54-Y62 HydrophobicContact CG2-CG 3.9Å; D60-Y62 VanDerWaalsContact C-N 3.27Å; D60-Y62 PolarHBondContact O-N 3.36Å; Y62-L64 HydrophobicContact CE1-CD1 4.42Å; Y62-L64 HydrophobicContact CE1-CG 4.49Å; Y62-L64 HydrophobicContact CE2-CD2 4.46Å; Y62-L64 HydrophobicContact CE2-CG 4.17Å; Y62-L64 WeakPolarHBondContact OH-CD2 3.27Å; Y62-L64 WeakPolarHBondContact OH-CG 3.42Å; Y62-P112 HydrophobicContact CD1-CB 4.14Å; Y62-P112 HydrophobicContact CE1-CB 3.78Å
63	Y	97.7	Very high	93.6	Very high	8 Å²	8	37.3 Å²	37.3	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	135.2	178.3	-59.2	-88.9	0	0	0	110.3	V28 L29 F30 E31 D60 L87 F103 L113	V28-Y63 HydrophobicContact CG1-CD2 3.9Å; V28-Y63 HydrophobicContact CG1-CE2 3.96Å; L29-Y63 PolarHBondContact O-N 3.15Å; F30-Y63 CarbonylContact C-O 3.53Å; F30-Y63 WeakPolarHBondContact CA-O 3.48Å; F30-Y63 HydrophobicContact CD1-CD2 4.27Å; F30-Y63 HydrophobicContact CD1-CG 4.15Å; F30-Y63 AromaticContact CE1-CD2 3.73Å; F30-Y63 HydrophobicContact CE1-CD2 3.73Å; F30-Y63 AromaticContact CE1-CG 3.73Å; F30-Y63 HydrophobicContact CE1-CG 3.73Å; F30-Y63 HydrophobicContact CZ-CD2 4.15Å; E31-Y63 PolarHBondContact N-O 3.42Å; D60-Y63 WeakPolarHBondContact O-CE2 3.5Å; D60-Y63 PolarHBondContact O-OH 3.03Å; D60-Y63 VanDerWaalsContact O-OH 3.04Å; Y63-L87 HydrophobicContact CD1-CD2 4.35Å; Y63-L87 HydrophobicContact CE1-CD2 3.77Å; Y63-F103 HydrophobicContact CD1-CE2 4.14Å; Y63-F103 HydrophobicContact CE1-CE2 4.03Å; Y63-F103 HydrophobicContact CE1-CZ 4.44Å; Y63-L113 HydrophobicContact CD1-CB 3.77Å; Y63-L113 HydrophobicContact CD1-CD1 4.23Å; Y63-L113 HydrophobicContact CE1-CB 4Å; Y63-L113 HydrophobicContact CE1-CD1 3.59Å; Y63-L113 HydrophobicContact CE1-CG 4.45Å
64	L	98.6	Very high	93.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.8	167.6	-78.2	158	0	0	0	109.7	E31 V36 L47 Y62 W106 P112 L113 V114 V115	E31-L64 HydrophobicContact CB-CD2 3.84Å; E31-L64 HydrophobicContact CG-CD2 4.16Å; E31-L64 CarbonylContact O-C 3.56Å; E31-L64 VanDerWaalsContact O-CA 3.31Å; E31-L64 WeakPolarHBondContact O-CA 3.46Å; V36-L64 HydrophobicContact CG1-CB 3.81Å; V36-L64 HydrophobicContact CG2-CB 4.14Å; V36-L64 HydrophobicContact CG2-CD2 3.89Å; L47-L64 HydrophobicContact CD2-CD2 4.16Å; Y62-L64 HydrophobicContact CE1-CD1 4.42Å; Y62-L64 HydrophobicContact CE1-CG 4.49Å; Y62-L64 HydrophobicContact CE2-CD2 4.46Å; Y62-L64 HydrophobicContact CE2-CG 4.17Å; Y62-L64 WeakPolarHBondContact OH-CD2 3.27Å; Y62-L64 WeakPolarHBondContact OH-CG 3.42Å; L64-W106 HydrophobicContact CD1-CE3 3.8Å; L64-W106 HydrophobicContact CD1-CZ3 4.02Å; L64-P112 HydrophobicContact CD1-CB 3.87Å; L64-P112 HydrophobicContact CD1-CG 3.61Å; L64-L113 PolarHBondContact N-O 3.15Å; L64-V114 HydrophobicContact CB-CG1 3.97Å; L64-V114 CarbonylContact O-C 3.55Å; L64-V114 VanDerWaalsContact O-CA 3.26Å; L64-V114 WeakPolarHBondContact O-CA 3.49Å; L64-V115 PolarHBondContact O-N 3.42Å
65	V	98.7	Very high	93.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.3	179.6	-172.1	0	0	0	0	109.9	F30 E31 V32 A33 V115 L117 F161	F30-V65 HydrophobicContact CB-CG2 4.22Å; F30-V65 HydrophobicContact CD1-CG2 3.84Å; F30-V65 HydrophobicContact CG-CG2 4.45Å; E31-V65 PolarHBondContact O-N 2.89Å; V32-V65 WeakPolarHBondContact CA-O 3.47Å; V32-V65 HydrophobicContact CB-CB 4.41Å; V32-V65 HydrophobicContact CG1-CB 4.23Å; V32-V65 HydrophobicContact CG1-CG1 4.47Å; V32-V65 HydrophobicContact CG2-CB 4.07Å; V32-V65 HydrophobicContact CG2-CG2 4.33Å; A33-V65 PolarHBondContact N-O 3.22Å; V65-V115 WeakPolarHBondContact CA-O 3.42Å; V65-V115 HydrophobicContact CG2-CB 4.37Å; V65-L117 HydrophobicContact CG1-CD1 3.79Å; V65-L117 HydrophobicContact CG1-CG 4.24Å; V65-F161 HydrophobicContact CG2-CE1 4.28Å
66	G	98.3	Very high	93.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	170.1	-174.8	0	0	0	0	0	114.2	V115 L116 L117 F154	G66-V115 PolarHBondContact N-O 2.91Å; G66-L116 CarbonylContact O-C 3.48Å; G66-L116 WeakPolarHBondContact O-CA 3.42Å; G66-L117 PolarHBondContact O-N 3.23Å; G66-F154 VanDerWaalsContact C-CE2 3.43Å
67	P	97.3	Very high	94	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.013	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	141.6	169.9	31.3	-34.2	0	0	0	110.6	W34 T69 L117 F154	W34-P67 HydrophobicContact CD2-CG 3.88Å; W34-P67 HydrophobicContact CE3-CB 4.22Å; W34-P67 HydrophobicContact CE3-CG 3.95Å; W34-P67 HydrophobicContact CG-CG 4.34Å; W34-P67 HydrophobicContact CH2-CB 4.01Å; W34-P67 HydrophobicContact CH2-CG 4.32Å; W34-P67 HydrophobicContact CZ2-CB 4.39Å; W34-P67 HydrophobicContact CZ2-CG 4.31Å; W34-P67 HydrophobicContact CZ3-CB 3.96Å; W34-P67 HydrophobicContact CZ3-CG 4.18Å; W34-P67 VanDerWaalsContact O-CD 3.29Å; W34-P67 WeakPolarHBondContact O-CD 3.48Å; W34-P67 WeakPolarHBondContact O-CG 3.2Å; P67-T69 PolarHBondContact O-N 3.36Å; P67-L117 CarbonylContact C-O 3.59Å; P67-L117 WeakPolarHBondContact CA-O 3.39Å; P67-F154 HydrophobicContact CB-CD2 4.5Å
68	Y	97.2	Very high	94.4	Very high	37 Å²	37	47.9 Å²	47.9	15%	0.145	24%	0.243	C	C	.	.			trans	-71.6	125.3	170.1	178.7	-88.5	0	0	0	110.1	E70 V73 Y102 L116 L117 D118	Y68-E70 HydrophobicContact CE1-CB 4.48Å; Y68-E70 PolarHBondContact OH-OE2 3.17Å; Y68-V73 HydrophobicContact CD2-CG2 3.73Å; Y68-V73 HydrophobicContact CE2-CB 4.13Å; Y68-V73 HydrophobicContact CE2-CG1 4.24Å; Y68-V73 HydrophobicContact CE2-CG2 3.59Å; Y68-Y102 HydrophobicContact CD1-CE2 4.42Å; Y68-Y102 HydrophobicContact CD2-CD1 4.48Å; Y68-Y102 AromaticContact CD2-CD2 3.31Å; Y68-Y102 HydrophobicContact CD2-CD2 3.31Å; Y68-Y102 AromaticContact CD2-CE2 3.67Å; Y68-Y102 HydrophobicContact CD2-CE2 3.67Å; Y68-Y102 AromaticContact CD2-CG 3.77Å; Y68-Y102 HydrophobicContact CD2-CG 3.77Å; Y68-Y102 HydrophobicContact CE2-CD1 4.16Å; Y68-Y102 AromaticContact CE2-CD2 3.74Å; Y68-Y102 HydrophobicContact CE2-CD2 3.74Å; Y68-Y102 HydrophobicContact CE2-CE1 4.24Å; Y68-Y102 AromaticContact CE2-CE2 3.84Å; Y68-Y102 HydrophobicContact CE2-CE2 3.84Å; Y68-Y102 AromaticContact CE2-CG 3.91Å; Y68-Y102 HydrophobicContact CE2-CG 3.91Å; Y68-Y102 AromaticContact CG-CD2 3.9Å; Y68-Y102 HydrophobicContact CG-CD2 3.9Å; Y68-Y102 AromaticContact CG-CE2 3.98Å; Y68-Y102 HydrophobicContact CG-CE2 3.98Å; Y68-L116 HydrophobicContact CD2-CB 4.31Å; Y68-L117 PolarHBondContact N-O 3.4Å; Y68-D118 HydrophobicContact CD1-CB 4.44Å; Y68-D118 HydrophobicContact CG-CB 4.4Å
69	T	94.6	Very high	94.6	Very high	39 Å²	39	52 Å²	52	24%	0.239	27%	0.265	C	S	.	.			trans	-128.6	128.7	167.8	65.4	0	0	0	0	109.6	P67 Q71 G72 V73	P67-T69 PolarHBondContact O-N 3.36Å; T69-Q71 VanDerWaalsContact C-N 3.26Å; T69-Q71 PolarHBondContact O-N 3.16Å; T69-G72 PolarHBondContact O-N 3.38Å; T69-G72 VanDerWaalsContact O-N 3.15Å; T69-G72 PolarHBondContact OG1-N 2.85Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.01Å
70	E	93.1	Very high	94.9	Very high	83 Å²	83	52.8 Å²	52.8	39%	0.388	26%	0.258	S	S	.	.	H	α-helix	trans	-56.4	-42.1	-176.5	-173.7	68	-164.2	0	0	112	Y68 R74	Y68-E70 HydrophobicContact CE1-CB 4.48Å; Y68-E70 PolarHBondContact OH-OE2 3.17Å; E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.41Å; E70-R74 PolarHBondContact O-N 2.91Å; E70-R74 VanDerWaalsContact O-N 3.13Å; E70-R74 IonicContact OE1-CZ 3.06Å; E70-R74 IonicContact OE1-NE 3.85Å; E70-R74 PolarHBondContact OE1-NE 3.23Å; E70-R74 IonicContact OE1-NH2 3.5Å; E70-R74 PolarHBondContact OE1-NH2 3.4Å
71	Q	91.3	Very high	95.2	Very high	159 Å²	159	53.2 Å²	53.2	74%	0.743	26%	0.257	S	S	*	.	H	α-helix	trans	-67.3	-43.6	178.8	-176	178.5	-0.4	0	0	112.1	T69 T75	T69-Q71 VanDerWaalsContact C-N 3.26Å; T69-Q71 PolarHBondContact O-N 3.16Å; Q71-T75 WeakPolarHBondContact O-CG2 3.08Å; Q71-T75 PolarHBondContact O-N 3.19Å; Q71-T75 PolarHBondContact O-OG1 2.79Å
72	G	89.4	Confident	95.2	Very high	5 Å²	5	52 Å²	52	5%	0.052	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-47.4	178.8	0	0	0	0	0	111.3	A37 T69 T75 Q76	A37-G72 WeakPolarHBondContact O-CA 3.4Å; T69-G72 PolarHBondContact O-N 3.38Å; T69-G72 VanDerWaalsContact O-N 3.15Å; T69-G72 PolarHBondContact OG1-N 2.85Å; G72-T75 PolarHBondContact O-N 3.29Å; G72-T75 PolarHBondContact O-OG1 3.41Å; G72-Q76 WeakPolarHBondContact O-CB 3.32Å; G72-Q76 PolarHBondContact O-N 3.22Å
73	V	92.9	Very high	94.9	Very high	11 Å²	11	55.6 Å²	55.6	7%	0.067	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-49.7	-179.3	173.1	0	0	0	0	111.9	Y68 T69 T75 Q76 V77 L79 L116	Y68-V73 HydrophobicContact CD2-CG2 3.73Å; Y68-V73 HydrophobicContact CE2-CB 4.13Å; Y68-V73 HydrophobicContact CE2-CG1 4.24Å; Y68-V73 HydrophobicContact CE2-CG2 3.59Å; T69-V73 WeakPolarHBondContact O-CG2 3.48Å; T69-V73 PolarHBondContact O-N 3.01Å; V73-T75 PolarHBondContact O-N 3.41Å; V73-T75 VanDerWaalsContact O-N 3.11Å; V73-Q76 PolarHBondContact O-N 2.66Å; V73-V77 HydrophobicContact CB-CB 4.49Å; V73-V77 HydrophobicContact CG1-CB 4.33Å; V73-V77 HydrophobicContact CG2-CB 4.49Å; V73-V77 PolarHBondContact O-N 2.77Å; V73-V77 VanDerWaalsContact O-O 3.07Å; V73-L79 HydrophobicContact CG1-CD1 4.32Å; V73-L79 HydrophobicContact CG1-CD2 3.98Å; V73-L79 HydrophobicContact CG1-CG 4.13Å; V73-L116 HydrophobicContact CG2-CD1 3.43Å; V73-L116 VanDerWaalsContact CG2-CD1 3.43Å
74	R	92.9	Very high	94.5	Very high	193 Å²	193	57.4 Å²	57.4	73%	0.728	29%	0.287	S	S	*	.	H	α-helix	trans	-60.8	-25	-179.1	-74.5	-177.8	-177	-164.5	2.8	114.6	E70	E70-R74 WeakPolarHBondContact O-CB 3.35Å; E70-R74 VanDerWaalsContact O-CG 3.3Å; E70-R74 WeakPolarHBondContact O-CG 3.41Å; E70-R74 PolarHBondContact O-N 2.91Å; E70-R74 VanDerWaalsContact O-N 3.13Å; E70-R74 IonicContact OE1-CZ 3.06Å; E70-R74 IonicContact OE1-NE 3.85Å; E70-R74 PolarHBondContact OE1-NE 3.23Å; E70-R74 IonicContact OE1-NH2 3.5Å; E70-R74 PolarHBondContact OE1-NH2 3.4Å
75	T	92.1	Very high	94.3	Very high	92 Å²	92	61 Å²	61	56%	0.564	31%	0.311	S	S	*	.	H	α-helix	trans	-104.6	-24.8	-173.1	55.3	0	0	0	0	113.4	Q71 G72 V73	Q71-T75 WeakPolarHBondContact O-CG2 3.08Å; Q71-T75 PolarHBondContact O-N 3.19Å; Q71-T75 PolarHBondContact O-OG1 2.79Å; G72-T75 PolarHBondContact O-N 3.29Å; G72-T75 PolarHBondContact O-OG1 3.41Å; V73-T75 PolarHBondContact O-N 3.41Å; V73-T75 VanDerWaalsContact O-N 3.11Å
76	Q	94.6	Very high	94	Very high	40 Å²	40	63.5 Å²	63.5	19%	0.187	32%	0.322	C	S	.	.	H	α-helix	trans	-135.2	-8.4	-166.7	-62.9	170.7	57.2	0	0	114.3	Y44 G72 V73 L107	Y44-Q76 PolarHBondContact OH-OE1 2.71Å; G72-Q76 WeakPolarHBondContact O-CB 3.32Å; G72-Q76 PolarHBondContact O-N 3.22Å; V73-Q76 PolarHBondContact O-N 2.66Å; Q76-L107 VanDerWaalsContact O-CB 3.31Å; Q76-L107 WeakPolarHBondContact O-CB 3.12Å; Q76-L107 WeakPolarHBondContact O-CG 3.17Å; Q76-L107 PolarHBondContact O-N 3.03Å
77	V	97.2	Very high	93.8	Very high	13 Å²	13	63.5 Å²	63.5	8%	0.079	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.1	-173.4	-175.9	0	0	0	0	110.8	A37 V73 L79 R105 V114 L116	A37-V77 HydrophobicContact CB-CG2 3.65Å; V73-V77 HydrophobicContact CB-CB 4.49Å; V73-V77 HydrophobicContact CG1-CB 4.33Å; V73-V77 HydrophobicContact CG2-CB 4.49Å; V73-V77 PolarHBondContact O-N 2.77Å; V73-V77 VanDerWaalsContact O-O 3.07Å; V77-L79 HydrophobicContact CG1-CD2 4.45Å; V77-R105 WeakPolarHBondContact CA-O 3.49Å; V77-V114 HydrophobicContact CG1-CG2 3.8Å; V77-L116 HydrophobicContact CG1-CD1 4.3Å; V77-L116 HydrophobicContact CG2-CD1 4.25Å
78	E	97.1	Very high	93.8	Very high	97 Å²	97	67.4 Å²	67.4	45%	0.453	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.6	166.2	-178.8	-179.5	-161.8	0	0	108.6	L80 G104 R105 L107	E78-L80 HydrophobicContact CG-CD2 3.91Å; E78-L80 HydrophobicContact CG-CG 4.37Å; E78-G104 CarbonylContact O-C 3.24Å; E78-G104 WeakPolarHBondContact O-CA 3.09Å; E78-R105 PolarHBondContact N-O 3.19Å; E78-R105 PolarHBondContact O-N 2.97Å; E78-L107 HydrophobicContact CB-CD2 4.02Å; E78-L107 HydrophobicContact CB-CG 4.41Å
79	L	97.2	Very high	93.8	Very high	91 Å²	91	70.1 Å²	70.1	48%	0.476	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.1	176.6	-65.2	178.9	0	0	0	110.1	V73 V77	V73-L79 HydrophobicContact CG1-CD1 4.32Å; V73-L79 HydrophobicContact CG1-CD2 3.98Å; V73-L79 HydrophobicContact CG1-CG 4.13Å; V77-L79 HydrophobicContact CG1-CD2 4.45Å
80	L	96.3	Very high	93.9	Very high	60 Å²	60	68.3 Å²	68.3	31%	0.314	34%	0.338	S	S	.	.			trans	-132.5	162.6	-174.7	-61.6	177.4	0	0	0	110.5	E78 F103 R105	E78-L80 HydrophobicContact CG-CD2 3.91Å; E78-L80 HydrophobicContact CG-CG 4.37Å; L80-F103 HydrophobicContact CB-CD1 3.99Å; L80-F103 HydrophobicContact CB-CE1 4.11Å; L80-F103 PolarHBondContact N-O 2.81Å; L80-R105 HydrophobicContact CD1-CB 3.72Å
81	E	94	Very high	94.1	Very high	136 Å²	136	64.6 Å²	64.6	64%	0.636	32%	0.321	S	S	*	.			trans	-75.3	142.6	163.1	-74.4	-70.7	135.9	0	0	109.8	K88 F103	E81-K88 IonicContact OE2-NZ 2.67Å; E81-K88 PolarHBondContact OE2-NZ 3.4Å; E81-F103 WeakPolarHBondContact O-CE1 3.48Å
82	P	93.7	Very high	94.4	Very high	22 Å²	22	61.2 Å²	61.2	14%	0.143	31%	0.307	C	S	.	.			trans	-58.7	133.2	176.5	-24.6	35.5	0	0	0	111.6	L87 K88 L91 F103	P82-L87 HydrophobicContact CB-CB 4.2Å; P82-L87 HydrophobicContact CB-CD2 4.09Å; P82-L87 HydrophobicContact CB-CG 4.02Å; P82-K88 HydrophobicContact CB-CB 4.09Å; P82-K88 HydrophobicContact CG-CB 4.31Å; P82-L91 HydrophobicContact CG-CD2 3.63Å; P82-F103 HydrophobicContact CB-CD1 4.44Å; P82-F103 HydrophobicContact CB-CG 4.45Å; P82-F103 HydrophobicContact CG-CB 4.12Å; P82-F103 HydrophobicContact CG-CD1 4.36Å; P82-F103 HydrophobicContact CG-CG 4.19Å
83	P	88.3	Confident	94.7	Very high	80 Å²	80	61.8 Å²	61.8	52%	0.519	31%	0.311	S	S	.	.	S	Bend	trans	-71.4	-32.1	-174	27.3	-35.9	0	0	0	112.6	F103 L113	P83-F103 HydrophobicContact CG-CE1 4.49Å; P83-F103 HydrophobicContact CG-CZ 4.05Å; P83-L113 HydrophobicContact CG-CD1 4.19Å
84	T	90.7	Very high	94.9	Very high	45 Å²	45	61.3 Å²	61.3	28%	0.276	31%	0.308	S	S	.	.	S	Bend	trans	-103.9	140	-177.8	60.3	0	0	0	0	111.7	E86 L87 K88	T84-E86 PolarHBondContact O-N 3.49Å; T84-L87 PolarHBondContact O-N 3.35Å; T84-L87 WeakPolarHBondContact OG1-CB 3.43Å; T84-L87 PolarHBondContact OG1-N 3.27Å; T84-K88 PolarHBondContact O-N 3.3Å
85	P	93.3	Very high	95.1	Very high	77 Å²	77	55 Å²	55	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-55.7	-35.5	175	-26.3	34.6	0	0	0	113.5	K88 R89	P85-K88 PolarHBondContact O-N 2.84Å; P85-R89 VanDerWaalsContact CB-NH1 3.35Å; P85-R89 WeakPolarHBondContact O-CG 3.28Å; P85-R89 PolarHBondContact O-N 3.46Å
86	E	93.1	Very high	95.3	Very high	52 Å²	52	55.3 Å²	55.3	24%	0.243	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-47.6	-179.7	-63.7	56.4	-121.6	0	0	110.2	T84 R89 T90 N169	T84-E86 PolarHBondContact O-N 3.49Å; E86-R89 PolarHBondContact O-N 3.26Å; E86-R89 IonicContact OE1-CZ 2.99Å; E86-R89 IonicContact OE1-NH1 2.7Å; E86-R89 IonicContact OE1-NH2 2.98Å; E86-R89 PolarHBondContact OE1-NH2 3.32Å; E86-T90 WeakPolarHBondContact O-CB 3.3Å; E86-T90 PolarHBondContact O-N 3.04Å; E86-T90 PolarHBondContact O-OG1 3.27Å; E86-N169 WeakPolarHBondContact CG-OD1 3.47Å
87	L	94.6	Very high	95.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.2	-40.5	176.6	-173.6	62.5	0	0	0	110.8	Y63 P82 T84 T90 L91 F103 F161 F165	Y63-L87 HydrophobicContact CD1-CD2 4.35Å; Y63-L87 HydrophobicContact CE1-CD2 3.77Å; P82-L87 HydrophobicContact CB-CB 4.2Å; P82-L87 HydrophobicContact CB-CD2 4.09Å; P82-L87 HydrophobicContact CB-CG 4.02Å; T84-L87 PolarHBondContact O-N 3.35Å; T84-L87 WeakPolarHBondContact OG1-CB 3.43Å; T84-L87 PolarHBondContact OG1-N 3.27Å; L87-T90 WeakPolarHBondContact O-CB 3.42Å; L87-T90 PolarHBondContact O-N 3.42Å; L87-L91 HydrophobicContact CD1-CD1 3.72Å; L87-L91 HydrophobicContact CG-CD1 4.14Å; L87-L91 WeakPolarHBondContact O-CD1 3.46Å; L87-L91 PolarHBondContact O-N 2.95Å; L87-F103 HydrophobicContact CD2-CD2 3.87Å; L87-F103 HydrophobicContact CD2-CE2 3.56Å; L87-F103 HydrophobicContact CD2-CZ 4.27Å; L87-F161 HydrophobicContact CD1-CE2 3.69Å; L87-F161 HydrophobicContact CD1-CZ 3.75Å; L87-F165 HydrophobicContact CD1-CD2 4.15Å; L87-F165 HydrophobicContact CD1-CE2 4.37Å
88	K	96.3	Very high	94.9	Very high	83 Å²	83	59.3 Å²	59.3	36%	0.361	32%	0.321	S	S	.	.	H	α-helix	trans	-58.9	-50.2	175	-175	165.2	-178.9	141.9	0	112.1	E81 P82 T84 P85 T90 L91 D92	E81-K88 IonicContact OE2-NZ 2.67Å; E81-K88 PolarHBondContact OE2-NZ 3.4Å; P82-K88 HydrophobicContact CB-CB 4.09Å; P82-K88 HydrophobicContact CG-CB 4.31Å; T84-K88 PolarHBondContact O-N 3.3Å; P85-K88 PolarHBondContact O-N 2.84Å; K88-T90 VanDerWaalsContact C-N 3.25Å; K88-T90 PolarHBondContact O-N 2.76Å; K88-L91 PolarHBondContact O-N 3.16Å; K88-D92 WeakPolarHBondContact O-CB 3.19Å; K88-D92 VanDerWaalsContact O-CG 3.29Å; K88-D92 PolarHBondContact O-N 3.12Å
89	R	97.1	Very high	94.8	Very high	95 Å²	95	54.9 Å²	54.9	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-58.4	-38.5	175.6	-72.4	-171	-59.8	-87.5	3.7	112.1	P85 E86 S93 Q168	P85-R89 VanDerWaalsContact CB-NH1 3.35Å; P85-R89 WeakPolarHBondContact O-CG 3.28Å; P85-R89 PolarHBondContact O-N 3.46Å; E86-R89 PolarHBondContact O-N 3.26Å; E86-R89 IonicContact OE1-CZ 2.99Å; E86-R89 IonicContact OE1-NH1 2.7Å; E86-R89 IonicContact OE1-NH2 2.98Å; E86-R89 PolarHBondContact OE1-NH2 3.32Å; R89-S93 WeakPolarHBondContact O-CB 3.36Å; R89-S93 PolarHBondContact O-N 2.95Å; R89-Q168 HydrophobicContact CB-CB 4.44Å; R89-Q168 HydrophobicContact CB-CG 4.16Å; R89-Q168 PolarHBondContact NH2-O 3.44Å
90	T	97.1	Very high	94.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-51.3	176.8	-58	0	0	0	0	111.2	E86 L87 K88 S93 M94 F161 E164 F165	E86-T90 WeakPolarHBondContact O-CB 3.3Å; E86-T90 PolarHBondContact O-N 3.04Å; E86-T90 PolarHBondContact O-OG1 3.27Å; L87-T90 WeakPolarHBondContact O-CB 3.42Å; L87-T90 PolarHBondContact O-N 3.42Å; K88-T90 VanDerWaalsContact C-N 3.25Å; K88-T90 PolarHBondContact O-N 2.76Å; T90-S93 PolarHBondContact O-N 2.81Å; T90-M94 WeakPolarHBondContact O-CG 3.24Å; T90-M94 PolarHBondContact O-N 3.17Å; T90-F161 HydrophobicContact CG2-CD2 3.8Å; T90-F161 HydrophobicContact CG2-CE2 3.86Å; T90-E164 HydrophobicContact CG2-CB 3.96Å; T90-E164 HydrophobicContact CG2-CG 3.91Å; T90-F165 HydrophobicContact CG2-CB 4.07Å; T90-F165 WeakPolarHBondContact OG1-CA 3.41Å
91	L	97	Very high	94.8	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-44.7	-179.3	-89.7	53.6	0	0	0	111.7	P82 L87 K88 S93 M94 N95 V101 F103 F161	P82-L91 HydrophobicContact CG-CD2 3.63Å; L87-L91 HydrophobicContact CD1-CD1 3.72Å; L87-L91 HydrophobicContact CG-CD1 4.14Å; L87-L91 WeakPolarHBondContact O-CD1 3.46Å; L87-L91 PolarHBondContact O-N 2.95Å; K88-L91 PolarHBondContact O-N 3.16Å; L91-S93 PolarHBondContact O-N 3.28Å; L91-M94 PolarHBondContact O-N 2.66Å; L91-N95 VanDerWaalsContact O-CB 3.32Å; L91-N95 WeakPolarHBondContact O-CB 3.48Å; L91-N95 VanDerWaalsContact O-CG 3.29Å; L91-N95 PolarHBondContact O-N 2.91Å; L91-N95 PolarHBondContact O-ND2 3.41Å; L91-V101 HydrophobicContact CD1-CG1 4.14Å; L91-V101 HydrophobicContact CD2-CG1 4.43Å; L91-V101 HydrophobicContact CG-CB 4.31Å; L91-V101 HydrophobicContact CG-CG1 3.81Å; L91-F103 HydrophobicContact CD2-CB 3.76Å; L91-F161 HydrophobicContact CD1-CD2 4.18Å; L91-F161 HydrophobicContact CD1-CE2 3.67Å
92	D	96.9	Very high	95	Very high	87 Å²	87	49.7 Å²	49.7	47%	0.465	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-42.6	177.3	-70.4	-20.3	0	0	0	111.5	K88 N95 S96	K88-D92 WeakPolarHBondContact O-CB 3.19Å; K88-D92 VanDerWaalsContact O-CG 3.29Å; K88-D92 PolarHBondContact O-N 3.12Å; D92-N95 PolarHBondContact O-N 3.11Å; D92-S96 VanDerWaalsContact O-CB 3.3Å; D92-S96 WeakPolarHBondContact O-CB 3.4Å; D92-S96 PolarHBondContact O-N 3.32Å; D92-S96 PolarHBondContact O-OG 3.48Å
93	S	97.1	Very high	95.2	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	27%	0.265	C	S	.	.	H	α-helix	trans	-60.1	-47.4	175.8	179.9	0	0	0	0	111.3	R89 T90 L91 S96 K97 E164	R89-S93 WeakPolarHBondContact O-CB 3.36Å; R89-S93 PolarHBondContact O-N 2.95Å; T90-S93 PolarHBondContact O-N 2.81Å; L91-S93 PolarHBondContact O-N 3.28Å; S93-S96 PolarHBondContact O-N 3.17Å; S93-S96 PolarHBondContact O-OG 3Å; S93-K97 WeakPolarHBondContact O-CG 3.48Å; S93-K97 PolarHBondContact O-N 2.82Å; S93-K97 WeakPolarHBondContact OG-CE 3.35Å; S93-K97 PolarHBondContact OG-NZ 3.48Å; S93-K97 VanDerWaalsContact OG-NZ 3.07Å; S93-E164 VanDerWaalsContact CB-OE1 3.29Å; S93-E164 WeakPolarHBondContact CB-OE1 3.42Å; S93-E164 PolarHBondContact OG-OE1 3.19Å; S93-E164 PolarHBondContact OG-OE2 3.31Å
94	M	97	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-44.8	177.3	-69.9	-175.1	74.2	0	0	112.5	T90 L91 S96 K97 C99 V101 L157 W160 F161 E164	T90-M94 WeakPolarHBondContact O-CG 3.24Å; T90-M94 PolarHBondContact O-N 3.17Å; L91-M94 PolarHBondContact O-N 2.66Å; M94-S96 VanDerWaalsContact C-N 3.33Å; M94-S96 PolarHBondContact O-N 2.89Å; M94-K97 PolarHBondContact O-N 2.84Å; M94-K97 VanDerWaalsContact O-N 3.14Å; M94-C99 HydrophobicContact CB-CB 4.3Å; M94-C99 WeakPolarHBondContact O-CB 3.18Å; M94-C99 PolarHBondContact O-N 3.31Å; M94-V101 HydrophobicContact CB-CG2 4.1Å; M94-V101 HydrophobicContact CE-CG2 3.94Å; M94-V101 HydrophobicContact SD-CG2 4.1Å; M94-L157 HydrophobicContact CE-CD2 4.36Å; M94-W160 HydrophobicContact CE-CB 4.11Å; M94-W160 HydrophobicContact CE-CD2 4.43Å; M94-W160 HydrophobicContact CE-CG 4.09Å; M94-F161 HydrophobicContact CE-CB 4.05Å; M94-F161 VanDerWaalsContact SD-CA 3.52Å; M94-F161 HydrophobicContact SD-CB 3.72Å; M94-F161 HydrophobicContact SD-CD2 4.02Å; M94-F161 HydrophobicContact SD-CG 4.39Å; M94-E164 HydrophobicContact CG-CG 4.45Å
95	N	96.2	Very high	95.9	Very high	62 Å²	62	47.7 Å²	47.7	33%	0.332	24%	0.244	S	C	.	.	H	α-helix	trans	-62.9	-39.4	178.8	-75.5	-31.8	0	0	0	111.7	L91 D92 K97 G98 C99 K100 V101	L91-N95 VanDerWaalsContact O-CB 3.32Å; L91-N95 WeakPolarHBondContact O-CB 3.48Å; L91-N95 VanDerWaalsContact O-CG 3.29Å; L91-N95 PolarHBondContact O-N 2.91Å; L91-N95 PolarHBondContact O-ND2 3.41Å; D92-N95 PolarHBondContact O-N 3.11Å; N95-K97 PolarHBondContact O-N 3.06Å; N95-G98 PolarHBondContact O-N 2.99Å; N95-G98 VanDerWaalsContact O-N 3.12Å; N95-C99 WeakPolarHBondContact CA-O 3.35Å; N95-C99 PolarHBondContact OD1-O 2.88Å; N95-K100 WeakPolarHBondContact OD1-CA 3.22Å; N95-V101 PolarHBondContact ND2-O 3.33Å; N95-V101 PolarHBondContact OD1-N 3.08Å
96	S	95.9	Very high	96.1	Very high	97 Å²	97	44 Å²	44	68%	0.678	22%	0.22	S	C	*	.	H	α-helix	trans	-63.2	-24.9	176.1	77	0	0	0	0	113.7	D92 S93 M94 G98	D92-S96 VanDerWaalsContact O-CB 3.3Å; D92-S96 WeakPolarHBondContact O-CB 3.4Å; D92-S96 PolarHBondContact O-N 3.32Å; D92-S96 PolarHBondContact O-OG 3.48Å; S93-S96 PolarHBondContact O-N 3.17Å; S93-S96 PolarHBondContact O-OG 3Å; M94-S96 VanDerWaalsContact C-N 3.33Å; M94-S96 PolarHBondContact O-N 2.89Å; S96-G98 VanDerWaalsContact C-N 3.33Å
97	K	93.9	Very high	96.3	Very high	98 Å²	98	46.7 Å²	46.7	43%	0.426	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	12.2	179	-62.6	171.6	-164.6	164	0	112.7	S93 M94 N95 W160 E164	S93-K97 WeakPolarHBondContact O-CG 3.48Å; S93-K97 PolarHBondContact O-N 2.82Å; S93-K97 WeakPolarHBondContact OG-CE 3.35Å; S93-K97 PolarHBondContact OG-NZ 3.48Å; S93-K97 VanDerWaalsContact OG-NZ 3.07Å; M94-K97 PolarHBondContact O-N 2.84Å; M94-K97 VanDerWaalsContact O-N 3.14Å; N95-K97 PolarHBondContact O-N 3.06Å; K97-W160 HydrophobicContact CB-CH2 4.04Å; K97-W160 HydrophobicContact CB-CZ2 4.05Å; K97-W160 HydrophobicContact CD-CH2 4.29Å; K97-W160 HydrophobicContact CD-CZ2 3.51Å; K97-W160 HydrophobicContact CG-CZ2 4.41Å; K97-E164 IonicContact NZ-OE1 2.93Å; K97-E164 IonicContact NZ-OE2 3.72Å; K97-E164 PolarHBondContact NZ-OE2 3.39Å
98	G	90.7	Very high	96.3	Very high	40 Å²	40	47.9 Å²	47.9	41%	0.412	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	11.9	173.7	0	0	0	0	0	115.3	N95 S96	N95-G98 PolarHBondContact O-N 2.99Å; N95-G98 VanDerWaalsContact O-N 3.12Å; S96-G98 VanDerWaalsContact C-N 3.33Å
99	C	95.1	Very high	95.9	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.027	25%	0.246	C	C	.	.			trans	-81	166.9	164.1	-57.8	0	0	0	0	110	M94 N95 V101 L157	M94-C99 HydrophobicContact CB-CB 4.3Å; M94-C99 WeakPolarHBondContact O-CB 3.18Å; M94-C99 PolarHBondContact O-N 3.31Å; N95-C99 WeakPolarHBondContact CA-O 3.35Å; N95-C99 PolarHBondContact OD1-O 2.88Å; C99-V101 HydrophobicContact CB-CG2 4.42Å; C99-L157 HydrophobicContact CB-CD2 4.24Å
100	K	96.6	Very high	95.5	Very high	105 Å²	105	46.4 Å²	46.4	46%	0.457	25%	0.252	S	S	.	.			trans	-126.2	113.7	165.1	-69.7	-172.6	-169.9	175	0	109.5	N95 Y102 D118 A121	N95-K100 WeakPolarHBondContact OD1-CA 3.22Å; K100-Y102 HydrophobicContact CB-CE2 3.96Å; K100-D118 HydrophobicContact CB-CB 3.84Å; K100-D118 WeakPolarHBondContact O-CB 3.48Å; K100-D118 PolarHBondContact O-N 3.07Å; K100-A121 HydrophobicContact CB-CB 3.85Å; K100-A121 HydrophobicContact CD-CB 3.72Å; K100-A121 HydrophobicContact CG-CB 3.73Å
101	V	97.2	Very high	95.4	Very high	8 Å²	8	47 Å²	47	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	130.5	-179.4	-174.2	0	0	0	0	108.7	L91 M94 N95 C99 V115 L117	L91-V101 HydrophobicContact CD1-CG1 4.14Å; L91-V101 HydrophobicContact CD2-CG1 4.43Å; L91-V101 HydrophobicContact CG-CB 4.31Å; L91-V101 HydrophobicContact CG-CG1 3.81Å; M94-V101 HydrophobicContact CB-CG2 4.1Å; M94-V101 HydrophobicContact CE-CG2 3.94Å; M94-V101 HydrophobicContact SD-CG2 4.1Å; N95-V101 PolarHBondContact ND2-O 3.33Å; N95-V101 PolarHBondContact OD1-N 3.08Å; C99-V101 HydrophobicContact CB-CG2 4.42Å; V101-V115 HydrophobicContact CG1-CG1 3.6Å; V101-L117 HydrophobicContact CB-CD2 4.36Å; V101-L117 HydrophobicContact CG1-CD2 3.82Å; V101-L117 HydrophobicContact CG2-CD2 3.78Å
102	Y	97.2	Very high	95.4	Very high	65 Å²	65	47.1 Å²	47.1	26%	0.255	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	146.8	-178.3	-59.7	-93.2	0	0	0	110	Y68 K100 V115 L116 D118	Y68-Y102 HydrophobicContact CD1-CE2 4.42Å; Y68-Y102 HydrophobicContact CD2-CD1 4.48Å; Y68-Y102 AromaticContact CD2-CD2 3.31Å; Y68-Y102 HydrophobicContact CD2-CD2 3.31Å; Y68-Y102 AromaticContact CD2-CE2 3.67Å; Y68-Y102 HydrophobicContact CD2-CE2 3.67Å; Y68-Y102 AromaticContact CD2-CG 3.77Å; Y68-Y102 HydrophobicContact CD2-CG 3.77Å; Y68-Y102 HydrophobicContact CE2-CD1 4.16Å; Y68-Y102 AromaticContact CE2-CD2 3.74Å; Y68-Y102 HydrophobicContact CE2-CD2 3.74Å; Y68-Y102 HydrophobicContact CE2-CE1 4.24Å; Y68-Y102 AromaticContact CE2-CE2 3.84Å; Y68-Y102 HydrophobicContact CE2-CE2 3.84Å; Y68-Y102 AromaticContact CE2-CG 3.91Å; Y68-Y102 HydrophobicContact CE2-CG 3.91Å; Y68-Y102 AromaticContact CG-CD2 3.9Å; Y68-Y102 HydrophobicContact CG-CD2 3.9Å; Y68-Y102 AromaticContact CG-CE2 3.98Å; Y68-Y102 HydrophobicContact CG-CE2 3.98Å; K100-Y102 HydrophobicContact CB-CE2 3.96Å; Y102-V115 WeakPolarHBondContact O-CA 3.27Å; Y102-L116 PolarHBondContact N-O 3.38Å; Y102-L116 PolarHBondContact O-N 3.36Å; Y102-D118 HydrophobicContact CE2-CB 4.2Å
103	F	98.1	Very high	95.4	Very high	11 Å²	11	43.4 Å²	43.4	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.2	174.9	-175.8	-99.8	0	0	0	110.1	Y63 L80 E81 P82 P83 L87 L91 L113 V114 V115	Y63-F103 HydrophobicContact CD1-CE2 4.14Å; Y63-F103 HydrophobicContact CE1-CE2 4.03Å; Y63-F103 HydrophobicContact CE1-CZ 4.44Å; L80-F103 HydrophobicContact CB-CD1 3.99Å; L80-F103 HydrophobicContact CB-CE1 4.11Å; L80-F103 PolarHBondContact N-O 2.81Å; E81-F103 WeakPolarHBondContact O-CE1 3.48Å; P82-F103 HydrophobicContact CB-CD1 4.44Å; P82-F103 HydrophobicContact CB-CG 4.45Å; P82-F103 HydrophobicContact CG-CB 4.12Å; P82-F103 HydrophobicContact CG-CD1 4.36Å; P82-F103 HydrophobicContact CG-CG 4.19Å; P83-F103 HydrophobicContact CG-CE1 4.49Å; P83-F103 HydrophobicContact CG-CZ 4.05Å; L87-F103 HydrophobicContact CD2-CD2 3.87Å; L87-F103 HydrophobicContact CD2-CE2 3.56Å; L87-F103 HydrophobicContact CD2-CZ 4.27Å; L91-F103 HydrophobicContact CD2-CB 3.76Å; F103-L113 HydrophobicContact CE1-CD2 4.25Å; F103-L113 HydrophobicContact CE2-CB 4.16Å; F103-L113 HydrophobicContact CZ-CB 4.02Å; F103-L113 HydrophobicContact CZ-CD1 4.08Å; F103-L113 HydrophobicContact CZ-CD2 3.74Å; F103-L113 HydrophobicContact CZ-CG 4.14Å; F103-V114 WeakPolarHBondContact CA-O 3.26Å; F103-V114 WeakPolarHBondContact CD2-O 3.34Å; F103-V115 HydrophobicContact CD2-CG2 4.13Å
104	G	97	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-168	178.1	0	0	0	0	0	113.6	E78 V114	E78-G104 CarbonylContact O-C 3.24Å; E78-G104 WeakPolarHBondContact O-CA 3.09Å; G104-V114 PolarHBondContact N-O 3.37Å; G104-V114 WeakPolarHBondContact O-CG2 3.48Å; G104-V114 PolarHBondContact O-N 3.25Å
105	R	97.3	Very high	95.5	Very high	93 Å²	93	42.6 Å²	42.6	35%	0.351	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.3	174.6	-170.8	175.4	-63.2	-90.9	2.7	109.5	V77 E78 L80 L107 G111	V77-R105 WeakPolarHBondContact CA-O 3.49Å; E78-R105 PolarHBondContact N-O 3.19Å; E78-R105 PolarHBondContact O-N 2.97Å; L80-R105 HydrophobicContact CD1-CB 3.72Å; R105-L107 PolarHBondContact O-N 3.1Å; R105-G111 WeakPolarHBondContact CD-O 3.35Å; R105-G111 WeakPolarHBondContact CG-O 3.4Å; R105-G111 PolarHBondContact NH1-O 3.34Å
106	W	97.5	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122.3	174.4	-164.6	2.2	0	0	0	109.4	Y44 L47 Q48 L64 I108 G111 P112 V114	Y44-W106 HydrophobicContact CD2-CH2 4.26Å; Y44-W106 AromaticContact CD2-CZ2 3.95Å; Y44-W106 HydrophobicContact CD2-CZ2 3.95Å; Y44-W106 HydrophobicContact CE2-CH2 4.16Å; Y44-W106 AromaticContact CE2-CZ2 3.4Å; Y44-W106 HydrophobicContact CE2-CZ2 3.4Å; Y44-W106 VanDerWaalsContact CE2-CZ2 3.4Å; Y44-W106 AromaticContact CZ-CZ2 3.72Å; L47-W106 HydrophobicContact CB-CH2 4.37Å; L47-W106 HydrophobicContact CB-CZ3 4.2Å; Q48-W106 HydrophobicContact CB-CH2 3.99Å; Q48-W106 HydrophobicContact CB-CZ2 4.23Å; L64-W106 HydrophobicContact CD1-CE3 3.8Å; L64-W106 HydrophobicContact CD1-CZ3 4.02Å; W106-I108 HydrophobicContact CB-CG1 4.14Å; W106-I108 HydrophobicContact CD2-CD1 3.54Å; W106-I108 HydrophobicContact CD2-CG1 3.93Å; W106-I108 HydrophobicContact CD2-CG2 4.2Å; W106-I108 HydrophobicContact CE3-CD1 3.48Å; W106-I108 VanDerWaalsContact CE3-CD1 3.48Å; W106-I108 HydrophobicContact CE3-CG1 4.3Å; W106-I108 HydrophobicContact CG-CD1 4.03Å; W106-I108 HydrophobicContact CG-CG1 3.86Å; W106-I108 HydrophobicContact CG-CG2 4.14Å; W106-I108 HydrophobicContact CH2-CD1 4.19Å; W106-I108 HydrophobicContact CZ2-CD1 4.24Å; W106-I108 HydrophobicContact CZ2-CG2 4.33Å; W106-I108 HydrophobicContact CZ3-CD1 3.84Å; W106-I108 PolarHBondContact O-N 3.47Å; W106-G111 WeakPolarHBondContact O-CA 2.94Å; W106-P112 HydrophobicContact CB-CG 4.13Å; W106-P112 HydrophobicContact CE3-CG 4.37Å; W106-P112 PolarHBondContact N-O 3.31Å; W106-V114 HydrophobicContact CB-CG1 3.82Å
107	L	96.4	Very high	95.7	Very high	108 Å²	108	35 Å²	35	57%	0.565	19%	0.187	S	C	*	.	S	Bend	trans	-77.4	62.7	-176.6	-60.8	176.6	0	0	0	111.9	Q76 E78 R105	Q76-L107 VanDerWaalsContact O-CB 3.31Å; Q76-L107 WeakPolarHBondContact O-CB 3.12Å; Q76-L107 WeakPolarHBondContact O-CG 3.17Å; Q76-L107 PolarHBondContact O-N 3.03Å; E78-L107 HydrophobicContact CB-CD2 4.02Å; E78-L107 HydrophobicContact CB-CG 4.41Å; R105-L107 PolarHBondContact O-N 3.1Å
108	I	93.9	Very high	95.9	Very high	25 Å²	25	31.7 Å²	31.7	13%	0.128	17%	0.173	C	C	.	.	S	Bend	trans	-130.1	174.5	177.4	59.1	165.3	0	0	0	109.9	Q48 A51 W106 G110 G111 P112	Q48-I108 HydrophobicContact CB-CD1 4.25Å; Q48-I108 HydrophobicContact CG-CB 4.19Å; Q48-I108 HydrophobicContact CG-CD1 4Å; Q48-I108 HydrophobicContact CG-CG2 3.95Å; A51-I108 HydrophobicContact CB-CD1 3.75Å; W106-I108 HydrophobicContact CB-CG1 4.14Å; W106-I108 HydrophobicContact CD2-CD1 3.54Å; W106-I108 HydrophobicContact CD2-CG1 3.93Å; W106-I108 HydrophobicContact CD2-CG2 4.2Å; W106-I108 HydrophobicContact CE3-CD1 3.48Å; W106-I108 VanDerWaalsContact CE3-CD1 3.48Å; W106-I108 HydrophobicContact CE3-CG1 4.3Å; W106-I108 HydrophobicContact CG-CD1 4.03Å; W106-I108 HydrophobicContact CG-CG1 3.86Å; W106-I108 HydrophobicContact CG-CG2 4.14Å; W106-I108 HydrophobicContact CH2-CD1 4.19Å; W106-I108 HydrophobicContact CZ2-CD1 4.24Å; W106-I108 HydrophobicContact CZ2-CG2 4.33Å; W106-I108 HydrophobicContact CZ3-CD1 3.84Å; W106-I108 PolarHBondContact O-N 3.47Å; I108-G110 PolarHBondContact O-N 2.89Å; I108-G111 WeakPolarHBondContact O-CA 3.47Å; I108-G111 PolarHBondContact O-N 3.13Å; I108-P112 HydrophobicContact CD1-CG 4.11Å; I108-P112 HydrophobicContact CG1-CG 4.29Å
109	E	89.1	Confident	96.1	Very high	100 Å²	100	30.5 Å²	30.5	47%	0.467	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	133.2	174	-168.5	178.6	-173.4	0	0	111.1	K52 G111 N283	K52-E109 HydrophobicContact CB-CG 4.23Å; K52-E109 HydrophobicContact CD-CG 3.76Å; K52-E109 VanDerWaalsContact CD-OE1 3.26Å; K52-E109 WeakPolarHBondContact CD-OE1 3.45Å; E109-G111 PolarHBondContact O-N 3.4Å; E109-N283 PolarHBondContact OE2-ND2 3.4Å
110	G	89.3	Confident	96.1	Very high	47 Å²	47	32.7 Å²	32.7	49%	0.485	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.7	-21.8	-171.6	0	0	0	0	0	114.3	I108	I108-G110 PolarHBondContact O-N 2.89Å
111	G	94.4	Very high	96	Very high	14 Å²	14	29 Å²	29	14%	0.144	17%	0.17	C	C	.	.			trans	50.3	52.5	176.3	0	0	0	0	0	114.5	R105 W106 I108 E109	R105-G111 WeakPolarHBondContact CD-O 3.35Å; R105-G111 WeakPolarHBondContact CG-O 3.4Å; R105-G111 PolarHBondContact NH1-O 3.34Å; W106-G111 WeakPolarHBondContact O-CA 2.94Å; I108-G111 WeakPolarHBondContact O-CA 3.47Å; I108-G111 PolarHBondContact O-N 3.13Å; E109-G111 PolarHBondContact O-N 3.4Å
112	P	96.1	Very high	95.8	Very high	8 Å²	8	28.6 Å²	28.6	5%	0.052	17%	0.168	C	C	.	.			trans	-68.2	153.3	-174	32.7	-38.8	0	0	0	112.4	A51 Y62 L64 W106 I108	A51-P112 HydrophobicContact CB-CG 3.87Å; Y62-P112 HydrophobicContact CD1-CB 4.14Å; Y62-P112 HydrophobicContact CE1-CB 3.78Å; L64-P112 HydrophobicContact CD1-CB 3.87Å; L64-P112 HydrophobicContact CD1-CG 3.61Å; W106-P112 HydrophobicContact CB-CG 4.13Å; W106-P112 HydrophobicContact CE3-CG 4.37Å; W106-P112 PolarHBondContact N-O 3.31Å; I108-P112 HydrophobicContact CD1-CG 4.11Å; I108-P112 HydrophobicContact CG1-CG 4.29Å
113	L	97.5	Very high	95.7	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140	174.2	-60.9	175	0	0	0	110.2	Y63 L64 P83 F103	Y63-L113 HydrophobicContact CD1-CB 3.77Å; Y63-L113 HydrophobicContact CD1-CD1 4.23Å; Y63-L113 HydrophobicContact CE1-CB 4Å; Y63-L113 HydrophobicContact CE1-CD1 3.59Å; Y63-L113 HydrophobicContact CE1-CG 4.45Å; L64-L113 PolarHBondContact N-O 3.15Å; P83-L113 HydrophobicContact CG-CD1 4.19Å; F103-L113 HydrophobicContact CE1-CD2 4.25Å; F103-L113 HydrophobicContact CE2-CB 4.16Å; F103-L113 HydrophobicContact CZ-CB 4.02Å; F103-L113 HydrophobicContact CZ-CD1 4.08Å; F103-L113 HydrophobicContact CZ-CD2 3.74Å; F103-L113 HydrophobicContact CZ-CG 4.14Å
114	V	98	Very high	95.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.9	-179.2	-66.1	0	0	0	0	112.3	V36 L64 V77 F103 G104 W106 L116	V36-V114 HydrophobicContact CG1-CG1 4.01Å; L64-V114 HydrophobicContact CB-CG1 3.97Å; L64-V114 CarbonylContact O-C 3.55Å; L64-V114 VanDerWaalsContact O-CA 3.26Å; L64-V114 WeakPolarHBondContact O-CA 3.49Å; V77-V114 HydrophobicContact CG1-CG2 3.8Å; F103-V114 WeakPolarHBondContact CA-O 3.26Å; F103-V114 WeakPolarHBondContact CD2-O 3.34Å; G104-V114 PolarHBondContact N-O 3.37Å; G104-V114 WeakPolarHBondContact O-CG2 3.48Å; G104-V114 PolarHBondContact O-N 3.25Å; W106-V114 HydrophobicContact CB-CG1 3.82Å; V114-L116 HydrophobicContact CB-CD2 4.34Å; V114-L116 HydrophobicContact CB-CG 4.47Å; V114-L116 HydrophobicContact CG2-CD1 4.45Å; V114-L116 HydrophobicContact CG2-CG 4.3Å
115	V	98.4	Very high	95.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.9	166.8	-179.7	0	0	0	0	108	L64 V65 G66 V101 Y102 F103 L117 F161	L64-V115 PolarHBondContact O-N 3.42Å; V65-V115 WeakPolarHBondContact CA-O 3.42Å; V65-V115 HydrophobicContact CG2-CB 4.37Å; G66-V115 PolarHBondContact N-O 2.91Å; V101-V115 HydrophobicContact CG1-CG1 3.6Å; Y102-V115 WeakPolarHBondContact O-CA 3.27Å; F103-V115 HydrophobicContact CD2-CG2 4.13Å; V115-L117 HydrophobicContact CG1-CD2 4.28Å; V115-F161 HydrophobicContact CB-CZ 4.46Å; V115-F161 HydrophobicContact CG1-CD2 4.29Å; V115-F161 HydrophobicContact CG1-CE2 4.03Å; V115-F161 HydrophobicContact CG1-CZ 4.18Å; V115-F161 HydrophobicContact CG2-CE2 4.34Å; V115-F161 HydrophobicContact CG2-CZ 3.92Å
116	L	98.4	Very high	95.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.9	-175.7	-57.1	177.6	0	0	0	110.9	V36 A37 G66 Y68 V73 V77 Y102 V114	V36-L116 HydrophobicContact CG1-CD2 4.33Å; A37-L116 HydrophobicContact CB-CD2 4.46Å; G66-L116 CarbonylContact O-C 3.48Å; G66-L116 WeakPolarHBondContact O-CA 3.42Å; Y68-L116 HydrophobicContact CD2-CB 4.31Å; V73-L116 HydrophobicContact CG2-CD1 3.43Å; V73-L116 VanDerWaalsContact CG2-CD1 3.43Å; V77-L116 HydrophobicContact CG1-CD1 4.3Å; V77-L116 HydrophobicContact CG2-CD1 4.25Å; Y102-L116 PolarHBondContact N-O 3.38Å; Y102-L116 PolarHBondContact O-N 3.36Å; V114-L116 HydrophobicContact CB-CD2 4.34Å; V114-L116 HydrophobicContact CB-CG 4.47Å; V114-L116 HydrophobicContact CG2-CD1 4.45Å; V114-L116 HydrophobicContact CG2-CG 4.3Å
117	L	98.2	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	117	-174.5	-56.7	173.8	0	0	0	110	V65 G66 P67 Y68 V101 V115 V119 F154 L157 T158	V65-L117 HydrophobicContact CG1-CD1 3.79Å; V65-L117 HydrophobicContact CG1-CG 4.24Å; G66-L117 PolarHBondContact O-N 3.23Å; P67-L117 CarbonylContact C-O 3.59Å; P67-L117 WeakPolarHBondContact CA-O 3.39Å; Y68-L117 PolarHBondContact N-O 3.4Å; V101-L117 HydrophobicContact CB-CD2 4.36Å; V101-L117 HydrophobicContact CG1-CD2 3.82Å; V101-L117 HydrophobicContact CG2-CD2 3.78Å; V115-L117 HydrophobicContact CG1-CD2 4.28Å; L117-V119 PolarHBondContact O-N 2.83Å; L117-V119 VanDerWaalsContact O-N 3.11Å; L117-F154 HydrophobicContact CB-CD2 4.39Å; L117-F154 HydrophobicContact CB-CE2 4.41Å; L117-F154 HydrophobicContact CD1-CD2 4.14Å; L117-F154 HydrophobicContact CD1-CE2 3.9Å; L117-L157 HydrophobicContact CB-CB 4.38Å; L117-L157 HydrophobicContact CB-CD1 4.31Å; L117-L157 HydrophobicContact CD1-CB 3.92Å; L117-T158 WeakPolarHBondContact CD1-OG1 3.35Å
118	D	97.3	Very high	95.4	Very high	27 Å²	27	40.1 Å²	40.1	14%	0.144	22%	0.223	C	C	.	.			trans	-80.5	94.7	177.1	-176.4	-8.4	0	0	0	110.7	Y68 K100 Y102 G120 A121	Y68-D118 HydrophobicContact CD1-CB 4.44Å; Y68-D118 HydrophobicContact CG-CB 4.4Å; K100-D118 HydrophobicContact CB-CB 3.84Å; K100-D118 WeakPolarHBondContact O-CB 3.48Å; K100-D118 PolarHBondContact O-N 3.07Å; Y102-D118 HydrophobicContact CE2-CB 4.2Å; D118-G120 PolarHBondContact O-N 2.99Å; D118-G120 WeakPolarHBondContact OD1-CA 3.03Å; D118-G120 PolarHBondContact OD1-N 3.31Å; D118-A121 HydrophobicContact CB-CB 4.01Å; D118-A121 PolarHBondContact O-N 2.96Å; D118-A121 PolarHBondContact OD1-N 2.8Å; D118-A121 WeakPolarHBondContact OD2-CB 3.48Å
119	V	96	Very high	95.6	Very high	15 Å²	15	39.1 Å²	39.1	9%	0.091	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.8	176.1	-62.4	0	0	0	0	112	W34 L117 S122 A123 L153 F154 L157	W34-V119 HydrophobicContact CH2-CG1 4.5Å; W34-V119 HydrophobicContact CH2-CG2 4.32Å; W34-V119 HydrophobicContact CZ3-CG1 4.39Å; L117-V119 PolarHBondContact O-N 2.83Å; L117-V119 VanDerWaalsContact O-N 3.11Å; V119-S122 PolarHBondContact O-N 2.67Å; V119-A123 PolarHBondContact O-N 3.07Å; V119-L153 HydrophobicContact CB-CB 4.12Å; V119-L153 HydrophobicContact CB-CD1 4.5Å; V119-L153 HydrophobicContact CG1-CB 4.29Å; V119-F154 HydrophobicContact CG1-CB 3.89Å; V119-F154 HydrophobicContact CG1-CD2 4.29Å; V119-L157 HydrophobicContact CG1-CD1 4.36Å
120	G	94.3	Very high	96	Very high	51 Å²	51	35.4 Å²	35.4	53%	0.526	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-40	-179	0	0	0	0	0	112	D118 S122 A123	D118-G120 PolarHBondContact O-N 2.99Å; D118-G120 WeakPolarHBondContact OD1-CA 3.03Å; D118-G120 PolarHBondContact OD1-N 3.31Å; G120-S122 PolarHBondContact O-N 2.87Å; G120-A123 WeakPolarHBondContact O-CB 3.47Å; G120-A123 PolarHBondContact O-N 2.96Å
121	A	94.2	Very high	96.4	Very high	26 Å²	26	34.8 Å²	34.8	22%	0.215	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25	175.1	0	0	0	0	0	113.3	K100 D118 W124	K100-A121 HydrophobicContact CB-CB 3.85Å; K100-A121 HydrophobicContact CD-CB 3.72Å; K100-A121 HydrophobicContact CG-CB 3.73Å; D118-A121 HydrophobicContact CB-CB 4.01Å; D118-A121 PolarHBondContact O-N 2.96Å; D118-A121 PolarHBondContact OD1-N 2.8Å; D118-A121 WeakPolarHBondContact OD2-CB 3.48Å; A121-W124 PolarHBondContact O-NE1 2.79Å
122	S	94.3	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	10.1	179.8	-62.7	0	0	0	0	114.3	V119 G120 W124 A125 L153	V119-S122 PolarHBondContact O-N 2.67Å; G120-S122 PolarHBondContact O-N 2.87Å; S122-W124 PolarHBondContact O-N 2.99Å; S122-A125 PolarHBondContact O-N 2.89Å; S122-L153 WeakPolarHBondContact O-CD2 3.37Å
123	A	93.5	Very high	96.6	Very high	55 Å²	55	36.4 Å²	36.4	46%	0.455	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-56.7	-25.6	179.8	0	0	0	0	0	113.8	V119 G120 A125 L126	V119-A123 PolarHBondContact O-N 3.07Å; G120-A123 WeakPolarHBondContact O-CB 3.47Å; G120-A123 PolarHBondContact O-N 2.96Å; A123-A125 PolarHBondContact O-N 3.35Å; A123-L126 WeakPolarHBondContact O-CB 3.47Å; A123-L126 PolarHBondContact O-N 3.14Å
124	W	94.9	Very high	96.5	Very high	150 Å²	150	42.2 Å²	42.2	57%	0.568	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-59.7	-24.5	175.6	63.3	-97.9	0	0	0	113.7	A121 S122	A121-W124 PolarHBondContact O-NE1 2.79Å; S122-W124 PolarHBondContact O-N 2.99Å
125	A	95.2	Very high	96.5	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-91.8	-8	-178.1	0	0	0	0	0	113.7	S122 A123 E127 R128 W129	S122-A125 PolarHBondContact O-N 2.89Å; A123-A125 PolarHBondContact O-N 3.35Å; A125-E127 PolarHBondContact O-N 2.83Å; A125-R128 WeakPolarHBondContact O-CB 3.21Å; A125-R128 PolarHBondContact O-N 2.92Å; A125-R128 VanDerWaalsContact O-N 3.17Å; A125-W129 HydrophobicContact CB-CD2 3.74Å; A125-W129 HydrophobicContact CB-CE3 3.98Å; A125-W129 HydrophobicContact CB-CG 4.37Å; A125-W129 HydrophobicContact CB-CH2 3.95Å; A125-W129 HydrophobicContact CB-CZ2 3.73Å; A125-W129 HydrophobicContact CB-CZ3 4.08Å; A125-W129 PolarHBondContact O-N 3.36Å
126	L	96.6	Very high	96.3	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.131	27%	0.268	C	S	.	.	H	α-helix	trans	-54.3	-52.2	-167.4	178.5	61.4	0	0	0	113.2	A123 R128 W129 K130 N149 V152 L153	A123-L126 WeakPolarHBondContact O-CB 3.47Å; A123-L126 PolarHBondContact O-N 3.14Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 2.87Å; L126-W129 PolarHBondContact O-N 3.05Å; L126-K130 HydrophobicContact CD1-CD 4.4Å; L126-K130 HydrophobicContact CD1-CG 4.24Å; L126-K130 HydrophobicContact CG-CD 4.33Å; L126-K130 WeakPolarHBondContact O-CG 3.32Å; L126-K130 PolarHBondContact O-N 3.06Å; L126-N149 HydrophobicContact CD1-CB 4.08Å; L126-N149 HydrophobicContact CD2-CB 3.97Å; L126-V152 HydrophobicContact CD1-CB 4.49Å; L126-V152 HydrophobicContact CD1-CG1 4.46Å; L126-L153 HydrophobicContact CB-CD2 4Å; L126-L153 HydrophobicContact CD1-CD1 4.3Å; L126-L153 HydrophobicContact CD1-CD2 4.11Å; L126-L153 HydrophobicContact CD1-CG 3.89Å
127	E	96.8	Very high	96	Very high	130 Å²	130	53.1 Å²	53.1	61%	0.607	28%	0.28	S	S	*	.	H	α-helix	trans	-65.4	-36	-176	-65.7	-55.2	130	0	0	112.1	A125 K130 G131	A125-E127 PolarHBondContact O-N 2.83Å; E127-K130 IonicContact OE1-NZ 2.65Å; E127-K130 PolarHBondContact OE1-NZ 2.9Å; E127-G131 PolarHBondContact O-N 2.92Å; E127-G131 VanDerWaalsContact O-N 3.14Å
128	R	97.3	Very high	95.9	Very high	159 Å²	159	58.6 Å²	58.6	60%	0.6	31%	0.31	S	S	*	.	H	α-helix	trans	-64.4	-46.4	174.3	-167	-171.6	98	177	7.2	111	A125 L126 G131 E132	A125-R128 WeakPolarHBondContact O-CB 3.21Å; A125-R128 PolarHBondContact O-N 2.92Å; A125-R128 VanDerWaalsContact O-N 3.17Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 2.87Å; R128-G131 PolarHBondContact O-N 2.97Å; R128-E132 PolarHBondContact O-N 3.26Å
129	W	97.6	Very high	95.8	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-71.6	-29.3	-178.3	-70.4	-14.7	0	0	0	113.1	A125 L126 E132 L133 V152 L153 F156 L157 W160	A125-W129 HydrophobicContact CB-CD2 3.74Å; A125-W129 HydrophobicContact CB-CE3 3.98Å; A125-W129 HydrophobicContact CB-CG 4.37Å; A125-W129 HydrophobicContact CB-CH2 3.95Å; A125-W129 HydrophobicContact CB-CZ2 3.73Å; A125-W129 HydrophobicContact CB-CZ3 4.08Å; A125-W129 PolarHBondContact O-N 3.36Å; L126-W129 PolarHBondContact O-N 3.05Å; W129-E132 PolarHBondContact O-N 3Å; W129-L133 VanDerWaalsContact O-CB 3.28Å; W129-L133 WeakPolarHBondContact O-CB 3.49Å; W129-L133 PolarHBondContact O-N 2.89Å; W129-V152 HydrophobicContact CB-CG1 4.23Å; W129-L153 HydrophobicContact CE3-CD2 3.66Å; W129-L153 HydrophobicContact CZ3-CD2 3.7Å; W129-F156 HydrophobicContact CB-CD1 3.88Å; W129-F156 HydrophobicContact CB-CD2 3.76Å; W129-F156 HydrophobicContact CB-CE1 3.83Å; W129-F156 HydrophobicContact CB-CE2 3.71Å; W129-F156 HydrophobicContact CB-CG 3.85Å; W129-F156 HydrophobicContact CB-CZ 3.75Å; W129-F156 AromaticContact CD1-CD1 3.44Å; W129-F156 VanDerWaalsContact CD1-CD1 3.44Å; W129-F156 AromaticContact CD1-CE1 3.59Å; W129-F156 HydrophobicContact CD2-CB 3.55Å; W129-F156 AromaticContact CD2-CD1 3.64Å; W129-F156 HydrophobicContact CD2-CD1 3.64Å; W129-F156 HydrophobicContact CD2-CD2 4.28Å; W129-F156 HydrophobicContact CD2-CE1 4.41Å; W129-F156 AromaticContact CD2-CG 3.56Å; W129-F156 HydrophobicContact CD2-CG 3.56Å; W129-F156 AromaticContact CE2-CD1 3.88Å; W129-F156 HydrophobicContact CE3-CB 3.32Å; W129-F156 HydrophobicContact CE3-CD1 4.3Å; W129-F156 HydrophobicContact CE3-CD2 4.33Å; W129-F156 AromaticContact CE3-CG 3.75Å; W129-F156 HydrophobicContact CE3-CG 3.75Å; W129-F156 HydrophobicContact CG-CB 4.16Å; W129-F156 AromaticContact CG-CD1 3.4Å; W129-F156 HydrophobicContact CG-CD1 3.4Å; W129-F156 HydrophobicContact CG-CD2 4.07Å; W129-F156 AromaticContact CG-CE1 3.7Å; W129-F156 HydrophobicContact CG-CE1 3.7Å; W129-F156 HydrophobicContact CG-CE2 4.31Å; W129-F156 AromaticContact CG-CG 3.6Å; W129-F156 HydrophobicContact CG-CG 3.6Å; W129-F156 HydrophobicContact CG-CZ 4.15Å; W129-F156 HydrophobicContact CH2-CB 4.06Å; W129-F156 HydrophobicContact CZ2-CB 4.22Å; W129-F156 HydrophobicContact CZ3-CB 3.6Å; W129-F156 HydrophobicContact CZ3-CG 4.49Å; W129-F156 AromaticContact NE1-CD1 3.75Å; W129-F156 WeakPolarHBondContact O-CE2 3.24Å; W129-F156 WeakPolarHBondContact O-CZ 3.41Å; W129-L157 HydrophobicContact CH2-CD2 3.91Å; W129-L157 HydrophobicContact CH2-CG 4.02Å; W129-L157 HydrophobicContact CZ3-CD2 4.47Å; W129-L157 HydrophobicContact CZ3-CG 4.1Å; W129-W160 HydrophobicContact CZ2-CE3 4.13Å; W129-W160 HydrophobicContact CZ2-CZ3 4.11Å
130	K	97.8	Very high	95.8	Very high	22 Å²	22	58.9 Å²	58.9	10%	0.096	32%	0.32	C	S	.	.	H	α-helix	trans	-62.6	-44.3	166.8	-76.3	179.4	177.9	177.7	0	112.2	L126 E127 L133 W134 N149	L126-K130 HydrophobicContact CD1-CD 4.4Å; L126-K130 HydrophobicContact CD1-CG 4.24Å; L126-K130 HydrophobicContact CG-CD 4.33Å; L126-K130 WeakPolarHBondContact O-CG 3.32Å; L126-K130 PolarHBondContact O-N 3.06Å; E127-K130 IonicContact OE1-NZ 2.65Å; E127-K130 PolarHBondContact OE1-NZ 2.9Å; K130-L133 PolarHBondContact O-N 3.49Å; K130-W134 PolarHBondContact O-N 3.35Å; K130-N149 WeakPolarHBondContact CE-OD1 3.35Å; K130-N149 PolarHBondContact NZ-OD1 3.4Å
131	G	97.6	Very high	95.9	Very high	33 Å²	33	57.3 Å²	57.3	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-58.6	-48.8	174.3	0	0	0	0	0	111.6	E127 R128 L133 W134 D135	E127-G131 PolarHBondContact O-N 2.92Å; E127-G131 VanDerWaalsContact O-N 3.14Å; R128-G131 PolarHBondContact O-N 2.97Å; G131-L133 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 3.32Å; G131-W134 WeakPolarHBondContact O-CB 3.29Å; G131-W134 PolarHBondContact O-N 3.17Å; G131-D135 VanDerWaalsContact O-CG 3.31Å; G131-D135 PolarHBondContact O-N 3.32Å
132	E	97.1	Very high	96	Very high	55 Å²	55	57.4 Å²	57.4	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-63.2	-38.4	178	-170.1	179.8	153.1	0	0	112.6	R128 W129 W134 D135 T136 F156 R194	R128-E132 PolarHBondContact O-N 3.26Å; W129-E132 PolarHBondContact O-N 3Å; E132-W134 VanDerWaalsContact C-N 3.35Å; E132-D135 PolarHBondContact O-N 3.39Å; E132-T136 VanDerWaalsContact O-CB 3.24Å; E132-T136 WeakPolarHBondContact O-CB 3.35Å; E132-T136 PolarHBondContact O-N 2.9Å; E132-T136 PolarHBondContact O-OG1 3.11Å; E132-F156 HydrophobicContact CB-CE1 4.18Å; E132-F156 HydrophobicContact CB-CZ 4.02Å; E132-F156 HydrophobicContact CG-CE1 4.16Å; E132-F156 HydrophobicContact CG-CZ 4.25Å; E132-R194 IonicContact OE1-CZ 3.88Å; E132-R194 IonicContact OE1-NE 3.45Å; E132-R194 IonicContact OE1-NH2 2.77Å; E132-R194 PolarHBondContact OE1-NH2 3.47Å; E132-R194 IonicContact OE2-NH2 2.76Å
133	L	97.1	Very high	95.9	Very high	1 Å²	1	67.4 Å²	67.4	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-40.2	175.4	-179.1	62.9	0	0	0	111.9	W129 K130 G131 C137 I139 V141 V152 F156 I186	W129-L133 VanDerWaalsContact O-CB 3.28Å; W129-L133 WeakPolarHBondContact O-CB 3.49Å; W129-L133 PolarHBondContact O-N 2.89Å; K130-L133 PolarHBondContact O-N 3.49Å; G131-L133 VanDerWaalsContact C-N 3.34Å; G131-L133 PolarHBondContact O-N 3.32Å; L133-C137 HydrophobicContact CD1-CB 4.13Å; L133-C137 WeakPolarHBondContact O-CB 3.3Å; L133-C137 PolarHBondContact O-N 3.39Å; L133-I139 HydrophobicContact CD2-CB 4.37Å; L133-I139 HydrophobicContact CD2-CG2 4.41Å; L133-I139 HydrophobicContact CG-CB 4.23Å; L133-V141 HydrophobicContact CD2-CG2 4.2Å; L133-V152 HydrophobicContact CD2-CG2 3.75Å; L133-F156 HydrophobicContact CB-CE2 4.16Å; L133-F156 HydrophobicContact CB-CZ 4.37Å; L133-I186 HydrophobicContact CD1-CD1 4.03Å; L133-I186 HydrophobicContact CD1-CG2 4.36Å; L133-I186 HydrophobicContact CD2-CD1 4.11Å
134	W	97.3	Very high	95.9	Very high	132 Å²	132	70.9 Å²	70.9	50%	0.5	34%	0.339	S	S	.	.	H	α-helix	trans	-62.7	-50	173.7	175.9	-97.7	0	0	0	111	K130 G131 E132 T136 N138	K130-W134 PolarHBondContact O-N 3.35Å; G131-W134 WeakPolarHBondContact O-CB 3.29Å; G131-W134 PolarHBondContact O-N 3.17Å; E132-W134 VanDerWaalsContact C-N 3.35Å; W134-T136 PolarHBondContact O-N 3.21Å; W134-N138 WeakPolarHBondContact CZ3-O 3.24Å; W134-N138 WeakPolarHBondContact O-CA 3.47Å; W134-N138 PolarHBondContact O-N 3Å; W134-N138 PolarHBondContact O-OD1 3.09Å
135	D	96.5	Very high	95.9	Very high	128 Å²	128	64.3 Å²	64.3	68%	0.684	32%	0.315	S	S	*	.	H	α-helix	trans	-62.9	-31.5	-179.1	-65.9	-21.5	0	0	0	112.4	G131 E132	G131-D135 VanDerWaalsContact O-CG 3.31Å; G131-D135 PolarHBondContact O-N 3.32Å; E132-D135 PolarHBondContact O-N 3.39Å
136	T	93.8	Very high	96	Very high	63 Å²	63	73.3 Å²	73.3	39%	0.387	35%	0.349	S	S	.	.	H	α-helix	trans	-87.3	-43.1	-176.8	-54.4	0	0	0	0	113	E132 W134 A193	E132-T136 VanDerWaalsContact O-CB 3.24Å; E132-T136 WeakPolarHBondContact O-CB 3.35Å; E132-T136 PolarHBondContact O-N 2.9Å; E132-T136 PolarHBondContact O-OG1 3.11Å; W134-T136 PolarHBondContact O-N 3.21Å; T136-A193 HydrophobicContact CG2-CB 3.34Å
137	C	93.1	Very high	95.9	Very high	38 Å²	38	75.7 Å²	75.7	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-124.1	-4.8	-168.2	-59.5	0	0	0	0	113.9	L133 I139	L133-C137 HydrophobicContact CD1-CB 4.13Å; L133-C137 WeakPolarHBondContact O-CB 3.3Å; L133-C137 PolarHBondContact O-N 3.39Å; C137-I139 HydrophobicContact CB-CD1 3.94Å; C137-I139 HydrophobicContact CB-CG1 3.92Å; C137-I139 PolarHBondContact O-N 3.26Å
138	N	95.3	Very high	95.9	Very high	116 Å²	116	69.5 Å²	69.5	62%	0.62	33%	0.33	S	S	*	.			trans	55	34.9	-171.4	-61.9	-57	0	0	0	113.6	W134	W134-N138 WeakPolarHBondContact CZ3-O 3.24Å; W134-N138 WeakPolarHBondContact O-CA 3.47Å; W134-N138 PolarHBondContact O-N 3Å; W134-N138 PolarHBondContact O-OD1 3.09Å
139	I	96.6	Very high	96	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.041	31%	0.305	C	S	.	.			trans	-105.5	109.2	177.6	-57.1	176.8	0	0	0	109	L133 C137 C243 M244 A247	L133-I139 HydrophobicContact CD2-CB 4.37Å; L133-I139 HydrophobicContact CD2-CG2 4.41Å; L133-I139 HydrophobicContact CG-CB 4.23Å; C137-I139 HydrophobicContact CB-CD1 3.94Å; C137-I139 HydrophobicContact CB-CG1 3.92Å; C137-I139 PolarHBondContact O-N 3.26Å; I139-C243 HydrophobicContact CD1-CB 4.43Å; I139-C243 HydrophobicContact CG1-CB 4.22Å; I139-C243 HydrophobicContact CG2-CB 4.24Å; I139-M244 HydrophobicContact CG2-CG 3.89Å; I139-A247 HydrophobicContact CD1-CB 3.74Å
140	G	95.6	Very high	96	Very high	40 Å²	40	64 Å²	64	41%	0.412	31%	0.313	S	S	.	.			trans	-87.3	136.4	174.2	0	0	0	0	0	111.2	H240	G140-H240 WeakPolarHBondContact O-CB 3.31Å
141	V	96.5	Very high	96	Very high	18 Å²	18	63 Å²	63	11%	0.109	31%	0.309	C	S	.	.			trans	-118.8	120.7	179.2	-179.7	0	0	0	0	110.4	L133 A148 N149 V152 M244	L133-V141 HydrophobicContact CD2-CG2 4.2Å; V141-A148 HydrophobicContact CG1-CB 3.63Å; V141-N149 WeakPolarHBondContact CG1-OD1 3.41Å; V141-V152 HydrophobicContact CG2-CG2 3.84Å; V141-M244 HydrophobicContact CG2-SD 4.5Å
142	P	95.4	Very high	96	Very high	28 Å²	28	61.4 Å²	61.4	18%	0.182	29%	0.293	C	S	.	.			trans	-68.3	149.2	-177.9	27	-32.7	0	0	0	112.3	Y144 D145 N149 H240	P142-Y144 VanDerWaalsContact C-N 3.33Å; P142-Y144 HydrophobicContact CB-CD1 4Å; P142-Y144 HydrophobicContact CB-CE1 3.51Å; P142-Y144 HydrophobicContact CB-CE2 4.24Å; P142-Y144 HydrophobicContact CG-CE1 4.27Å; P142-Y144 HydrophobicContact CG-CE2 4.14Å; P142-Y144 PolarHBondContact O-N 3.37Å; P142-D145 HydrophobicContact CG-CB 3.9Å; P142-D145 PolarHBondContact O-N 2.84Å; P142-N149 PolarHBondContact O-OD1 3.3Å; P142-H240 VanDerWaalsContact CD-CD2 3.49Å; P142-H240 WeakPolarHBondContact CD-CD2 3.27Å
143	W	92.2	Very high	96.1	Very high	210 Å²	210	59 Å²	59	80%	0.795	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.3	-176.7	65.8	-92.9	0	0	0	113.6	N149	W143-N149 PolarHBondContact O-ND2 3.06Å
144	Y	93.5	Very high	96.2	Very high	127 Å²	127	59 Å²	59	50%	0.498	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-18	-175.4	59.1	-101.2	0	0	0	113.6	P142 R146	P142-Y144 VanDerWaalsContact C-N 3.33Å; P142-Y144 HydrophobicContact CB-CD1 4Å; P142-Y144 HydrophobicContact CB-CE1 3.51Å; P142-Y144 HydrophobicContact CB-CE2 4.24Å; P142-Y144 HydrophobicContact CG-CE1 4.27Å; P142-Y144 HydrophobicContact CG-CE2 4.14Å; P142-Y144 PolarHBondContact O-N 3.37Å; Y144-R146 PolarHBondContact O-N 3.24Å; Y144-R146 VanDerWaalsContact O-N 3.12Å
145	D	96.2	Very high	96.2	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.07	26%	0.257	C	S	.	.			trans	-85.7	88.6	-178.1	-169.3	-20.5	0	0	0	110.6	P142 E147 A148 N149 H240 R241	P142-D145 HydrophobicContact CG-CB 3.9Å; P142-D145 PolarHBondContact O-N 2.84Å; D145-E147 VanDerWaalsContact C-N 3.29Å; D145-E147 PolarHBondContact O-N 3.21Å; D145-E147 PolarHBondContact OD1-N 3.15Å; D145-E147 VanDerWaalsContact OD1-N 3.17Å; D145-A148 HydrophobicContact CB-CB 4.05Å; D145-A148 PolarHBondContact O-N 2.69Å; D145-A148 PolarHBondContact OD1-N 3.19Å; D145-N149 WeakPolarHBondContact O-CB 3.47Å; D145-N149 PolarHBondContact O-N 2.91Å; D145-N149 PolarHBondContact O-ND2 3.43Å; D145-H240 IonicContact OD2-CD2 3.62Å; D145-H240 IonicContact OD2-CE1 2.84Å; D145-H240 IonicContact OD2-NE2 3.68Å; D145-H240 PolarHBondContact OD2-NE2 3.31Å; D145-R241 VanDerWaalsContact CG-NH2 3.26Å; D145-R241 IonicContact OD1-CZ 3.69Å; D145-R241 IonicContact OD1-NE 3.36Å; D145-R241 IonicContact OD1-NH2 3.83Å; D145-R241 PolarHBondContact OD1-NH2 3.18Å; D145-R241 IonicContact OD2-CZ 3.69Å; D145-R241 VanDerWaalsContact OD2-CZ 3.28Å; D145-R241 IonicContact OD2-NE 3.05Å; D145-R241 PolarHBondContact OD2-NE 3Å; D145-R241 IonicContact OD2-NH2 2.67Å; D145-R241 PolarHBondContact OD2-NH2 2.88Å
146	R	95.7	Very high	96.3	Very high	189 Å²	189	46.7 Å²	46.7	71%	0.713	23%	0.225	S	C	*	.	H	α-helix	trans	-57.6	-40.5	179.6	-168.9	-178.1	70.8	150.5	3.3	112.8	Y144 N149 D150	Y144-R146 PolarHBondContact O-N 3.24Å; Y144-R146 VanDerWaalsContact O-N 3.12Å; R146-N149 WeakPolarHBondContact O-CB 3.43Å; R146-N149 PolarHBondContact O-N 2.8Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 3.35Å
147	E	96	Very high	96.5	Very high	76 Å²	76	43.8 Å²	43.8	36%	0.355	21%	0.207	S	C	.	.	H	α-helix	trans	-67.5	-42.4	-176.9	-176.6	-179.3	-165.1	0	0	111.2	D145 D150 A151 W182 L183 R241	D145-E147 VanDerWaalsContact C-N 3.29Å; D145-E147 PolarHBondContact O-N 3.21Å; D145-E147 PolarHBondContact OD1-N 3.15Å; D145-E147 VanDerWaalsContact OD1-N 3.17Å; E147-D150 PolarHBondContact O-N 2.77Å; E147-A151 WeakPolarHBondContact O-CB 3.03Å; E147-A151 PolarHBondContact O-N 3.46Å; E147-W182 HydrophobicContact CG-CH2 3.98Å; E147-W182 HydrophobicContact CG-CZ2 4.26Å; E147-L183 HydrophobicContact CG-CD2 3.61Å; E147-R241 IonicContact OE2-CZ 3.11Å; E147-R241 IonicContact OE2-NH1 2.74Å; E147-R241 PolarHBondContact OE2-NH1 3.19Å; E147-R241 IonicContact OE2-NH2 3.5Å; E147-R241 PolarHBondContact OE2-NH2 3.21Å
148	A	97.2	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-38.1	173.5	0	0	0	0	0	111.9	V141 D145 A151 V152 M244	V141-A148 HydrophobicContact CG1-CB 3.63Å; D145-A148 HydrophobicContact CB-CB 4.05Å; D145-A148 PolarHBondContact O-N 2.69Å; D145-A148 PolarHBondContact OD1-N 3.19Å; A148-A151 PolarHBondContact O-N 2.99Å; A148-V152 WeakPolarHBondContact O-CG2 3.29Å; A148-V152 PolarHBondContact O-N 2.8Å; A148-M244 HydrophobicContact CB-SD 4.34Å
149	N	97.9	Very high	96.9	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-45.5	174.4	-67.8	-33.4	0	0	0	111.9	L126 K130 V141 P142 W143 D145 R146 A151 V152 L153	L126-N149 HydrophobicContact CD1-CB 4.08Å; L126-N149 HydrophobicContact CD2-CB 3.97Å; K130-N149 WeakPolarHBondContact CE-OD1 3.35Å; K130-N149 PolarHBondContact NZ-OD1 3.4Å; V141-N149 WeakPolarHBondContact CG1-OD1 3.41Å; P142-N149 PolarHBondContact O-OD1 3.3Å; W143-N149 PolarHBondContact O-ND2 3.06Å; D145-N149 WeakPolarHBondContact O-CB 3.47Å; D145-N149 PolarHBondContact O-N 2.91Å; D145-N149 PolarHBondContact O-ND2 3.43Å; R146-N149 WeakPolarHBondContact O-CB 3.43Å; R146-N149 PolarHBondContact O-N 2.8Å; N149-A151 VanDerWaalsContact C-N 3.33Å; N149-A151 PolarHBondContact O-N 3.4Å; N149-V152 WeakPolarHBondContact O-CB 3.19Å; N149-V152 PolarHBondContact O-N 3.42Å; N149-L153 PolarHBondContact O-N 3.44Å
150	D	97.8	Very high	97	Very high	35 Å²	35	38.9 Å²	38.9	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-39.5	178.6	-71.4	-15.6	0	0	0	111.1	W34 R146 E147 V152 L153 F154	W34-D150 HydrophobicContact CH2-CB 3.65Å; W34-D150 HydrophobicContact CZ2-CB 4.33Å; W34-D150 HydrophobicContact CZ3-CB 4.24Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 3.35Å; E147-D150 PolarHBondContact O-N 2.77Å; D150-V152 VanDerWaalsContact C-N 3.34Å; D150-V152 PolarHBondContact O-N 3.07Å; D150-L153 PolarHBondContact O-N 3.47Å; D150-F154 VanDerWaalsContact O-CB 3.28Å; D150-F154 WeakPolarHBondContact O-CB 3.3Å; D150-F154 PolarHBondContact O-N 3.39Å
151	A	97.9	Very high	97.1	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64	-35.2	173.9	0	0	0	0	0	113	E147 A148 N149 G155 W182 L183 M244	E147-A151 WeakPolarHBondContact O-CB 3.03Å; E147-A151 PolarHBondContact O-N 3.46Å; A148-A151 PolarHBondContact O-N 2.99Å; N149-A151 VanDerWaalsContact C-N 3.33Å; N149-A151 PolarHBondContact O-N 3.4Å; A151-G155 PolarHBondContact O-N 2.84Å; A151-W182 HydrophobicContact CB-CZ3 4.36Å; A151-L183 HydrophobicContact CB-CD2 4.08Å; A151-L183 WeakPolarHBondContact CB-O 3.41Å; A151-M244 HydrophobicContact CB-CE 3.73Å
152	V	98.3	Very high	97.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.3	-53.1	171.2	173.3	0	0	0	0	110.1	L126 W129 L133 V141 A148 N149 D150 F154 G155 F156 M244	L126-V152 HydrophobicContact CD1-CB 4.49Å; L126-V152 HydrophobicContact CD1-CG1 4.46Å; W129-V152 HydrophobicContact CB-CG1 4.23Å; L133-V152 HydrophobicContact CD2-CG2 3.75Å; V141-V152 HydrophobicContact CG2-CG2 3.84Å; A148-V152 WeakPolarHBondContact O-CG2 3.29Å; A148-V152 PolarHBondContact O-N 2.8Å; N149-V152 WeakPolarHBondContact O-CB 3.19Å; N149-V152 PolarHBondContact O-N 3.42Å; D150-V152 VanDerWaalsContact C-N 3.34Å; D150-V152 PolarHBondContact O-N 3.07Å; V152-F154 VanDerWaalsContact C-N 3.29Å; V152-F154 PolarHBondContact O-N 3.2Å; V152-G155 PolarHBondContact O-N 2.84Å; V152-F156 HydrophobicContact CG1-CD2 3.82Å; V152-F156 HydrophobicContact CG1-CE2 3.89Å; V152-F156 VanDerWaalsContact O-CD2 3.29Å; V152-F156 WeakPolarHBondContact O-CD2 3.48Å; V152-F156 PolarHBondContact O-N 3.35Å; V152-M244 HydrophobicContact CG2-CE 4.43Å
153	L	98.3	Very high	97.3	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-55.5	-47.4	178.9	-69.3	168	0	0	0	111.3	V119 S122 L126 W129 N149 D150 F156 L157	V119-L153 HydrophobicContact CB-CB 4.12Å; V119-L153 HydrophobicContact CB-CD1 4.5Å; V119-L153 HydrophobicContact CG1-CB 4.29Å; S122-L153 WeakPolarHBondContact O-CD2 3.37Å; L126-L153 HydrophobicContact CB-CD2 4Å; L126-L153 HydrophobicContact CD1-CD1 4.3Å; L126-L153 HydrophobicContact CD1-CD2 4.11Å; L126-L153 HydrophobicContact CD1-CG 3.89Å; W129-L153 HydrophobicContact CE3-CD2 3.66Å; W129-L153 HydrophobicContact CZ3-CD2 3.7Å; N149-L153 PolarHBondContact O-N 3.44Å; D150-L153 PolarHBondContact O-N 3.47Å; L153-F156 PolarHBondContact O-N 3.2Å; L153-L157 WeakPolarHBondContact O-CB 3.3Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 3.18Å
154	F	98.5	Very high	97.5	Very high	1 Å²	1	27 Å²	27	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-61.2	-48.9	179.2	-174.6	-121.5	0	0	0	112	V32 W34 G66 P67 L117 V119 D150 V152 F156 L157 T158 A184	V32-F154 HydrophobicContact CG1-CE1 3.84Å; V32-F154 HydrophobicContact CG1-CZ 3.78Å; W34-F154 HydrophobicContact CE3-CB 4.34Å; W34-F154 AromaticContact CE3-CD1 3.99Å; W34-F154 HydrophobicContact CE3-CD1 3.99Å; W34-F154 HydrophobicContact CE3-CG 4.11Å; W34-F154 HydrophobicContact CZ3-CB 3.86Å; W34-F154 HydrophobicContact CZ3-CD1 4.35Å; W34-F154 HydrophobicContact CZ3-CG 4.02Å; G66-F154 VanDerWaalsContact C-CE2 3.43Å; P67-F154 HydrophobicContact CB-CD2 4.5Å; L117-F154 HydrophobicContact CB-CD2 4.39Å; L117-F154 HydrophobicContact CB-CE2 4.41Å; L117-F154 HydrophobicContact CD1-CD2 4.14Å; L117-F154 HydrophobicContact CD1-CE2 3.9Å; V119-F154 HydrophobicContact CG1-CB 3.89Å; V119-F154 HydrophobicContact CG1-CD2 4.29Å; D150-F154 VanDerWaalsContact O-CB 3.28Å; D150-F154 WeakPolarHBondContact O-CB 3.3Å; D150-F154 PolarHBondContact O-N 3.39Å; V152-F154 VanDerWaalsContact C-N 3.29Å; V152-F154 PolarHBondContact O-N 3.2Å; F154-F156 VanDerWaalsContact C-N 3.35Å; F154-F156 PolarHBondContact O-N 3.46Å; F154-L157 PolarHBondContact O-N 3.5Å; F154-T158 WeakPolarHBondContact O-CB 3.28Å; F154-T158 PolarHBondContact O-N 3.33Å; F154-T158 PolarHBondContact O-OG1 3.07Å; F154-A184 HydrophobicContact CE1-CB 4Å
155	G	98.2	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.3	-41.1	178.4	0	0	0	0	0	113.6	A151 V152 T159 G187	A151-G155 PolarHBondContact O-N 2.84Å; V152-G155 PolarHBondContact O-N 2.84Å; G155-T159 WeakPolarHBondContact O-CB 3.43Å; G155-T159 PolarHBondContact O-N 3.36Å; G155-T159 PolarHBondContact O-OG1 3.42Å; G155-G187 VanDerWaalsContact CA-N 3.35Å; G155-G187 VanDerWaalsContact O-CA 3.29Å; G155-G187 WeakPolarHBondContact O-CA 3.5Å
156	F	98.4	Very high	97.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-43.4	175.3	-88.5	-96.8	0	0	0	112.3	W129 E132 L133 V152 L153 F154 T159 W160 I186 L190	W129-F156 HydrophobicContact CB-CD1 3.88Å; W129-F156 HydrophobicContact CB-CD2 3.76Å; W129-F156 HydrophobicContact CB-CE1 3.83Å; W129-F156 HydrophobicContact CB-CE2 3.71Å; W129-F156 HydrophobicContact CB-CG 3.85Å; W129-F156 HydrophobicContact CB-CZ 3.75Å; W129-F156 AromaticContact CD1-CD1 3.44Å; W129-F156 VanDerWaalsContact CD1-CD1 3.44Å; W129-F156 AromaticContact CD1-CE1 3.59Å; W129-F156 HydrophobicContact CD2-CB 3.55Å; W129-F156 AromaticContact CD2-CD1 3.64Å; W129-F156 HydrophobicContact CD2-CD1 3.64Å; W129-F156 HydrophobicContact CD2-CD2 4.28Å; W129-F156 HydrophobicContact CD2-CE1 4.41Å; W129-F156 AromaticContact CD2-CG 3.56Å; W129-F156 HydrophobicContact CD2-CG 3.56Å; W129-F156 AromaticContact CE2-CD1 3.88Å; W129-F156 HydrophobicContact CE3-CB 3.32Å; W129-F156 HydrophobicContact CE3-CD1 4.3Å; W129-F156 HydrophobicContact CE3-CD2 4.33Å; W129-F156 AromaticContact CE3-CG 3.75Å; W129-F156 HydrophobicContact CE3-CG 3.75Å; W129-F156 HydrophobicContact CG-CB 4.16Å; W129-F156 AromaticContact CG-CD1 3.4Å; W129-F156 HydrophobicContact CG-CD1 3.4Å; W129-F156 HydrophobicContact CG-CD2 4.07Å; W129-F156 AromaticContact CG-CE1 3.7Å; W129-F156 HydrophobicContact CG-CE1 3.7Å; W129-F156 HydrophobicContact CG-CE2 4.31Å; W129-F156 AromaticContact CG-CG 3.6Å; W129-F156 HydrophobicContact CG-CG 3.6Å; W129-F156 HydrophobicContact CG-CZ 4.15Å; W129-F156 HydrophobicContact CH2-CB 4.06Å; W129-F156 HydrophobicContact CZ2-CB 4.22Å; W129-F156 HydrophobicContact CZ3-CB 3.6Å; W129-F156 HydrophobicContact CZ3-CG 4.49Å; W129-F156 AromaticContact NE1-CD1 3.75Å; W129-F156 WeakPolarHBondContact O-CE2 3.24Å; W129-F156 WeakPolarHBondContact O-CZ 3.41Å; E132-F156 HydrophobicContact CB-CE1 4.18Å; E132-F156 HydrophobicContact CB-CZ 4.02Å; E132-F156 HydrophobicContact CG-CE1 4.16Å; E132-F156 HydrophobicContact CG-CZ 4.25Å; L133-F156 HydrophobicContact CB-CE2 4.16Å; L133-F156 HydrophobicContact CB-CZ 4.37Å; V152-F156 HydrophobicContact CG1-CD2 3.82Å; V152-F156 HydrophobicContact CG1-CE2 3.89Å; V152-F156 VanDerWaalsContact O-CD2 3.29Å; V152-F156 WeakPolarHBondContact O-CD2 3.48Å; V152-F156 PolarHBondContact O-N 3.35Å; L153-F156 PolarHBondContact O-N 3.2Å; F154-F156 VanDerWaalsContact C-N 3.35Å; F154-F156 PolarHBondContact O-N 3.46Å; F156-T159 PolarHBondContact O-N 2.99Å; F156-W160 WeakPolarHBondContact O-CB 3.48Å; F156-W160 PolarHBondContact O-N 3.43Å; F156-I186 HydrophobicContact CD2-CG2 4.34Å; F156-I186 HydrophobicContact CE2-CG2 4.46Å; F156-L190 HydrophobicContact CB-CD1 4.41Å; F156-L190 HydrophobicContact CD1-CD1 3.93Å; F156-L190 HydrophobicContact CD2-CD1 3.49Å; F156-L190 VanDerWaalsContact CD2-CD1 3.49Å; F156-L190 HydrophobicContact CE1-CD1 4.01Å; F156-L190 HydrophobicContact CE1-CD2 4.41Å; F156-L190 HydrophobicContact CE2-CD1 3.58Å; F156-L190 HydrophobicContact CE2-CD2 4.35Å; F156-L190 HydrophobicContact CG-CD1 3.69Å; F156-L190 HydrophobicContact CZ-CD1 3.84Å; F156-L190 HydrophobicContact CZ-CD2 4.02Å
157	L	98.5	Very high	97.6	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-43.1	176.6	-73.6	170.3	0	0	0	112	M94 C99 L117 V119 W129 L153 F154 W160 F161	M94-L157 HydrophobicContact CE-CD2 4.36Å; C99-L157 HydrophobicContact CB-CD2 4.24Å; L117-L157 HydrophobicContact CB-CB 4.38Å; L117-L157 HydrophobicContact CB-CD1 4.31Å; L117-L157 HydrophobicContact CD1-CB 3.92Å; V119-L157 HydrophobicContact CG1-CD1 4.36Å; W129-L157 HydrophobicContact CH2-CD2 3.91Å; W129-L157 HydrophobicContact CH2-CG 4.02Å; W129-L157 HydrophobicContact CZ3-CD2 4.47Å; W129-L157 HydrophobicContact CZ3-CG 4.1Å; L153-L157 WeakPolarHBondContact O-CB 3.3Å; L153-L157 VanDerWaalsContact O-CG 3.27Å; L153-L157 WeakPolarHBondContact O-CG 3.47Å; L153-L157 PolarHBondContact O-N 3.18Å; F154-L157 PolarHBondContact O-N 3.5Å; L157-W160 PolarHBondContact O-N 2.94Å; L157-F161 WeakPolarHBondContact O-CB 3.47Å; L157-F161 PolarHBondContact O-N 2.97Å
158	T	98.3	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.6	-44.2	175.7	-56.7	0	0	0	0	111.1	V32 L117 F154 W160 F161 L162 F179	V32-T158 HydrophobicContact CG1-CG2 3.87Å; V32-T158 HydrophobicContact CG2-CG2 4Å; L117-T158 WeakPolarHBondContact CD1-OG1 3.35Å; F154-T158 WeakPolarHBondContact O-CB 3.28Å; F154-T158 PolarHBondContact O-N 3.33Å; F154-T158 PolarHBondContact O-OG1 3.07Å; T158-W160 VanDerWaalsContact C-N 3.32Å; T158-W160 PolarHBondContact O-N 3.47Å; T158-F161 PolarHBondContact O-N 3.21Å; T158-L162 HydrophobicContact CG2-CD1 4.09Å; T158-L162 HydrophobicContact CG2-CG 4.42Å; T158-L162 WeakPolarHBondContact O-CG 3.29Å; T158-L162 PolarHBondContact O-N 3.31Å; T158-F179 HydrophobicContact CG2-CE1 3.88Å; T158-F179 HydrophobicContact CG2-CZ 4.29Å
159	T	98.3	Very high	97.2	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-64.2	-40.4	178	-53.7	0	0	0	0	111.6	G155 F156 G163 G187 L190 L196	G155-T159 WeakPolarHBondContact O-CB 3.43Å; G155-T159 PolarHBondContact O-N 3.36Å; G155-T159 PolarHBondContact O-OG1 3.42Å; F156-T159 PolarHBondContact O-N 2.99Å; T159-G163 PolarHBondContact O-N 2.71Å; T159-G187 WeakPolarHBondContact OG1-CA 3.21Å; T159-G187 PolarHBondContact OG1-O 3.22Å; T159-G187 VanDerWaalsContact OG1-O 3.09Å; T159-L190 HydrophobicContact CG2-CB 3.78Å; T159-L190 WeakPolarHBondContact OG1-CB 3.41Å; T159-L196 HydrophobicContact CG2-CD1 3.87Å
160	W	98.1	Very high	96.6	Very high	58 Å²	58	24.8 Å²	24.8	22%	0.22	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-50.4	174.9	-168.4	-13.7	0	0	0	110.1	M94 K97 W129 F156 L157 T158 L162 G163 E164	M94-W160 HydrophobicContact CE-CB 4.11Å; M94-W160 HydrophobicContact CE-CD2 4.43Å; M94-W160 HydrophobicContact CE-CG 4.09Å; K97-W160 HydrophobicContact CB-CH2 4.04Å; K97-W160 HydrophobicContact CB-CZ2 4.05Å; K97-W160 HydrophobicContact CD-CH2 4.29Å; K97-W160 HydrophobicContact CD-CZ2 3.51Å; K97-W160 HydrophobicContact CG-CZ2 4.41Å; W129-W160 HydrophobicContact CZ2-CE3 4.13Å; W129-W160 HydrophobicContact CZ2-CZ3 4.11Å; F156-W160 WeakPolarHBondContact O-CB 3.48Å; F156-W160 PolarHBondContact O-N 3.43Å; L157-W160 PolarHBondContact O-N 2.94Å; T158-W160 VanDerWaalsContact C-N 3.32Å; T158-W160 PolarHBondContact O-N 3.47Å; W160-L162 PolarHBondContact O-N 3.5Å; W160-G163 PolarHBondContact O-N 2.94Å; W160-E164 WeakPolarHBondContact O-CB 3.46Å; W160-E164 PolarHBondContact O-N 3.33Å
161	F	98.4	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-54	-50.2	177.3	169.5	-103.4	0	0	0	112.4	F30 V65 L87 T90 L91 M94 V115 L157 T158 G163 E164 F165	F30-F161 AromaticContact CD1-CE1 3.73Å; F30-F161 HydrophobicContact CD1-CE1 3.73Å; F30-F161 HydrophobicContact CD1-CZ 4.32Å; F30-F161 AromaticContact CE1-CE1 3.48Å; F30-F161 HydrophobicContact CE1-CE1 3.48Å; F30-F161 VanDerWaalsContact CE1-CE1 3.48Å; F30-F161 AromaticContact CE1-CZ 3.64Å; F30-F161 HydrophobicContact CE1-CZ 3.64Å; F30-F161 HydrophobicContact CG-CE1 4.46Å; F30-F161 AromaticContact CZ-CE1 4Å; F30-F161 HydrophobicContact CZ-CE1 4Å; F30-F161 HydrophobicContact CZ-CZ 4.09Å; V65-F161 HydrophobicContact CG2-CE1 4.28Å; L87-F161 HydrophobicContact CD1-CE2 3.69Å; L87-F161 HydrophobicContact CD1-CZ 3.75Å; T90-F161 HydrophobicContact CG2-CD2 3.8Å; T90-F161 HydrophobicContact CG2-CE2 3.86Å; L91-F161 HydrophobicContact CD1-CD2 4.18Å; L91-F161 HydrophobicContact CD1-CE2 3.67Å; M94-F161 HydrophobicContact CE-CB 4.05Å; M94-F161 VanDerWaalsContact SD-CA 3.52Å; M94-F161 HydrophobicContact SD-CB 3.72Å; M94-F161 HydrophobicContact SD-CD2 4.02Å; M94-F161 HydrophobicContact SD-CG 4.39Å; V115-F161 HydrophobicContact CB-CZ 4.46Å; V115-F161 HydrophobicContact CG1-CD2 4.29Å; V115-F161 HydrophobicContact CG1-CE2 4.03Å; V115-F161 HydrophobicContact CG1-CZ 4.18Å; V115-F161 HydrophobicContact CG2-CE2 4.34Å; V115-F161 HydrophobicContact CG2-CZ 3.92Å; L157-F161 WeakPolarHBondContact O-CB 3.47Å; L157-F161 PolarHBondContact O-N 2.97Å; T158-F161 PolarHBondContact O-N 3.21Å; F161-G163 PolarHBondContact O-N 3.11Å; F161-E164 PolarHBondContact O-N 3.02Å; F161-F165 VanDerWaalsContact O-CB 3.28Å; F161-F165 WeakPolarHBondContact O-CB 3.46Å; F161-F165 PolarHBondContact O-N 3.44Å
162	L	98.1	Very high	95.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-62.9	-42.5	178.9	-67.9	173	0	0	0	112.2	F30 T158 W160 L166 V175 A177 F179	F30-L162 HydrophobicContact CB-CD2 4.05Å; F30-L162 HydrophobicContact CD2-CD2 3.46Å; F30-L162 VanDerWaalsContact CD2-CD2 3.46Å; F30-L162 HydrophobicContact CE2-CD2 4.01Å; F30-L162 HydrophobicContact CG-CD2 3.75Å; T158-L162 HydrophobicContact CG2-CD1 4.09Å; T158-L162 HydrophobicContact CG2-CG 4.42Å; T158-L162 WeakPolarHBondContact O-CG 3.29Å; T158-L162 PolarHBondContact O-N 3.31Å; W160-L162 PolarHBondContact O-N 3.5Å; L162-L166 WeakPolarHBondContact O-CG 3.37Å; L162-L166 PolarHBondContact O-N 2.86Å; L162-V175 HydrophobicContact CD2-CG1 4.34Å; L162-A177 HydrophobicContact CD1-CB 3.85Å; L162-F179 HydrophobicContact CD1-CZ 4.11Å
163	G	97.2	Very high	94.8	Very high	21 Å²	21	39.5 Å²	39.5	22%	0.216	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-39.8	177.9	0	0	0	0	0	113.2	T159 W160 F161 A167	T159-G163 PolarHBondContact O-N 2.71Å; W160-G163 PolarHBondContact O-N 2.94Å; F161-G163 PolarHBondContact O-N 3.11Å; G163-A167 WeakPolarHBondContact O-CB 3.4Å; G163-A167 PolarHBondContact O-N 2.93Å
164	E	97	Very high	94.6	Very high	25 Å²	25	41.3 Å²	41.3	12%	0.117	21%	0.208	C	C	.	.	H	α-helix	trans	-69.4	-42.2	176.2	-171	79	-145.5	0	0	110.3	T90 S93 M94 K97 W160 F161 L166 A167 Q168	T90-E164 HydrophobicContact CG2-CB 3.96Å; T90-E164 HydrophobicContact CG2-CG 3.91Å; S93-E164 VanDerWaalsContact CB-OE1 3.29Å; S93-E164 WeakPolarHBondContact CB-OE1 3.42Å; S93-E164 PolarHBondContact OG-OE1 3.19Å; S93-E164 PolarHBondContact OG-OE2 3.31Å; M94-E164 HydrophobicContact CG-CG 4.45Å; K97-E164 IonicContact NZ-OE1 2.93Å; K97-E164 IonicContact NZ-OE2 3.72Å; K97-E164 PolarHBondContact NZ-OE2 3.39Å; W160-E164 WeakPolarHBondContact O-CB 3.46Å; W160-E164 PolarHBondContact O-N 3.33Å; F161-E164 PolarHBondContact O-N 3.02Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 3.33Å; E164-A167 PolarHBondContact O-N 3.48Å; E164-Q168 HydrophobicContact CG-CG 4.4Å; E164-Q168 VanDerWaalsContact O-CG 3.26Å; E164-Q168 WeakPolarHBondContact O-CG 3.11Å; E164-Q168 PolarHBondContact O-N 2.78Å; E164-Q168 PolarHBondContact OE1-NE2 3.17Å
165	F	96.6	Very high	94.6	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-55.2	-49.2	173.7	-179.4	-99.7	0	0	0	111.3	V28 F30 L87 T90 F161 A167 Q168 N169 P173 V175	V28-F165 HydrophobicContact CG1-CE1 4.37Å; V28-F165 HydrophobicContact CG1-CZ 4.36Å; V28-F165 HydrophobicContact CG2-CE1 4.47Å; V28-F165 HydrophobicContact CG2-CZ 4.44Å; F30-F165 AromaticContact CE2-CD1 3.85Å; F30-F165 HydrophobicContact CE2-CD1 3.85Å; F30-F165 AromaticContact CE2-CE1 3.84Å; F30-F165 HydrophobicContact CE2-CE1 3.84Å; F30-F165 HydrophobicContact CE2-CG 4.4Å; F30-F165 HydrophobicContact CE2-CZ 4.39Å; F30-F165 AromaticContact CZ-CD1 3.96Å; F30-F165 HydrophobicContact CZ-CD1 3.96Å; F30-F165 HydrophobicContact CZ-CD2 4.24Å; F30-F165 AromaticContact CZ-CE1 3.92Å; F30-F165 HydrophobicContact CZ-CE1 3.92Å; F30-F165 HydrophobicContact CZ-CE2 4.19Å; F30-F165 HydrophobicContact CZ-CG 4.12Å; F30-F165 HydrophobicContact CZ-CZ 4.04Å; L87-F165 HydrophobicContact CD1-CD2 4.15Å; L87-F165 HydrophobicContact CD1-CE2 4.37Å; T90-F165 HydrophobicContact CG2-CB 4.07Å; T90-F165 WeakPolarHBondContact OG1-CA 3.41Å; F161-F165 VanDerWaalsContact O-CB 3.28Å; F161-F165 WeakPolarHBondContact O-CB 3.46Å; F161-F165 PolarHBondContact O-N 3.44Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 2.96Å; F165-Q168 PolarHBondContact O-N 2.95Å; F165-N169 WeakPolarHBondContact CZ-ND2 3.41Å; F165-N169 PolarHBondContact O-N 3.15Å; F165-N169 PolarHBondContact O-ND2 3.49Å; F165-P173 HydrophobicContact CE1-CG 4.15Å; F165-V175 HydrophobicContact CD1-CG2 4.37Å; F165-V175 HydrophobicContact CE1-CG2 4.27Å
166	L	95.5	Very high	94.5	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.11	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-37.2	175.6	-75.2	167.1	0	0	0	113.1	L162 E164 V175 L196 P197 V198	L162-L166 WeakPolarHBondContact O-CG 3.37Å; L162-L166 PolarHBondContact O-N 2.86Å; E164-L166 VanDerWaalsContact C-N 3.34Å; E164-L166 PolarHBondContact O-N 3.33Å; L166-V175 HydrophobicContact CD2-CB 4.45Å; L166-V175 HydrophobicContact CD2-CG2 3.62Å; L166-V175 HydrophobicContact CG-CG2 4.31Å; L166-L196 HydrophobicContact CD1-CB 4.44Å; L166-P197 HydrophobicContact CD1-CG 3.84Å; L166-P197 HydrophobicContact CD2-CG 4.29Å; L166-V198 HydrophobicContact CD1-CG2 3.62Å
167	A	95.3	Very high	94.6	Very high	77 Å²	77	41.2 Å²	41.2	64%	0.636	21%	0.208	S	C	*	.	H	α-helix	trans	-72.2	-28.3	179.6	0	0	0	0	0	113.3	G163 E164 F165	G163-A167 WeakPolarHBondContact O-CB 3.4Å; G163-A167 PolarHBondContact O-N 2.93Å; E164-A167 PolarHBondContact O-N 3.48Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 2.96Å
168	Q	94.3	Very high	94.6	Very high	49 Å²	49	41.1 Å²	41.1	23%	0.229	21%	0.207	C	C	.	.	H	α-helix	trans	-85.9	-8.7	-180	-62.8	-63.3	-23.2	0	0	113.6	R89 E164 F165	R89-Q168 HydrophobicContact CB-CB 4.44Å; R89-Q168 HydrophobicContact CB-CG 4.16Å; R89-Q168 PolarHBondContact NH2-O 3.44Å; E164-Q168 HydrophobicContact CG-CG 4.4Å; E164-Q168 VanDerWaalsContact O-CG 3.26Å; E164-Q168 WeakPolarHBondContact O-CG 3.11Å; E164-Q168 PolarHBondContact O-N 2.78Å; E164-Q168 PolarHBondContact OE1-NE2 3.17Å; F165-Q168 PolarHBondContact O-N 2.95Å
169	N	91.1	Very high	94.6	Very high	27 Å²	27	41.1 Å²	41.1	14%	0.144	21%	0.207	C	C	.	.			trans	-100.5	113.9	178.2	-82.7	-92.7	0	0	0	110.8	E86 F165 P173	E86-N169 WeakPolarHBondContact CG-OD1 3.47Å; F165-N169 WeakPolarHBondContact CZ-ND2 3.41Å; F165-N169 PolarHBondContact O-N 3.15Å; F165-N169 PolarHBondContact O-ND2 3.49Å; N169-P173 HydrophobicContact CB-CG 4.38Å
170	E	84.2	Confident	94.6	Very high	188 Å²	188	41.2 Å²	41.2	88%	0.879	21%	0.207	S	C	*	.	S	Bend	trans	-72.1	-37.2	-180	-64.5	-174.5	178.7	0	0	112.7	K172	E170-K172 VanDerWaalsContact C-N 3.26Å; E170-K172 PolarHBondContact O-N 3Å
171	E	81.1	Confident	94.6	Very high	174 Å²	174	39.4 Å²	39.4	81%	0.813	20%	0.202	S	C	*	.	S	Bend	trans	-78	-7.8	-177.9	-62.8	-173.5	165.3	0	0	113.8
172	K	84.2	Confident	94.6	Very high	157 Å²	157	40.1 Å²	40.1	68%	0.683	20%	0.204	S	C	*	.			trans	50.1	77.9	177.8	-62.5	-176.7	-177.7	178	0	113.6	E170	E170-K172 VanDerWaalsContact C-N 3.26Å; E170-K172 PolarHBondContact O-N 3Å
173	P	91.3	Very high	94.5	Very high	13 Å²	13	41.1 Å²	41.1	8%	0.084	21%	0.209	C	C	.	.			trans	-65.3	156	178.6	29.2	-35.9	0	0	0	112	V28 F165 N169 V175	V28-P173 HydrophobicContact CG2-CB 4.02Å; V28-P173 HydrophobicContact CG2-CG 4.31Å; F165-P173 HydrophobicContact CE1-CG 4.15Å; N169-P173 HydrophobicContact CB-CG 4.38Å; P173-V175 HydrophobicContact CG-CG2 4.34Å; P173-V175 PolarHBondContact O-N 3.25Å
174	Y	95	Very high	94.6	Very high	43 Å²	43	40.1 Å²	40.1	17%	0.169	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	106.4	170.6	-60.8	-70.5	0	0	0	110	N26 A27 V28 F617 H620 F621	N26-Y174 HydrophobicContact CB-CD2 4.49Å; N26-Y174 WeakPolarHBondContact O-CD2 3.37Å; N26-Y174 PolarHBondContact O-N 2.69Å; A27-Y174 CarbonylContact C-O 3.59Å; A27-Y174 WeakPolarHBondContact CA-O 3.45Å; V28-Y174 PolarHBondContact N-O 3.07Å; Y174-F617 HydrophobicContact CD1-CB 4.21Å; Y174-F617 AromaticContact CD1-CD1 3.92Å; Y174-F617 HydrophobicContact CD1-CD1 3.92Å; Y174-F617 AromaticContact CD1-CD2 3.67Å; Y174-F617 HydrophobicContact CD1-CD2 3.67Å; Y174-F617 HydrophobicContact CD1-CE1 4.15Å; Y174-F617 AromaticContact CD1-CE2 3.92Å; Y174-F617 HydrophobicContact CD1-CE2 3.92Å; Y174-F617 AromaticContact CD1-CG 3.67Å; Y174-F617 HydrophobicContact CD1-CG 3.67Å; Y174-F617 HydrophobicContact CD1-CZ 4.14Å; Y174-F617 HydrophobicContact CE1-CB 4.23Å; Y174-F617 HydrophobicContact CE1-CD1 4.16Å; Y174-F617 HydrophobicContact CE1-CD2 4.48Å; Y174-F617 HydrophobicContact CE1-CG 4.05Å; Y174-F617 HydrophobicContact CG-CD2 4.4Å; Y174-H620 HydrophobicContact CE1-CB 4.37Å; Y174-H620 AromaticContact CE1-CD2 3.93Å; Y174-H620 AromaticContact CZ-CD2 3.81Å; Y174-H620 AromaticContact CZ-CG 3.74Å; Y174-H620 PolarHBondContact OH-CD2 2.9Å; Y174-H620 PolarHBondContact OH-CE1 3.25Å; Y174-H620 VanDerWaalsContact OH-CE1 3.24Å; Y174-H620 PolarHBondContact OH-ND1 3.45Å; Y174-H620 VanDerWaalsContact OH-ND1 3.16Å; Y174-H620 PolarHBondContact OH-NE2 2.88Å; Y174-F621 AromaticContact CD1-CE2 3.77Å; Y174-F621 HydrophobicContact CD1-CE2 3.77Å; Y174-F621 AromaticContact CD2-CE2 3.66Å; Y174-F621 HydrophobicContact CD2-CE2 3.66Å; Y174-F621 AromaticContact CD2-CZ 3.63Å; Y174-F621 HydrophobicContact CD2-CZ 3.63Å; Y174-F621 HydrophobicContact CE1-CE2 4.05Å; Y174-F621 AromaticContact CE2-CE2 3.94Å; Y174-F621 HydrophobicContact CE2-CE2 3.94Å; Y174-F621 HydrophobicContact CE2-CZ 4.1Å; Y174-F621 AromaticContact CG-CE2 3.57Å; Y174-F621 HydrophobicContact CG-CE2 3.57Å; Y174-F621 AromaticContact CG-CZ 3.87Å; Y174-F621 HydrophobicContact CG-CZ 3.87Å
175	V	96.6	Very high	94.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.3	-177.5	-178.7	0	0	0	0	110.8	V28 F30 L162 F165 L166 P173 V198 A199	V28-V175 WeakPolarHBondContact O-CA 3.38Å; F30-V175 HydrophobicContact CD2-CG1 3.61Å; F30-V175 HydrophobicContact CE2-CG1 3.92Å; L162-V175 HydrophobicContact CD2-CG1 4.34Å; F165-V175 HydrophobicContact CD1-CG2 4.37Å; F165-V175 HydrophobicContact CE1-CG2 4.27Å; L166-V175 HydrophobicContact CD2-CB 4.45Å; L166-V175 HydrophobicContact CD2-CG2 3.62Å; L166-V175 HydrophobicContact CG-CG2 4.31Å; P173-V175 HydrophobicContact CG-CG2 4.34Å; P173-V175 PolarHBondContact O-N 3.25Å; V175-V198 HydrophobicContact CB-CG1 4.36Å; V175-V198 HydrophobicContact CB-CG2 4.22Å; V175-V198 HydrophobicContact CG1-CG1 3.98Å; V175-V198 HydrophobicContact CG1-CG2 4.25Å; V175-V198 WeakPolarHBondContact O-CA 3.32Å; V175-A199 PolarHBondContact O-N 2.85Å
176	V	98	Very high	94.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.1	167	-174.5	0	0	0	0	108.6	V28 L29 F30 W58 A199 I201 R609 L613	V28-V176 PolarHBondContact O-N 3.36Å; L29-V176 HydrophobicContact CD1-CB 3.97Å; L29-V176 HydrophobicContact CD1-CG1 3.86Å; F30-V176 PolarHBondContact N-O 2.79Å; W58-V176 HydrophobicContact CH2-CG2 4.21Å; V176-A199 CarbonylContact C-O 3.53Å; V176-A199 WeakPolarHBondContact CA-O 3.35Å; V176-A199 HydrophobicContact CG2-CB 4.27Å; V176-I201 HydrophobicContact CG1-CD1 3.88Å; V176-I201 HydrophobicContact CG1-CG1 4.46Å; V176-R609 HydrophobicContact CG1-CG 4.42Å; V176-L613 HydrophobicContact CG2-CD1 4.03Å; V176-L613 HydrophobicContact CG2-CD2 3.51Å; V176-L613 HydrophobicContact CG2-CG 3.63Å
177	A	98.6	Very high	94.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	109.9	173.4	0	0	0	0	0	110.1	F30 L162 F179 V198 A199 T200 I201	F30-A177 CarbonylContact O-C 3.26Å; F30-A177 VanDerWaalsContact O-CA 3.31Å; F30-A177 WeakPolarHBondContact O-CA 3.5Å; L162-A177 HydrophobicContact CD1-CB 3.85Å; A177-F179 HydrophobicContact CB-CD2 4.25Å; A177-F179 HydrophobicContact CB-CE2 3.43Å; A177-F179 VanDerWaalsContact CB-CE2 3.43Å; A177-F179 HydrophobicContact CB-CZ 3.98Å; A177-F179 WeakPolarHBondContact O-CD2 3.36Å; A177-V198 HydrophobicContact CB-CG1 3.49Å; A177-V198 VanDerWaalsContact CB-CG1 3.49Å; A177-A199 PolarHBondContact N-O 2.82Å; A177-T200 WeakPolarHBondContact O-CA 3.05Å; A177-I201 PolarHBondContact O-N 2.92Å
178	H	98.8	Very high	94.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	108.2	-177.4	-165.4	152	0	0	0	109.8	L29 F30 E31 V32 H180 I201 T203 Y605	L29-H178 HydrophobicContact CD1-CB 4.37Å; F30-H178 PolarHBondContact O-N 3.12Å; E31-H178 CarbonylContact C-O 3.55Å; E31-H178 WeakPolarHBondContact CA-O 3.44Å; E31-H178 HydrophobicContact CG-CB 4.27Å; V32-H178 PolarHBondContact N-O 3.42Å; H178-H180 AromaticContact CD2-NE2 3.81Å; H178-H180 AromaticContact NE2-CE1 3.76Å; H178-H180 AromaticContact NE2-NE2 3.94Å; H178-I201 HydrophobicContact CB-CB 4.25Å; H178-I201 HydrophobicContact CB-CD1 4.34Å; H178-I201 WeakPolarHBondContact NE2-CG2 3.42Å; H178-T203 PolarHBondContact NE2-OG1 3.47Å; H178-Y605 AromaticContact CE1-CD1 3.52Å; H178-Y605 AromaticContact CE1-CE1 3.58Å
179	F	98.8	Very high	95.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131	-176.1	-63.3	-98.7	0	0	0	111.3	V32 T158 L162 A177 A184 L188 T200 I201 F202 T203	V32-F179 HydrophobicContact CB-CD1 3.74Å; V32-F179 HydrophobicContact CB-CE1 4.01Å; V32-F179 HydrophobicContact CB-CG 4.3Å; V32-F179 HydrophobicContact CG1-CD1 3.9Å; V32-F179 HydrophobicContact CG1-CE1 4.01Å; V32-F179 HydrophobicContact CG2-CD1 4.1Å; V32-F179 HydrophobicContact CG2-CE1 3.93Å; V32-F179 HydrophobicContact CG2-CZ 4.27Å; V32-F179 WeakPolarHBondContact O-CA 3.27Å; T158-F179 HydrophobicContact CG2-CE1 3.88Å; T158-F179 HydrophobicContact CG2-CZ 4.29Å; L162-F179 HydrophobicContact CD1-CZ 4.11Å; A177-F179 HydrophobicContact CB-CD2 4.25Å; A177-F179 HydrophobicContact CB-CE2 3.43Å; A177-F179 VanDerWaalsContact CB-CE2 3.43Å; A177-F179 HydrophobicContact CB-CZ 3.98Å; A177-F179 WeakPolarHBondContact O-CD2 3.36Å; F179-A184 HydrophobicContact CB-CB 4.42Å; F179-A184 HydrophobicContact CD1-CB 4.12Å; F179-A184 WeakPolarHBondContact CD1-O 3.4Å; F179-L188 HydrophobicContact CB-CB 4.45Å; F179-L188 HydrophobicContact CB-CD1 4.26Å; F179-L188 HydrophobicContact CD1-CB 4.24Å; F179-L188 HydrophobicContact CD2-CB 3.64Å; F179-L188 HydrophobicContact CD2-CD1 3.82Å; F179-L188 HydrophobicContact CD2-CG 4.07Å; F179-L188 HydrophobicContact CE1-CB 4.39Å; F179-L188 HydrophobicContact CE2-CB 3.8Å; F179-L188 HydrophobicContact CE2-CG 4.31Å; F179-L188 HydrophobicContact CG-CB 3.86Å; F179-L188 HydrophobicContact CG-CD1 4.26Å; F179-L188 HydrophobicContact CZ-CB 4.18Å; F179-T200 HydrophobicContact CE2-CG2 4.42Å; F179-I201 PolarHBondContact N-O 3.39Å; F179-F202 HydrophobicContact CB-CD2 4.36Å; F179-F202 WeakPolarHBondContact O-CA 3.18Å; F179-T203 PolarHBondContact O-N 2.99Å
180	H	98.7	Very high	95.4	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.5	174.7	-66.2	-84.7	0	0	0	111.5	E31 V32 A33 I43 H178 A184 H205 Y605	E31-H180 WeakPolarHBondContact CG-NE2 3.49Å; E31-H180 IonicContact OE1-NE2 2.85Å; V32-H180 PolarHBondContact O-N 3.15Å; A33-H180 HydrophobicContact CB-CB 3.86Å; I43-H180 HydrophobicContact CG2-CB 4.26Å; H178-H180 AromaticContact CD2-NE2 3.81Å; H178-H180 AromaticContact NE2-CE1 3.76Å; H178-H180 AromaticContact NE2-NE2 3.94Å; H180-A184 WeakPolarHBondContact O-CB 3.38Å; H180-H205 AromaticContact CG-NE2 3.87Å; H180-H205 AromaticContact ND1-NE2 3.12Å; H180-H205 PolarHBondContact ND1-NE2 2.49Å; H180-H205 VanDerWaalsContact ND1-NE2 3.12Å; H180-Y605 AromaticContact CE1-CE1 3.88Å
181	E	97.9	Very high	96.1	Very high	21 Å²	21	21.5 Å²	21.5	10%	0.098	10%	0.098	C	C	.	.	H	α-helix	trans	61.9	161	178.7	-82.1	-57.2	154.2	0	0	117	I43 L183 A184 G185 F202 T203 T204 H205 A206	I43-E181 HydrophobicContact CD1-CB 4.03Å; I43-E181 HydrophobicContact CD1-CG 3.27Å; E181-L183 PolarHBondContact O-N 3.24Å; E181-L183 VanDerWaalsContact O-N 3.12Å; E181-A184 PolarHBondContact O-N 3.36Å; E181-G185 PolarHBondContact O-N 3.04Å; E181-F202 WeakPolarHBondContact O-CE2 3.18Å; E181-T203 PolarHBondContact N-O 3.21Å; E181-T204 PolarHBondContact OE1-OG1 3.01Å; E181-H205 HydrophobicContact CG-CB 4.46Å; E181-H205 WeakPolarHBondContact OE1-CA 3.36Å; E181-H205 WeakPolarHBondContact OE1-CB 3.26Å; E181-H205 PolarHBondContact OE1-N 2.74Å; E181-A206 PolarHBondContact OE1-N 3.05Å
182	W	97.7	Very high	96.8	Very high	14 Å²	14	18.1 Å²	18.1	5%	0.053	8%	0.078	C	C	.	.	H	α-helix	trans	-58.5	-26.9	-176.2	72.1	-87.6	0	0	0	113.9	E147 A151 A184 G185 L208 R241 M244 E245	E147-W182 HydrophobicContact CG-CH2 3.98Å; E147-W182 HydrophobicContact CG-CZ2 4.26Å; A151-W182 HydrophobicContact CB-CZ3 4.36Å; W182-A184 VanDerWaalsContact C-N 3.26Å; W182-A184 PolarHBondContact O-N 3.49Å; W182-G185 PolarHBondContact O-N 3.28Å; W182-L208 HydrophobicContact CD2-CD1 4.15Å; W182-L208 HydrophobicContact CG-CD1 3.95Å; W182-L208 HydrophobicContact CG-CG 4.45Å; W182-R241 HydrophobicContact CE3-CB 4.29Å; W182-R241 HydrophobicContact CH2-CB 4.18Å; W182-R241 HydrophobicContact CH2-CG 3.75Å; W182-R241 HydrophobicContact CZ2-CB 4.49Å; W182-R241 HydrophobicContact CZ2-CG 4.33Å; W182-R241 HydrophobicContact CZ3-CB 4.08Å; W182-R241 HydrophobicContact CZ3-CG 3.93Å; W182-M244 HydrophobicContact CE3-CB 4.31Å; W182-M244 HydrophobicContact CE3-CE 4.11Å; W182-M244 HydrophobicContact CE3-SD 4.1Å; W182-M244 HydrophobicContact CZ3-CE 4.02Å; W182-M244 HydrophobicContact CZ3-SD 3.94Å; W182-E245 HydrophobicContact CB-CB 3.63Å; W182-E245 HydrophobicContact CB-CG 4.1Å; W182-E245 HydrophobicContact CG-CB 4.48Å
183	L	97.6	Very high	97.4	Very high	22 Å²	22	12.9 Å²	12.9	12%	0.115	6%	0.064	C	C	.	.	H	α-helix	trans	-61.1	-32.8	175.9	-69.2	172.4	0	0	0	112.8	W34 E147 A151 E181	W34-L183 HydrophobicContact CB-CB 3.91Å; W34-L183 HydrophobicContact CB-CD1 3.89Å; W34-L183 HydrophobicContact CD2-CD1 4.47Å; W34-L183 HydrophobicContact CG-CB 4.29Å; W34-L183 HydrophobicContact CG-CD1 3.8Å; E147-L183 HydrophobicContact CG-CD2 3.61Å; A151-L183 HydrophobicContact CB-CD2 4.08Å; A151-L183 WeakPolarHBondContact CB-O 3.41Å; E181-L183 PolarHBondContact O-N 3.24Å; E181-L183 VanDerWaalsContact O-N 3.12Å
184	A	97.9	Very high	97.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-94.5	-13.3	173.6	0	0	0	0	0	112.5	V32 F154 F179 H180 E181 W182 I186 G187	V32-A184 HydrophobicContact CG1-CB 4.16Å; F154-A184 HydrophobicContact CE1-CB 4Å; F179-A184 HydrophobicContact CB-CB 4.42Å; F179-A184 HydrophobicContact CD1-CB 4.12Å; F179-A184 WeakPolarHBondContact CD1-O 3.4Å; H180-A184 WeakPolarHBondContact O-CB 3.38Å; E181-A184 PolarHBondContact O-N 3.36Å; W182-A184 VanDerWaalsContact C-N 3.26Å; W182-A184 PolarHBondContact O-N 3.49Å; A184-I186 VanDerWaalsContact C-N 3.31Å; A184-I186 PolarHBondContact O-N 3.08Å; A184-G187 PolarHBondContact O-N 3.37Å; A184-G187 VanDerWaalsContact O-N 3.16Å
185	G	97.3	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-28	-169.3	0	0	0	0	0	115.7	E181 W182 G187 L188 C189	E181-G185 PolarHBondContact O-N 3.04Å; W182-G185 PolarHBondContact O-N 3.28Å; G185-G187 VanDerWaalsContact C-N 3.27Å; G185-G187 PolarHBondContact O-N 3.49Å; G185-L188 WeakPolarHBondContact O-CB 3.45Å; G185-L188 PolarHBondContact O-N 3.11Å; G185-C189 PolarHBondContact O-N 3.31Å; G185-C189 VanDerWaalsContact O-N 3.15Å; G185-C189 PolarHBondContact O-SG 2.64Å; G185-C189 VanDerWaalsContact O-SG 3.42Å
186	I	98.3	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.3	-37	177.1	-66.5	-55.2	0	0	0	111.9	L133 F156 A184 L188 C189 L190 M244	L133-I186 HydrophobicContact CD1-CD1 4.03Å; L133-I186 HydrophobicContact CD1-CG2 4.36Å; L133-I186 HydrophobicContact CD2-CD1 4.11Å; F156-I186 HydrophobicContact CD2-CG2 4.34Å; F156-I186 HydrophobicContact CE2-CG2 4.46Å; A184-I186 VanDerWaalsContact C-N 3.31Å; A184-I186 PolarHBondContact O-N 3.08Å; I186-L188 VanDerWaalsContact C-N 3.25Å; I186-L188 PolarHBondContact O-N 3.31Å; I186-C189 PolarHBondContact O-N 3.28Å; I186-L190 HydrophobicContact CG2-CD1 3.74Å; I186-L190 HydrophobicContact CG2-CG 4.17Å; I186-L190 WeakPolarHBondContact O-CG 3.47Å; I186-L190 PolarHBondContact O-N 2.78Å; I186-M244 HydrophobicContact CD1-CB 4.1Å; I186-M244 HydrophobicContact CD1-CE 3.81Å; I186-M244 HydrophobicContact CD1-CG 3.83Å; I186-M244 HydrophobicContact CG1-CE 3.41Å; I186-M244 VanDerWaalsContact CG1-CE 3.41Å; I186-M244 HydrophobicContact CG1-CG 4.48Å
187	G	97.9	Very high	97.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-39.7	178.1	0	0	0	0	0	111.8	G155 T159 A184 G185 L190 C191	G155-G187 VanDerWaalsContact CA-N 3.35Å; G155-G187 VanDerWaalsContact O-CA 3.29Å; G155-G187 WeakPolarHBondContact O-CA 3.5Å; T159-G187 WeakPolarHBondContact OG1-CA 3.21Å; T159-G187 PolarHBondContact OG1-O 3.22Å; T159-G187 VanDerWaalsContact OG1-O 3.09Å; A184-G187 PolarHBondContact O-N 3.37Å; A184-G187 VanDerWaalsContact O-N 3.16Å; G185-G187 VanDerWaalsContact C-N 3.27Å; G185-G187 PolarHBondContact O-N 3.49Å; G187-L190 PolarHBondContact O-N 2.9Å; G187-C191 WeakPolarHBondContact O-CB 3.31Å; G187-C191 PolarHBondContact O-N 3.09Å; G187-C191 PolarHBondContact O-SG 2.45Å
188	L	98.1	Very high	97.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-48.2	175.6	-177.2	159.9	0	0	0	112.1	F179 G185 I186 L190 C191 R192 T200 F202 A248 C251 A252	F179-L188 HydrophobicContact CB-CB 4.45Å; F179-L188 HydrophobicContact CB-CD1 4.26Å; F179-L188 HydrophobicContact CD1-CB 4.24Å; F179-L188 HydrophobicContact CD2-CB 3.64Å; F179-L188 HydrophobicContact CD2-CD1 3.82Å; F179-L188 HydrophobicContact CD2-CG 4.07Å; F179-L188 HydrophobicContact CE1-CB 4.39Å; F179-L188 HydrophobicContact CE2-CB 3.8Å; F179-L188 HydrophobicContact CE2-CG 4.31Å; F179-L188 HydrophobicContact CG-CB 3.86Å; F179-L188 HydrophobicContact CG-CD1 4.26Å; F179-L188 HydrophobicContact CZ-CB 4.18Å; G185-L188 WeakPolarHBondContact O-CB 3.45Å; G185-L188 PolarHBondContact O-N 3.11Å; I186-L188 VanDerWaalsContact C-N 3.25Å; I186-L188 PolarHBondContact O-N 3.31Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 2.8Å; L188-C191 PolarHBondContact O-N 2.94Å; L188-R192 HydrophobicContact CD2-CG 4.48Å; L188-R192 PolarHBondContact O-N 2.67Å; L188-T200 HydrophobicContact CG-CG2 4.32Å; L188-F202 HydrophobicContact CD1-CB 3.68Å; L188-F202 HydrophobicContact CD1-CD2 4.41Å; L188-F202 HydrophobicContact CD1-CG 4.42Å; L188-A248 WeakPolarHBondContact CD2-O 3.44Å; L188-C251 HydrophobicContact CD2-CB 3.43Å; L188-C251 VanDerWaalsContact CD2-CB 3.43Å; L188-A252 HydrophobicContact CD1-CB 3.89Å; L188-A252 HydrophobicContact CD2-CB 4.38Å
189	C	97.8	Very high	97.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-55.9	-46	178.6	-64.9	0	0	0	0	111.3	G185 I186 R192 A193 A247 A248	G185-C189 PolarHBondContact O-N 3.31Å; G185-C189 VanDerWaalsContact O-N 3.15Å; G185-C189 PolarHBondContact O-SG 2.64Å; G185-C189 VanDerWaalsContact O-SG 3.42Å; I186-C189 PolarHBondContact O-N 3.28Å; C189-R192 PolarHBondContact O-N 3.12Å; C189-A193 WeakPolarHBondContact O-CB 3.4Å; C189-A193 PolarHBondContact O-N 3.03Å; C189-A247 VanDerWaalsContact SG-C 3.53Å; C189-A248 PolarHBondContact SG-N 3.08Å; C189-A248 VanDerWaalsContact SG-N 3.44Å
190	L	98.1	Very high	97.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-70.6	-37	-179.1	-65.4	171.8	0	0	0	112.6	F156 T159 I186 G187 L188 R192 A193 R194	F156-L190 HydrophobicContact CB-CD1 4.41Å; F156-L190 HydrophobicContact CD1-CD1 3.93Å; F156-L190 HydrophobicContact CD2-CD1 3.49Å; F156-L190 VanDerWaalsContact CD2-CD1 3.49Å; F156-L190 HydrophobicContact CE1-CD1 4.01Å; F156-L190 HydrophobicContact CE1-CD2 4.41Å; F156-L190 HydrophobicContact CE2-CD1 3.58Å; F156-L190 HydrophobicContact CE2-CD2 4.35Å; F156-L190 HydrophobicContact CG-CD1 3.69Å; F156-L190 HydrophobicContact CZ-CD1 3.84Å; F156-L190 HydrophobicContact CZ-CD2 4.02Å; T159-L190 HydrophobicContact CG2-CB 3.78Å; T159-L190 WeakPolarHBondContact OG1-CB 3.41Å; I186-L190 HydrophobicContact CG2-CD1 3.74Å; I186-L190 HydrophobicContact CG2-CG 4.17Å; I186-L190 WeakPolarHBondContact O-CG 3.47Å; I186-L190 PolarHBondContact O-N 2.78Å; G187-L190 PolarHBondContact O-N 2.9Å; L188-L190 VanDerWaalsContact C-N 3.29Å; L188-L190 PolarHBondContact O-N 2.8Å; L190-R192 PolarHBondContact O-N 3.13Å; L190-A193 PolarHBondContact O-N 3.21Å; L190-R194 WeakPolarHBondContact O-CB 3.38Å; L190-R194 WeakPolarHBondContact O-CG 3.37Å; L190-R194 PolarHBondContact O-N 2.97Å
191	C	98	Very high	97.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-55.6	-42.7	172.7	-71.9	0	0	0	0	111.2	G187 L188 R195 L196 T200	G187-C191 WeakPolarHBondContact O-CB 3.31Å; G187-C191 PolarHBondContact O-N 3.09Å; G187-C191 PolarHBondContact O-SG 2.45Å; L188-C191 PolarHBondContact O-N 2.94Å; C191-R195 PolarHBondContact O-N 2.97Å; C191-L196 HydrophobicContact CB-CD1 4.37Å; C191-L196 PolarHBondContact O-N 3.09Å; C191-T200 HydrophobicContact CB-CG2 4.32Å
192	R	96.9	Very high	97.6	Very high	102 Å²	102	30.2 Å²	30.2	39%	0.385	14%	0.139	S	C	.	.	H	α-helix	trans	-71.9	-44.8	177.6	-67.4	-67.4	-51.4	-101.5	8.7	112.7	L188 C189 L190 R194 R195 C251	L188-R192 HydrophobicContact CD2-CG 4.48Å; L188-R192 PolarHBondContact O-N 2.67Å; C189-R192 PolarHBondContact O-N 3.12Å; L190-R192 PolarHBondContact O-N 3.13Å; R192-R194 VanDerWaalsContact C-N 3.3Å; R192-R194 PolarHBondContact O-N 2.96Å; R192-R195 PolarHBondContact O-N 3.45Å; R192-R195 VanDerWaalsContact O-N 3.11Å; R192-C251 HydrophobicContact CB-CB 4.41Å; R192-C251 WeakPolarHBondContact CD-O 3.48Å; R192-C251 HydrophobicContact CG-CB 4.16Å; R192-C251 WeakPolarHBondContact CG-O 3.13Å; R192-C251 PolarHBondContact NH1-O 3.19Å
193	A	96.3	Very high	97.6	Very high	48 Å²	48	29.5 Å²	29.5	40%	0.397	14%	0.137	S	C	.	.	H	α-helix	trans	-61.4	-39.8	179.4	0	0	0	0	0	112.1	T136 C189 L190 R195	T136-A193 HydrophobicContact CG2-CB 3.34Å; C189-A193 WeakPolarHBondContact O-CB 3.4Å; C189-A193 PolarHBondContact O-N 3.03Å; L190-A193 PolarHBondContact O-N 3.21Å; A193-R195 VanDerWaalsContact C-N 3.29Å; A193-R195 PolarHBondContact O-N 3.22Å
194	R	96.6	Very high	97.6	Very high	100 Å²	100	28.5 Å²	28.5	38%	0.377	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.9	177.5	-64	-179.5	179.6	173.8	1.3	113.9	E132 L190 R192 L196	E132-R194 IonicContact OE1-CZ 3.88Å; E132-R194 IonicContact OE1-NE 3.45Å; E132-R194 IonicContact OE1-NH2 2.77Å; E132-R194 PolarHBondContact OE1-NH2 3.47Å; E132-R194 IonicContact OE2-NH2 2.76Å; L190-R194 WeakPolarHBondContact O-CB 3.38Å; L190-R194 WeakPolarHBondContact O-CG 3.37Å; L190-R194 PolarHBondContact O-N 2.97Å; R192-R194 VanDerWaalsContact C-N 3.3Å; R192-R194 PolarHBondContact O-N 2.96Å; R194-L196 VanDerWaalsContact C-N 3.27Å; R194-L196 HydrophobicContact CB-CD2 4.44Å; R194-L196 HydrophobicContact CB-CG 4.31Å; R194-L196 PolarHBondContact O-N 2.67Å
195	R	96.4	Very high	97.6	Very high	223 Å²	223	29.2 Å²	29.2	84%	0.842	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	42.5	-179.1	-54	-179.4	-177.7	-175.5	-0.6	112.9	C191 R192 A193	C191-R195 PolarHBondContact O-N 2.97Å; R192-R195 PolarHBondContact O-N 3.45Å; R192-R195 VanDerWaalsContact O-N 3.11Å; A193-R195 VanDerWaalsContact C-N 3.29Å; A193-R195 PolarHBondContact O-N 3.22Å
196	L	96.6	Very high	97.5	Very high	41 Å²	41	30.4 Å²	30.4	22%	0.215	14%	0.144	C	C	.	.			trans	-64.7	138.7	171.9	-60.2	-174.7	0	0	0	109.2	T159 L166 C191 R194 V198	T159-L196 HydrophobicContact CG2-CD1 3.87Å; L166-L196 HydrophobicContact CD1-CB 4.44Å; C191-L196 HydrophobicContact CB-CD1 4.37Å; C191-L196 PolarHBondContact O-N 3.09Å; R194-L196 VanDerWaalsContact C-N 3.27Å; R194-L196 HydrophobicContact CB-CD2 4.44Å; R194-L196 HydrophobicContact CB-CG 4.31Å; R194-L196 PolarHBondContact O-N 2.67Å; L196-V198 HydrophobicContact CB-CG2 3.99Å; L196-V198 PolarHBondContact O-N 2.75Å
197	P	95.7	Very high	97.4	Very high	75 Å²	75	30.4 Å²	30.4	49%	0.487	15%	0.145	S	C	.	.	S	Bend	trans	-73.6	70.7	175.7	31.6	-36.6	0	0	0	110.4	L166 F617	L166-P197 HydrophobicContact CD1-CG 3.84Å; L166-P197 HydrophobicContact CD2-CG 4.29Å; P197-F617 HydrophobicContact CB-CE1 4.31Å
198	V	97.1	Very high	97.2	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.7	-177.4	-179.8	0	0	0	0	109.2	L166 V175 A177 L196 T200 H253	L166-V198 HydrophobicContact CD1-CG2 3.62Å; V175-V198 HydrophobicContact CB-CG1 4.36Å; V175-V198 HydrophobicContact CB-CG2 4.22Å; V175-V198 HydrophobicContact CG1-CG1 3.98Å; V175-V198 HydrophobicContact CG1-CG2 4.25Å; V175-V198 WeakPolarHBondContact O-CA 3.32Å; A177-V198 HydrophobicContact CB-CG1 3.49Å; A177-V198 VanDerWaalsContact CB-CG1 3.49Å; L196-V198 HydrophobicContact CB-CG2 3.99Å; L196-V198 PolarHBondContact O-N 2.75Å; V198-T200 HydrophobicContact CG1-CG2 4.19Å; V198-H253 PolarHBondContact O-CE1 3.06Å
199	A	97.9	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.2	167.9	0	0	0	0	0	109.2	V175 V176 A177 A612 L613 A616 F617	V175-A199 PolarHBondContact O-N 2.85Å; V176-A199 CarbonylContact C-O 3.53Å; V176-A199 WeakPolarHBondContact CA-O 3.35Å; V176-A199 HydrophobicContact CG2-CB 4.27Å; A177-A199 PolarHBondContact N-O 2.82Å; A199-A612 HydrophobicContact CB-CB 4.11Å; A199-A612 WeakPolarHBondContact CB-O 3.25Å; A199-L613 HydrophobicContact CB-CD2 4.28Å; A199-A616 HydrophobicContact CB-CB 3.69Å; A199-F617 HydrophobicContact CB-CE2 4.06Å
200	T	98.7	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.3	-172.6	59.5	0	0	0	0	112.6	A177 F179 L188 C191 V198 H253 V254	A177-T200 WeakPolarHBondContact O-CA 3.05Å; F179-T200 HydrophobicContact CE2-CG2 4.42Å; L188-T200 HydrophobicContact CG-CG2 4.32Å; C191-T200 HydrophobicContact CB-CG2 4.32Å; V198-T200 HydrophobicContact CG1-CG2 4.19Å; T200-H253 PolarHBondContact N-ND1 2.85Å; T200-H253 WeakPolarHBondContact O-CB 3.16Å; T200-H253 PolarHBondContact O-N 3.4Å; T200-H253 PolarHBondContact OG1-N 2.98Å; T200-H253 PolarHBondContact OG1-ND1 2.92Å; T200-V254 PolarHBondContact O-N 3.29Å; T200-V254 VanDerWaalsContact O-N 3.16Å
201	I	98.8	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.8	176.1	-50.6	168.7	0	0	0	108.3	V176 A177 H178 F179 V254 T256 R609 A612	V176-I201 HydrophobicContact CG1-CD1 3.88Å; V176-I201 HydrophobicContact CG1-CG1 4.46Å; A177-I201 PolarHBondContact O-N 2.92Å; H178-I201 HydrophobicContact CB-CB 4.25Å; H178-I201 HydrophobicContact CB-CD1 4.34Å; H178-I201 WeakPolarHBondContact NE2-CG2 3.42Å; F179-I201 PolarHBondContact N-O 3.39Å; I201-V254 CarbonylContact C-O 3.6Å; I201-V254 VanDerWaalsContact CA-O 3.3Å; I201-V254 WeakPolarHBondContact CA-O 3.44Å; I201-V254 HydrophobicContact CG1-CB 4.34Å; I201-V254 HydrophobicContact CG2-CB 4.35Å; I201-V254 HydrophobicContact CG2-CG1 4.4Å; I201-T256 HydrophobicContact CG2-CG2 4.24Å; I201-R609 HydrophobicContact CD1-CB 4.32Å; I201-R609 HydrophobicContact CD1-CG 3.8Å; I201-A612 HydrophobicContact CD1-CB 3.93Å; I201-A612 HydrophobicContact CG1-CB 3.55Å
202	F	98.9	Very high	95.9	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.3	170.6	-175.5	-119.3	0	0	0	109.7	F179 E181 L188 A248 A249 A252 V254 F255 T256	F179-F202 HydrophobicContact CB-CD2 4.36Å; F179-F202 WeakPolarHBondContact O-CA 3.18Å; E181-F202 WeakPolarHBondContact O-CE2 3.18Å; L188-F202 HydrophobicContact CD1-CB 3.68Å; L188-F202 HydrophobicContact CD1-CD2 4.41Å; L188-F202 HydrophobicContact CD1-CG 4.42Å; F202-A248 HydrophobicContact CD1-CB 4.28Å; F202-A248 HydrophobicContact CD2-CB 3.8Å; F202-A248 HydrophobicContact CE1-CB 4.12Å; F202-A248 HydrophobicContact CE2-CB 3.62Å; F202-A248 HydrophobicContact CG-CB 4.13Å; F202-A248 HydrophobicContact CZ-CB 3.79Å; F202-A249 HydrophobicContact CD1-CB 3.89Å; F202-A249 HydrophobicContact CE1-CB 4Å; F202-A252 HydrophobicContact CB-CB 3.63Å; F202-V254 PolarHBondContact N-O 2.72Å; F202-F255 HydrophobicContact CB-CD2 4.32Å; F202-F255 AromaticContact CD1-CD2 3.62Å; F202-F255 HydrophobicContact CD1-CD2 3.62Å; F202-F255 AromaticContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CE1-CD2 4.47Å; F202-F255 HydrophobicContact CE1-CE2 4.03Å; F202-F255 HydrophobicContact CG-CD2 4.43Å; F202-F255 CarbonylContact O-C 3.57Å; F202-F255 WeakPolarHBondContact O-CA 3.47Å; F202-F255 WeakPolarHBondContact O-CD2 3.45Å; F202-T256 PolarHBondContact O-N 3.07Å
203	T	98.8	Very high	95.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.9	170.9	-57.6	0	0	0	0	109.7	H178 F179 E181 T256 V258	H178-T203 PolarHBondContact NE2-OG1 3.47Å; F179-T203 PolarHBondContact O-N 2.99Å; E181-T203 PolarHBondContact N-O 3.21Å; T203-T256 WeakPolarHBondContact CA-O 3.31Å; T203-T256 WeakPolarHBondContact CB-OG1 3.37Å; T203-T256 WeakPolarHBondContact CG2-OG1 3.46Å; T203-T256 PolarHBondContact OG1-OG1 3.03Å; T203-V258 HydrophobicContact CG2-CG1 4.17Å
204	T	98.2	Very high	95	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.3	165.7	-179.6	0	0	0	0	109.3	E181 A206 F255 T256 T257 L270	E181-T204 PolarHBondContact OE1-OG1 3.01Å; T204-A206 VanDerWaalsContact OG1-C 3.32Å; T204-A206 PolarHBondContact OG1-O 3.05Å; T204-F255 HydrophobicContact CG2-CE2 3.6Å; T204-F255 HydrophobicContact CG2-CZ 3.68Å; T204-T256 PolarHBondContact N-O 3.09Å; T204-T256 VanDerWaalsContact N-O 3.12Å; T204-T257 HydrophobicContact CG2-CG2 3.63Å; T204-T257 WeakPolarHBondContact O-CA 3.33Å; T204-L270 HydrophobicContact CG2-CD1 4.25Å
205	H	96.8	Very high	94.3	Very high	16 Å²	16	32.8 Å²	32.8	7%	0.074	16%	0.161	C	C	.	.	S	Bend	trans	-87.4	-22.7	176.5	-70.1	-100.4	0	0	0	111.2	I43 H180 E181 V258 P511	I43-H205 HydrophobicContact CD1-CB 4.37Å; I43-H205 HydrophobicContact CG1-CB 4.32Å; H180-H205 AromaticContact CG-NE2 3.87Å; H180-H205 AromaticContact ND1-NE2 3.12Å; H180-H205 PolarHBondContact ND1-NE2 2.49Å; H180-H205 VanDerWaalsContact ND1-NE2 3.12Å; E181-H205 HydrophobicContact CG-CB 4.46Å; E181-H205 WeakPolarHBondContact OE1-CA 3.36Å; E181-H205 WeakPolarHBondContact OE1-CB 3.26Å; E181-H205 PolarHBondContact OE1-N 2.74Å; H205-V258 HydrophobicContact CB-CG1 4.41Å; H205-V258 WeakPolarHBondContact ND1-CG1 3.42Å; H205-V258 WeakPolarHBondContact O-CG2 3.41Å; H205-P511 WeakPolarHBondContact O-CB 3.49Å
206	A	95.4	Very high	93.3	Very high	24 Å²	24	24.3 Å²	24.3	20%	0.198	14%	0.143	C	C	.	.	S	Bend	trans	-160.5	147.1	172.2	0	0	0	0	0	108.4	E181 T204 P511	E181-A206 PolarHBondContact OE1-N 3.05Å; T204-A206 VanDerWaalsContact OG1-C 3.32Å; T204-A206 PolarHBondContact OG1-O 3.05Å; A206-P511 HydrophobicContact CB-CB 4.24Å; A206-P511 HydrophobicContact CB-CG 3.56Å
207	T	96.3	Very high	92.1	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	17%	0.173	C	C	.	.			trans	-79.9	145.4	170.1	88.7	0	0	0	0	110.7	G210 R211 E245 E265 A266 L269 L270 Y509	T207-G210 PolarHBondContact OG1-N 3.47Å; T207-R211 PolarHBondContact O-N 2.77Å; T207-E245 WeakPolarHBondContact CA-OE1 3.34Å; T207-E265 VanDerWaalsContact CB-OE1 3.27Å; T207-E265 WeakPolarHBondContact CB-OE1 3.45Å; T207-E265 HydrophobicContact CG2-CG 3.77Å; T207-E265 WeakPolarHBondContact CG2-OE1 3.4Å; T207-E265 PolarHBondContact OG1-OE1 2.9Å; T207-A266 HydrophobicContact CG2-CB 4.34Å; T207-L269 WeakPolarHBondContact OG1-CD1 3.26Å; T207-L270 HydrophobicContact CG2-CD1 4.18Å; T207-L270 HydrophobicContact CG2-CG 4.27Å; T207-Y509 PolarHBondContact O-OH 3.2Å
208	L	94.3	Very high	91.5	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.105	17%	0.165	C	C	.	.	H	α-helix	trans	-55.3	-56.2	174.1	-80.1	166.9	0	0	0	110.5	W182 G210 R211 Y212 R241 E245	W182-L208 HydrophobicContact CD2-CD1 4.15Å; W182-L208 HydrophobicContact CG-CD1 3.95Å; W182-L208 HydrophobicContact CG-CG 4.45Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 3.17Å; L208-R211 PolarHBondContact O-N 3.15Å; L208-Y212 VanDerWaalsContact O-CD2 3.28Å; L208-Y212 WeakPolarHBondContact O-CD2 3.32Å; L208-Y212 PolarHBondContact O-N 3.22Å; L208-R241 VanDerWaalsContact CD1-C 3.49Å; L208-R241 HydrophobicContact CD1-CB 3.67Å; L208-R241 WeakPolarHBondContact CD1-O 3.26Å; L208-E245 WeakPolarHBondContact CB-OE2 3.26Å; L208-E245 HydrophobicContact CD1-CB 4.05Å; L208-E245 PolarHBondContact N-OE1 2.79Å; L208-E245 PolarHBondContact N-OE2 3.39Å; L208-E245 VanDerWaalsContact N-OE2 3.15Å
209	L	94.3	Very high	91.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.9	-40.8	-175.7	-84.1	177.1	0	0	0	112.6	R211 Y212 L213 V229 E232 A233 I238 Y242 L269	L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 3.33Å; L209-Y212 PolarHBondContact O-N 2.79Å; L209-L213 HydrophobicContact CB-CD1 4.25Å; L209-L213 WeakPolarHBondContact O-CB 3.28Å; L209-L213 VanDerWaalsContact O-CG 3.28Å; L209-L213 WeakPolarHBondContact O-CG 3.39Å; L209-L213 PolarHBondContact O-N 2.65Å; L209-V229 HydrophobicContact CD1-CB 3.74Å; L209-V229 HydrophobicContact CD1-CG1 3.94Å; L209-E232 HydrophobicContact CD2-CB 3.95Å; L209-A233 HydrophobicContact CD2-CB 3.97Å; L209-I238 HydrophobicContact CD2-CD1 4.33Å; L209-Y242 HydrophobicContact CD1-CD2 3.7Å; L209-Y242 HydrophobicContact CD1-CE2 3.67Å; L209-Y242 HydrophobicContact CD1-CG 4.33Å; L209-Y242 HydrophobicContact CG-CD2 4.06Å; L209-Y242 HydrophobicContact CG-CE2 4.49Å; L209-L269 HydrophobicContact CB-CD1 3.94Å
210	G	92.4	Very high	90.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-41.1	-179.7	0	0	0	0	0	113.2	T207 L208 Y212 L213 C214 E265	T207-G210 PolarHBondContact OG1-N 3.47Å; L208-G210 VanDerWaalsContact C-N 3.33Å; L208-G210 PolarHBondContact O-N 3.17Å; G210-Y212 VanDerWaalsContact C-N 3.33Å; G210-Y212 PolarHBondContact O-N 3.31Å; G210-L213 PolarHBondContact O-N 2.88Å; G210-C214 WeakPolarHBondContact O-CB 3.26Å; G210-C214 PolarHBondContact O-N 3.04Å; G210-C214 PolarHBondContact O-SG 2.82Å; G210-E265 VanDerWaalsContact CA-OE1 3.26Å; G210-E265 WeakPolarHBondContact CA-OE1 3.5Å
211	R	87.4	Confident	90.5	Very high	115 Å²	115	30.4 Å²	30.4	43%	0.434	19%	0.186	S	C	.	.	H	α-helix	trans	-61.5	-41.4	176.6	-170.3	177.5	-179.5	-167.4	-3.4	112.2	T207 L208 L209 A215 E333 Y509	T207-R211 PolarHBondContact O-N 2.77Å; L208-R211 PolarHBondContact O-N 3.15Å; L209-R211 VanDerWaalsContact C-N 3.33Å; L209-R211 PolarHBondContact O-N 3.33Å; R211-A215 PolarHBondContact O-N 3.38Å; R211-E333 IonicContact NH2-OE1 3.78Å; R211-Y509 HydrophobicContact CB-CE1 3.82Å; R211-Y509 HydrophobicContact CG-CE1 4.18Å; R211-Y509 PolarHBondContact N-OH 3.27Å
212	Y	89	Confident	90.2	Very high	92 Å²	92	35 Å²	35	36%	0.361	21%	0.211	S	C	.	.	H	α-helix	trans	-75.2	-37.7	179.4	-79.9	-87.2	0	0	0	113.1	L208 L209 G210 A215 G216 I238	L208-Y212 VanDerWaalsContact O-CD2 3.28Å; L208-Y212 WeakPolarHBondContact O-CD2 3.32Å; L208-Y212 PolarHBondContact O-N 3.22Å; L209-Y212 PolarHBondContact O-N 2.79Å; G210-Y212 VanDerWaalsContact C-N 3.33Å; G210-Y212 PolarHBondContact O-N 3.31Å; Y212-A215 PolarHBondContact O-N 3.17Å; Y212-G216 PolarHBondContact O-N 3.39Å; Y212-I238 HydrophobicContact CD2-CD1 3.44Å; Y212-I238 VanDerWaalsContact CD2-CD1 3.44Å; Y212-I238 HydrophobicContact CE1-CG2 4.47Å; Y212-I238 HydrophobicContact CE2-CD1 3.65Å; Y212-I238 HydrophobicContact CE2-CG2 4.15Å; Y212-I238 HydrophobicContact CG-CD1 3.94Å
213	L	90	Very high	89.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-41.7	-179.5	-74.2	166.4	0	0	0	111.4	L209 G210 A215 G216 F220 F227 E232	L209-L213 HydrophobicContact CB-CD1 4.25Å; L209-L213 WeakPolarHBondContact O-CB 3.28Å; L209-L213 VanDerWaalsContact O-CG 3.28Å; L209-L213 WeakPolarHBondContact O-CG 3.39Å; L209-L213 PolarHBondContact O-N 2.65Å; G210-L213 PolarHBondContact O-N 2.88Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 2.88Å; L213-G216 PolarHBondContact O-N 3.25Å; L213-F220 HydrophobicContact CB-CD2 3.63Å; L213-F220 HydrophobicContact CB-CE2 3.86Å; L213-F220 HydrophobicContact CD1-CD2 4.11Å; L213-F220 HydrophobicContact CD1-CE2 3.77Å; L213-F220 HydrophobicContact CG-CE2 4.47Å; L213-F227 HydrophobicContact CD1-CD1 4.25Å; L213-F227 HydrophobicContact CD1-CD2 4.19Å; L213-F227 HydrophobicContact CD1-CE1 4.37Å; L213-F227 HydrophobicContact CD1-CE2 4.31Å; L213-F227 HydrophobicContact CD1-CG 4.17Å; L213-F227 HydrophobicContact CD1-CZ 4.4Å; L213-F227 HydrophobicContact CD2-CD1 4.08Å; L213-F227 HydrophobicContact CD2-CE1 3.8Å; L213-F227 HydrophobicContact CD2-CZ 4.27Å; L213-E232 HydrophobicContact CD2-CB 4.48Å; L213-E232 HydrophobicContact CD2-CG 4.17Å; L213-E232 WeakPolarHBondContact CD2-OE2 3.46Å
214	C	86.2	Confident	89.6	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.034	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-31.8	176.4	-68.5	0	0	0	0	112.9	G210 G216 F220 Y508 Y509	G210-C214 WeakPolarHBondContact O-CB 3.26Å; G210-C214 PolarHBondContact O-N 3.04Å; G210-C214 PolarHBondContact O-SG 2.82Å; C214-G216 VanDerWaalsContact C-N 3.25Å; C214-G216 PolarHBondContact O-N 3.33Å; C214-F220 WeakPolarHBondContact SG-CD1 3.3Å; C214-F220 WeakPolarHBondContact SG-CG 3.47Å; C214-Y508 HydrophobicContact CB-CD1 4.3Å; C214-Y508 HydrophobicContact CB-CE1 4.39Å; C214-Y509 HydrophobicContact CB-CD2 4.2Å; C214-Y509 HydrophobicContact CB-CG 3.97Å; C214-Y509 WeakPolarHBondContact SG-CD2 3.35Å
215	A	81	Confident	89.4	Confident	73 Å²	73	45.4 Å²	45.4	60%	0.603	26%	0.261	S	S	*	.	H	α-helix	trans	-71.5	-19.7	174.2	0	0	0	0	0	113.2	R211 Y212 L213 A217	R211-A215 PolarHBondContact O-N 3.38Å; Y212-A215 PolarHBondContact O-N 3.17Å; L213-A215 VanDerWaalsContact C-N 3.28Å; L213-A215 PolarHBondContact O-N 2.88Å; A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 2.76Å
216	G	74.5	Confident	89.2	Confident	44 Å²	44	50.5 Å²	50.5	45%	0.454	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	13.7	-174.1	0	0	0	0	0	116	Y212 L213 C214 V218	Y212-G216 PolarHBondContact O-N 3.39Å; L213-G216 PolarHBondContact O-N 3.25Å; C214-G216 VanDerWaalsContact C-N 3.25Å; C214-G216 PolarHBondContact O-N 3.33Å; G216-V218 PolarHBondContact O-N 2.97Å
217	A	71.9	Confident	89.2	Confident	103 Å²	103	50.5 Å²	50.5	85%	0.851	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	30.7	-176.1	0	0	0	0	0	114.3	A215	A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 2.76Å
218	V	83.6	Confident	89.2	Confident	53 Å²	53	54.8 Å²	54.8	32%	0.321	31%	0.308	S	S	.	.			trans	-93.6	145	174.7	-170.2	0	0	0	0	109.1	G216 F220 F227	G216-V218 PolarHBondContact O-N 2.97Å; V218-F220 VanDerWaalsContact C-N 3.31Å; V218-F220 PolarHBondContact O-N 2.88Å; V218-F227 HydrophobicContact CG1-CE1 4.01Å; V218-F227 HydrophobicContact CG1-CZ 3.78Å
219	D	88.1	Confident	89.3	Confident	73 Å²	73	54.1 Å²	54.1	39%	0.39	30%	0.304	S	S	.	.			trans	-70	91.9	166.5	-175.3	4.6	0	0	0	109.5	N222 N223	D219-N222 VanDerWaalsContact CG-ND2 3.32Å; D219-N222 PolarHBondContact OD1-ND2 2.52Å; D219-N222 WeakPolarHBondContact OD2-CB 3.49Å; D219-N222 PolarHBondContact OD2-ND2 2.85Å; D219-N223 WeakPolarHBondContact O-CB 3.44Å; D219-N223 PolarHBondContact O-ND2 3.15Å
220	F	92	Very high	89.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.32	C	S	.	.			trans	-73.9	-59	-167.6	176.1	-116.2	0	0	0	112.6	L213 C214 V218 N222 N223 L224 F227 E265 L269 Y508 Y509	L213-F220 HydrophobicContact CB-CD2 3.63Å; L213-F220 HydrophobicContact CB-CE2 3.86Å; L213-F220 HydrophobicContact CD1-CD2 4.11Å; L213-F220 HydrophobicContact CD1-CE2 3.77Å; L213-F220 HydrophobicContact CG-CE2 4.47Å; C214-F220 WeakPolarHBondContact SG-CD1 3.3Å; C214-F220 WeakPolarHBondContact SG-CG 3.47Å; V218-F220 VanDerWaalsContact C-N 3.31Å; V218-F220 PolarHBondContact O-N 2.88Å; F220-N222 VanDerWaalsContact C-N 3.31Å; F220-N222 PolarHBondContact O-N 2.97Å; F220-N223 PolarHBondContact O-N 2.76Å; F220-N223 VanDerWaalsContact O-N 3.13Å; F220-L224 HydrophobicContact CD1-CD2 4.29Å; F220-L224 HydrophobicContact CD2-CD2 4.08Å; F220-L224 HydrophobicContact CE1-CD2 3.87Å; F220-L224 HydrophobicContact CE2-CD2 3.6Å; F220-L224 HydrophobicContact CG-CD2 4.41Å; F220-L224 HydrophobicContact CZ-CD2 3.5Å; F220-L224 PolarHBondContact O-N 2.86Å; F220-F227 AromaticContact CD2-CE2 3.88Å; F220-F227 HydrophobicContact CD2-CE2 3.88Å; F220-F227 HydrophobicContact CD2-CZ 4.36Å; F220-F227 HydrophobicContact CE2-CE2 4.41Å; F220-E265 HydrophobicContact CE1-CG 4.31Å; F220-E265 HydrophobicContact CZ-CG 3.89Å; F220-L269 HydrophobicContact CE2-CD1 3.96Å; F220-L269 HydrophobicContact CZ-CD1 3.84Å; F220-Y508 HydrophobicContact CB-CE1 4.11Å; F220-Y508 PolarHBondContact N-OH 2.86Å; F220-Y509 HydrophobicContact CE1-CD2 4.28Å; F220-Y509 HydrophobicContact CE1-CE2 4.21Å
221	Y	92.3	Very high	89.6	Confident	19 Å²	19	62.5 Å²	62.5	8%	0.075	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.3	-170.8	-69.7	-75.2	0	0	0	113.8	N223 L224 I261 Y508 L531	Y221-N223 VanDerWaalsContact C-N 3.32Å; Y221-L224 HydrophobicContact CD1-CD1 4.17Å; Y221-I261 HydrophobicContact CD1-CD1 3.88Å; Y221-I261 HydrophobicContact CD1-CG1 4.28Å; Y221-I261 HydrophobicContact CE1-CD1 3.68Å; Y221-I261 HydrophobicContact CE1-CG1 3.55Å; Y221-Y508 HydrophobicContact CD2-CE2 4.16Å; Y221-Y508 WeakPolarHBondContact CE2-O 2.9Å; Y221-Y508 PolarHBondContact OH-O 2.95Å; Y221-L531 HydrophobicContact CD1-CD2 4.1Å; Y221-L531 HydrophobicContact CD2-CD1 3.71Å; Y221-L531 HydrophobicContact CD2-CD2 3.6Å; Y221-L531 HydrophobicContact CD2-CG 4.2Å; Y221-L531 HydrophobicContact CE1-CD2 4.3Å; Y221-L531 HydrophobicContact CE2-CB 4.18Å; Y221-L531 HydrophobicContact CE2-CD1 3.82Å; Y221-L531 HydrophobicContact CE2-CD2 3.8Å; Y221-L531 HydrophobicContact CE2-CG 4.16Å; Y221-L531 HydrophobicContact CG-CD2 3.73Å
222	N	92.3	Very high	90	Very high	98 Å²	98	58.6 Å²	58.6	52%	0.524	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.4	177.6	-63.4	-36.7	0	0	0	113.1	D219 F220	D219-N222 VanDerWaalsContact CG-ND2 3.32Å; D219-N222 PolarHBondContact OD1-ND2 2.52Å; D219-N222 WeakPolarHBondContact OD2-CB 3.49Å; D219-N222 PolarHBondContact OD2-ND2 2.85Å; F220-N222 VanDerWaalsContact C-N 3.31Å; F220-N222 PolarHBondContact O-N 2.97Å
223	N	93.4	Very high	90.3	Very high	57 Å²	57	54.2 Å²	54.2	31%	0.305	31%	0.313	S	S	.	.	S	Bend	trans	-119.7	14.1	-176.2	-66.4	-70.5	0	0	0	113.7	D219 F220 Y221 E225 N226 F227	D219-N223 WeakPolarHBondContact O-CB 3.44Å; D219-N223 PolarHBondContact O-ND2 3.15Å; F220-N223 PolarHBondContact O-N 2.76Å; F220-N223 VanDerWaalsContact O-N 3.13Å; Y221-N223 VanDerWaalsContact C-N 3.32Å; N223-E225 PolarHBondContact O-N 3.36Å; N223-E225 VanDerWaalsContact O-N 3.15Å; N223-N226 PolarHBondContact O-N 3.49Å; N223-F227 HydrophobicContact CB-CE2 4.05Å; N223-F227 HydrophobicContact CB-CZ 4.16Å; N223-F227 WeakPolarHBondContact O-CD2 3.45Å; N223-F227 WeakPolarHBondContact O-CE2 3.31Å; N223-F227 PolarHBondContact O-N 3.48Å
224	L	92.6	Very high	90.6	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-51.2	-41.1	-177	-75.2	175.6	0	0	0	113.5	F220 Y221 N226 I264 H268	F220-L224 HydrophobicContact CD1-CD2 4.29Å; F220-L224 HydrophobicContact CD2-CD2 4.08Å; F220-L224 HydrophobicContact CE1-CD2 3.87Å; F220-L224 HydrophobicContact CE2-CD2 3.6Å; F220-L224 HydrophobicContact CG-CD2 4.41Å; F220-L224 HydrophobicContact CZ-CD2 3.5Å; F220-L224 PolarHBondContact O-N 2.86Å; Y221-L224 HydrophobicContact CD1-CD1 4.17Å; L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.22Å; L224-I264 HydrophobicContact CD1-CG2 3.97Å; L224-H268 HydrophobicContact CB-CB 4.08Å
225	E	92.9	Very high	91	Very high	151 Å²	151	60.9 Å²	60.9	71%	0.706	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-68.9	-25.9	-180	-69	176.4	-163.7	0	0	113.2	N223 H268	N223-E225 PolarHBondContact O-N 3.36Å; N223-E225 VanDerWaalsContact O-N 3.15Å; E225-H268 VanDerWaalsContact CG-CD2 3.43Å; E225-H268 WeakPolarHBondContact CG-CD2 3.34Å; E225-H268 WeakPolarHBondContact CG-NE2 3.49Å; E225-H268 IonicContact OE1-NE2 2.68Å
226	N	94.1	Very high	91.6	Very high	124 Å²	124	60.7 Å²	60.7	66%	0.663	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-92.6	-10.3	-169.9	-62.9	-32.3	0	0	0	113.5	N223 L224 N228	N223-N226 PolarHBondContact O-N 3.49Å; L224-N226 VanDerWaalsContact C-N 3.28Å; L224-N226 PolarHBondContact O-N 3.22Å; N226-N228 PolarHBondContact O-N 2.85Å
227	F	94.1	Very high	92.6	Very high	23 Å²	23	64.7 Å²	64.7	10%	0.101	34%	0.342	C	S	.	.			trans	-72.7	127.2	-179	-71.4	-65.5	0	0	0	112.4	L213 V218 F220 N223 V229 E232	L213-F227 HydrophobicContact CD1-CD1 4.25Å; L213-F227 HydrophobicContact CD1-CD2 4.19Å; L213-F227 HydrophobicContact CD1-CE1 4.37Å; L213-F227 HydrophobicContact CD1-CE2 4.31Å; L213-F227 HydrophobicContact CD1-CG 4.17Å; L213-F227 HydrophobicContact CD1-CZ 4.4Å; L213-F227 HydrophobicContact CD2-CD1 4.08Å; L213-F227 HydrophobicContact CD2-CE1 3.8Å; L213-F227 HydrophobicContact CD2-CZ 4.27Å; V218-F227 HydrophobicContact CG1-CE1 4.01Å; V218-F227 HydrophobicContact CG1-CZ 3.78Å; F220-F227 AromaticContact CD2-CE2 3.88Å; F220-F227 HydrophobicContact CD2-CE2 3.88Å; F220-F227 HydrophobicContact CD2-CZ 4.36Å; F220-F227 HydrophobicContact CE2-CE2 4.41Å; N223-F227 HydrophobicContact CB-CE2 4.05Å; N223-F227 HydrophobicContact CB-CZ 4.16Å; N223-F227 WeakPolarHBondContact O-CD2 3.45Å; N223-F227 WeakPolarHBondContact O-CE2 3.31Å; N223-F227 PolarHBondContact O-N 3.48Å; F227-V229 PolarHBondContact O-N 3.44Å; F227-V229 VanDerWaalsContact O-N 3.15Å; F227-E232 HydrophobicContact CD1-CG 4.1Å
228	N	96	Very high	93.7	Very high	92 Å²	92	60 Å²	60	49%	0.492	30%	0.302	S	S	.	.			trans	-80.3	92	163.9	-175.8	-32.5	0	0	0	109.2	N226 D230 K231 E232	N226-N228 PolarHBondContact O-N 2.85Å; N228-D230 VanDerWaalsContact C-N 3.27Å; N228-D230 PolarHBondContact O-N 3.26Å; N228-D230 PolarHBondContact OD1-N 2.97Å; N228-K231 HydrophobicContact CB-CB 3.98Å; N228-K231 PolarHBondContact O-N 3.41Å; N228-K231 VanDerWaalsContact O-N 3.14Å; N228-K231 PolarHBondContact OD1-N 2.89Å; N228-K231 VanDerWaalsContact OD1-N 3.1Å; N228-E232 WeakPolarHBondContact O-CG 3.37Å; N228-E232 PolarHBondContact O-N 2.72Å
229	V	96.6	Very high	94.4	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-52.5	-39.4	-175.8	-65.8	0	0	0	0	114.1	L209 F227 A233 Y242 L269	L209-V229 HydrophobicContact CD1-CB 3.74Å; L209-V229 HydrophobicContact CD1-CG1 3.94Å; F227-V229 PolarHBondContact O-N 3.44Å; F227-V229 VanDerWaalsContact O-N 3.15Å; V229-A233 VanDerWaalsContact O-CB 3.26Å; V229-A233 WeakPolarHBondContact O-CB 3.43Å; V229-A233 PolarHBondContact O-N 2.75Å; V229-Y242 HydrophobicContact CB-CE1 4.33Å; V229-Y242 HydrophobicContact CB-CE2 4.32Å; V229-Y242 VanDerWaalsContact CB-OH 3.31Å; V229-Y242 WeakPolarHBondContact CB-OH 3.41Å; V229-Y242 HydrophobicContact CG2-CE1 4.33Å; V229-Y242 WeakPolarHBondContact CG2-OH 3.38Å; V229-L269 HydrophobicContact CG1-CD2 3.96Å
230	D	96.6	Very high	94.9	Very high	63 Å²	63	60 Å²	60	34%	0.337	29%	0.293	S	S	.	.	H	α-helix	trans	-71.3	-42.4	-178.3	-58.7	-53	0	0	0	110.8	N228 G234 Y239	N228-D230 VanDerWaalsContact C-N 3.27Å; N228-D230 PolarHBondContact O-N 3.26Å; N228-D230 PolarHBondContact OD1-N 2.97Å; D230-G234 PolarHBondContact O-N 3.06Å; D230-Y239 HydrophobicContact CB-CE2 3.81Å
231	K	96.8	Very high	95.2	Very high	114 Å²	114	61.8 Å²	61.8	50%	0.496	30%	0.299	S	S	.	.	H	α-helix	trans	-63	-50.1	173.7	-177.7	-176.2	170.7	-171.8	0	111.3	N228 A233 G234 E235	N228-K231 HydrophobicContact CB-CB 3.98Å; N228-K231 PolarHBondContact O-N 3.41Å; N228-K231 VanDerWaalsContact O-N 3.14Å; N228-K231 PolarHBondContact OD1-N 2.89Å; N228-K231 VanDerWaalsContact OD1-N 3.1Å; K231-A233 VanDerWaalsContact C-N 3.29Å; K231-A233 PolarHBondContact O-N 3.32Å; K231-G234 PolarHBondContact O-N 3.04Å; K231-E235 WeakPolarHBondContact CE-OE1 3.34Å; K231-E235 HydrophobicContact CG-CG 4.33Å; K231-E235 IonicContact NZ-OE1 3.84Å; K231-E235 WeakPolarHBondContact O-CG 3.2Å; K231-E235 PolarHBondContact O-N 3.27Å
232	E	95.4	Very high	95.4	Very high	32 Å²	32	60.9 Å²	60.9	15%	0.15	30%	0.296	C	S	.	.	H	α-helix	trans	-61.1	-39	-178.3	-66.7	-60.6	149.8	0	0	111.8	L209 L213 F227 N228 R236	L209-E232 HydrophobicContact CD2-CB 3.95Å; L213-E232 HydrophobicContact CD2-CB 4.48Å; L213-E232 HydrophobicContact CD2-CG 4.17Å; L213-E232 WeakPolarHBondContact CD2-OE2 3.46Å; F227-E232 HydrophobicContact CD1-CG 4.1Å; N228-E232 WeakPolarHBondContact O-CG 3.37Å; N228-E232 PolarHBondContact O-N 2.72Å; E232-R236 PolarHBondContact O-N 2.89Å; E232-R236 PolarHBondContact O-NH1 3.37Å; E232-R236 IonicContact OE2-CZ 2.56Å; E232-R236 VanDerWaalsContact OE2-CZ 3.24Å; E232-R236 IonicContact OE2-NH1 2.9Å; E232-R236 PolarHBondContact OE2-NH1 2.65Å; E232-R236 IonicContact OE2-NH2 3.73Å; E232-R236 PolarHBondContact OE2-NH2 2.84Å
233	A	96.3	Very high	95.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-72.4	-37.6	176.7	0	0	0	0	0	112.1	L209 V229 K231 R236 Q237 I238 Y239 Y242	L209-A233 HydrophobicContact CD2-CB 3.97Å; V229-A233 VanDerWaalsContact O-CB 3.26Å; V229-A233 WeakPolarHBondContact O-CB 3.43Å; V229-A233 PolarHBondContact O-N 2.75Å; K231-A233 VanDerWaalsContact C-N 3.29Å; K231-A233 PolarHBondContact O-N 3.32Å; A233-R236 PolarHBondContact O-N 3.49Å; A233-Q237 PolarHBondContact O-N 3.44Å; A233-I238 HydrophobicContact CB-CG1 4.18Å; A233-I238 WeakPolarHBondContact O-CG1 3.47Å; A233-I238 PolarHBondContact O-N 2.89Å; A233-Y239 HydrophobicContact CB-CD2 4.14Å; A233-Y239 PolarHBondContact O-N 3.32Å; A233-Y242 HydrophobicContact CB-CD1 3.97Å; A233-Y242 HydrophobicContact CB-CG 4Å
234	G	95.8	Very high	96	Very high	26 Å²	26	54.8 Å²	54.8	27%	0.268	27%	0.265	S	S	.	.	H	α-helix	trans	-64.8	-48	176.2	0	0	0	0	0	113.2	D230 K231 R236 Q237	D230-G234 PolarHBondContact O-N 3.06Å; K231-G234 PolarHBondContact O-N 3.04Å; G234-R236 PolarHBondContact O-N 3.05Å; G234-Q237 PolarHBondContact O-N 2.82Å; G234-Q237 PolarHBondContact O-NE2 3.13Å
235	E	94.8	Very high	96.2	Very high	120 Å²	120	54.3 Å²	54.3	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-60.5	-29.3	178.6	-73.3	-179.4	168.1	0	0	112.4	K231	K231-E235 WeakPolarHBondContact CE-OE1 3.34Å; K231-E235 HydrophobicContact CG-CG 4.33Å; K231-E235 IonicContact NZ-OE1 3.84Å; K231-E235 WeakPolarHBondContact O-CG 3.2Å; K231-E235 PolarHBondContact O-N 3.27Å
236	R	93.6	Very high	96.5	Very high	68 Å²	68	50.8 Å²	50.8	26%	0.257	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.7	178.1	-69.4	170.6	-176.3	72.6	-3.5	114.2	E232 A233 G234 I238	E232-R236 PolarHBondContact O-N 2.89Å; E232-R236 PolarHBondContact O-NH1 3.37Å; E232-R236 IonicContact OE2-CZ 2.56Å; E232-R236 VanDerWaalsContact OE2-CZ 3.24Å; E232-R236 IonicContact OE2-NH1 2.9Å; E232-R236 PolarHBondContact OE2-NH1 2.65Å; E232-R236 IonicContact OE2-NH2 3.73Å; E232-R236 PolarHBondContact OE2-NH2 2.84Å; A233-R236 PolarHBondContact O-N 3.49Å; G234-R236 PolarHBondContact O-N 3.05Å; R236-I238 HydrophobicContact CB-CD1 4.18Å; R236-I238 HydrophobicContact CB-CG1 3.98Å; R236-I238 PolarHBondContact O-N 3.21Å
237	Q	95	Very high	96.7	Very high	129 Å²	129	45.9 Å²	45.9	60%	0.603	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	33.1	-179.2	-56.8	-66.8	-66.2	0	0	113.4	A233 G234 H240	A233-Q237 PolarHBondContact O-N 3.44Å; G234-Q237 PolarHBondContact O-N 2.82Å; G234-Q237 PolarHBondContact O-NE2 3.13Å; Q237-H240 PolarHBondContact O-CE1 3.15Å
238	I	96.3	Very high	96.9	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	22%	0.215	C	C	.	.			trans	-119.4	11.9	177.7	62.4	175.3	0	0	0	112.5	L209 Y212 A233 R236 H240 R241 Y242	L209-I238 HydrophobicContact CD2-CD1 4.33Å; Y212-I238 HydrophobicContact CD2-CD1 3.44Å; Y212-I238 VanDerWaalsContact CD2-CD1 3.44Å; Y212-I238 HydrophobicContact CE1-CG2 4.47Å; Y212-I238 HydrophobicContact CE2-CD1 3.65Å; Y212-I238 HydrophobicContact CE2-CG2 4.15Å; Y212-I238 HydrophobicContact CG-CD1 3.94Å; A233-I238 HydrophobicContact CB-CG1 4.18Å; A233-I238 WeakPolarHBondContact O-CG1 3.47Å; A233-I238 PolarHBondContact O-N 2.89Å; R236-I238 HydrophobicContact CB-CD1 4.18Å; R236-I238 HydrophobicContact CB-CG1 3.98Å; R236-I238 PolarHBondContact O-N 3.21Å; I238-H240 VanDerWaalsContact C-N 3.3Å; I238-H240 PolarHBondContact O-N 3.14Å; I238-R241 PolarHBondContact O-N 3.1Å; I238-Y242 PolarHBondContact O-N 3.33Å
239	Y	97.9	Very high	97	Very high	111 Å²	111	40.4 Å²	40.4	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-52.9	-45	-176	-174.8	-104.2	0	0	0	112.9	D230 A233 R241 Y242 C243	D230-Y239 HydrophobicContact CB-CE2 3.81Å; A233-Y239 HydrophobicContact CB-CD2 4.14Å; A233-Y239 PolarHBondContact O-N 3.32Å; Y239-R241 PolarHBondContact O-N 3.12Å; Y239-Y242 PolarHBondContact O-N 3.45Å; Y239-C243 PolarHBondContact O-N 3.3Å; Y239-C243 PolarHBondContact O-SG 3.28Å
240	H	97.6	Very high	97.1	Very high	15 Å²	15	44.5 Å²	44.5	7%	0.069	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-43.5	176.8	56.1	-71.1	0	0	0	112.5	G140 P142 D145 Q237 I238 C243 M244	G140-H240 WeakPolarHBondContact O-CB 3.31Å; P142-H240 VanDerWaalsContact CD-CD2 3.49Å; P142-H240 WeakPolarHBondContact CD-CD2 3.27Å; D145-H240 IonicContact OD2-CD2 3.62Å; D145-H240 IonicContact OD2-CE1 2.84Å; D145-H240 IonicContact OD2-NE2 3.68Å; D145-H240 PolarHBondContact OD2-NE2 3.31Å; Q237-H240 PolarHBondContact O-CE1 3.15Å; I238-H240 VanDerWaalsContact C-N 3.3Å; I238-H240 PolarHBondContact O-N 3.14Å; H240-C243 WeakPolarHBondContact O-CB 3.21Å; H240-C243 PolarHBondContact O-N 3.41Å; H240-M244 WeakPolarHBondContact O-CG 3.02Å; H240-M244 PolarHBondContact O-N 2.91Å
241	R	98.2	Very high	97.1	Very high	36 Å²	36	43.3 Å²	43.3	14%	0.136	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-43.6	177.1	-56.2	-179.3	179.6	-150	-18.1	111.3	D145 E147 W182 L208 I238 Y239 C243 M244 E245	D145-R241 VanDerWaalsContact CG-NH2 3.26Å; D145-R241 IonicContact OD1-CZ 3.69Å; D145-R241 IonicContact OD1-NE 3.36Å; D145-R241 IonicContact OD1-NH2 3.83Å; D145-R241 PolarHBondContact OD1-NH2 3.18Å; D145-R241 IonicContact OD2-CZ 3.69Å; D145-R241 VanDerWaalsContact OD2-CZ 3.28Å; D145-R241 IonicContact OD2-NE 3.05Å; D145-R241 PolarHBondContact OD2-NE 3Å; D145-R241 IonicContact OD2-NH2 2.67Å; D145-R241 PolarHBondContact OD2-NH2 2.88Å; E147-R241 IonicContact OE2-CZ 3.11Å; E147-R241 IonicContact OE2-NH1 2.74Å; E147-R241 PolarHBondContact OE2-NH1 3.19Å; E147-R241 IonicContact OE2-NH2 3.5Å; E147-R241 PolarHBondContact OE2-NH2 3.21Å; W182-R241 HydrophobicContact CE3-CB 4.29Å; W182-R241 HydrophobicContact CH2-CB 4.18Å; W182-R241 HydrophobicContact CH2-CG 3.75Å; W182-R241 HydrophobicContact CZ2-CB 4.49Å; W182-R241 HydrophobicContact CZ2-CG 4.33Å; W182-R241 HydrophobicContact CZ3-CB 4.08Å; W182-R241 HydrophobicContact CZ3-CG 3.93Å; L208-R241 VanDerWaalsContact CD1-C 3.49Å; L208-R241 HydrophobicContact CD1-CB 3.67Å; L208-R241 WeakPolarHBondContact CD1-O 3.26Å; I238-R241 PolarHBondContact O-N 3.1Å; Y239-R241 PolarHBondContact O-N 3.12Å; R241-C243 VanDerWaalsContact C-N 3.35Å; R241-C243 PolarHBondContact O-N 3.23Å; R241-M244 WeakPolarHBondContact O-CB 3.35Å; R241-M244 PolarHBondContact O-N 2.9Å; R241-E245 PolarHBondContact O-N 3.49Å
242	Y	98.1	Very high	97.2	Very high	1 Å²	1	38 Å²	38	0%	0.004	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-42.8	174.9	164.5	-106.2	0	0	0	111.9	L209 V229 A233 I238 Y239 M244 E245 R246 L269 L270	L209-Y242 HydrophobicContact CD1-CD2 3.7Å; L209-Y242 HydrophobicContact CD1-CE2 3.67Å; L209-Y242 HydrophobicContact CD1-CG 4.33Å; L209-Y242 HydrophobicContact CG-CD2 4.06Å; L209-Y242 HydrophobicContact CG-CE2 4.49Å; V229-Y242 HydrophobicContact CB-CE1 4.33Å; V229-Y242 HydrophobicContact CB-CE2 4.32Å; V229-Y242 VanDerWaalsContact CB-OH 3.31Å; V229-Y242 WeakPolarHBondContact CB-OH 3.41Å; V229-Y242 HydrophobicContact CG2-CE1 4.33Å; V229-Y242 WeakPolarHBondContact CG2-OH 3.38Å; A233-Y242 HydrophobicContact CB-CD1 3.97Å; A233-Y242 HydrophobicContact CB-CG 4Å; I238-Y242 PolarHBondContact O-N 3.33Å; Y239-Y242 PolarHBondContact O-N 3.45Å; Y242-M244 VanDerWaalsContact C-N 3.31Å; Y242-M244 PolarHBondContact O-N 2.47Å; Y242-E245 PolarHBondContact O-N 3.21Å; Y242-R246 HydrophobicContact CE2-CB 4.4Å; Y242-R246 WeakPolarHBondContact O-CB 3.27Å; Y242-R246 PolarHBondContact O-N 3.01Å; Y242-R246 VanDerWaalsContact OH-CD 3.27Å; Y242-R246 WeakPolarHBondContact OH-CD 3.47Å; Y242-R246 PolarHBondContact OH-NH1 2.94Å; Y242-L269 WeakPolarHBondContact CE2-O 3.37Å; Y242-L269 PolarHBondContact OH-O 2.88Å; Y242-L269 VanDerWaalsContact OH-O 3.12Å; Y242-L270 HydrophobicContact CE2-CD2 4.25Å
243	C	98.2	Very high	97.4	Very high	26 Å²	26	38.2 Å²	38.2	18%	0.176	18%	0.184	C	C	.	.	H	α-helix	trans	-60.6	-39.9	174.3	-70.8	0	0	0	0	112.1	I139 Y239 H240 R241 A247	I139-C243 HydrophobicContact CD1-CB 4.43Å; I139-C243 HydrophobicContact CG1-CB 4.22Å; I139-C243 HydrophobicContact CG2-CB 4.24Å; Y239-C243 PolarHBondContact O-N 3.3Å; Y239-C243 PolarHBondContact O-SG 3.28Å; H240-C243 WeakPolarHBondContact O-CB 3.21Å; H240-C243 PolarHBondContact O-N 3.41Å; R241-C243 VanDerWaalsContact C-N 3.35Å; R241-C243 PolarHBondContact O-N 3.23Å; C243-A247 WeakPolarHBondContact O-CB 3.2Å; C243-A247 PolarHBondContact O-N 2.87Å
244	M	98.2	Very high	97.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63	-45.9	176.1	-61.8	165.4	75.2	0	0	111.6	I139 V141 A148 A151 V152 W182 I186 H240 R241 Y242 A248	I139-M244 HydrophobicContact CG2-CG 3.89Å; V141-M244 HydrophobicContact CG2-SD 4.5Å; A148-M244 HydrophobicContact CB-SD 4.34Å; A151-M244 HydrophobicContact CB-CE 3.73Å; V152-M244 HydrophobicContact CG2-CE 4.43Å; W182-M244 HydrophobicContact CE3-CB 4.31Å; W182-M244 HydrophobicContact CE3-CE 4.11Å; W182-M244 HydrophobicContact CE3-SD 4.1Å; W182-M244 HydrophobicContact CZ3-CE 4.02Å; W182-M244 HydrophobicContact CZ3-SD 3.94Å; I186-M244 HydrophobicContact CD1-CB 4.1Å; I186-M244 HydrophobicContact CD1-CE 3.81Å; I186-M244 HydrophobicContact CD1-CG 3.83Å; I186-M244 HydrophobicContact CG1-CE 3.41Å; I186-M244 VanDerWaalsContact CG1-CE 3.41Å; I186-M244 HydrophobicContact CG1-CG 4.48Å; H240-M244 WeakPolarHBondContact O-CG 3.02Å; H240-M244 PolarHBondContact O-N 2.91Å; R241-M244 WeakPolarHBondContact O-CB 3.35Å; R241-M244 PolarHBondContact O-N 2.9Å; Y242-M244 VanDerWaalsContact C-N 3.31Å; Y242-M244 PolarHBondContact O-N 2.47Å; M244-A248 WeakPolarHBondContact O-CB 3.26Å; M244-A248 PolarHBondContact O-N 2.84Å
245	E	98.5	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-50.6	177	-174.8	178.4	-125	0	0	111.9	W182 T207 L208 R241 Y242 A247 A248 A249 L270	W182-E245 HydrophobicContact CB-CB 3.63Å; W182-E245 HydrophobicContact CB-CG 4.1Å; W182-E245 HydrophobicContact CG-CB 4.48Å; T207-E245 WeakPolarHBondContact CA-OE1 3.34Å; L208-E245 WeakPolarHBondContact CB-OE2 3.26Å; L208-E245 HydrophobicContact CD1-CB 4.05Å; L208-E245 PolarHBondContact N-OE1 2.79Å; L208-E245 PolarHBondContact N-OE2 3.39Å; L208-E245 VanDerWaalsContact N-OE2 3.15Å; R241-E245 PolarHBondContact O-N 3.49Å; Y242-E245 PolarHBondContact O-N 3.21Å; E245-A247 PolarHBondContact O-N 3.25Å; E245-A248 PolarHBondContact O-N 3.05Å; E245-A249 PolarHBondContact O-N 3.11Å; E245-L270 HydrophobicContact CB-CD2 4.47Å; E245-L270 HydrophobicContact CG-CD1 4.19Å; E245-L270 HydrophobicContact CG-CD2 3.79Å; E245-L270 WeakPolarHBondContact OE2-CD2 3.47Å
246	R	98.4	Very high	97.8	Very high	76 Å²	76	31.2 Å²	31.2	29%	0.287	15%	0.145	S	C	.	.	H	α-helix	trans	-64.5	-41.5	179.8	-177.3	170	176.2	-165.2	-0.2	111.7	Y242 A249 H250 L270	Y242-R246 HydrophobicContact CE2-CB 4.4Å; Y242-R246 WeakPolarHBondContact O-CB 3.27Å; Y242-R246 PolarHBondContact O-N 3.01Å; Y242-R246 VanDerWaalsContact OH-CD 3.27Å; Y242-R246 WeakPolarHBondContact OH-CD 3.47Å; Y242-R246 PolarHBondContact OH-NH1 2.94Å; R246-A249 PolarHBondContact O-N 3.2Å; R246-H250 PolarHBondContact O-CD2 2.98Å; R246-H250 PolarHBondContact O-N 3.13Å; R246-L270 HydrophobicContact CB-CD2 4.34Å
247	A	98.2	Very high	98	Very high	22 Å²	22	28 Å²	28	18%	0.182	13%	0.133	C	C	.	.	H	α-helix	trans	-61.3	-45.4	176	0	0	0	0	0	111.2	I139 C189 C243 E245 A249 H250 C251	I139-A247 HydrophobicContact CD1-CB 3.74Å; C189-A247 VanDerWaalsContact SG-C 3.53Å; C243-A247 WeakPolarHBondContact O-CB 3.2Å; C243-A247 PolarHBondContact O-N 2.87Å; E245-A247 PolarHBondContact O-N 3.25Å; A247-A249 VanDerWaalsContact C-N 3.34Å; A247-A249 PolarHBondContact O-N 3.2Å; A247-H250 PolarHBondContact O-N 2.99Å; A247-C251 VanDerWaalsContact O-CB 3.28Å; A247-C251 WeakPolarHBondContact O-CB 3.48Å; A247-C251 PolarHBondContact O-N 3.18Å; A247-C251 PolarHBondContact O-SG 3.36Å; A247-C251 VanDerWaalsContact O-SG 3.33Å
248	A	98.3	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-44.1	177.5	0	0	0	0	0	111.8	L188 C189 F202 M244 E245 H250 C251 A252	L188-A248 WeakPolarHBondContact CD2-O 3.44Å; C189-A248 PolarHBondContact SG-N 3.08Å; C189-A248 VanDerWaalsContact SG-N 3.44Å; F202-A248 HydrophobicContact CD1-CB 4.28Å; F202-A248 HydrophobicContact CD2-CB 3.8Å; F202-A248 HydrophobicContact CE1-CB 4.12Å; F202-A248 HydrophobicContact CE2-CB 3.62Å; F202-A248 HydrophobicContact CG-CB 4.13Å; F202-A248 HydrophobicContact CZ-CB 3.79Å; M244-A248 WeakPolarHBondContact O-CB 3.26Å; M244-A248 PolarHBondContact O-N 2.84Å; E245-A248 PolarHBondContact O-N 3.05Å; A248-H250 PolarHBondContact O-N 3.04Å; A248-C251 PolarHBondContact O-N 2.97Å; A248-A252 PolarHBondContact O-N 2.86Å
249	A	98.4	Very high	98.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-44.1	175.2	0	0	0	0	0	112.3	F202 E245 R246 A247 F255 L270 R272	F202-A249 HydrophobicContact CD1-CB 3.89Å; F202-A249 HydrophobicContact CE1-CB 4Å; E245-A249 PolarHBondContact O-N 3.11Å; R246-A249 PolarHBondContact O-N 3.2Å; A247-A249 VanDerWaalsContact C-N 3.34Å; A247-A249 PolarHBondContact O-N 3.2Å; A249-F255 HydrophobicContact CB-CD2 4.1Å; A249-F255 HydrophobicContact CB-CE1 4.44Å; A249-F255 HydrophobicContact CB-CE2 3.95Å; A249-F255 HydrophobicContact CB-CG 4.44Å; A249-F255 HydrophobicContact CB-CZ 4.14Å; A249-L270 HydrophobicContact CB-CB 4.42Å; A249-L270 HydrophobicContact CB-CD1 4.2Å; A249-R272 WeakPolarHBondContact O-CD 3.44Å; A249-R272 PolarHBondContact O-NH1 3.23Å
250	H	98.4	Very high	97.8	Very high	90 Å²	90	21 Å²	21	42%	0.417	10%	0.104	S	C	.	.	H	α-helix	trans	-75.4	-33.1	-179.6	-81.9	-99	0	0	0	113.6	R246 A247 A248 A252 L270 K271 R272	R246-H250 PolarHBondContact O-CD2 2.98Å; R246-H250 PolarHBondContact O-N 3.13Å; A247-H250 PolarHBondContact O-N 2.99Å; A248-H250 PolarHBondContact O-N 3.04Å; H250-A252 VanDerWaalsContact C-N 3.33Å; H250-A252 PolarHBondContact O-N 3.15Å; H250-L270 PolarHBondContact CD2-O 2.87Å; H250-L270 PolarHBondContact NE2-O 3Å; H250-K271 PolarHBondContact CE1-O 3.3Å; H250-K271 VanDerWaalsContact CE1-O 3.29Å; H250-K271 PolarHBondContact NE2-O 3.04Å; H250-R272 PolarHBondContact O-NH1 3.26Å
251	C	97.6	Very high	97.6	Very high	38 Å²	38	20.4 Å²	20.4	26%	0.257	10%	0.102	S	C	.	.	H	α-helix	trans	-77.2	-15.3	179.1	-70.7	0	0	0	0	113.1	L188 R192 A247 A248	L188-C251 HydrophobicContact CD2-CB 3.43Å; L188-C251 VanDerWaalsContact CD2-CB 3.43Å; R192-C251 HydrophobicContact CB-CB 4.41Å; R192-C251 WeakPolarHBondContact CD-O 3.48Å; R192-C251 HydrophobicContact CG-CB 4.16Å; R192-C251 WeakPolarHBondContact CG-O 3.13Å; R192-C251 PolarHBondContact NH1-O 3.19Å; A247-C251 VanDerWaalsContact O-CB 3.28Å; A247-C251 WeakPolarHBondContact O-CB 3.48Å; A247-C251 PolarHBondContact O-N 3.18Å; A247-C251 PolarHBondContact O-SG 3.36Å; A247-C251 VanDerWaalsContact O-SG 3.33Å; A248-C251 PolarHBondContact O-N 2.97Å
252	A	98.4	Very high	97.6	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.033	10%	0.095	C	C	.	.			trans	-68.9	144.8	-177.2	0	0	0	0	0	112.3	L188 F202 A248 H250 V254 R272	L188-A252 HydrophobicContact CD1-CB 3.89Å; L188-A252 HydrophobicContact CD2-CB 4.38Å; F202-A252 HydrophobicContact CB-CB 3.63Å; A248-A252 PolarHBondContact O-N 2.86Å; H250-A252 VanDerWaalsContact C-N 3.33Å; H250-A252 PolarHBondContact O-N 3.15Å; A252-V254 VanDerWaalsContact C-N 3.32Å; A252-V254 VanDerWaalsContact CB-O 3.28Å; A252-V254 WeakPolarHBondContact CB-O 3.25Å; A252-R272 PolarHBondContact O-NH1 3.41Å; A252-R272 PolarHBondContact O-NH2 3.2Å
253	H	98.3	Very high	97.5	Very high	35 Å²	35	19.1 Å²	19.1	16%	0.162	10%	0.098	C	C	.	.	S	Bend	trans	-65.8	-43	166.1	-64.8	95.9	0	0	0	109.8	V198 T200 R272 K615	V198-H253 PolarHBondContact O-CE1 3.06Å; T200-H253 PolarHBondContact N-ND1 2.85Å; T200-H253 WeakPolarHBondContact O-CB 3.16Å; T200-H253 PolarHBondContact O-N 3.4Å; T200-H253 PolarHBondContact OG1-N 2.98Å; T200-H253 PolarHBondContact OG1-ND1 2.92Å; H253-R272 PolarHBondContact O-NH2 3.47Å; H253-K615 HydrophobicContact CB-CB 4.23Å; H253-K615 HydrophobicContact CB-CD 4.5Å; H253-K615 WeakPolarHBondContact O-CD 3.33Å; H253-K615 PolarHBondContact O-NZ 3.06Å
254	V	98.4	Very high	97.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.2	175	179.6	0	0	0	0	109.5	T200 I201 F202 A252 T256 D275 A608 M611 A612 K615	T200-V254 PolarHBondContact O-N 3.29Å; T200-V254 VanDerWaalsContact O-N 3.16Å; I201-V254 CarbonylContact C-O 3.6Å; I201-V254 VanDerWaalsContact CA-O 3.3Å; I201-V254 WeakPolarHBondContact CA-O 3.44Å; I201-V254 HydrophobicContact CG1-CB 4.34Å; I201-V254 HydrophobicContact CG2-CB 4.35Å; I201-V254 HydrophobicContact CG2-CG1 4.4Å; F202-V254 PolarHBondContact N-O 2.72Å; A252-V254 VanDerWaalsContact C-N 3.32Å; A252-V254 VanDerWaalsContact CB-O 3.28Å; A252-V254 WeakPolarHBondContact CB-O 3.25Å; V254-T256 HydrophobicContact CG1-CG2 3.86Å; V254-D275 WeakPolarHBondContact CA-OD2 3.19Å; V254-D275 HydrophobicContact CG1-CB 4.02Å; V254-A608 HydrophobicContact CG1-CB 4.28Å; V254-M611 HydrophobicContact CG1-SD 4.05Å; V254-M611 HydrophobicContact CG2-CB 3.93Å; V254-M611 HydrophobicContact CG2-CG 3.7Å; V254-M611 HydrophobicContact CG2-SD 3.74Å; V254-A612 HydrophobicContact CB-CB 4.32Å; V254-A612 HydrophobicContact CG2-CB 3.71Å; V254-K615 HydrophobicContact CG2-CD 4.09Å
255	F	98.7	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.2	174.6	174.2	-134.1	0	0	0	109.5	F202 T204 A249 T257 A266 L270 R272 P274 D275	F202-F255 HydrophobicContact CB-CD2 4.32Å; F202-F255 AromaticContact CD1-CD2 3.62Å; F202-F255 HydrophobicContact CD1-CD2 3.62Å; F202-F255 AromaticContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CD1-CE2 3.61Å; F202-F255 HydrophobicContact CE1-CD2 4.47Å; F202-F255 HydrophobicContact CE1-CE2 4.03Å; F202-F255 HydrophobicContact CG-CD2 4.43Å; F202-F255 CarbonylContact O-C 3.57Å; F202-F255 WeakPolarHBondContact O-CA 3.47Å; F202-F255 WeakPolarHBondContact O-CD2 3.45Å; T204-F255 HydrophobicContact CG2-CE2 3.6Å; T204-F255 HydrophobicContact CG2-CZ 3.68Å; A249-F255 HydrophobicContact CB-CD2 4.1Å; A249-F255 HydrophobicContact CB-CE1 4.44Å; A249-F255 HydrophobicContact CB-CE2 3.95Å; A249-F255 HydrophobicContact CB-CG 4.44Å; A249-F255 HydrophobicContact CB-CZ 4.14Å; F255-T257 HydrophobicContact CZ-CG2 4.09Å; F255-A266 HydrophobicContact CE1-CB 3.89Å; F255-A266 HydrophobicContact CZ-CB 3.79Å; F255-L270 HydrophobicContact CE2-CD1 4.49Å; F255-L270 HydrophobicContact CZ-CD1 3.87Å; F255-R272 VanDerWaalsContact CB-NE 3.32Å; F255-R272 HydrophobicContact CD1-CB 4.21Å; F255-R272 HydrophobicContact CD1-CG 3.86Å; F255-R272 HydrophobicContact CE1-CB 4.44Å; F255-R272 WeakPolarHBondContact CE1-O 3.42Å; F255-P274 HydrophobicContact CD1-CB 4.07Å; F255-P274 HydrophobicContact CD1-CG 4.01Å; F255-P274 HydrophobicContact CE1-CB 4.2Å; F255-P274 HydrophobicContact CE1-CG 3.65Å; F255-P274 HydrophobicContact CZ-CG 4.27Å; F255-P274 CarbonylContact O-C 3.53Å; F255-P274 WeakPolarHBondContact O-CA 3.45Å; F255-D275 PolarHBondContact N-OD2 3.46Å; F255-D275 PolarHBondContact O-N 3.46Å
256	T	98.5	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.7	179.1	81.3	0	0	0	0	112.3	I201 F202 T203 T204 V254 I276 T278 A608	I201-T256 HydrophobicContact CG2-CG2 4.24Å; F202-T256 PolarHBondContact O-N 3.07Å; T203-T256 WeakPolarHBondContact CA-O 3.31Å; T203-T256 WeakPolarHBondContact CB-OG1 3.37Å; T203-T256 WeakPolarHBondContact CG2-OG1 3.46Å; T203-T256 PolarHBondContact OG1-OG1 3.03Å; T204-T256 PolarHBondContact N-O 3.09Å; T204-T256 VanDerWaalsContact N-O 3.12Å; V254-T256 HydrophobicContact CG1-CG2 3.86Å; T256-I276 WeakPolarHBondContact CA-O 3.38Å; T256-I276 WeakPolarHBondContact CB-O 3.29Å; T256-I276 HydrophobicContact CG2-CB 4.15Å; T256-T278 HydrophobicContact CG2-CG2 4.13Å; T256-T278 PolarHBondContact OG1-OG1 3.05Å; T256-A608 HydrophobicContact CG2-CB 4.03Å
257	T	98.3	Very high	97.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	162	169.8	55.5	0	0	0	0	109.6	T204 F255 S259 T262 A263 A266 P274 I276 V277 T278	T204-T257 HydrophobicContact CG2-CG2 3.63Å; T204-T257 WeakPolarHBondContact O-CA 3.33Å; F255-T257 HydrophobicContact CZ-CG2 4.09Å; T257-S259 VanDerWaalsContact C-N 3.35Å; T257-S259 PolarHBondContact OG1-O 2.96Å; T257-S259 VanDerWaalsContact OG1-O 3.07Å; T257-T262 HydrophobicContact CG2-CG2 4.01Å; T257-A263 WeakPolarHBondContact OG1-CB 3.44Å; T257-A263 PolarHBondContact OG1-N 3.07Å; T257-A266 HydrophobicContact CG2-CB 3.96Å; T257-P274 HydrophobicContact CG2-CB 4.17Å; T257-P274 HydrophobicContact CG2-CG 3.42Å; T257-P274 VanDerWaalsContact CG2-CG 3.42Å; T257-I276 PolarHBondContact N-O 2.88Å; T257-V277 CarbonylContact O-C 3.59Å; T257-V277 WeakPolarHBondContact O-CA 3.42Å; T257-T278 PolarHBondContact O-N 2.72Å; T257-T278 PolarHBondContact O-OG1 3.42Å
258	V	96.9	Very high	97.1	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	10%	0.103	C	C	.	.	S	Bend	trans	-83.7	-8.7	-178.8	-62.8	0	0	0	0	114.8	T203 H205 T278 P279 P511 W512	T203-V258 HydrophobicContact CG2-CG1 4.17Å; H205-V258 HydrophobicContact CB-CG1 4.41Å; H205-V258 WeakPolarHBondContact ND1-CG1 3.42Å; H205-V258 WeakPolarHBondContact O-CG2 3.41Å; V258-T278 WeakPolarHBondContact CA-O 3.44Å; V258-P279 WeakPolarHBondContact O-CA 3.39Å; V258-P511 HydrophobicContact CG2-CB 4.34Å; V258-W512 HydrophobicContact CG2-CB 4.3Å
259	S	95.9	Very high	97.1	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.021	10%	0.103	C	C	.	.	S	Bend	trans	-154.5	164.9	176.3	70.5	0	0	0	0	112.2	T257 I261 T262 A263 P511	T257-S259 VanDerWaalsContact C-N 3.35Å; T257-S259 PolarHBondContact OG1-O 2.96Å; T257-S259 VanDerWaalsContact OG1-O 3.07Å; S259-I261 WeakPolarHBondContact OG-CG2 3.37Å; S259-T262 PolarHBondContact O-N 3.2Å; S259-T262 WeakPolarHBondContact OG-CB 3.31Å; S259-T262 PolarHBondContact OG-N 3.34Å; S259-T262 PolarHBondContact OG-OG1 3.17Å; S259-A263 PolarHBondContact O-N 3.35Å; S259-P511 WeakPolarHBondContact CB-O 3.28Å; S259-P511 PolarHBondContact OG-O 3.12Å
260	Q	92.6	Very high	97	Very high	95 Å²	95	20.6 Å²	20.6	44%	0.444	10%	0.103	S	C	.	.	H	α-helix	trans	-67.4	-35.5	176.4	-170.9	61.2	10.4	0	0	112.5	A263 I264	Q260-A263 WeakPolarHBondContact O-CB 3.4Å; Q260-A263 PolarHBondContact O-N 3.04Å; Q260-I264 WeakPolarHBondContact O-CG1 3.5Å; Q260-I264 PolarHBondContact O-N 2.69Å
261	I	94.1	Very high	97	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.101	C	C	.	.	H	α-helix	trans	-67.3	-41.1	177.5	-168.6	63.6	0	0	0	110.9	Y221 S259 A263 I264 E265 L531	Y221-I261 HydrophobicContact CD1-CD1 3.88Å; Y221-I261 HydrophobicContact CD1-CG1 4.28Å; Y221-I261 HydrophobicContact CE1-CD1 3.68Å; Y221-I261 HydrophobicContact CE1-CG1 3.55Å; S259-I261 WeakPolarHBondContact OG-CG2 3.37Å; I261-A263 VanDerWaalsContact C-N 3.27Å; I261-A263 PolarHBondContact O-N 3.18Å; I261-I264 PolarHBondContact O-N 2.97Å; I261-E265 PolarHBondContact O-N 3.02Å; I261-E265 VanDerWaalsContact O-N 3.07Å; I261-L531 HydrophobicContact CD1-CD2 4.07Å
262	T	96.7	Very high	97	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-68.3	-27.5	172.7	-55.2	0	0	0	0	111.8	T257 S259 E265 A266 P511	T257-T262 HydrophobicContact CG2-CG2 4.01Å; S259-T262 PolarHBondContact O-N 3.2Å; S259-T262 WeakPolarHBondContact OG-CB 3.31Å; S259-T262 PolarHBondContact OG-N 3.34Å; S259-T262 PolarHBondContact OG-OG1 3.17Å; T262-E265 WeakPolarHBondContact O-CB 2.9Å; T262-E265 PolarHBondContact O-N 2.64Å; T262-A266 VanDerWaalsContact O-CB 3.3Å; T262-A266 WeakPolarHBondContact O-CB 3.35Å; T262-A266 PolarHBondContact O-N 2.93Å; T262-P511 WeakPolarHBondContact OG1-CA 3.25Å
263	A	96.7	Very high	97	Very high	8 Å²	8	27.6 Å²	27.6	7%	0.066	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-44.1	173.3	0	0	0	0	0	112.4	T257 S259 Q260 I261 E265 A266 Q267 P274 V277	T257-A263 WeakPolarHBondContact OG1-CB 3.44Å; T257-A263 PolarHBondContact OG1-N 3.07Å; S259-A263 PolarHBondContact O-N 3.35Å; Q260-A263 WeakPolarHBondContact O-CB 3.4Å; Q260-A263 PolarHBondContact O-N 3.04Å; I261-A263 VanDerWaalsContact C-N 3.27Å; I261-A263 PolarHBondContact O-N 3.18Å; A263-E265 VanDerWaalsContact C-N 3.31Å; A263-A266 PolarHBondContact O-N 3.12Å; A263-Q267 WeakPolarHBondContact O-CB 3.35Å; A263-Q267 PolarHBondContact O-N 2.92Å; A263-P274 HydrophobicContact CB-CG 3.79Å; A263-V277 HydrophobicContact CB-CG2 4.2Å
264	I	95.5	Very high	96.9	Very high	35 Å²	35	26.6 Å²	26.6	18%	0.179	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-44.4	174.7	-65.2	166.2	0	0	0	109.9	L224 Q260 I261 Q267 H268	L224-I264 HydrophobicContact CD1-CG2 3.97Å; Q260-I264 WeakPolarHBondContact O-CG1 3.5Å; Q260-I264 PolarHBondContact O-N 2.69Å; I261-I264 PolarHBondContact O-N 2.97Å; I264-Q267 PolarHBondContact O-N 3.16Å; I264-H268 PolarHBondContact O-N 3.4Å; I264-H268 PolarHBondContact O-ND1 2.9Å
265	E	95.4	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-51.4	176.1	-179.8	-173.1	164.5	0	0	112.1	T207 G210 F220 I261 T262 A263 Q267 H268 L269 Y509	T207-E265 VanDerWaalsContact CB-OE1 3.27Å; T207-E265 WeakPolarHBondContact CB-OE1 3.45Å; T207-E265 HydrophobicContact CG2-CG 3.77Å; T207-E265 WeakPolarHBondContact CG2-OE1 3.4Å; T207-E265 PolarHBondContact OG1-OE1 2.9Å; G210-E265 VanDerWaalsContact CA-OE1 3.26Å; G210-E265 WeakPolarHBondContact CA-OE1 3.5Å; F220-E265 HydrophobicContact CE1-CG 4.31Å; F220-E265 HydrophobicContact CZ-CG 3.89Å; I261-E265 PolarHBondContact O-N 3.02Å; I261-E265 VanDerWaalsContact O-N 3.07Å; T262-E265 WeakPolarHBondContact O-CB 2.9Å; T262-E265 PolarHBondContact O-N 2.64Å; A263-E265 VanDerWaalsContact C-N 3.31Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.73Å; E265-H268 PolarHBondContact O-N 2.89Å; E265-L269 HydrophobicContact CG-CD1 3.6Å; E265-L269 HydrophobicContact CG-CG 4.22Å; E265-L269 WeakPolarHBondContact O-CB 3.48Å; E265-L269 PolarHBondContact O-N 3.45Å; E265-Y509 PolarHBondContact OE1-OH 3.2Å
266	A	97.5	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.4	-37	-179.9	0	0	0	0	0	112.7	T207 F255 T257 T262 A263 H268 L270 K271 R272 P274	T207-A266 HydrophobicContact CG2-CB 4.34Å; F255-A266 HydrophobicContact CE1-CB 3.89Å; F255-A266 HydrophobicContact CZ-CB 3.79Å; T257-A266 HydrophobicContact CG2-CB 3.96Å; T262-A266 VanDerWaalsContact O-CB 3.3Å; T262-A266 WeakPolarHBondContact O-CB 3.35Å; T262-A266 PolarHBondContact O-N 2.93Å; A263-A266 PolarHBondContact O-N 3.12Å; A266-H268 PolarHBondContact O-N 3.44Å; A266-L270 HydrophobicContact CB-CD1 4.13Å; A266-L270 HydrophobicContact CB-CG 4.45Å; A266-L270 CarbonylContact O-C 3.54Å; A266-L270 VanDerWaalsContact O-CA 3.3Å; A266-L270 WeakPolarHBondContact O-CA 3.38Å; A266-L270 VanDerWaalsContact O-CB 3.29Å; A266-L270 WeakPolarHBondContact O-CB 3.25Å; A266-L270 PolarHBondContact O-N 3.42Å; A266-K271 PolarHBondContact O-N 3.47Å; A266-R272 CarbonylContact C-O 3.57Å; A266-P274 HydrophobicContact CB-CG 4.27Å
267	Q	97.5	Very high	96.3	Very high	88 Å²	88	32.2 Å²	32.2	41%	0.411	15%	0.153	S	C	.	.	H	α-helix	trans	-56.1	-41.1	173.9	178.4	178	-27.4	0	0	111.7	A263 I264 E265 K271 R272 K273	A263-Q267 WeakPolarHBondContact O-CB 3.35Å; A263-Q267 PolarHBondContact O-N 2.92Å; I264-Q267 PolarHBondContact O-N 3.16Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.73Å; Q267-K271 VanDerWaalsContact O-CA 3.27Å; Q267-K271 WeakPolarHBondContact O-CA 3.48Å; Q267-K271 PolarHBondContact O-N 2.97Å; Q267-R272 WeakPolarHBondContact CA-O 3.18Å; Q267-K273 HydrophobicContact CG-CB 4.39Å
268	H	97.1	Very high	96.1	Very high	33 Å²	33	32.2 Å²	32.2	15%	0.153	15%	0.153	C	C	.	.	H	α-helix	trans	-87.7	-38.7	-177.8	-64.7	92.9	0	0	0	113.3	L224 E225 I264 E265 A266 K271	L224-H268 HydrophobicContact CB-CB 4.08Å; E225-H268 VanDerWaalsContact CG-CD2 3.43Å; E225-H268 WeakPolarHBondContact CG-CD2 3.34Å; E225-H268 WeakPolarHBondContact CG-NE2 3.49Å; E225-H268 IonicContact OE1-NE2 2.68Å; I264-H268 PolarHBondContact O-N 3.4Å; I264-H268 PolarHBondContact O-ND1 2.9Å; E265-H268 PolarHBondContact O-N 2.89Å; A266-H268 PolarHBondContact O-N 3.44Å; H268-K271 WeakPolarHBondContact O-CD 3.07Å; H268-K271 WeakPolarHBondContact O-CE 3.41Å; H268-K271 PolarHBondContact O-NZ 2.98Å
269	L	97.3	Very high	96	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-88.9	-42.3	-174.9	-60.1	-175.4	0	0	0	112.1	T207 L209 F220 V229 Y242 E265	T207-L269 WeakPolarHBondContact OG1-CD1 3.26Å; L209-L269 HydrophobicContact CB-CD1 3.94Å; F220-L269 HydrophobicContact CE2-CD1 3.96Å; F220-L269 HydrophobicContact CZ-CD1 3.84Å; V229-L269 HydrophobicContact CG1-CD2 3.96Å; Y242-L269 WeakPolarHBondContact CE2-O 3.37Å; Y242-L269 PolarHBondContact OH-O 2.88Å; Y242-L269 VanDerWaalsContact OH-O 3.12Å; E265-L269 HydrophobicContact CG-CD1 3.6Å; E265-L269 HydrophobicContact CG-CG 4.22Å; E265-L269 WeakPolarHBondContact O-CB 3.48Å; E265-L269 PolarHBondContact O-N 3.45Å
270	L	98	Very high	96	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.1	178.4	-54.1	-179	0	0	0	112.8	T204 T207 Y242 E245 R246 A249 H250 F255 A266 R272	T204-L270 HydrophobicContact CG2-CD1 4.25Å; T207-L270 HydrophobicContact CG2-CD1 4.18Å; T207-L270 HydrophobicContact CG2-CG 4.27Å; Y242-L270 HydrophobicContact CE2-CD2 4.25Å; E245-L270 HydrophobicContact CB-CD2 4.47Å; E245-L270 HydrophobicContact CG-CD1 4.19Å; E245-L270 HydrophobicContact CG-CD2 3.79Å; E245-L270 WeakPolarHBondContact OE2-CD2 3.47Å; R246-L270 HydrophobicContact CB-CD2 4.34Å; A249-L270 HydrophobicContact CB-CB 4.42Å; A249-L270 HydrophobicContact CB-CD1 4.2Å; H250-L270 PolarHBondContact CD2-O 2.87Å; H250-L270 PolarHBondContact NE2-O 3Å; F255-L270 HydrophobicContact CE2-CD1 4.49Å; F255-L270 HydrophobicContact CZ-CD1 3.87Å; A266-L270 HydrophobicContact CB-CD1 4.13Å; A266-L270 HydrophobicContact CB-CG 4.45Å; A266-L270 CarbonylContact O-C 3.54Å; A266-L270 VanDerWaalsContact O-CA 3.3Å; A266-L270 WeakPolarHBondContact O-CA 3.38Å; A266-L270 VanDerWaalsContact O-CB 3.29Å; A266-L270 WeakPolarHBondContact O-CB 3.25Å; A266-L270 PolarHBondContact O-N 3.42Å; L270-R272 PolarHBondContact O-N 2.87Å
271	K	97.6	Very high	95.9	Very high	87 Å²	87	27.8 Å²	27.8	38%	0.378	13%	0.133	S	C	.	.	S	Bend	trans	59.4	28.3	177.6	-47.4	-60.7	179.8	-173.2	0	113.1	H250 A266 Q267 H268	H250-K271 PolarHBondContact CE1-O 3.3Å; H250-K271 VanDerWaalsContact CE1-O 3.29Å; H250-K271 PolarHBondContact NE2-O 3.04Å; A266-K271 PolarHBondContact O-N 3.47Å; Q267-K271 VanDerWaalsContact O-CA 3.27Å; Q267-K271 WeakPolarHBondContact O-CA 3.48Å; Q267-K271 PolarHBondContact O-N 2.97Å; H268-K271 WeakPolarHBondContact O-CD 3.07Å; H268-K271 WeakPolarHBondContact O-CE 3.41Å; H268-K271 PolarHBondContact O-NZ 2.98Å
272	R	97.6	Very high	95.6	Very high	45 Å²	45	28.5 Å²	28.5	17%	0.17	14%	0.136	C	C	.	.			trans	-141.5	125.9	172.7	-177	-178.6	171	162	-2	108.5	A249 H250 A252 H253 F255 A266 Q267 L270 D275	A249-R272 WeakPolarHBondContact O-CD 3.44Å; A249-R272 PolarHBondContact O-NH1 3.23Å; H250-R272 PolarHBondContact O-NH1 3.26Å; A252-R272 PolarHBondContact O-NH1 3.41Å; A252-R272 PolarHBondContact O-NH2 3.2Å; H253-R272 PolarHBondContact O-NH2 3.47Å; F255-R272 VanDerWaalsContact CB-NE 3.32Å; F255-R272 HydrophobicContact CD1-CB 4.21Å; F255-R272 HydrophobicContact CD1-CG 3.86Å; F255-R272 HydrophobicContact CE1-CB 4.44Å; F255-R272 WeakPolarHBondContact CE1-O 3.42Å; A266-R272 CarbonylContact C-O 3.57Å; Q267-R272 WeakPolarHBondContact CA-O 3.18Å; L270-R272 PolarHBondContact O-N 2.87Å; R272-D275 IonicContact CZ-OD2 2.81Å; R272-D275 IonicContact NH2-OD2 3.25Å; R272-D275 PolarHBondContact NH2-OD2 3.36Å
273	K	97.4	Very high	95	Very high	146 Å²	146	30.6 Å²	30.6	64%	0.635	15%	0.148	S	C	*	.			trans	-71.1	131	170.4	-175.3	-179.6	174.4	-176.5	0	108.7	Q267	Q267-K273 HydrophobicContact CG-CB 4.39Å
274	P	97.4	Very high	94.3	Very high	14 Å²	14	31 Å²	31	9%	0.091	15%	0.15	C	C	.	.			trans	-60.3	143.9	172.8	-21.8	33.1	0	0	0	111.8	F255 T257 A263 A266	F255-P274 HydrophobicContact CD1-CB 4.07Å; F255-P274 HydrophobicContact CD1-CG 4.01Å; F255-P274 HydrophobicContact CE1-CB 4.2Å; F255-P274 HydrophobicContact CE1-CG 3.65Å; F255-P274 HydrophobicContact CZ-CG 4.27Å; F255-P274 CarbonylContact O-C 3.53Å; F255-P274 WeakPolarHBondContact O-CA 3.45Å; T257-P274 HydrophobicContact CG2-CB 4.17Å; T257-P274 HydrophobicContact CG2-CG 3.42Å; T257-P274 VanDerWaalsContact CG2-CG 3.42Å; A263-P274 HydrophobicContact CB-CG 3.79Å; A266-P274 HydrophobicContact CB-CG 4.27Å
275	D	94.9	Very high	93.1	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.342	18%	0.177	S	C	.	.	S	Bend	trans	-73.5	-40.6	175.6	-64.2	-84.6	0	0	0	110.9	V254 F255 R272 M611 K615	V254-D275 WeakPolarHBondContact CA-OD2 3.19Å; V254-D275 HydrophobicContact CG1-CB 4.02Å; F255-D275 PolarHBondContact N-OD2 3.46Å; F255-D275 PolarHBondContact O-N 3.46Å; R272-D275 IonicContact CZ-OD2 2.81Å; R272-D275 IonicContact NH2-OD2 3.25Å; R272-D275 PolarHBondContact NH2-OD2 3.36Å; D275-M611 HydrophobicContact CB-CE 4.42Å; D275-M611 HydrophobicContact CB-SD 3.77Å; D275-K615 IonicContact OD1-NZ 3.48Å; D275-K615 PolarHBondContact OD1-NZ 3.35Å; D275-K615 IonicContact OD2-NZ 3.27Å
276	I	92.9	Very high	91.4	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.108	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.8	-178.2	-61.1	-176.2	0	0	0	109.6	T256 T257 T278 A608 M611	T256-I276 WeakPolarHBondContact CA-O 3.38Å; T256-I276 WeakPolarHBondContact CB-O 3.29Å; T256-I276 HydrophobicContact CG2-CB 4.15Å; T257-I276 PolarHBondContact N-O 2.88Å; I276-T278 HydrophobicContact CG2-CG2 4.21Å; I276-A608 HydrophobicContact CD1-CB 4.16Å; I276-M611 HydrophobicContact CD1-CE 3.71Å; I276-M611 HydrophobicContact CD1-SD 4.39Å; I276-M611 HydrophobicContact CG1-CE 3.8Å; I276-M611 HydrophobicContact CG1-SD 4.48Å
277	V	94.7	Very high	89.4	Confident	33 Å²	33	45.9 Å²	45.9	20%	0.2	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.3	164.8	176.1	0	0	0	0	108.7	T257 A263 P279 Y604	T257-V277 CarbonylContact O-C 3.59Å; T257-V277 WeakPolarHBondContact O-CA 3.42Å; A263-V277 HydrophobicContact CB-CG2 4.2Å; V277-P279 HydrophobicContact CG1-CG 4.27Å; V277-P279 WeakPolarHBondContact O-CD 3.37Å; V277-Y604 VanDerWaalsContact O-CD1 3.24Å; V277-Y604 WeakPolarHBondContact O-CD1 3.49Å
278	T	95.4	Very high	86.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.			trans	-116.2	82.1	-179.9	51.1	0	0	0	0	110	T256 T257 V258 I276 Y605	T256-T278 HydrophobicContact CG2-CG2 4.13Å; T256-T278 PolarHBondContact OG1-OG1 3.05Å; T257-T278 PolarHBondContact O-N 2.72Å; T257-T278 PolarHBondContact O-OG1 3.42Å; V258-T278 WeakPolarHBondContact CA-O 3.44Å; I276-T278 HydrophobicContact CG2-CG2 4.21Å; T278-Y605 HydrophobicContact CG2-CD2 4.24Å; T278-Y605 HydrophobicContact CG2-CE2 4.32Å
279	P	94.5	Very high	84.7	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.032	24%	0.244	C	C	.	.			trans	-58.1	148.5	-178.7	-19.4	31.4	0	0	0	112	V258 V277 W512 F537 L601 Y604	V258-P279 WeakPolarHBondContact O-CA 3.39Å; V277-P279 HydrophobicContact CG1-CG 4.27Å; V277-P279 WeakPolarHBondContact O-CD 3.37Å; P279-W512 HydrophobicContact CB-CH2 3.57Å; P279-W512 HydrophobicContact CB-CZ2 4.38Å; P279-W512 HydrophobicContact CB-CZ3 3.67Å; P279-F537 HydrophobicContact CB-CD2 4.23Å; P279-F537 HydrophobicContact CB-CE2 4.38Å; P279-F537 HydrophobicContact CG-CD2 4.03Å; P279-F537 HydrophobicContact CG-CE2 4.14Å; P279-L601 HydrophobicContact CB-CD1 4.3Å; P279-L601 HydrophobicContact CB-CD2 4.05Å; P279-L601 HydrophobicContact CG-CD2 4.29Å; P279-Y604 HydrophobicContact CG-CD2 4.31Å; P279-Y604 HydrophobicContact CG-CE2 4.28Å
280	N	94.3	Very high	83	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.011	27%	0.265	C	S	.	.			trans	-86.9	119.8	-179	-62.1	-52.1	0	0	0	111	V46 W512 Y514	V46-N280 HydrophobicContact CG2-CB 4.32Å; V46-N280 WeakPolarHBondContact CG2-OD1 3.45Å; N280-W512 HydrophobicContact CB-CD2 4.08Å; N280-W512 HydrophobicContact CB-CG 3.95Å; N280-W512 WeakPolarHBondContact ND2-CB 3.25Å; N280-W512 VanDerWaalsContact O-CE2 3.22Å; N280-W512 WeakPolarHBondContact O-CZ2 3.48Å; N280-W512 PolarHBondContact O-NE1 3.27Å; N280-Y514 HydrophobicContact CB-CE1 3.8Å; N280-Y514 PolarHBondContact ND2-OH 3.42Å
281	G	91.4	Very high	81.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.			trans	-87.8	178.6	172.8	0	0	0	0	0	114.5	L596 W598	G281-L596 CarbonylContact C-O 3.54Å; G281-L596 WeakPolarHBondContact CA-O 3.31Å; G281-W598 VanDerWaalsContact O-CE2 3.26Å; G281-W598 WeakPolarHBondContact O-CZ2 3.46Å; G281-W598 PolarHBondContact O-NE1 3.45Å
282	L	88.5	Confident	81.1	Confident	16 Å²	16	57.5 Å²	57.5	8%	0.084	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-132.8	159.8	174	-66.3	171.1	0	0	0	109.3	V284 Y514 A517 E518 V521 L596 D597 W598	L282-V284 PolarHBondContact O-N 2.83Å; L282-Y514 HydrophobicContact CD2-CD1 4.34Å; L282-A517 HydrophobicContact CD1-CB 3.98Å; L282-E518 HydrophobicContact CD1-CG 4.03Å; L282-V521 HydrophobicContact CD1-CG2 4Å; L282-L596 PolarHBondContact N-O 2.75Å; L282-D597 WeakPolarHBondContact O-CA 3.11Å; L282-W598 PolarHBondContact O-N 3.2Å; L282-W598 VanDerWaalsContact O-N 3.15Å
283	N	83.9	Confident	80.4	Confident	45 Å²	45	55.8 Å²	55.8	24%	0.241	28%	0.284	C	S	.	.			trans	-84.5	105.2	169.6	-70.8	-11.6	0	0	0	108.7	T49 E109 K285	T49-N283 PolarHBondContact O-ND2 2.89Å; T49-N283 VanDerWaalsContact O-ND2 3.08Å; T49-N283 PolarHBondContact O-OD1 3.05Å; E109-N283 PolarHBondContact OE2-ND2 3.4Å; N283-K285 PolarHBondContact O-N 2.9Å
284	V	80.6	Confident	79.9	Confident	18 Å²	18	50 Å²	50	11%	0.109	26%	0.259	C	S	.	.			trans	-83.6	107.3	179.4	-177.7	0	0	0	0	109	L282 K286 V521 D597	L282-V284 PolarHBondContact O-N 2.83Å; V284-K286 PolarHBondContact O-N 3.46Å; V284-K286 VanDerWaalsContact O-N 3.16Å; V284-V521 HydrophobicContact CG1-CG1 4.24Å; V284-V521 HydrophobicContact CG2-CG1 4.15Å; V284-V521 HydrophobicContact CG2-CG2 3.92Å; V284-D597 HydrophobicContact CB-CB 4.32Å; V284-D597 VanDerWaalsContact CB-OD2 3.24Å; V284-D597 WeakPolarHBondContact CB-OD2 3.46Å; V284-D597 HydrophobicContact CG2-CB 3.86Å; V284-D597 WeakPolarHBondContact CG2-OD2 3.29Å; V284-D597 PolarHBondContact N-OD2 3.2Å
285	K	70.2	Confident	79.6	Confident	172 Å²	172	53.5 Å²	53.5	75%	0.748	28%	0.277	S	S	*	.			trans	-75.1	103	170.5	-68.7	-177.7	-178.7	175.4	0	108.8	N283 F287	N283-K285 PolarHBondContact O-N 2.9Å; K285-F287 PolarHBondContact O-N 3.31Å
286	K	60.2	Low	79.4	Confident	103 Å²	103	52.5 Å²	52.5	45%	0.448	27%	0.271	S	S	.	.			trans	-70.9	125.2	172.9	-63.3	-164.8	177.2	-160.7	0	109.9	V284 D594	V284-K286 PolarHBondContact O-N 3.46Å; V284-K286 VanDerWaalsContact O-N 3.16Å; K286-D594 WeakPolarHBondContact CE-OD1 3.23Å; K286-D594 IonicContact NZ-OD1 2.82Å; K286-D594 PolarHBondContact NZ-OD1 2.91Å; K286-D594 IonicContact NZ-OD2 3.28Å; K286-D594 PolarHBondContact NZ-OD2 3.11Å
287	F	55.9	Low	79.5	Confident	71 Å²	71	52 Å²	52	31%	0.311	27%	0.269	S	S	.	.			trans	-73.3	144.3	169.8	-65.2	-79.4	0	0	0	109.7	K285 A289 E292 F293 L296	K285-F287 PolarHBondContact O-N 3.31Å; F287-A289 PolarHBondContact O-N 2.84Å; F287-E292 HydrophobicContact CB-CB 4.17Å; F287-E292 HydrophobicContact CD1-CB 4.34Å; F287-E292 VanDerWaalsContact CD1-CD 3.42Å; F287-E292 HydrophobicContact CD1-CG 4.03Å; F287-E292 VanDerWaalsContact CD1-OE2 3.3Å; F287-E292 WeakPolarHBondContact CD1-OE2 3.43Å; F287-E292 HydrophobicContact CE1-CG 4.5Å; F287-E292 HydrophobicContact CG-CB 4.25Å; F287-E292 HydrophobicContact CG-CG 4.44Å; F287-F293 HydrophobicContact CE2-CB 4.41Å; F287-L296 HydrophobicContact CE1-CD1 4.03Å; F287-L296 HydrophobicContact CZ-CD1 3.78Å
288	S	45.9	Very low	79.5	Confident	137 Å²	137	53.2 Å²	53.2	96%	0.958	28%	0.282	S	S	*	.	S	Bend	trans	-63.4	-21.3	176.6	-59.2	0	0	0	0	112.5
289	A	50.5	Low	79.5	Confident	31 Å²	31	59 Å²	59	26%	0.256	31%	0.309	S	S	.	.	S	Bend	trans	-127.2	121.5	176	0	0	0	0	0	110.9	F287 H291 E292	F287-A289 PolarHBondContact O-N 2.84Å; A289-H291 PolarHBondContact O-N 2.8Å; A289-H291 VanDerWaalsContact O-N 3.13Å; A289-E292 VanDerWaalsContact O-CB 3.25Å; A289-E292 WeakPolarHBondContact O-CB 3.42Å; A289-E292 PolarHBondContact O-N 3.08Å
290	M	60.8	Low	79.6	Confident	89 Å²	89	59 Å²	59	44%	0.438	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.9	-177.9	-74.9	-156.4	-178.7	0	0	114	E292 F293	M290-E292 VanDerWaalsContact C-N 3.29Å; M290-E292 PolarHBondContact O-N 3.34Å; M290-F293 WeakPolarHBondContact O-CD1 3.08Å; M290-F293 WeakPolarHBondContact O-CE1 3.45Å
291	H	73.7	Confident	79.7	Confident	116 Å²	116	60.1 Å²	60.1	54%	0.537	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4.8	179.1	59.9	-91.1	0	0	0	113.9	A289 F293 Q294 N295	A289-H291 PolarHBondContact O-N 2.8Å; A289-H291 VanDerWaalsContact O-N 3.13Å; H291-F293 PolarHBondContact O-N 3.01Å; H291-Q294 WeakPolarHBondContact O-CB 3.49Å; H291-Q294 PolarHBondContact O-N 3.32Å; H291-N295 PolarHBondContact O-N 3.16Å
292	E	82.2	Confident	80	Confident	80 Å²	80	62.2 Å²	62.2	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-64.1	-39.7	-177	-171.1	173.1	177	0	0	112	F287 A289 M290 Q294 N295 L296	F287-E292 HydrophobicContact CB-CB 4.17Å; F287-E292 HydrophobicContact CD1-CB 4.34Å; F287-E292 VanDerWaalsContact CD1-CD 3.42Å; F287-E292 HydrophobicContact CD1-CG 4.03Å; F287-E292 VanDerWaalsContact CD1-OE2 3.3Å; F287-E292 WeakPolarHBondContact CD1-OE2 3.43Å; F287-E292 HydrophobicContact CE1-CG 4.5Å; F287-E292 HydrophobicContact CG-CB 4.25Å; F287-E292 HydrophobicContact CG-CG 4.44Å; A289-E292 VanDerWaalsContact O-CB 3.25Å; A289-E292 WeakPolarHBondContact O-CB 3.42Å; A289-E292 PolarHBondContact O-N 3.08Å; M290-E292 VanDerWaalsContact C-N 3.29Å; M290-E292 PolarHBondContact O-N 3.34Å; E292-Q294 PolarHBondContact O-N 3.3Å; E292-N295 WeakPolarHBondContact O-CB 3.5Å; E292-N295 PolarHBondContact O-N 3.39Å; E292-N295 VanDerWaalsContact O-N 3.12Å; E292-L296 WeakPolarHBondContact O-CG 3.18Å; E292-L296 PolarHBondContact O-N 3.01Å
293	F	83.3	Confident	80.3	Confident	9 Å²	9	67.6 Å²	67.6	4%	0.039	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-28.9	178.6	84	-88.9	0	0	0	112.5	F287 M290 H291 L296 H297 R586 N587 E590	F287-F293 HydrophobicContact CE2-CB 4.41Å; M290-F293 WeakPolarHBondContact O-CD1 3.08Å; M290-F293 WeakPolarHBondContact O-CE1 3.45Å; H291-F293 PolarHBondContact O-N 3.01Å; F293-L296 PolarHBondContact O-N 2.95Å; F293-H297 PolarHBondContact O-N 2.71Å; F293-R586 HydrophobicContact CE2-CB 4.24Å; F293-N587 VanDerWaalsContact CZ-OD1 3.28Å; F293-N587 WeakPolarHBondContact CZ-OD1 3.43Å; F293-E590 HydrophobicContact CD1-CG 4.02Å; F293-E590 HydrophobicContact CE1-CB 4.13Å; F293-E590 HydrophobicContact CE1-CG 3.96Å; F293-E590 HydrophobicContact CE2-CB 4.23Å; F293-E590 HydrophobicContact CE2-CG 4.49Å; F293-E590 HydrophobicContact CG-CG 4.36Å; F293-E590 HydrophobicContact CZ-CB 3.91Å; F293-E590 HydrophobicContact CZ-CG 4.2Å
294	Q	86.3	Confident	80.9	Confident	25 Å²	25	65.5 Å²	65.5	12%	0.117	34%	0.339	C	S	.	.	H	α-helix	trans	-69.1	-37.9	174.4	-69.1	-69.2	-8.9	0	0	111.9	H291 E292 H297 A298 I583 R586 N587	H291-Q294 WeakPolarHBondContact O-CB 3.49Å; H291-Q294 PolarHBondContact O-N 3.32Å; E292-Q294 PolarHBondContact O-N 3.3Å; Q294-H297 WeakPolarHBondContact O-CB 3.31Å; Q294-H297 PolarHBondContact O-N 2.94Å; Q294-A298 PolarHBondContact O-N 2.89Å; Q294-A298 VanDerWaalsContact O-N 3.15Å; Q294-I583 PolarHBondContact NE2-O 2.94Å; Q294-R586 VanDerWaalsContact OE1-CZ 3.28Å; Q294-N587 PolarHBondContact NE2-OD1 2.96Å
295	N	90.7	Very high	81.7	Confident	86 Å²	86	65.7 Å²	65.7	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-42.7	173.3	-70.6	-22.6	0	0	0	110.8	H291 E292 H297 A298 Q299	H291-N295 PolarHBondContact O-N 3.16Å; E292-N295 WeakPolarHBondContact O-CB 3.5Å; E292-N295 PolarHBondContact O-N 3.39Å; E292-N295 VanDerWaalsContact O-N 3.12Å; N295-H297 PolarHBondContact O-N 2.93Å; N295-A298 PolarHBondContact O-N 2.92Å; N295-Q299 WeakPolarHBondContact O-CG 3.46Å; N295-Q299 PolarHBondContact O-N 3.15Å
296	L	92.1	Very high	82.9	Confident	43 Å²	43	60 Å²	60	23%	0.225	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-43.7	174.9	-67.3	175	0	0	0	111.5	F287 E292 F293 A298 Q299 S300	F287-L296 HydrophobicContact CE1-CD1 4.03Å; F287-L296 HydrophobicContact CZ-CD1 3.78Å; E292-L296 WeakPolarHBondContact O-CG 3.18Å; E292-L296 PolarHBondContact O-N 3.01Å; F293-L296 PolarHBondContact O-N 2.95Å; L296-A298 VanDerWaalsContact C-N 3.31Å; L296-A298 PolarHBondContact O-N 3.45Å; L296-Q299 PolarHBondContact O-N 3.07Å; L296-S300 WeakPolarHBondContact O-CB 3.35Å; L296-S300 PolarHBondContact O-N 3.17Å; L296-S300 PolarHBondContact O-OG 3.08Å
297	H	94.6	Very high	84.6	Confident	12 Å²	12	55.4 Å²	55.4	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-53.5	-48.3	173.6	169.2	72.1	0	0	0	111.7	F293 Q294 N295 K301 R498 C500 R586	F293-H297 PolarHBondContact O-N 2.71Å; Q294-H297 WeakPolarHBondContact O-CB 3.31Å; Q294-H297 PolarHBondContact O-N 2.94Å; N295-H297 PolarHBondContact O-N 2.93Å; H297-K301 WeakPolarHBondContact O-CB 3.37Å; H297-K301 PolarHBondContact O-N 2.98Å; H297-R498 WeakPolarHBondContact CA-O 3.43Å; H297-R498 PolarHBondContact ND1-O 3.41Å; H297-C500 PolarHBondContact CE1-O 3.12Å; H297-C500 VanDerWaalsContact CE1-O 3.26Å; H297-C500 PolarHBondContact ND1-O 2.83Å; H297-R586 PolarHBondContact NE2-NH1 3.29Å
298	A	95.1	Very high	86.6	Confident	58 Å²	58	52 Å²	52	48%	0.479	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-42.9	-180	0	0	0	0	0	112.6	Q294 N295 L296 A302	Q294-A298 PolarHBondContact O-N 2.89Å; Q294-A298 VanDerWaalsContact O-N 3.15Å; N295-A298 PolarHBondContact O-N 2.92Å; L296-A298 VanDerWaalsContact C-N 3.31Å; L296-A298 PolarHBondContact O-N 3.45Å; A298-A302 PolarHBondContact O-N 2.97Å
299	Q	95.2	Very high	89	Confident	121 Å²	121	49.5 Å²	49.5	57%	0.565	25%	0.25	S	C	*	.	H	α-helix	trans	-65.5	-48.8	178.4	-68.7	174.6	26.8	0	0	111.8	N295 L296 K301 A302 R303	N295-Q299 WeakPolarHBondContact O-CG 3.46Å; N295-Q299 PolarHBondContact O-N 3.15Å; L296-Q299 PolarHBondContact O-N 3.07Å; Q299-K301 PolarHBondContact O-N 2.83Å; Q299-A302 WeakPolarHBondContact O-CB 3.12Å; Q299-A302 PolarHBondContact O-N 2.9Å; Q299-R303 PolarHBondContact O-N 3.34Å
300	S	96.1	Very high	91.1	Very high	6 Å²	6	48 Å²	48	4%	0.042	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-40.2	178.2	-58.7	0	0	0	0	111.8	L296 A302 R303 I304 E495	L296-S300 WeakPolarHBondContact O-CB 3.35Å; L296-S300 PolarHBondContact O-N 3.17Å; L296-S300 PolarHBondContact O-OG 3.08Å; S300-A302 VanDerWaalsContact C-N 3.28Å; S300-A302 PolarHBondContact O-N 2.98Å; S300-R303 WeakPolarHBondContact O-CB 3.32Å; S300-R303 PolarHBondContact O-N 2.65Å; S300-R303 VanDerWaalsContact O-N 3.13Å; S300-I304 PolarHBondContact O-N 3.07Å; S300-I304 VanDerWaalsContact O-N 3.09Å; S300-E495 WeakPolarHBondContact CB-O 3.32Å; S300-E495 VanDerWaalsContact OG-CG 3.26Å; S300-E495 WeakPolarHBondContact OG-CG 3.44Å; S300-E495 PolarHBondContact OG-O 3.33Å
301	K	97.2	Very high	92.8	Very high	24 Å²	24	43.9 Å²	43.9	10%	0.104	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-39.8	173.8	178.8	179.1	171.3	168.9	0	111.5	H297 Q299 R303 I304 Q305 Y325 H501	H297-K301 WeakPolarHBondContact O-CB 3.37Å; H297-K301 PolarHBondContact O-N 2.98Å; Q299-K301 PolarHBondContact O-N 2.83Å; K301-R303 VanDerWaalsContact C-N 3.31Å; K301-R303 PolarHBondContact O-N 2.95Å; K301-I304 PolarHBondContact O-N 3.01Å; K301-Q305 WeakPolarHBondContact O-CG 3.32Å; K301-Q305 PolarHBondContact O-N 3.16Å; K301-Y325 HydrophobicContact CG-CD2 4.26Å; K301-Y325 HydrophobicContact CG-CE2 3.98Å; K301-H501 PolarHBondContact NZ-CE1 2.95Å; K301-H501 PolarHBondContact NZ-NE2 3.06Å
302	A	96.3	Very high	93.8	Very high	44 Å²	44	38.4 Å²	38.4	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-62.6	-38.1	176.9	0	0	0	0	0	112	A298 Q299 S300 Q305 E306	A298-A302 PolarHBondContact O-N 2.97Å; Q299-A302 WeakPolarHBondContact O-CB 3.12Å; Q299-A302 PolarHBondContact O-N 2.9Å; S300-A302 VanDerWaalsContact C-N 3.28Å; S300-A302 PolarHBondContact O-N 2.98Å; A302-Q305 WeakPolarHBondContact O-CB 3.5Å; A302-Q305 PolarHBondContact O-N 3.04Å; A302-E306 PolarHBondContact O-N 2.97Å
303	R	95.3	Very high	94.4	Very high	130 Å²	130	35 Å²	35	49%	0.491	18%	0.175	S	C	.	.	H	α-helix	trans	-64.8	-42.5	174.3	-65.4	-171.7	-180	-168.3	-3.2	112.4	Q299 S300 K301 Q305 E306 F307 V491 E495	Q299-R303 PolarHBondContact O-N 3.34Å; S300-R303 WeakPolarHBondContact O-CB 3.32Å; S300-R303 PolarHBondContact O-N 2.65Å; S300-R303 VanDerWaalsContact O-N 3.13Å; K301-R303 VanDerWaalsContact C-N 3.31Å; K301-R303 PolarHBondContact O-N 2.95Å; R303-Q305 VanDerWaalsContact C-N 3.33Å; R303-Q305 PolarHBondContact O-N 3.23Å; R303-E306 WeakPolarHBondContact O-CB 3.45Å; R303-E306 PolarHBondContact O-N 3.42Å; R303-F307 PolarHBondContact O-N 3.32Å; R303-V491 HydrophobicContact CB-CG1 3.99Å; R303-E495 WeakPolarHBondContact CD-OE1 3.47Å; R303-E495 IonicContact CZ-OE1 3.66Å; R303-E495 IonicContact CZ-OE2 2.67Å; R303-E495 IonicContact NE-OE1 3.32Å; R303-E495 PolarHBondContact NE-OE1 3.29Å; R303-E495 IonicContact NH1-OE1 3.35Å; R303-E495 PolarHBondContact NH1-OE1 3.1Å; R303-E495 IonicContact NH1-OE2 3.8Å; R303-E495 PolarHBondContact NH1-OE2 3.46Å; R303-E495 IonicContact NH2-OE1 2.63Å
304	I	97.3	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-41.9	174.2	-62.1	173.6	0	0	0	110.5	S300 K301 E306 F307 V308 Y325 F365 F496	S300-I304 PolarHBondContact O-N 3.07Å; S300-I304 VanDerWaalsContact O-N 3.09Å; K301-I304 PolarHBondContact O-N 3.01Å; I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 2.95Å; I304-F307 WeakPolarHBondContact O-CB 3.24Å; I304-F307 PolarHBondContact O-N 3.21Å; I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 WeakPolarHBondContact O-CG2 3.43Å; I304-V308 PolarHBondContact O-N 2.91Å; I304-Y325 HydrophobicContact CB-CE2 4.34Å; I304-Y325 HydrophobicContact CG2-CD1 4.13Å; I304-Y325 HydrophobicContact CG2-CD2 3.96Å; I304-Y325 HydrophobicContact CG2-CE1 4.08Å; I304-Y325 HydrophobicContact CG2-CE2 3.88Å; I304-Y325 HydrophobicContact CG2-CG 4.11Å; I304-F365 HydrophobicContact CG2-CE2 4.08Å; I304-F365 HydrophobicContact CG2-CZ 3.89Å; I304-F496 HydrophobicContact CD1-CD2 3.84Å; I304-F496 HydrophobicContact CD1-CE2 4.12Å; I304-F496 HydrophobicContact CG1-CD2 4.14Å
305	Q	96.9	Very high	95	Very high	23 Å²	23	37.3 Å²	37.3	11%	0.107	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-39	176.1	-78.8	-179.5	-12.7	0	0	112.2	K301 A302 R303 V308 R309 L320 Y325	K301-Q305 WeakPolarHBondContact O-CG 3.32Å; K301-Q305 PolarHBondContact O-N 3.16Å; A302-Q305 WeakPolarHBondContact O-CB 3.5Å; A302-Q305 PolarHBondContact O-N 3.04Å; R303-Q305 VanDerWaalsContact C-N 3.33Å; R303-Q305 PolarHBondContact O-N 3.23Å; Q305-V308 PolarHBondContact O-N 3.48Å; Q305-R309 WeakPolarHBondContact O-CG 3.29Å; Q305-R309 PolarHBondContact O-N 2.99Å; Q305-L320 HydrophobicContact CB-CD1 4.49Å; Q305-L320 HydrophobicContact CG-CB 4.47Å; Q305-L320 PolarHBondContact NE2-O 3.13Å; Q305-Y325 HydrophobicContact CG-CE2 4Å; Q305-Y325 WeakPolarHBondContact CG-OH 3.4Å
306	E	95.2	Very high	95	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-45.3	174.1	-76	-54.7	118.9	0	0	112	A302 R303 I304 V308 R309 G310 R386	A302-E306 PolarHBondContact O-N 2.97Å; R303-E306 WeakPolarHBondContact O-CB 3.45Å; R303-E306 PolarHBondContact O-N 3.42Å; I304-E306 VanDerWaalsContact C-N 3.3Å; I304-E306 PolarHBondContact O-N 2.95Å; E306-V308 VanDerWaalsContact C-N 3.34Å; E306-V308 PolarHBondContact O-N 3.2Å; E306-R309 PolarHBondContact O-N 3.16Å; E306-R309 IonicContact OE1-CZ 3.58Å; E306-R309 IonicContact OE1-NE 3.67Å; E306-R309 IonicContact OE1-NH1 2.69Å; E306-R309 PolarHBondContact OE1-NH1 3.01Å; E306-G310 PolarHBondContact O-N 2.88Å; E306-G310 VanDerWaalsContact O-N 3.17Å; E306-R386 WeakPolarHBondContact O-CD 3.43Å; E306-R386 IonicContact OE2-CZ 3.96Å; E306-R386 IonicContact OE2-NE 2.64Å; E306-R386 IonicContact OE2-NH1 3.24Å; E306-R386 PolarHBondContact OE2-NH1 3.23Å
307	F	96.3	Very high	95	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-47.2	173.3	168	-99.7	0	0	0	111.4	R303 I304 R309 G310 H311 F365 T379 Q383 T445 I476 L488 L489	R303-F307 PolarHBondContact O-N 3.32Å; I304-F307 WeakPolarHBondContact O-CB 3.24Å; I304-F307 PolarHBondContact O-N 3.21Å; F307-R309 PolarHBondContact O-N 2.64Å; F307-G310 PolarHBondContact O-N 3.17Å; F307-G310 VanDerWaalsContact O-N 3.11Å; F307-H311 HydrophobicContact CE1-CB 4.21Å; F307-H311 HydrophobicContact CE2-CB 4.48Å; F307-H311 HydrophobicContact CZ-CB 4.1Å; F307-H311 AromaticContact CZ-CG 3.97Å; F307-H311 AromaticContact CZ-ND1 3.64Å; F307-H311 WeakPolarHBondContact O-CB 3.17Å; F307-H311 PolarHBondContact O-N 3.35Å; F307-F365 HydrophobicContact CD1-CE1 4.04Å; F307-F365 HydrophobicContact CD1-CZ 4.22Å; F307-F365 AromaticContact CE1-CE1 3.72Å; F307-F365 HydrophobicContact CE1-CE1 3.72Å; F307-F365 HydrophobicContact CE1-CZ 4.24Å; F307-T379 HydrophobicContact CE2-CG2 4.07Å; F307-Q383 PolarHBondContact O-NE2 2.9Å; F307-T445 HydrophobicContact CZ-CG2 4.06Å; F307-I476 HydrophobicContact CE1-CD1 3.75Å; F307-I476 HydrophobicContact CE1-CG2 4.27Å; F307-I476 HydrophobicContact CZ-CG2 4.31Å; F307-L488 WeakPolarHBondContact CD2-O 3.26Å; F307-L488 HydrophobicContact CE2-CB 4.38Å; F307-L489 HydrophobicContact CB-CD1 3.69Å; F307-L489 HydrophobicContact CD1-CD1 4.5Å; F307-L489 HydrophobicContact CD2-CB 4.06Å; F307-L489 HydrophobicContact CE2-CB 4.48Å; F307-L489 HydrophobicContact CG-CB 4.35Å; F307-L489 HydrophobicContact CG-CD1 3.98Å
308	V	97.6	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-41.1	179.7	172.7	0	0	0	0	111.8	I304 Q305 E306 G310 H311 F312 F318 L320 Y325 F365	I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 WeakPolarHBondContact O-CG2 3.43Å; I304-V308 PolarHBondContact O-N 2.91Å; Q305-V308 PolarHBondContact O-N 3.48Å; E306-V308 VanDerWaalsContact C-N 3.34Å; E306-V308 PolarHBondContact O-N 3.2Å; V308-G310 VanDerWaalsContact C-N 3.27Å; V308-G310 PolarHBondContact O-N 2.69Å; V308-H311 PolarHBondContact O-N 2.93Å; V308-F312 HydrophobicContact CG1-CD2 3.82Å; V308-F312 HydrophobicContact CG1-CE2 4.3Å; V308-F312 WeakPolarHBondContact O-CB 3.32Å; V308-F312 WeakPolarHBondContact O-CD2 3.43Å; V308-F312 PolarHBondContact O-N 3.11Å; V308-F318 HydrophobicContact CG1-CE2 4.28Å; V308-F318 HydrophobicContact CG1-CZ 4.11Å; V308-L320 HydrophobicContact CG1-CD2 3.88Å; V308-Y325 HydrophobicContact CG2-CE1 3.84Å; V308-F365 HydrophobicContact CG2-CZ 4.22Å
309	R	95.8	Very high	95.2	Very high	85 Å²	85	40.2 Å²	40.2	32%	0.321	21%	0.207	S	C	.	.	H	α-helix	trans	-56.7	-42.6	174.1	-74	177.3	-176.7	99.2	9.5	111.6	Q305 E306 F307 Y313 L316 L320 R386	Q305-R309 WeakPolarHBondContact O-CG 3.29Å; Q305-R309 PolarHBondContact O-N 2.99Å; E306-R309 PolarHBondContact O-N 3.16Å; E306-R309 IonicContact OE1-CZ 3.58Å; E306-R309 IonicContact OE1-NE 3.67Å; E306-R309 IonicContact OE1-NH1 2.69Å; E306-R309 PolarHBondContact OE1-NH1 3.01Å; F307-R309 PolarHBondContact O-N 2.64Å; R309-Y313 PolarHBondContact O-N 2.9Å; R309-L316 HydrophobicContact CG-CD2 4.04Å; R309-L320 HydrophobicContact CG-CD1 3.64Å; R309-R386 HydrophobicContact CB-CG 4.34Å
310	G	94.9	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-73.2	-39.1	177.4	0	0	0	0	0	113.3	E306 F307 V308 Y313 G382	E306-G310 PolarHBondContact O-N 2.88Å; E306-G310 VanDerWaalsContact O-N 3.17Å; F307-G310 PolarHBondContact O-N 3.17Å; F307-G310 VanDerWaalsContact O-N 3.11Å; V308-G310 VanDerWaalsContact C-N 3.27Å; V308-G310 PolarHBondContact O-N 2.69Å; G310-Y313 VanDerWaalsContact O-CD1 3.25Å; G310-Y313 WeakPolarHBondContact O-CD1 3.49Å; G310-Y313 PolarHBondContact O-N 3.44Å; G310-G382 CarbonylContact O-C 3.57Å; G310-G382 VanDerWaalsContact O-CA 3.23Å; G310-G382 WeakPolarHBondContact O-CA 3.36Å
311	H	96.5	Very high	95.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	21%	0.205	C	C	.	.	H	α-helix	trans	-69	-37.2	-178.8	-163	79.1	0	0	0	112.5	F307 V308 T379 R437 P442	F307-H311 HydrophobicContact CE1-CB 4.21Å; F307-H311 HydrophobicContact CE2-CB 4.48Å; F307-H311 HydrophobicContact CZ-CB 4.1Å; F307-H311 AromaticContact CZ-CG 3.97Å; F307-H311 AromaticContact CZ-ND1 3.64Å; F307-H311 WeakPolarHBondContact O-CB 3.17Å; F307-H311 PolarHBondContact O-N 3.35Å; V308-H311 PolarHBondContact O-N 2.93Å; H311-T379 PolarHBondContact CE1-OG1 2.82Å; H311-T379 VanDerWaalsContact ND1-CG2 3.31Å; H311-T379 WeakPolarHBondContact ND1-CG2 3.44Å; H311-R437 PolarHBondContact O-NH1 2.76Å; H311-P442 PolarHBondContact CE1-O 2.76Å; H311-P442 PolarHBondContact NE2-O 3.41Å
312	F	96.1	Very high	95.2	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	23.7	178.7	-69.2	-98.3	0	0	0	112.8	V308 G314 H315 L316 F318 P441 N467 K474 I476	V308-F312 HydrophobicContact CG1-CD2 3.82Å; V308-F312 HydrophobicContact CG1-CE2 4.3Å; V308-F312 WeakPolarHBondContact O-CB 3.32Å; V308-F312 WeakPolarHBondContact O-CD2 3.43Å; V308-F312 PolarHBondContact O-N 3.11Å; F312-G314 PolarHBondContact O-N 2.98Å; F312-H315 CarbonylContact O-C 3.36Å; F312-H315 VanDerWaalsContact O-C 3.24Å; F312-H315 WeakPolarHBondContact O-CA 3.26Å; F312-H315 PolarHBondContact O-N 3.35Å; F312-L316 HydrophobicContact CB-CD1 4.33Å; F312-L316 PolarHBondContact O-N 3.45Å; F312-F318 HydrophobicContact CB-CE1 4.4Å; F312-F318 HydrophobicContact CB-CZ 4.41Å; F312-F318 AromaticContact CD1-CE1 3.84Å; F312-F318 HydrophobicContact CD1-CE1 3.84Å; F312-F318 HydrophobicContact CD1-CZ 4.11Å; F312-F318 HydrophobicContact CD2-CZ 4.39Å; F312-F318 HydrophobicContact CE1-CE1 4.41Å; F312-F318 HydrophobicContact CG-CE1 4.13Å; F312-F318 HydrophobicContact CG-CZ 4.04Å; F312-P441 HydrophobicContact CD1-CB 3.67Å; F312-P441 HydrophobicContact CD1-CG 3.51Å; F312-P441 HydrophobicContact CE1-CB 3.68Å; F312-P441 HydrophobicContact CE1-CG 3.9Å; F312-P441 HydrophobicContact CG-CB 4.23Å; F312-P441 HydrophobicContact CG-CG 4.22Å; F312-P441 HydrophobicContact CZ-CB 4.25Å; F312-N467 HydrophobicContact CE1-CB 4.1Å; F312-K474 HydrophobicContact CE1-CB 3.97Å; F312-K474 HydrophobicContact CE1-CD 4.02Å; F312-K474 HydrophobicContact CE1-CG 3.8Å; F312-K474 HydrophobicContact CZ-CB 3.64Å; F312-K474 HydrophobicContact CZ-CG 3.93Å; F312-I476 HydrophobicContact CE2-CD1 3.88Å; F312-I476 HydrophobicContact CE2-CG1 4.39Å
313	Y	92.9	Very high	95.3	Very high	8 Å²	8	39.7 Å²	39.7	3%	0.031	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	136.3	175.8	81.9	-82.4	0	0	0	111	R309 G310 H315 E378 V385 R437	R309-Y313 PolarHBondContact O-N 2.9Å; G310-Y313 VanDerWaalsContact O-CD1 3.25Å; G310-Y313 WeakPolarHBondContact O-CD1 3.49Å; G310-Y313 PolarHBondContact O-N 3.44Å; Y313-H315 PolarHBondContact O-N 2.85Å; Y313-H315 VanDerWaalsContact O-N 3.16Å; Y313-E378 PolarHBondContact OH-OE2 2.94Å; Y313-V385 HydrophobicContact CD2-CG1 4.37Å; Y313-R437 HydrophobicContact CE2-CB 3.91Å; Y313-R437 HydrophobicContact CE2-CG 4.5Å; Y313-R437 WeakPolarHBondContact O-CD 3.45Å
314	G	91	Very high	95.4	Very high	51 Å²	51	33.6 Å²	33.6	53%	0.526	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-12	-174.6	0	0	0	0	0	115.5	F312 T435	F312-G314 PolarHBondContact O-N 2.98Å; G314-T435 WeakPolarHBondContact CA-O 3.17Å
315	H	93	Very high	95.5	Very high	32 Å²	32	33.6 Å²	33.6	15%	0.148	18%	0.176	C	C	.	.			trans	-130.6	24.3	-179.6	-68.6	-92.3	0	0	0	112.7	F312 Y313 D317 S439 P441	F312-H315 CarbonylContact O-C 3.36Å; F312-H315 VanDerWaalsContact O-C 3.24Å; F312-H315 WeakPolarHBondContact O-CA 3.26Å; F312-H315 PolarHBondContact O-N 3.35Å; Y313-H315 PolarHBondContact O-N 2.85Å; Y313-H315 VanDerWaalsContact O-N 3.16Å; H315-D317 PolarHBondContact O-N 3.34Å; H315-S439 PolarHBondContact NE2-O 3.24Å; H315-P441 HydrophobicContact CB-CG 3.74Å
316	L	90.3	Very high	95.6	Very high	75 Å²	75	32.5 Å²	32.5	39%	0.393	17%	0.171	S	C	.	.			trans	-81.9	67	175.2	-166.4	70.1	0	0	0	109.5	R309 F312 F318 L320	R309-L316 HydrophobicContact CG-CD2 4.04Å; F312-L316 HydrophobicContact CB-CD1 4.33Å; F312-L316 PolarHBondContact O-N 3.45Å; L316-F318 VanDerWaalsContact C-N 3.33Å; L316-F318 HydrophobicContact CD1-CE1 4.07Å; L316-F318 HydrophobicContact CD1-CE2 3.99Å; L316-F318 HydrophobicContact CD1-CZ 3.74Å; L316-L320 HydrophobicContact CD1-CD1 4.46Å; L316-L320 HydrophobicContact CD1-CD2 4.17Å; L316-L320 HydrophobicContact CD1-CG 4.34Å; L316-L320 HydrophobicContact CD2-CD1 4.35Å
317	D	92.3	Very high	95.8	Very high	82 Å²	82	30 Å²	30	44%	0.439	16%	0.159	S	C	.	.			trans	-94.7	15.1	-178.4	59.6	1.6	0	0	0	113.3	H315 S469	H315-D317 PolarHBondContact O-N 3.34Å; D317-S469 WeakPolarHBondContact OD2-CA 3.32Å; D317-S469 WeakPolarHBondContact OD2-CB 3.27Å; D317-S469 PolarHBondContact OD2-OG 2.88Å
318	F	96.1	Very high	95.9	Very high	20 Å²	20	29.8 Å²	29.8	9%	0.088	16%	0.158	C	C	.	.	S	Bend	trans	-131.5	154.1	-179.1	57.9	-89.2	0	0	0	112.3	V308 F312 L316 L320 T323 T361	V308-F318 HydrophobicContact CG1-CE2 4.28Å; V308-F318 HydrophobicContact CG1-CZ 4.11Å; F312-F318 HydrophobicContact CB-CE1 4.4Å; F312-F318 HydrophobicContact CB-CZ 4.41Å; F312-F318 AromaticContact CD1-CE1 3.84Å; F312-F318 HydrophobicContact CD1-CE1 3.84Å; F312-F318 HydrophobicContact CD1-CZ 4.11Å; F312-F318 HydrophobicContact CD2-CZ 4.39Å; F312-F318 HydrophobicContact CE1-CE1 4.41Å; F312-F318 HydrophobicContact CG-CE1 4.13Å; F312-F318 HydrophobicContact CG-CZ 4.04Å; L316-F318 VanDerWaalsContact C-N 3.33Å; L316-F318 HydrophobicContact CD1-CE1 4.07Å; L316-F318 HydrophobicContact CD1-CE2 3.99Å; L316-F318 HydrophobicContact CD1-CZ 3.74Å; F318-L320 HydrophobicContact CD2-CD2 4.35Å; F318-L320 HydrophobicContact CE2-CD2 3.77Å; F318-T323 WeakPolarHBondContact CD2-OG1 3.43Å; F318-T323 HydrophobicContact CE2-CG2 4.39Å; F318-T361 HydrophobicContact CB-CG2 4.26Å; F318-T361 WeakPolarHBondContact CB-OG1 3.47Å; F318-T361 HydrophobicContact CD1-CG2 4.46Å; F318-T361 HydrophobicContact CD2-CG2 3.75Å; F318-T361 HydrophobicContact CE2-CG2 4.15Å; F318-T361 HydrophobicContact CG-CG2 3.91Å
319	N	96.2	Very high	95.9	Very high	83 Å²	83	30.1 Å²	30.1	44%	0.444	16%	0.161	S	C	.	.			trans	-84.7	118.5	-177.6	-175.8	-8.9	0	0	0	111.5	D321 K322 T323	N319-D321 VanDerWaalsContact C-N 3.26Å; N319-D321 PolarHBondContact O-N 2.95Å; N319-D321 WeakPolarHBondContact OD1-CB 2.8Å; N319-D321 PolarHBondContact OD1-N 3.36Å; N319-K322 HydrophobicContact CB-CB 4.4Å; N319-K322 CarbonylContact O-C 3.6Å; N319-K322 VanDerWaalsContact O-C 3.26Å; N319-K322 WeakPolarHBondContact O-CA 3.49Å; N319-K322 PolarHBondContact O-N 2.95Å; N319-T323 PolarHBondContact O-N 3.39Å; N319-T323 PolarHBondContact O-OG1 2.82Å
320	L	96.4	Very high	95.8	Very high	13 Å²	13	27 Å²	27	7%	0.068	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-65.5	-22.3	178.4	-66.6	175.5	0	0	0	114.3	Q305 V308 R309 L316 F318 K322 T323	Q305-L320 HydrophobicContact CB-CD1 4.49Å; Q305-L320 HydrophobicContact CG-CB 4.47Å; Q305-L320 PolarHBondContact NE2-O 3.13Å; V308-L320 HydrophobicContact CG1-CD2 3.88Å; R309-L320 HydrophobicContact CG-CD1 3.64Å; L316-L320 HydrophobicContact CD1-CD1 4.46Å; L316-L320 HydrophobicContact CD1-CD2 4.17Å; L316-L320 HydrophobicContact CD1-CG 4.34Å; L316-L320 HydrophobicContact CD2-CD1 4.35Å; F318-L320 HydrophobicContact CD2-CD2 4.35Å; F318-L320 HydrophobicContact CE2-CD2 3.77Å; L320-K322 VanDerWaalsContact C-N 3.31Å; L320-T323 WeakPolarHBondContact CA-OG1 3.43Å; L320-T323 PolarHBondContact O-N 3.4Å
321	D	95.4	Very high	95.6	Very high	92 Å²	92	33.2 Å²	33.2	49%	0.492	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-72.5	-26.8	171.9	-82.3	-51.7	0	0	0	113	N319 R579	N319-D321 VanDerWaalsContact C-N 3.26Å; N319-D321 PolarHBondContact O-N 2.95Å; N319-D321 WeakPolarHBondContact OD1-CB 2.8Å; N319-D321 PolarHBondContact OD1-N 3.36Å; D321-R579 IonicContact OD1-NH2 2.75Å; D321-R579 PolarHBondContact OD1-NH2 3.33Å
322	K	97.1	Very high	95.5	Very high	79 Å²	79	35.9 Å²	35.9	34%	0.343	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-104.1	26.7	173.5	-61.6	-176.2	178.6	176.7	0	111.3	N319 L320 E359 Q360 T361	N319-K322 HydrophobicContact CB-CB 4.4Å; N319-K322 CarbonylContact O-C 3.6Å; N319-K322 VanDerWaalsContact O-C 3.26Å; N319-K322 WeakPolarHBondContact O-CA 3.49Å; N319-K322 PolarHBondContact O-N 2.95Å; L320-K322 VanDerWaalsContact C-N 3.31Å; K322-E359 HydrophobicContact CD-CB 4.13Å; K322-E359 IonicContact NZ-OE2 3.52Å; K322-E359 PolarHBondContact NZ-OE2 3.22Å; K322-Q360 WeakPolarHBondContact O-CA 3.46Å; K322-Q360 PolarHBondContact O-OE1 3.47Å; K322-T361 PolarHBondContact O-N 2.92Å
323	T	98.6	Very high	95.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.3	173.9	-59.5	0	0	0	0	110.6	F318 N319 L320 Y325 T361 V363	F318-T323 WeakPolarHBondContact CD2-OG1 3.43Å; F318-T323 HydrophobicContact CE2-CG2 4.39Å; N319-T323 PolarHBondContact O-N 3.39Å; N319-T323 PolarHBondContact O-OG1 2.82Å; L320-T323 WeakPolarHBondContact CA-OG1 3.43Å; L320-T323 PolarHBondContact O-N 3.4Å; T323-Y325 HydrophobicContact CG2-CD1 4.39Å; T323-Y325 HydrophobicContact CG2-CE1 3.78Å; T323-T361 CarbonylContact C-O 3.55Å; T323-T361 VanDerWaalsContact CA-O 3.22Å; T323-T361 WeakPolarHBondContact CA-O 3.49Å; T323-T361 HydrophobicContact CG2-CG2 4.49Å; T323-V363 HydrophobicContact CG2-CB 4.48Å; T323-V363 HydrophobicContact CG2-CG2 3.75Å
324	L	98.8	Very high	95.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.3	173.8	-58.9	177.8	0	0	0	110	F326 T361 V362 V363 H501 F574 C575	L324-F326 HydrophobicContact CB-CD1 4.43Å; L324-F326 HydrophobicContact CB-CE1 3.86Å; L324-F326 HydrophobicContact CB-CZ 4.4Å; L324-F326 HydrophobicContact CD1-CE1 4.29Å; L324-F326 HydrophobicContact CD1-CZ 4.33Å; L324-T361 PolarHBondContact N-O 2.99Å; L324-V362 WeakPolarHBondContact O-CA 3.48Å; L324-V363 PolarHBondContact O-N 3.41Å; L324-H501 HydrophobicContact CD2-CB 4.36Å; L324-F574 HydrophobicContact CD1-CD1 4.06Å; L324-F574 HydrophobicContact CD1-CE1 4.19Å; L324-C575 HydrophobicContact CD1-CB 4.37Å
325	Y	98.8	Very high	95.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	109.8	-179.5	-63.1	-51	0	0	0	109	K301 I304 Q305 V308 T323 V363 F365 H501 L502	K301-Y325 HydrophobicContact CG-CD2 4.26Å; K301-Y325 HydrophobicContact CG-CE2 3.98Å; I304-Y325 HydrophobicContact CB-CE2 4.34Å; I304-Y325 HydrophobicContact CG2-CD1 4.13Å; I304-Y325 HydrophobicContact CG2-CD2 3.96Å; I304-Y325 HydrophobicContact CG2-CE1 4.08Å; I304-Y325 HydrophobicContact CG2-CE2 3.88Å; I304-Y325 HydrophobicContact CG2-CG 4.11Å; Q305-Y325 HydrophobicContact CG-CE2 4Å; Q305-Y325 WeakPolarHBondContact CG-OH 3.4Å; V308-Y325 HydrophobicContact CG2-CE1 3.84Å; T323-Y325 HydrophobicContact CG2-CD1 4.39Å; T323-Y325 HydrophobicContact CG2-CE1 3.78Å; Y325-V363 WeakPolarHBondContact CA-O 3.43Å; Y325-V363 HydrophobicContact CD1-CB 3.88Å; Y325-V363 HydrophobicContact CD1-CG1 4.45Å; Y325-V363 HydrophobicContact CE1-CB 3.98Å; Y325-V363 HydrophobicContact CE1-CG2 4.21Å; Y325-F365 AromaticContact CD1-CE2 3.86Å; Y325-F365 HydrophobicContact CD1-CE2 3.86Å; Y325-F365 HydrophobicContact CE1-CE2 4.49Å; Y325-F365 HydrophobicContact CG-CE2 4.48Å; Y325-H501 AromaticContact CD2-CE1 3.63Å; Y325-H501 AromaticContact CD2-ND1 3.74Å; Y325-H501 AromaticContact CG-ND1 3.98Å; Y325-H501 PolarHBondContact N-ND1 3.34Å; Y325-H501 PolarHBondContact O-N 3.35Å; Y325-L502 PolarHBondContact O-N 3.02Å
326	F	98.9	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	149.5	173.7	-61.7	-9.6	0	0	0	108.4	L324 F342 L349 V362 V363 A364 F365 L502 V504 L571 F574	L324-F326 HydrophobicContact CB-CD1 4.43Å; L324-F326 HydrophobicContact CB-CE1 3.86Å; L324-F326 HydrophobicContact CB-CZ 4.4Å; L324-F326 HydrophobicContact CD1-CE1 4.29Å; L324-F326 HydrophobicContact CD1-CZ 4.33Å; F326-F342 HydrophobicContact CB-CZ 4.22Å; F326-L349 HydrophobicContact CE2-CD2 4.25Å; F326-V362 HydrophobicContact CB-CG1 4.36Å; F326-V362 HydrophobicContact CD1-CG1 4.48Å; F326-V362 HydrophobicContact CD2-CG1 3.38Å; F326-V362 HydrophobicContact CE2-CG1 3.66Å; F326-V362 HydrophobicContact CE2-CG2 4.03Å; F326-V362 HydrophobicContact CG-CG1 3.83Å; F326-V362 HydrophobicContact CZ-CG1 4.33Å; F326-V362 HydrophobicContact CZ-CG2 4.25Å; F326-V363 PolarHBondContact N-O 2.99Å; F326-A364 CarbonylContact O-C 3.53Å; F326-A364 VanDerWaalsContact O-CA 3.32Å; F326-A364 WeakPolarHBondContact O-CA 3.46Å; F326-F365 PolarHBondContact O-N 2.94Å; F326-L502 WeakPolarHBondContact CA-O 3.35Å; F326-L502 HydrophobicContact CD1-CB 3.57Å; F326-L502 HydrophobicContact CD1-CD2 4.15Å; F326-L502 HydrophobicContact CD1-CG 4.44Å; F326-L502 HydrophobicContact CE1-CB 3.77Å; F326-L502 HydrophobicContact CE1-CD2 3.93Å; F326-L502 HydrophobicContact CE2-CD2 4.38Å; F326-L502 HydrophobicContact CG-CB 4.36Å; F326-L502 HydrophobicContact CG-CD2 4.48Å; F326-L502 HydrophobicContact CZ-CD2 4.06Å; F326-V504 HydrophobicContact CB-CG2 4.4Å; F326-L571 HydrophobicContact CD2-CD2 3.92Å; F326-L571 HydrophobicContact CE2-CB 4.31Å; F326-L571 HydrophobicContact CE2-CD2 3.77Å; F326-F574 AromaticContact CE1-CD1 3.67Å; F326-F574 HydrophobicContact CE1-CD1 3.67Å; F326-F574 AromaticContact CE1-CE1 3.82Å; F326-F574 HydrophobicContact CE1-CE1 3.82Å; F326-F574 AromaticContact CZ-CD1 3.82Å; F326-F574 HydrophobicContact CZ-CD1 3.82Å; F326-F574 HydrophobicContact CZ-CE1 4.43Å
327	F	98.8	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	151.5	176.1	77.6	-77.4	0	0	0	112.6	A329 F365 F496 V497 C500 L502 V504 F505 C519	F327-A329 HydrophobicContact CD2-CB 4.05Å; F327-A329 HydrophobicContact CE2-CB 4.14Å; F327-F365 CarbonylContact C-O 3.51Å; F327-F365 VanDerWaalsContact CA-O 3.26Å; F327-F365 WeakPolarHBondContact CA-O 3.42Å; F327-F365 HydrophobicContact CB-CB 3.96Å; F327-F496 HydrophobicContact CB-CE1 3.76Å; F327-F496 HydrophobicContact CB-CZ 4Å; F327-F496 HydrophobicContact CD1-CE1 4.46Å; F327-F496 AromaticContact CD2-CE1 3.87Å; F327-F496 HydrophobicContact CD2-CE1 3.87Å; F327-F496 AromaticContact CG-CE1 3.77Å; F327-F496 HydrophobicContact CG-CE1 3.77Å; F327-F496 HydrophobicContact CG-CZ 4.46Å; F327-V497 HydrophobicContact CE1-CG1 4.41Å; F327-V497 HydrophobicContact CE2-CG2 3.92Å; F327-V497 HydrophobicContact CZ-CB 4.21Å; F327-V497 HydrophobicContact CZ-CG1 3.94Å; F327-V497 HydrophobicContact CZ-CG2 3.69Å; F327-C500 HydrophobicContact CD1-CB 3.55Å; F327-C500 HydrophobicContact CE1-CB 3.81Å; F327-L502 WeakPolarHBondContact CD1-O 3.47Å; F327-L502 PolarHBondContact N-O 2.93Å; F327-L502 VanDerWaalsContact N-O 3.15Å; F327-V504 PolarHBondContact O-N 3.19Å; F327-F505 HydrophobicContact CD2-CE1 4.46Å; F327-F505 HydrophobicContact CD2-CZ 4.49Å; F327-F505 HydrophobicContact CE2-CE1 4.05Å; F327-F505 AromaticContact CE2-CZ 3.78Å; F327-F505 HydrophobicContact CE2-CZ 3.78Å; F327-F505 AromaticContact CZ-CZ 3.83Å; F327-F505 HydrophobicContact CZ-CZ 3.83Å; F327-C519 VanDerWaalsContact CZ-SG 3.53Å
328	I	98.7	Very high	96.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.6	163.2	-171.7	172	0	0	0	107.6	K337 A339 F342 F365 F366 I367 M368 V504 F505	I328-K337 WeakPolarHBondContact CD1-O 3.29Å; I328-A339 HydrophobicContact CD1-CB 4.45Å; I328-F342 HydrophobicContact CB-CD1 3.93Å; I328-F342 HydrophobicContact CB-CE1 4.04Å; I328-F342 HydrophobicContact CD1-CD1 4.45Å; I328-F342 HydrophobicContact CG2-CD1 3.74Å; I328-F342 HydrophobicContact CG2-CE1 3.91Å; I328-F365 PolarHBondContact N-O 3.42Å; I328-F366 HydrophobicContact CG2-CB 4.18Å; I328-F366 HydrophobicContact CG2-CD1 3.31Å; I328-F366 HydrophobicContact CG2-CD2 4.46Å; I328-F366 HydrophobicContact CG2-CE1 3.67Å; I328-F366 HydrophobicContact CG2-CG 3.74Å; I328-F366 HydrophobicContact CG2-CZ 4.36Å; I328-I367 PolarHBondContact O-N 3Å; I328-M368 HydrophobicContact CB-CE 4.49Å; I328-M368 HydrophobicContact CD1-CE 3.56Å; I328-M368 HydrophobicContact CG1-CE 3.66Å; I328-M368 HydrophobicContact CG2-CE 4.1Å; I328-V504 WeakPolarHBondContact CB-O 3.46Å; I328-V504 VanDerWaalsContact CG1-O 3.3Å; I328-V504 WeakPolarHBondContact CG1-O 3.31Å; I328-F505 HydrophobicContact CG1-CD1 4.26Å
329	A	96.9	Very high	96.1	Very high	6 Å²	6	30.8 Å²	30.8	5%	0.05	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.3	-179.8	0	0	0	0	0	110.8	F327 I367 Y493 T515	F327-A329 HydrophobicContact CD2-CB 4.05Å; F327-A329 HydrophobicContact CE2-CB 4.14Å; A329-I367 VanDerWaalsContact CA-O 3.31Å; A329-I367 WeakPolarHBondContact CA-O 3.42Å; A329-I367 HydrophobicContact CB-CB 3.98Å; A329-Y493 HydrophobicContact CB-CE2 3.92Å; A329-T515 HydrophobicContact CB-CG2 4.14Å
330	G	93.3	Very high	96.2	Very high	21 Å²	21	28.7 Å²	28.7	22%	0.216	14%	0.142	C	C	.	.	S	Bend	trans	152.5	-170.6	174.3	0	0	0	0	0	113.3	I367 P369	G330-I367 PolarHBondContact N-O 3.39Å; G330-I367 VanDerWaalsContact N-O 3.17Å; G330-P369 WeakPolarHBondContact O-CD 3.46Å
331	R	91.8	Very high	96.2	Very high	129 Å²	129	28.1 Å²	28.1	49%	0.487	14%	0.139	S	C	.	.	S	Bend	trans	-58	146.8	170.1	-60.7	-168.2	-57.1	-140.4	-2.9	109.8	E333	R331-E333 HydrophobicContact CB-CG 4.32Å; R331-E333 IonicContact CZ-OE1 2.72Å; R331-E333 IonicContact NE-OE1 3.09Å; R331-E333 PolarHBondContact NE-OE1 3.47Å; R331-E333 IonicContact NH2-OE1 2.72Å; R331-E333 PolarHBondContact NH2-OE1 3.21Å; R331-E333 IonicContact NH2-OE2 3.05Å; R331-E333 PolarHBondContact O-N 2.87Å
332	Y	94.9	Very high	96.4	Very high	59 Å²	59	23.8 Å²	23.8	23%	0.231	12%	0.116	C	C	.	.	S	Bend	trans	-75.8	79.2	178.3	-160	162.5	0	0	0	111.1	F334 M368 P369 A370 D454 I456 F477	Y332-F334 HydrophobicContact CE2-CB 4.45Å; Y332-M368 HydrophobicContact CD1-CB 4.4Å; Y332-M368 HydrophobicContact CD2-CB 4.45Å; Y332-M368 HydrophobicContact CD2-SD 4.33Å; Y332-M368 HydrophobicContact CG-CB 4.13Å; Y332-P369 VanDerWaalsContact CB-O 3.31Å; Y332-P369 WeakPolarHBondContact CB-O 3.43Å; Y332-A370 HydrophobicContact CD1-CB 3.46Å; Y332-A370 VanDerWaalsContact CD1-CB 3.46Å; Y332-A370 HydrophobicContact CE1-CB 3.5Å; Y332-A370 VanDerWaalsContact CE1-CB 3.5Å; Y332-D454 WeakPolarHBondContact CE1-OD2 3.28Å; Y332-D454 PolarHBondContact OH-OD1 3.4Å; Y332-D454 VanDerWaalsContact OH-OD1 3.07Å; Y332-D454 PolarHBondContact OH-OD2 2.84Å; Y332-I456 HydrophobicContact CE2-CD1 3.78Å; Y332-I456 HydrophobicContact CE2-CG1 4.04Å; Y332-I456 WeakPolarHBondContact OH-CG1 3.5Å; Y332-F477 HydrophobicContact CD1-CZ 4.47Å; Y332-F477 HydrophobicContact CE1-CE1 4.48Å; Y332-F477 HydrophobicContact CE1-CE2 4.49Å; Y332-F477 AromaticContact CE1-CZ 3.66Å; Y332-F477 HydrophobicContact CE1-CZ 3.66Å; Y332-F477 AromaticContact CZ-CZ 3.99Å
333	E	93.4	Very high	96.5	Very high	31 Å²	31	20 Å²	20	15%	0.145	10%	0.099	C	C	.	.			trans	-122.1	87.9	172.8	-58.4	176.5	-164.5	0	0	108.5	R211 R331 S335 N336 K337	R211-E333 IonicContact NH2-OE1 3.78Å; R331-E333 HydrophobicContact CB-CG 4.32Å; R331-E333 IonicContact CZ-OE1 2.72Å; R331-E333 IonicContact NE-OE1 3.09Å; R331-E333 PolarHBondContact NE-OE1 3.47Å; R331-E333 IonicContact NH2-OE1 2.72Å; R331-E333 PolarHBondContact NH2-OE1 3.21Å; R331-E333 IonicContact NH2-OE2 3.05Å; R331-E333 PolarHBondContact O-N 2.87Å; E333-S335 PolarHBondContact O-N 3.12Å; E333-N336 HydrophobicContact CB-CB 3.85Å; E333-N336 PolarHBondContact O-N 2.91Å; E333-N336 WeakPolarHBondContact OE2-CB 3.38Å; E333-N336 PolarHBondContact OE2-ND2 3.47Å; E333-K337 HydrophobicContact CB-CG 4.35Å; E333-K337 WeakPolarHBondContact O-CB 3.43Å; E333-K337 PolarHBondContact O-N 3.02Å
334	F	94.6	Very high	96.5	Very high	39 Å²	39	22.5 Å²	22.5	17%	0.171	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-51.5	-166.5	-177.6	-116.7	0	0	0	114	Y332 G338 A339 D340 L343 P455 I456 T459	Y332-F334 HydrophobicContact CE2-CB 4.45Å; F334-G338 PolarHBondContact O-N 2.82Å; F334-A339 HydrophobicContact CD2-CB 3.68Å; F334-A339 HydrophobicContact CE2-CB 3.97Å; F334-A339 WeakPolarHBondContact O-CB 3.35Å; F334-A339 PolarHBondContact O-N 3.3Å; F334-D340 HydrophobicContact CD1-CB 4.25Å; F334-D340 HydrophobicContact CE1-CB 3.62Å; F334-D340 HydrophobicContact CE2-CB 4.33Å; F334-D340 HydrophobicContact CZ-CB 3.65Å; F334-L343 HydrophobicContact CE2-CD1 4.06Å; F334-P455 HydrophobicContact CB-CB 4.06Å; F334-P455 HydrophobicContact CB-CG 4.47Å; F334-P455 HydrophobicContact CD1-CB 3.6Å; F334-P455 HydrophobicContact CD2-CB 3.77Å; F334-P455 HydrophobicContact CE1-CB 3.88Å; F334-P455 HydrophobicContact CE2-CB 4.07Å; F334-P455 HydrophobicContact CG-CB 3.53Å; F334-P455 HydrophobicContact CG-CG 4.43Å; F334-P455 HydrophobicContact CZ-CB 4.12Å; F334-I456 HydrophobicContact CD2-CG1 3.79Å; F334-I456 HydrophobicContact CE2-CG1 3.88Å; F334-T459 WeakPolarHBondContact CZ-OG1 3.23Å
335	S	92.9	Very high	96.5	Very high	56 Å²	56	22.4 Å²	22.4	39%	0.392	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-39.4	-179.6	-60.1	0	0	0	0	113.4	E333 K337 G338 D340	E333-S335 PolarHBondContact O-N 3.12Å; S335-K337 VanDerWaalsContact C-N 3.35Å; S335-K337 PolarHBondContact O-N 3Å; S335-G338 PolarHBondContact O-N 3.36Å; S335-D340 PolarHBondContact OG-OD2 3.5Å
336	N	93.4	Very high	96.5	Very high	9 Å²	9	22.4 Å²	22.4	5%	0.048	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-40.5	-179.5	-68.7	-8.7	0	0	0	112	E333 G338 S507 Y508 Y509	E333-N336 HydrophobicContact CB-CB 3.85Å; E333-N336 PolarHBondContact O-N 2.91Å; E333-N336 WeakPolarHBondContact OE2-CB 3.38Å; E333-N336 PolarHBondContact OE2-ND2 3.47Å; N336-G338 VanDerWaalsContact C-N 3.28Å; N336-S507 CarbonylContact O-C 3.55Å; N336-S507 VanDerWaalsContact O-CA 3.31Å; N336-S507 WeakPolarHBondContact O-CA 3.49Å; N336-Y508 PolarHBondContact O-N 2.83Å; N336-Y509 PolarHBondContact O-N 3.17Å
337	K	95.8	Very high	96.4	Very high	27 Å²	27	23.5 Å²	23.5	12%	0.117	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-5.8	174.7	-67.2	-54.4	-168.1	-174.7	0	113.5	I328 E333 S335 M368 E510	I328-K337 WeakPolarHBondContact CD1-O 3.29Å; E333-K337 HydrophobicContact CB-CG 4.35Å; E333-K337 WeakPolarHBondContact O-CB 3.43Å; E333-K337 PolarHBondContact O-N 3.02Å; S335-K337 VanDerWaalsContact C-N 3.35Å; S335-K337 PolarHBondContact O-N 3Å; K337-M368 HydrophobicContact CB-CE 3.93Å; K337-E510 IonicContact NZ-OE1 2.78Å; K337-E510 PolarHBondContact NZ-OE1 3.01Å
338	G	96.6	Very high	96.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	26	177.3	0	0	0	0	0	114.2	F334 S335 N336 D340 V341 F342 P506	F334-G338 PolarHBondContact O-N 2.82Å; S335-G338 PolarHBondContact O-N 3.36Å; N336-G338 VanDerWaalsContact C-N 3.28Å; G338-D340 VanDerWaalsContact CA-OD1 3.24Å; G338-D340 WeakPolarHBondContact CA-OD1 3.39Å; G338-D340 PolarHBondContact O-N 3.37Å; G338-V341 PolarHBondContact O-N 3.19Å; G338-F342 PolarHBondContact O-N 3.24Å; G338-P506 WeakPolarHBondContact CA-O 3.42Å; G338-P506 VanDerWaalsContact O-CG 3.28Å; G338-P506 WeakPolarHBondContact O-CG 3.42Å
339	A	97.8	Very high	96.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.8	-30.4	176.9	0	0	0	0	0	111.7	I328 F334 L343 F366 M368	I328-A339 HydrophobicContact CD1-CB 4.45Å; F334-A339 HydrophobicContact CD2-CB 3.68Å; F334-A339 HydrophobicContact CE2-CB 3.97Å; F334-A339 WeakPolarHBondContact O-CB 3.35Å; F334-A339 PolarHBondContact O-N 3.3Å; A339-L343 WeakPolarHBondContact O-CB 3.28Å; A339-L343 VanDerWaalsContact O-CG 3.29Å; A339-L343 WeakPolarHBondContact O-CG 3.35Å; A339-L343 PolarHBondContact O-N 3.29Å; A339-F366 HydrophobicContact CB-CD1 4.47Å; A339-F366 HydrophobicContact CB-CE1 4.23Å; A339-M368 HydrophobicContact CB-CE 4.05Å; A339-M368 HydrophobicContact CB-SD 4.25Å
340	D	96.7	Very high	96.5	Very high	38 Å²	38	26.5 Å²	26.5	20%	0.203	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-53.2	169.7	51	-4.2	0	0	0	112.6	F334 S335 G338 F342 L343 E344	F334-D340 HydrophobicContact CD1-CB 4.25Å; F334-D340 HydrophobicContact CE1-CB 3.62Å; F334-D340 HydrophobicContact CE2-CB 4.33Å; F334-D340 HydrophobicContact CZ-CB 3.65Å; S335-D340 PolarHBondContact OG-OD2 3.5Å; G338-D340 VanDerWaalsContact CA-OD1 3.24Å; G338-D340 WeakPolarHBondContact CA-OD1 3.39Å; G338-D340 PolarHBondContact O-N 3.37Å; D340-F342 VanDerWaalsContact C-N 3.32Å; D340-F342 PolarHBondContact O-N 3.39Å; D340-L343 PolarHBondContact O-N 3.36Å; D340-E344 PolarHBondContact O-N 3.26Å; D340-E344 VanDerWaalsContact O-N 3.1Å
341	V	97.9	Very high	96.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-40.3	178.1	176.6	0	0	0	0	110.9	G338 A345 P506 L553 L560 L567	G338-V341 PolarHBondContact O-N 3.19Å; V341-A345 WeakPolarHBondContact O-CB 3.4Å; V341-A345 PolarHBondContact O-N 2.79Å; V341-P506 HydrophobicContact CB-CG 4.43Å; V341-P506 HydrophobicContact CG1-CB 4.25Å; V341-L553 HydrophobicContact CG1-CD2 4.5Å; V341-L560 HydrophobicContact CG2-CD1 3.64Å; V341-L567 HydrophobicContact CG1-CD2 3.85Å
342	F	98.7	Very high	97.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-46.1	178.7	-174.1	-147.3	0	0	0	112.1	F326 I328 G338 D340 E344 A345 L346 A364 F366 V504 P506 L571	F326-F342 HydrophobicContact CB-CZ 4.22Å; I328-F342 HydrophobicContact CB-CD1 3.93Å; I328-F342 HydrophobicContact CB-CE1 4.04Å; I328-F342 HydrophobicContact CD1-CD1 4.45Å; I328-F342 HydrophobicContact CG2-CD1 3.74Å; I328-F342 HydrophobicContact CG2-CE1 3.91Å; G338-F342 PolarHBondContact O-N 3.24Å; D340-F342 VanDerWaalsContact C-N 3.32Å; D340-F342 PolarHBondContact O-N 3.39Å; F342-E344 PolarHBondContact O-N 3.4Å; F342-A345 PolarHBondContact O-N 3.34Å; F342-L346 HydrophobicContact CD1-CD1 4.24Å; F342-L346 HydrophobicContact CD2-CD1 4.08Å; F342-L346 HydrophobicContact CD2-CD2 4.37Å; F342-L346 HydrophobicContact CD2-CG 3.89Å; F342-L346 HydrophobicContact CE1-CD1 4Å; F342-L346 HydrophobicContact CE2-CD1 3.83Å; F342-L346 HydrophobicContact CE2-CD2 3.67Å; F342-L346 HydrophobicContact CE2-CG 3.66Å; F342-L346 HydrophobicContact CG-CD1 4.28Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.03Å; F342-L346 HydrophobicContact CZ-CG 4.11Å; F342-L346 WeakPolarHBondContact O-CB 3.13Å; F342-L346 VanDerWaalsContact O-CG 3.25Å; F342-L346 WeakPolarHBondContact O-CG 3.32Å; F342-L346 PolarHBondContact O-N 3.21Å; F342-A364 HydrophobicContact CE1-CB 4.48Å; F342-A364 HydrophobicContact CZ-CB 4.18Å; F342-F366 AromaticContact CD1-CE1 3.7Å; F342-F366 HydrophobicContact CD1-CE1 3.7Å; F342-F366 HydrophobicContact CD1-CE2 4.16Å; F342-F366 AromaticContact CD1-CZ 3.41Å; F342-F366 HydrophobicContact CD1-CZ 3.41Å; F342-F366 VanDerWaalsContact CD1-CZ 3.41Å; F342-F366 HydrophobicContact CE1-CE1 4.35Å; F342-F366 HydrophobicContact CE1-CE2 4.09Å; F342-F366 AromaticContact CE1-CZ 3.8Å; F342-F366 HydrophobicContact CE1-CZ 3.8Å; F342-F366 HydrophobicContact CG-CZ 4.23Å; F342-V504 HydrophobicContact CD2-CB 4.11Å; F342-V504 HydrophobicContact CD2-CG1 3.47Å; F342-V504 VanDerWaalsContact CD2-CG1 3.47Å; F342-V504 HydrophobicContact CE1-CB 4.33Å; F342-V504 HydrophobicContact CE2-CB 3.74Å; F342-V504 HydrophobicContact CE2-CG1 3.53Å; F342-V504 HydrophobicContact CE2-CG2 3.91Å; F342-V504 HydrophobicContact CG-CG1 4.05Å; F342-V504 HydrophobicContact CZ-CB 3.86Å; F342-V504 HydrophobicContact CZ-CG1 4.15Å; F342-V504 HydrophobicContact CZ-CG2 4.05Å; F342-P506 HydrophobicContact CB-CG 4.06Å; F342-L571 HydrophobicContact CD2-CD1 4.5Å; F342-L571 HydrophobicContact CE2-CD1 4.22Å
343	L	98.6	Very high	97.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.7	-43.5	177.3	-77.3	168.9	0	0	0	112.2	F334 A339 D340 L346 A347 F366 I456 T459 I460 I463	F334-L343 HydrophobicContact CE2-CD1 4.06Å; A339-L343 WeakPolarHBondContact O-CB 3.28Å; A339-L343 VanDerWaalsContact O-CG 3.29Å; A339-L343 WeakPolarHBondContact O-CG 3.35Å; A339-L343 PolarHBondContact O-N 3.29Å; D340-L343 PolarHBondContact O-N 3.36Å; L343-L346 PolarHBondContact O-N 3.35Å; L343-A347 PolarHBondContact O-N 3.36Å; L343-A347 VanDerWaalsContact O-N 3.08Å; L343-F366 HydrophobicContact CD1-CE1 4.34Å; L343-F366 HydrophobicContact CD1-CZ 4.47Å; L343-F366 HydrophobicContact CD2-CE1 4.02Å; L343-F366 HydrophobicContact CD2-CE2 3.81Å; L343-F366 HydrophobicContact CD2-CZ 3.36Å; L343-F366 HydrophobicContact CG-CE1 3.8Å; L343-F366 HydrophobicContact CG-CE2 4.47Å; L343-F366 HydrophobicContact CG-CZ 3.55Å; L343-I456 HydrophobicContact CD1-CG2 4.36Å; L343-T459 HydrophobicContact CB-CG2 3.86Å; L343-T459 HydrophobicContact CD1-CG2 3.63Å; L343-T459 HydrophobicContact CG-CG2 4.36Å; L343-I460 HydrophobicContact CD1-CG1 4.48Å; L343-I460 HydrophobicContact CD2-CD1 4.35Å; L343-I460 HydrophobicContact CD2-CG1 3.75Å; L343-I463 HydrophobicContact CB-CD1 4.07Å; L343-I463 HydrophobicContact CD2-CD1 4.32Å
344	E	98.4	Very high	97.4	Very high	52 Å²	52	31.2 Å²	31.2	24%	0.243	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-46.1	175.9	180	58.5	-153.4	0	0	111.4	D340 F342 L346 A347 R348 C564	D340-E344 PolarHBondContact O-N 3.26Å; D340-E344 VanDerWaalsContact O-N 3.1Å; F342-E344 PolarHBondContact O-N 3.4Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 2.93Å; E344-A347 PolarHBondContact O-N 3.05Å; E344-R348 PolarHBondContact O-N 3.26Å; E344-R348 VanDerWaalsContact O-N 3.15Å; E344-R348 IonicContact OE1-CZ 2.89Å; E344-R348 IonicContact OE1-NE 3.14Å; E344-R348 PolarHBondContact OE1-NE 3.03Å; E344-R348 IonicContact OE1-NH2 2.79Å; E344-R348 PolarHBondContact OE1-NH2 3.43Å; E344-C564 HydrophobicContact CG-CB 4.18Å
345	A	98.7	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-34	177.8	0	0	0	0	0	113	V341 F342 R348 L349 L567 T568 L571	V341-A345 WeakPolarHBondContact O-CB 3.4Å; V341-A345 PolarHBondContact O-N 2.79Å; F342-A345 PolarHBondContact O-N 3.34Å; A345-R348 PolarHBondContact O-N 3.49Å; A345-L349 VanDerWaalsContact O-CB 3.31Å; A345-L349 WeakPolarHBondContact O-CB 3.22Å; A345-L349 PolarHBondContact O-N 2.95Å; A345-L567 HydrophobicContact CB-CB 4.01Å; A345-L567 HydrophobicContact CB-CD2 3.58Å; A345-L567 HydrophobicContact CB-CG 3.66Å; A345-T568 WeakPolarHBondContact CA-OG1 3.29Å; A345-T568 PolarHBondContact O-OG1 2.94Å; A345-L571 HydrophobicContact CB-CD1 4.2Å
346	L	98.8	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-37.5	174.2	-73.7	173	0	0	0	112.2	F342 L343 E344 L349 N350 A364 F366 L465 V473 L571	F342-L346 HydrophobicContact CD1-CD1 4.24Å; F342-L346 HydrophobicContact CD2-CD1 4.08Å; F342-L346 HydrophobicContact CD2-CD2 4.37Å; F342-L346 HydrophobicContact CD2-CG 3.89Å; F342-L346 HydrophobicContact CE1-CD1 4Å; F342-L346 HydrophobicContact CE2-CD1 3.83Å; F342-L346 HydrophobicContact CE2-CD2 3.67Å; F342-L346 HydrophobicContact CE2-CG 3.66Å; F342-L346 HydrophobicContact CG-CD1 4.28Å; F342-L346 HydrophobicContact CZ-CD1 3.8Å; F342-L346 HydrophobicContact CZ-CD2 4.03Å; F342-L346 HydrophobicContact CZ-CG 4.11Å; F342-L346 WeakPolarHBondContact O-CB 3.13Å; F342-L346 VanDerWaalsContact O-CG 3.25Å; F342-L346 WeakPolarHBondContact O-CG 3.32Å; F342-L346 PolarHBondContact O-N 3.21Å; L343-L346 PolarHBondContact O-N 3.35Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 2.93Å; L346-L349 HydrophobicContact CD2-CD2 4.35Å; L346-L349 PolarHBondContact O-N 3.42Å; L346-N350 WeakPolarHBondContact O-CB 3.34Å; L346-N350 PolarHBondContact O-N 3.48Å; L346-A364 HydrophobicContact CD1-CB 3.58Å; L346-A364 HydrophobicContact CD2-CB 3.98Å; L346-A364 HydrophobicContact CG-CB 4.46Å; L346-F366 HydrophobicContact CD1-CE2 3.97Å; L346-F366 HydrophobicContact CD1-CZ 3.99Å; L346-L465 HydrophobicContact CB-CD1 4.21Å; L346-V473 HydrophobicContact CB-CG1 4.15Å; L346-V473 HydrophobicContact CD2-CG1 3.81Å; L346-V473 HydrophobicContact CG-CG1 4.44Å; L346-L571 HydrophobicContact CD2-CD1 4.43Å
347	A	98.6	Very high	97.8	Very high	22 Å²	22	38.3 Å²	38.3	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-45.1	174.8	0	0	0	0	0	111.5	L343 E344 L349 N350 Y351 I463 L465	L343-A347 PolarHBondContact O-N 3.36Å; L343-A347 VanDerWaalsContact O-N 3.08Å; E344-A347 PolarHBondContact O-N 3.05Å; A347-L349 PolarHBondContact O-N 3.19Å; A347-N350 WeakPolarHBondContact O-CB 3.33Å; A347-N350 PolarHBondContact O-N 2.99Å; A347-Y351 PolarHBondContact O-N 2.64Å; A347-Y351 VanDerWaalsContact O-N 3.13Å; A347-I463 HydrophobicContact CB-CB 4.08Å; A347-I463 HydrophobicContact CB-CD1 4.24Å; A347-I463 HydrophobicContact CB-CG1 4.45Å; A347-L465 HydrophobicContact CB-CD1 4.42Å
348	R	98.6	Very high	97.8	Very high	61 Å²	61	38.3 Å²	38.3	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-42.1	174.1	-63.3	176.4	-169.2	-156.3	-2.6	111.7	E344 A345 N350 Y351 L352 D561 S565 T568	E344-R348 PolarHBondContact O-N 3.26Å; E344-R348 VanDerWaalsContact O-N 3.15Å; E344-R348 IonicContact OE1-CZ 2.89Å; E344-R348 IonicContact OE1-NE 3.14Å; E344-R348 PolarHBondContact OE1-NE 3.03Å; E344-R348 IonicContact OE1-NH2 2.79Å; E344-R348 PolarHBondContact OE1-NH2 3.43Å; A345-R348 PolarHBondContact O-N 3.49Å; R348-N350 PolarHBondContact O-N 2.78Å; R348-Y351 WeakPolarHBondContact O-CB 3.22Å; R348-Y351 PolarHBondContact O-N 3.23Å; R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 3.24Å; R348-D561 IonicContact CZ-OD1 2.99Å; R348-D561 VanDerWaalsContact CZ-OD1 3.25Å; R348-D561 PolarHBondContact NH1-O 3.29Å; R348-D561 IonicContact NH1-OD1 2.85Å; R348-D561 PolarHBondContact NH1-OD1 3.13Å; R348-D561 IonicContact NH1-OD2 3.55Å; R348-D561 IonicContact NH2-OD1 3.85Å; R348-D561 PolarHBondContact NH2-OD1 3.27Å; R348-S565 PolarHBondContact NH1-OG 2.99Å; R348-T568 HydrophobicContact CB-CG2 3.76Å; R348-T568 WeakPolarHBondContact CB-OG1 3.42Å
349	L	98.7	Very high	97.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.6	-43.1	174.7	179.4	66.2	0	0	0	111.8	F326 A345 L346 A347 Y351 L352 L353 V362 V473 L571 Y572	F326-L349 HydrophobicContact CE2-CD2 4.25Å; A345-L349 VanDerWaalsContact O-CB 3.31Å; A345-L349 WeakPolarHBondContact O-CB 3.22Å; A345-L349 PolarHBondContact O-N 2.95Å; L346-L349 HydrophobicContact CD2-CD2 4.35Å; L346-L349 PolarHBondContact O-N 3.42Å; A347-L349 PolarHBondContact O-N 3.19Å; L349-Y351 VanDerWaalsContact C-N 3.31Å; L349-Y351 PolarHBondContact O-N 2.86Å; L349-L352 PolarHBondContact O-N 3.13Å; L349-L353 HydrophobicContact CD1-CD1 4.12Å; L349-L353 HydrophobicContact CD1-CG 4.05Å; L349-L353 HydrophobicContact CD2-CD1 4.47Å; L349-L353 HydrophobicContact CG-CD1 3.92Å; L349-L353 HydrophobicContact CG-CG 4.25Å; L349-L353 WeakPolarHBondContact O-CB 3.46Å; L349-L353 WeakPolarHBondContact O-CG 3.46Å; L349-L353 PolarHBondContact O-N 3.41Å; L349-V362 HydrophobicContact CD2-CG2 4.24Å; L349-V473 HydrophobicContact CB-CG2 4.33Å; L349-V473 HydrophobicContact CD2-CG2 3.98Å; L349-V473 HydrophobicContact CG-CG2 3.97Å; L349-L571 HydrophobicContact CD1-CB 4.27Å; L349-L571 HydrophobicContact CD2-CB 3.9Å; L349-L571 HydrophobicContact CD2-CD1 4.3Å; L349-Y572 HydrophobicContact CD1-CD2 4.08Å; L349-Y572 HydrophobicContact CD1-CG 4.5Å
350	N	98.6	Very high	97.7	Very high	10 Å²	10	46 Å²	46	5%	0.053	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-45.6	176.8	-171.3	42.9	0	0	0	111.2	L346 A347 R348 R354 L465 D471 R472 V473	L346-N350 WeakPolarHBondContact O-CB 3.34Å; L346-N350 PolarHBondContact O-N 3.48Å; A347-N350 WeakPolarHBondContact O-CB 3.33Å; A347-N350 PolarHBondContact O-N 2.99Å; R348-N350 PolarHBondContact O-N 2.78Å; N350-R354 WeakPolarHBondContact O-CB 3.42Å; N350-R354 WeakPolarHBondContact O-CG 3.43Å; N350-R354 PolarHBondContact O-N 2.96Å; N350-L465 HydrophobicContact CB-CD2 3.97Å; N350-L465 WeakPolarHBondContact ND2-CD2 3.19Å; N350-D471 PolarHBondContact ND2-OD1 2.82Å; N350-D471 WeakPolarHBondContact OD1-CA 3.49Å; N350-R472 PolarHBondContact OD1-N 3.12Å; N350-V473 HydrophobicContact CB-CB 3.97Å; N350-V473 HydrophobicContact CB-CG2 3.85Å; N350-V473 PolarHBondContact OD1-N 3.05Å; N350-V473 VanDerWaalsContact OD1-N 3.12Å
351	Y	98.4	Very high	97.8	Very high	153 Å²	153	44.3 Å²	44.3	60%	0.6	22%	0.224	S	C	*	.	H	α-helix	trans	-59.1	-50.6	175	176.9	-97.2	0	0	0	111.7	A347 R348 L349 L353 R354 V355	A347-Y351 PolarHBondContact O-N 2.64Å; A347-Y351 VanDerWaalsContact O-N 3.13Å; R348-Y351 WeakPolarHBondContact O-CB 3.22Å; R348-Y351 PolarHBondContact O-N 3.23Å; L349-Y351 VanDerWaalsContact C-N 3.31Å; L349-Y351 PolarHBondContact O-N 2.86Å; Y351-L353 PolarHBondContact O-N 3.14Å; Y351-R354 PolarHBondContact O-N 3.43Å; Y351-V355 HydrophobicContact CD1-CG2 4.26Å; Y351-V355 HydrophobicContact CD2-CG2 4.08Å; Y351-V355 HydrophobicContact CE1-CG2 3.87Å; Y351-V355 HydrophobicContact CE2-CG2 3.68Å; Y351-V355 HydrophobicContact CG-CG2 4.36Å; Y351-V355 WeakPolarHBondContact O-CG2 3.39Å; Y351-V355 PolarHBondContact O-N 3.35Å
352	L	98.3	Very high	97.8	Very high	56 Å²	56	44.2 Å²	44.2	29%	0.293	22%	0.223	S	C	.	.	H	α-helix	trans	-60.6	-42.9	-180	-70	177.6	0	0	0	112.9	R348 L349 R354 N356 T568 Y572	R348-L352 WeakPolarHBondContact O-CG 3.43Å; R348-L352 PolarHBondContact O-N 3.24Å; L349-L352 PolarHBondContact O-N 3.13Å; L352-R354 VanDerWaalsContact C-N 3.32Å; L352-R354 PolarHBondContact O-N 2.86Å; L352-N356 WeakPolarHBondContact O-CB 3.31Å; L352-N356 PolarHBondContact O-N 2.66Å; L352-N356 VanDerWaalsContact O-N 3.11Å; L352-N356 PolarHBondContact O-ND2 3.04Å; L352-T568 HydrophobicContact CD1-CG2 3.57Å; L352-Y572 HydrophobicContact CB-CD2 3.98Å; L352-Y572 HydrophobicContact CB-CE2 4.08Å; L352-Y572 HydrophobicContact CD1-CD2 4.33Å; L352-Y572 HydrophobicContact CD1-CG 4.28Å
353	L	98.1	Very high	97.8	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-35.6	178.5	-69.3	175.8	0	0	0	111.8	L349 Y351 A357 S358 V362 R472 V473 Y572 C575	L349-L353 HydrophobicContact CD1-CD1 4.12Å; L349-L353 HydrophobicContact CD1-CG 4.05Å; L349-L353 HydrophobicContact CD2-CD1 4.47Å; L349-L353 HydrophobicContact CG-CD1 3.92Å; L349-L353 HydrophobicContact CG-CG 4.25Å; L349-L353 WeakPolarHBondContact O-CB 3.46Å; L349-L353 WeakPolarHBondContact O-CG 3.46Å; L349-L353 PolarHBondContact O-N 3.41Å; Y351-L353 PolarHBondContact O-N 3.14Å; L353-A357 PolarHBondContact O-N 3.01Å; L353-S358 WeakPolarHBondContact O-CB 3.29Å; L353-S358 PolarHBondContact O-N 3.26Å; L353-V362 HydrophobicContact CD1-CG2 4.22Å; L353-R472 HydrophobicContact CB-CB 3.67Å; L353-R472 HydrophobicContact CB-CG 4.03Å; L353-R472 HydrophobicContact CD1-CB 4.04Å; L353-V473 HydrophobicContact CD1-CG2 4.04Å; L353-Y572 HydrophobicContact CD2-CD2 4.14Å; L353-Y572 HydrophobicContact CD2-CE2 4.12Å; L353-C575 HydrophobicContact CD2-CB 4.31Å
354	R	97.3	Very high	97.8	Very high	130 Å²	130	44.2 Å²	44.2	49%	0.491	22%	0.223	S	C	.	.	H	α-helix	trans	-70.9	-48.6	177.3	-73.5	174.3	63.2	-174.1	-2.8	112.3	N350 Y351 L352 N356 A357 A470 R472	N350-R354 WeakPolarHBondContact O-CB 3.42Å; N350-R354 WeakPolarHBondContact O-CG 3.43Å; N350-R354 PolarHBondContact O-N 2.96Å; Y351-R354 PolarHBondContact O-N 3.43Å; L352-R354 VanDerWaalsContact C-N 3.32Å; L352-R354 PolarHBondContact O-N 2.86Å; R354-N356 VanDerWaalsContact C-N 3.3Å; R354-N356 PolarHBondContact O-N 3.35Å; R354-A357 PolarHBondContact O-N 2.83Å; R354-A470 VanDerWaalsContact CD-O 3.32Å; R354-A470 WeakPolarHBondContact CD-O 3.42Å; R354-A470 PolarHBondContact NE-O 2.82Å; R354-R472 HydrophobicContact CG-CB 4.48Å; R354-R472 HydrophobicContact CG-CG 3.91Å
355	V	97.3	Very high	97.8	Very high	90 Å²	90	41.8 Å²	41.8	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-37.3	-178.3	172.8	0	0	0	0	111.4	Y351 A357	Y351-V355 HydrophobicContact CD1-CG2 4.26Å; Y351-V355 HydrophobicContact CD2-CG2 4.08Å; Y351-V355 HydrophobicContact CE1-CG2 3.87Å; Y351-V355 HydrophobicContact CE2-CG2 3.68Å; Y351-V355 HydrophobicContact CG-CG2 4.36Å; Y351-V355 WeakPolarHBondContact O-CG2 3.39Å; Y351-V355 PolarHBondContact O-N 3.35Å; V355-A357 PolarHBondContact O-N 2.96Å
356	N	96.8	Very high	97.8	Very high	88 Å²	88	41.8 Å²	41.8	47%	0.471	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	8.9	175.6	-65.4	-57.8	0	0	0	113.6	L352 R354 S358 Y572	L352-N356 WeakPolarHBondContact O-CB 3.31Å; L352-N356 PolarHBondContact O-N 2.66Å; L352-N356 VanDerWaalsContact O-N 3.11Å; L352-N356 PolarHBondContact O-ND2 3.04Å; R354-N356 VanDerWaalsContact C-N 3.3Å; R354-N356 PolarHBondContact O-N 3.35Å; N356-S358 PolarHBondContact O-N 3.34Å; N356-Y572 PolarHBondContact ND2-OH 3.31Å; N356-Y572 VanDerWaalsContact ND2-OH 3.08Å
357	A	95.3	Very high	97.8	Very high	75 Å²	75	42.1 Å²	42.1	62%	0.62	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	36.6	-178.4	0	0	0	0	0	113.9	L353 R354 V355	L353-A357 PolarHBondContact O-N 3.01Å; R354-A357 PolarHBondContact O-N 2.83Å; V355-A357 PolarHBondContact O-N 2.96Å
358	S	95.4	Very high	97.7	Very high	26 Å²	26	41.1 Å²	41.1	18%	0.182	21%	0.205	C	C	.	.			trans	-62.6	139.8	-178.2	-176.1	0	0	0	0	110.7	L353 N356 Q360 R472	L353-S358 WeakPolarHBondContact O-CB 3.29Å; L353-S358 PolarHBondContact O-N 3.26Å; N356-S358 PolarHBondContact O-N 3.34Å; S358-Q360 VanDerWaalsContact C-N 3.29Å; S358-Q360 PolarHBondContact OG-N 3.02Å; S358-R472 PolarHBondContact O-NE 2.81Å; S358-R472 PolarHBondContact O-NH2 3.45Å
359	E	95	Very high	97.6	Very high	129 Å²	129	40 Å²	40	60%	0.603	21%	0.205	S	C	*	.			trans	-83.2	-9.7	173	-59.8	-174.7	144.2	0	0	112.5	K322	K322-E359 HydrophobicContact CD-CB 4.13Å; K322-E359 IonicContact NZ-OE2 3.52Å; K322-E359 PolarHBondContact NZ-OE2 3.22Å
360	Q	96.9	Very high	97.4	Very high	34 Å²	34	41.2 Å²	41.2	16%	0.159	22%	0.216	C	C	.	.			trans	-72.3	139.3	177.9	-62.4	-69.5	-1	0	0	110.5	K322 S358 C575	K322-Q360 WeakPolarHBondContact O-CA 3.46Å; K322-Q360 PolarHBondContact O-OE1 3.47Å; S358-Q360 VanDerWaalsContact C-N 3.29Å; S358-Q360 PolarHBondContact OG-N 3.02Å; Q360-C575 WeakPolarHBondContact CG-O 3.41Å
361	T	98.6	Very high	97.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	137.8	169.2	-57.6	0	0	0	0	109.1	F318 K322 T323 L324 R472 K474	F318-T361 HydrophobicContact CB-CG2 4.26Å; F318-T361 WeakPolarHBondContact CB-OG1 3.47Å; F318-T361 HydrophobicContact CD1-CG2 4.46Å; F318-T361 HydrophobicContact CD2-CG2 3.75Å; F318-T361 HydrophobicContact CE2-CG2 4.15Å; F318-T361 HydrophobicContact CG-CG2 3.91Å; K322-T361 PolarHBondContact O-N 2.92Å; T323-T361 CarbonylContact C-O 3.55Å; T323-T361 VanDerWaalsContact CA-O 3.22Å; T323-T361 WeakPolarHBondContact CA-O 3.49Å; T323-T361 HydrophobicContact CG2-CG2 4.49Å; L324-T361 PolarHBondContact N-O 2.99Å; T361-R472 CarbonylContact C-O 3.53Å; T361-R472 WeakPolarHBondContact CA-O 3.38Å; T361-K474 HydrophobicContact CG2-CG 4.22Å
362	V	98.8	Very high	97.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	131.6	173.3	176.4	0	0	0	0	108	L324 F326 L349 L353 R472 V473 K474	L324-V362 WeakPolarHBondContact O-CA 3.48Å; F326-V362 HydrophobicContact CB-CG1 4.36Å; F326-V362 HydrophobicContact CD1-CG1 4.48Å; F326-V362 HydrophobicContact CD2-CG1 3.38Å; F326-V362 HydrophobicContact CE2-CG1 3.66Å; F326-V362 HydrophobicContact CE2-CG2 4.03Å; F326-V362 HydrophobicContact CG-CG1 3.83Å; F326-V362 HydrophobicContact CZ-CG1 4.33Å; F326-V362 HydrophobicContact CZ-CG2 4.25Å; L349-V362 HydrophobicContact CD2-CG2 4.24Å; L353-V362 HydrophobicContact CD1-CG2 4.22Å; V362-R472 PolarHBondContact N-O 3.28Å; V362-V473 HydrophobicContact CB-CG1 4.44Å; V362-V473 HydrophobicContact CB-CG2 4.23Å; V362-V473 HydrophobicContact CG1-CG1 4.45Å; V362-V473 CarbonylContact O-C 3.24Å; V362-V473 WeakPolarHBondContact O-CA 3.35Å; V362-K474 PolarHBondContact O-N 3.22Å
363	V	98.9	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.4	167.4	179.1	0	0	0	0	107.2	T323 L324 Y325 F326 F365 K474 I476	T323-V363 HydrophobicContact CG2-CB 4.48Å; T323-V363 HydrophobicContact CG2-CG2 3.75Å; L324-V363 PolarHBondContact O-N 3.41Å; Y325-V363 WeakPolarHBondContact CA-O 3.43Å; Y325-V363 HydrophobicContact CD1-CB 3.88Å; Y325-V363 HydrophobicContact CD1-CG1 4.45Å; Y325-V363 HydrophobicContact CE1-CB 3.98Å; Y325-V363 HydrophobicContact CE1-CG2 4.21Å; F326-V363 PolarHBondContact N-O 2.99Å; V363-F365 HydrophobicContact CB-CE2 4.47Å; V363-F365 HydrophobicContact CG1-CD2 4.31Å; V363-F365 HydrophobicContact CG1-CE2 3.73Å; V363-F365 HydrophobicContact CG1-CZ 4.07Å; V363-K474 WeakPolarHBondContact CA-O 3.36Å; V363-K474 HydrophobicContact CG2-CB 4.13Å; V363-K474 HydrophobicContact CG2-CG 4.21Å; V363-I476 HydrophobicContact CG1-CD1 3.62Å; V363-I476 HydrophobicContact CG1-CG1 4.06Å
364	A	98.8	Very high	96.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.5	-177.7	0	0	0	0	0	110.9	F326 F342 L346 F366 K474 V475 I476	F326-A364 CarbonylContact O-C 3.53Å; F326-A364 VanDerWaalsContact O-CA 3.32Å; F326-A364 WeakPolarHBondContact O-CA 3.46Å; F342-A364 HydrophobicContact CE1-CB 4.48Å; F342-A364 HydrophobicContact CZ-CB 4.18Å; L346-A364 HydrophobicContact CD1-CB 3.58Å; L346-A364 HydrophobicContact CD2-CB 3.98Å; L346-A364 HydrophobicContact CG-CB 4.46Å; A364-F366 HydrophobicContact CB-CE2 4.45Å; A364-K474 PolarHBondContact N-O 2.97Å; A364-V475 WeakPolarHBondContact O-CA 3.17Å; A364-I476 PolarHBondContact O-N 3.06Å
365	F	98.8	Very high	96.3	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	135.6	178.1	-69.5	-95.9	0	0	0	111.5	I304 F307 V308 Y325 F326 F327 I328 V363 I367 I476 F496	I304-F365 HydrophobicContact CG2-CE2 4.08Å; I304-F365 HydrophobicContact CG2-CZ 3.89Å; F307-F365 HydrophobicContact CD1-CE1 4.04Å; F307-F365 HydrophobicContact CD1-CZ 4.22Å; F307-F365 AromaticContact CE1-CE1 3.72Å; F307-F365 HydrophobicContact CE1-CE1 3.72Å; F307-F365 HydrophobicContact CE1-CZ 4.24Å; V308-F365 HydrophobicContact CG2-CZ 4.22Å; Y325-F365 AromaticContact CD1-CE2 3.86Å; Y325-F365 HydrophobicContact CD1-CE2 3.86Å; Y325-F365 HydrophobicContact CE1-CE2 4.49Å; Y325-F365 HydrophobicContact CG-CE2 4.48Å; F326-F365 PolarHBondContact O-N 2.94Å; F327-F365 CarbonylContact C-O 3.51Å; F327-F365 VanDerWaalsContact CA-O 3.26Å; F327-F365 WeakPolarHBondContact CA-O 3.42Å; F327-F365 HydrophobicContact CB-CB 3.96Å; I328-F365 PolarHBondContact N-O 3.42Å; V363-F365 HydrophobicContact CB-CE2 4.47Å; V363-F365 HydrophobicContact CG1-CD2 4.31Å; V363-F365 HydrophobicContact CG1-CE2 3.73Å; V363-F365 HydrophobicContact CG1-CZ 4.07Å; F365-I367 HydrophobicContact CB-CD1 4.17Å; F365-I476 CarbonylContact C-O 3.5Å; F365-I476 VanDerWaalsContact CA-O 3.32Å; F365-I476 WeakPolarHBondContact CA-O 3.43Å; F365-I476 HydrophobicContact CD1-CB 4.03Å; F365-I476 HydrophobicContact CD1-CD1 4.38Å; F365-I476 HydrophobicContact CD1-CG2 4.2Å; F365-I476 HydrophobicContact CE1-CB 4.23Å; F365-I476 HydrophobicContact CE1-CD1 3.76Å; F365-I476 HydrophobicContact CE1-CG2 4.26Å; F365-I476 HydrophobicContact CZ-CD1 3.91Å; F365-F496 HydrophobicContact CB-CZ 3.7Å; F365-F496 HydrophobicContact CD1-CE2 4.03Å; F365-F496 HydrophobicContact CD1-CZ 4.05Å; F365-F496 HydrophobicContact CD2-CE2 4.2Å; F365-F496 AromaticContact CD2-CZ 3.95Å; F365-F496 HydrophobicContact CD2-CZ 3.95Å; F365-F496 HydrophobicContact CE1-CE2 4.22Å; F365-F496 HydrophobicContact CE2-CE2 4.4Å; F365-F496 HydrophobicContact CG-CE2 4.01Å; F365-F496 AromaticContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CZ-CE2 4.42Å
366	F	98.6	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	104.5	170.1	-70.3	-106.9	0	0	0	108	I328 A339 F342 L343 L346 A364 I456 V475 I476 F477 H478	I328-F366 HydrophobicContact CG2-CB 4.18Å; I328-F366 HydrophobicContact CG2-CD1 3.31Å; I328-F366 HydrophobicContact CG2-CD2 4.46Å; I328-F366 HydrophobicContact CG2-CE1 3.67Å; I328-F366 HydrophobicContact CG2-CG 3.74Å; I328-F366 HydrophobicContact CG2-CZ 4.36Å; A339-F366 HydrophobicContact CB-CD1 4.47Å; A339-F366 HydrophobicContact CB-CE1 4.23Å; F342-F366 AromaticContact CD1-CE1 3.7Å; F342-F366 HydrophobicContact CD1-CE1 3.7Å; F342-F366 HydrophobicContact CD1-CE2 4.16Å; F342-F366 AromaticContact CD1-CZ 3.41Å; F342-F366 HydrophobicContact CD1-CZ 3.41Å; F342-F366 VanDerWaalsContact CD1-CZ 3.41Å; F342-F366 HydrophobicContact CE1-CE1 4.35Å; F342-F366 HydrophobicContact CE1-CE2 4.09Å; F342-F366 AromaticContact CE1-CZ 3.8Å; F342-F366 HydrophobicContact CE1-CZ 3.8Å; F342-F366 HydrophobicContact CG-CZ 4.23Å; L343-F366 HydrophobicContact CD1-CE1 4.34Å; L343-F366 HydrophobicContact CD1-CZ 4.47Å; L343-F366 HydrophobicContact CD2-CE1 4.02Å; L343-F366 HydrophobicContact CD2-CE2 3.81Å; L343-F366 HydrophobicContact CD2-CZ 3.36Å; L343-F366 HydrophobicContact CG-CE1 3.8Å; L343-F366 HydrophobicContact CG-CE2 4.47Å; L343-F366 HydrophobicContact CG-CZ 3.55Å; L346-F366 HydrophobicContact CD1-CE2 3.97Å; L346-F366 HydrophobicContact CD1-CZ 3.99Å; A364-F366 HydrophobicContact CB-CE2 4.45Å; F366-I456 HydrophobicContact CB-CD1 4.49Å; F366-I456 HydrophobicContact CD1-CD1 4.09Å; F366-V475 HydrophobicContact CD2-CG1 3.88Å; F366-V475 HydrophobicContact CE2-CG1 3.78Å; F366-I476 PolarHBondContact N-O 3.05Å; F366-F477 HydrophobicContact CB-CB 4.48Å; F366-F477 HydrophobicContact CB-CD2 3.78Å; F366-F477 WeakPolarHBondContact O-CD2 3.21Å; F366-H478 CarbonylContact O-C 3.49Å; F366-H478 PolarHBondContact O-N 3.03Å
367	I	98.2	Very high	95.9	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.036	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	83	179.1	-47.2	-56.4	0	0	0	108.4	I328 A329 G330 F365 H478 L482 F496	I328-I367 PolarHBondContact O-N 3Å; A329-I367 VanDerWaalsContact CA-O 3.31Å; A329-I367 WeakPolarHBondContact CA-O 3.42Å; A329-I367 HydrophobicContact CB-CB 3.98Å; G330-I367 PolarHBondContact N-O 3.39Å; G330-I367 VanDerWaalsContact N-O 3.17Å; F365-I367 HydrophobicContact CB-CD1 4.17Å; I367-H478 HydrophobicContact CD1-CB 3.68Å; I367-L482 HydrophobicContact CD1-CD1 4.42Å; I367-L482 HydrophobicContact CD1-CD2 4.25Å; I367-L482 HydrophobicContact CD1-CG 4.5Å; I367-L482 HydrophobicContact CG1-CD1 4.35Å; I367-L482 HydrophobicContact CG2-CD1 4.29Å; I367-L482 HydrophobicContact CG2-CG 4.02Å; I367-F496 HydrophobicContact CD1-CE1 4.34Å; I367-F496 HydrophobicContact CD1-CZ 4.18Å; I367-F496 HydrophobicContact CG1-CE1 3.92Å; I367-F496 HydrophobicContact CG1-CZ 4.23Å
368	M	97.2	Very high	95.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.			trans	-134.4	103.6	-175.4	-68.4	-171.3	174.7	0	0	110.3	I328 Y332 K337 A339 A370 I456 F477 H478 P479	I328-M368 HydrophobicContact CB-CE 4.49Å; I328-M368 HydrophobicContact CD1-CE 3.56Å; I328-M368 HydrophobicContact CG1-CE 3.66Å; I328-M368 HydrophobicContact CG2-CE 4.1Å; Y332-M368 HydrophobicContact CD1-CB 4.4Å; Y332-M368 HydrophobicContact CD2-CB 4.45Å; Y332-M368 HydrophobicContact CD2-SD 4.33Å; Y332-M368 HydrophobicContact CG-CB 4.13Å; K337-M368 HydrophobicContact CB-CE 3.93Å; A339-M368 HydrophobicContact CB-CE 4.05Å; A339-M368 HydrophobicContact CB-SD 4.25Å; M368-A370 PolarHBondContact O-N 3.11Å; M368-I456 HydrophobicContact SD-CD1 3.96Å; M368-F477 HydrophobicContact CB-CE2 4.23Å; M368-H478 PolarHBondContact N-O 2.93Å; M368-P479 VanDerWaalsContact O-CA 3.29Å; M368-P479 WeakPolarHBondContact O-CA 3.47Å
369	P	95.3	Very high	95.6	Very high	37 Å²	37	42.1 Å²	42.1	24%	0.24	22%	0.215	C	C	.	.			trans	-55.9	125.9	-175.5	-26.3	33.8	0	0	0	112.8	G330 Y332 P479 F481	G330-P369 WeakPolarHBondContact O-CD 3.46Å; Y332-P369 VanDerWaalsContact CB-O 3.31Å; Y332-P369 WeakPolarHBondContact CB-O 3.43Å; P369-P479 WeakPolarHBondContact CA-O 3.32Å; P369-F481 HydrophobicContact CB-CD2 4.35Å; P369-F481 HydrophobicContact CB-CE2 4.12Å; P369-F481 HydrophobicContact CB-CZ 4.38Å; P369-F481 HydrophobicContact CG-CD1 3.77Å; P369-F481 HydrophobicContact CG-CD2 3.83Å; P369-F481 HydrophobicContact CG-CE1 3.59Å; P369-F481 HydrophobicContact CG-CE2 3.65Å; P369-F481 HydrophobicContact CG-CG 3.9Å; P369-F481 HydrophobicContact CG-CZ 3.54Å
370	A	95.8	Very high	95.5	Very high	27 Å²	27	39.2 Å²	39.2	22%	0.223	20%	0.203	C	C	.	.			trans	-130.5	176.5	-178.8	0	0	0	0	0	111.4	Y332 M368 T372 M448 F477 P479	Y332-A370 HydrophobicContact CD1-CB 3.46Å; Y332-A370 VanDerWaalsContact CD1-CB 3.46Å; Y332-A370 HydrophobicContact CE1-CB 3.5Å; Y332-A370 VanDerWaalsContact CE1-CB 3.5Å; M368-A370 PolarHBondContact O-N 3.11Å; A370-T372 PolarHBondContact O-N 3.08Å; A370-M448 HydrophobicContact CB-CE 3.42Å; A370-M448 VanDerWaalsContact CB-CE 3.42Å; A370-M448 HydrophobicContact CB-SD 4.3Å; A370-F477 HydrophobicContact CB-CZ 4.38Å; A370-P479 HydrophobicContact CB-CB 3.63Å; A370-P479 PolarHBondContact N-O 3.06Å
371	R	95.1	Very high	95.3	Very high	156 Å²	156	42.1 Å²	42.1	59%	0.589	22%	0.215	S	C	*	.			trans	-80.9	114.1	174.6	-48.9	-167.6	-48.8	172.7	8.9	109.9	L449 D450	R371-L449 HydrophobicContact CB-CB 4.34Å; R371-L449 HydrophobicContact CB-CD1 3.83Å; R371-L449 PolarHBondContact O-N 3.38Å; R371-D450 IonicContact CZ-OD2 3.17Å; R371-D450 IonicContact NE-OD2 2.75Å; R371-D450 PolarHBondContact NE-OD2 2.85Å; R371-D450 VanDerWaalsContact NH2-CG 3.28Å; R371-D450 IonicContact NH2-OD1 3.93Å; R371-D450 PolarHBondContact NH2-OD1 3.43Å; R371-D450 IonicContact NH2-OD2 3.66Å; R371-D450 PolarHBondContact NH2-OD2 3.27Å
372	T	94.9	Very high	95.1	Very high	44 Å²	44	42 Å²	42	27%	0.27	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	162.2	-174.5	56	0	0	0	0	112.3	A370 H446 N447 M448 P479	A370-T372 PolarHBondContact O-N 3.08Å; T372-H446 HydrophobicContact CG2-CB 3.73Å; T372-N447 CarbonylContact C-O 3.47Å; T372-N447 WeakPolarHBondContact CA-O 3.49Å; T372-M448 HydrophobicContact CG2-SD 3.78Å; T372-P479 HydrophobicContact CG2-CB 3.79Å; T372-P479 HydrophobicContact CG2-CG 3.56Å
373	N	92.9	Very high	94.8	Very high	93 Å²	93	42.9 Å²	42.9	50%	0.497	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	89.6	169.9	-176	13.9	0	0	0	110.1	N447 L449	N373-N447 PolarHBondContact N-O 2.82Å; N373-N447 WeakPolarHBondContact O-CB 3.49Å; N373-N447 PolarHBondContact O-ND2 2.98Å; N373-L449 HydrophobicContact CB-CD2 4.31Å
374	N	90.6	Very high	94.6	Very high	120 Å²	120	45.8 Å²	45.8	64%	0.642	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.8	174	-178	-60.6	-46.9	0	0	0	114.8	N447	N374-N447 PolarHBondContact O-N 3.21Å; N374-N447 VanDerWaalsContact O-N 3.1Å
375	F	93.9	Very high	94.3	Very high	43 Å²	43	46.3 Å²	46.3	19%	0.189	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	151.3	172.9	-54.9	-64.9	0	0	0	111.4	L380 H446 N447 P487 L488	F375-L380 HydrophobicContact CB-CD1 3.79Å; F375-L380 HydrophobicContact CB-CD2 4.4Å; F375-L380 HydrophobicContact CB-CG 3.88Å; F375-L380 HydrophobicContact CD2-CD1 4.46Å; F375-L380 HydrophobicContact CD2-CD2 4.32Å; F375-H446 AromaticContact CD1-CD2 3.6Å; F375-H446 AromaticContact CD1-CE1 3.82Å; F375-H446 AromaticContact CD1-NE2 3.21Å; F375-H446 WeakPolarHBondContact CD1-NE2 3.35Å; F375-H446 AromaticContact CE1-CD2 3.92Å; F375-H446 AromaticContact CE1-CE1 3.79Å; F375-H446 AromaticContact CE1-NE2 3.11Å; F375-H446 WeakPolarHBondContact CE1-NE2 3.24Å; F375-N447 PolarHBondContact O-ND2 3.5Å; F375-N447 VanDerWaalsContact O-ND2 3.12Å; F375-P487 HydrophobicContact CD2-CG 3.92Å; F375-P487 HydrophobicContact CE2-CG 3.37Å; F375-P487 HydrophobicContact CZ-CG 3.88Å; F375-L488 HydrophobicContact CB-CD1 4.15Å; F375-L488 HydrophobicContact CD1-CD1 3.27Å; F375-L488 HydrophobicContact CD1-CG 3.76Å; F375-L488 HydrophobicContact CE1-CD1 3.88Å; F375-L488 HydrophobicContact CE1-CG 4.09Å; F375-L488 HydrophobicContact CG-CD1 3.86Å; F375-L488 HydrophobicContact CG-CG 4.08Å
376	N	91.8	Very high	94	Very high	17 Å²	17	49 Å²	49	9%	0.091	26%	0.256	C	S	.	.			trans	-72.2	147.1	170.8	74.9	3.9	0	0	0	110.5	E378 T379 L380 C444 T445	N376-E378 VanDerWaalsContact C-N 3.27Å; N376-E378 PolarHBondContact O-N 3.23Å; N376-T379 PolarHBondContact ND2-OG1 2.76Å; N376-T379 PolarHBondContact O-N 3.37Å; N376-T379 WeakPolarHBondContact OD1-CA 3.31Å; N376-T379 WeakPolarHBondContact OD1-CB 3.41Å; N376-T379 PolarHBondContact OD1-N 3.14Å; N376-T379 PolarHBondContact OD1-OG1 3.1Å; N376-L380 PolarHBondContact O-N 2.99Å; N376-C444 PolarHBondContact ND2-O 3.3Å; N376-T445 PolarHBondContact N-O 3.15Å; N376-T445 PolarHBondContact OD1-O 3.48Å
377	V	92.6	Very high	93.8	Very high	107 Å²	107	54.7 Å²	54.7	65%	0.648	28%	0.281	S	S	*	.	H	α-helix	trans	-64.9	-36.3	-175.3	178.9	0	0	0	0	111	L380 K381	V377-L380 PolarHBondContact O-N 2.85Å; V377-K381 VanDerWaalsContact O-CB 3.23Å; V377-K381 WeakPolarHBondContact O-CB 3.29Å; V377-K381 PolarHBondContact O-N 3.16Å
378	E	91.6	Very high	93.5	Very high	66 Å²	66	58.1 Å²	58.1	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-37.8	-177.6	-72.5	-57.9	142.8	0	0	113.5	Y313 N376 G382	Y313-E378 PolarHBondContact OH-OE2 2.94Å; N376-E378 VanDerWaalsContact C-N 3.27Å; N376-E378 PolarHBondContact O-N 3.23Å; E378-G382 PolarHBondContact O-N 3.34Å
379	T	92.6	Very high	93.3	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-72.1	-41.1	177.5	-52	0	0	0	0	110.8	F307 H311 N376 G382 Q383 T445 L488	F307-T379 HydrophobicContact CE2-CG2 4.07Å; H311-T379 PolarHBondContact CE1-OG1 2.82Å; H311-T379 VanDerWaalsContact ND1-CG2 3.31Å; H311-T379 WeakPolarHBondContact ND1-CG2 3.44Å; N376-T379 PolarHBondContact ND2-OG1 2.76Å; N376-T379 PolarHBondContact O-N 3.37Å; N376-T379 WeakPolarHBondContact OD1-CA 3.31Å; N376-T379 WeakPolarHBondContact OD1-CB 3.41Å; N376-T379 PolarHBondContact OD1-N 3.14Å; N376-T379 PolarHBondContact OD1-OG1 3.1Å; T379-G382 PolarHBondContact O-N 3.05Å; T379-Q383 PolarHBondContact O-N 3.41Å; T379-T445 HydrophobicContact CG2-CG2 4.3Å; T379-L488 HydrophobicContact CG2-CD1 3.88Å; T379-L488 HydrophobicContact CG2-CD2 3.87Å; T379-L488 HydrophobicContact CG2-CG 4.4Å
380	L	93.7	Very high	93.2	Very high	68 Å²	68	66 Å²	66	36%	0.356	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-47.1	174.3	-77.7	171	0	0	0	111.7	F375 N376 V377 G382 Q383 A384 P487 L488	F375-L380 HydrophobicContact CB-CD1 3.79Å; F375-L380 HydrophobicContact CB-CD2 4.4Å; F375-L380 HydrophobicContact CB-CG 3.88Å; F375-L380 HydrophobicContact CD2-CD1 4.46Å; F375-L380 HydrophobicContact CD2-CD2 4.32Å; N376-L380 PolarHBondContact O-N 2.99Å; V377-L380 PolarHBondContact O-N 2.85Å; L380-G382 VanDerWaalsContact C-N 3.31Å; L380-G382 PolarHBondContact O-N 3.22Å; L380-Q383 PolarHBondContact O-N 3.39Å; L380-A384 PolarHBondContact O-N 3.38Å; L380-P487 HydrophobicContact CD2-CB 4.44Å; L380-P487 HydrophobicContact CD2-CG 4.32Å; L380-L488 HydrophobicContact CD2-CD2 3.53Å; L380-L488 HydrophobicContact CD2-CG 4.46Å; L380-L488 HydrophobicContact CG-CD2 3.91Å
381	K	93.1	Very high	93.1	Very high	95 Å²	95	68.2 Å²	68.2	41%	0.413	33%	0.334	S	S	.	.	H	α-helix	trans	-58.7	-44.2	175.9	-178.4	-175.8	173	-164.2	0	111	V377 Q383 A384 V385	V377-K381 VanDerWaalsContact O-CB 3.23Å; V377-K381 WeakPolarHBondContact O-CB 3.29Å; V377-K381 PolarHBondContact O-N 3.16Å; K381-Q383 PolarHBondContact O-N 3.06Å; K381-A384 PolarHBondContact O-N 3.5Å; K381-V385 HydrophobicContact CG-CG2 4.34Å; K381-V385 WeakPolarHBondContact O-CG2 2.75Å; K381-V385 PolarHBondContact O-N 3.11Å
382	G	93.1	Very high	93.1	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58	-44.4	177	0	0	0	0	0	113.2	G310 E378 T379 L380 A384 V385 R386	G310-G382 CarbonylContact O-C 3.57Å; G310-G382 VanDerWaalsContact O-CA 3.23Å; G310-G382 WeakPolarHBondContact O-CA 3.36Å; E378-G382 PolarHBondContact O-N 3.34Å; T379-G382 PolarHBondContact O-N 3.05Å; L380-G382 VanDerWaalsContact C-N 3.31Å; L380-G382 PolarHBondContact O-N 3.22Å; G382-A384 PolarHBondContact O-N 3.42Å; G382-V385 PolarHBondContact O-N 2.97Å; G382-R386 WeakPolarHBondContact O-CB 3.44Å; G382-R386 PolarHBondContact O-N 3.44Å
383	Q	94.1	Very high	93	Very high	18 Å²	18	62.4 Å²	62.4	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-37.6	176.1	-64	-50.2	-35.2	0	0	112.9	F307 T379 L380 K381 K387 L488	F307-Q383 PolarHBondContact O-NE2 2.9Å; T379-Q383 PolarHBondContact O-N 3.41Å; L380-Q383 PolarHBondContact O-N 3.39Å; K381-Q383 PolarHBondContact O-N 3.06Å; Q383-K387 PolarHBondContact O-N 2.82Å; Q383-L488 HydrophobicContact CG-CD2 4.26Å
384	A	93.5	Very high	93.1	Very high	61 Å²	61	59.8 Å²	59.8	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-66	-45.1	175.5	0	0	0	0	0	112.2	L380 K381 G382 K387 Q388	L380-A384 PolarHBondContact O-N 3.38Å; K381-A384 PolarHBondContact O-N 3.5Å; G382-A384 PolarHBondContact O-N 3.42Å; A384-K387 PolarHBondContact O-N 3.45Å; A384-Q388 PolarHBondContact O-N 3.26Å
385	V	93.2	Very high	93.2	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.067	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-44.6	177.1	170.5	0	0	0	0	110.9	Y313 K381 G382 K387 Q388 L389 T435	Y313-V385 HydrophobicContact CD2-CG1 4.37Å; K381-V385 HydrophobicContact CG-CG2 4.34Å; K381-V385 WeakPolarHBondContact O-CG2 2.75Å; K381-V385 PolarHBondContact O-N 3.11Å; G382-V385 PolarHBondContact O-N 2.97Å; V385-K387 PolarHBondContact O-N 2.97Å; V385-Q388 PolarHBondContact O-N 3.16Å; V385-L389 HydrophobicContact CG1-CD1 4.32Å; V385-L389 WeakPolarHBondContact O-CG 3.39Å; V385-L389 PolarHBondContact O-N 3.43Å; V385-T435 HydrophobicContact CG1-CG2 4.04Å
386	R	92.9	Very high	93.2	Very high	57 Å²	57	56.1 Å²	56.1	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-49.6	174.1	179.9	-157.1	63.8	74.9	8.6	111.6	E306 R309 G382 Q388 L389 W390	E306-R386 WeakPolarHBondContact O-CD 3.43Å; E306-R386 IonicContact OE2-CZ 3.96Å; E306-R386 IonicContact OE2-NE 2.64Å; E306-R386 IonicContact OE2-NH1 3.24Å; E306-R386 PolarHBondContact OE2-NH1 3.23Å; R309-R386 HydrophobicContact CB-CG 4.34Å; G382-R386 WeakPolarHBondContact O-CB 3.44Å; G382-R386 PolarHBondContact O-N 3.44Å; R386-Q388 VanDerWaalsContact C-N 3.33Å; R386-Q388 PolarHBondContact O-N 3.13Å; R386-L389 WeakPolarHBondContact O-CB 3.28Å; R386-L389 PolarHBondContact O-N 3.12Å; R386-W390 PolarHBondContact O-N 2.94Å
387	K	92.8	Very high	93.3	Very high	120 Å²	120	60.4 Å²	60.4	52%	0.522	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-44.8	179.1	-173.9	178.8	177.7	-178.4	0	111.2	Q383 A384 V385 L389 W390 D391	Q383-K387 PolarHBondContact O-N 2.82Å; A384-K387 PolarHBondContact O-N 3.45Å; V385-K387 PolarHBondContact O-N 2.97Å; K387-L389 VanDerWaalsContact C-N 3.35Å; K387-L389 PolarHBondContact O-N 3.44Å; K387-W390 WeakPolarHBondContact O-CB 3.27Å; K387-W390 PolarHBondContact O-N 3.11Å; K387-D391 VanDerWaalsContact O-CG 3.24Å; K387-D391 PolarHBondContact O-N 2.86Å
388	Q	92.9	Very high	93.3	Very high	79 Å²	79	61.1 Å²	61.1	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-41.9	177.4	-174.9	-176.4	-2.6	0	0	112.6	A384 V385 R386 T392	A384-Q388 PolarHBondContact O-N 3.26Å; V385-Q388 PolarHBondContact O-N 3.16Å; R386-Q388 VanDerWaalsContact C-N 3.33Å; R386-Q388 PolarHBondContact O-N 3.13Å; Q388-T392 WeakPolarHBondContact O-CB 3.45Å; Q388-T392 PolarHBondContact O-N 3.37Å; Q388-T392 PolarHBondContact O-OG1 2.96Å
389	L	92.6	Very high	93.3	Very high	59 Å²	59	61.1 Å²	61.1	31%	0.309	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-46.5	174.5	-76.1	166	0	0	0	111.4	V385 R386 K387 T392 A393 A431 T435	V385-L389 HydrophobicContact CG1-CD1 4.32Å; V385-L389 WeakPolarHBondContact O-CG 3.39Å; V385-L389 PolarHBondContact O-N 3.43Å; R386-L389 WeakPolarHBondContact O-CB 3.28Å; R386-L389 PolarHBondContact O-N 3.12Å; K387-L389 VanDerWaalsContact C-N 3.35Å; K387-L389 PolarHBondContact O-N 3.44Å; L389-T392 PolarHBondContact O-N 3.01Å; L389-A393 WeakPolarHBondContact O-CB 3.48Å; L389-A393 PolarHBondContact O-N 3.45Å; L389-A431 HydrophobicContact CD2-CB 3.79Å; L389-T435 HydrophobicContact CD1-CG2 3.61Å; L389-T435 HydrophobicContact CD2-CG2 3.93Å; L389-T435 HydrophobicContact CG-CG2 4.13Å
390	W	92.8	Very high	93.3	Very high	143 Å²	143	64.1 Å²	64.1	54%	0.542	32%	0.319	S	S	.	.	H	α-helix	trans	-61.4	-46.3	179	-179.5	-99.2	0	0	0	112.2	R386 K387 T392 A393 N394	R386-W390 PolarHBondContact O-N 2.94Å; K387-W390 WeakPolarHBondContact O-CB 3.27Å; K387-W390 PolarHBondContact O-N 3.11Å; W390-T392 VanDerWaalsContact C-N 3.32Å; W390-T392 PolarHBondContact O-N 2.96Å; W390-A393 PolarHBondContact O-N 3.47Å; W390-N394 PolarHBondContact NE1-ND2 3.3Å; W390-N394 PolarHBondContact O-N 3.32Å; W390-N394 PolarHBondContact O-ND2 2.7Å
391	D	94.5	Very high	93.2	Very high	75 Å²	75	62.6 Å²	62.6	40%	0.401	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-39.1	179	-65.9	-16.7	0	0	0	111.2	K387 T395	K387-D391 VanDerWaalsContact O-CG 3.24Å; K387-D391 PolarHBondContact O-N 2.86Å; D391-T395 WeakPolarHBondContact O-CB 3.41Å; D391-T395 PolarHBondContact O-N 3.45Å; D391-T395 PolarHBondContact O-OG1 3.26Å
392	T	94	Very high	93.1	Very high	24 Å²	24	64.5 Å²	64.5	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-63	-48.1	174.1	-55.9	0	0	0	0	110.8	Q388 L389 W390 N394 T395 V396 I427 A431	Q388-T392 WeakPolarHBondContact O-CB 3.45Å; Q388-T392 PolarHBondContact O-N 3.37Å; Q388-T392 PolarHBondContact O-OG1 2.96Å; L389-T392 PolarHBondContact O-N 3.01Å; W390-T392 VanDerWaalsContact C-N 3.32Å; W390-T392 PolarHBondContact O-N 2.96Å; T392-N394 PolarHBondContact O-N 2.83Å; T392-T395 PolarHBondContact O-N 2.85Å; T392-V396 WeakPolarHBondContact O-CG2 3.4Å; T392-V396 PolarHBondContact O-N 3.01Å; T392-V396 VanDerWaalsContact O-N 3.07Å; T392-I427 HydrophobicContact CG2-CB 4.29Å; T392-I427 HydrophobicContact CG2-CD1 4.13Å; T392-I427 HydrophobicContact CG2-CG1 3.96Å; T392-A431 HydrophobicContact CG2-CB 4.19Å
393	A	93.3	Very high	92.9	Very high	54 Å²	54	66.4 Å²	66.4	45%	0.446	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-42.8	179.3	0	0	0	0	0	112.1	L389 W390 V396 K397	L389-A393 WeakPolarHBondContact O-CB 3.48Å; L389-A393 PolarHBondContact O-N 3.45Å; W390-A393 PolarHBondContact O-N 3.47Å; A393-V396 PolarHBondContact O-N 2.71Å; A393-K397 VanDerWaalsContact O-CB 3.3Å; A393-K397 WeakPolarHBondContact O-CB 3.38Å; A393-K397 PolarHBondContact O-N 3.45Å
394	N	94.9	Very high	92.7	Very high	38 Å²	38	68 Å²	68	20%	0.203	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-42	176.1	-81.2	-46.8	0	0	0	112.2	W390 T392 V396 K397 E398	W390-N394 PolarHBondContact NE1-ND2 3.3Å; W390-N394 PolarHBondContact O-N 3.32Å; W390-N394 PolarHBondContact O-ND2 2.7Å; T392-N394 PolarHBondContact O-N 2.83Å; N394-V396 VanDerWaalsContact C-N 3.29Å; N394-V396 PolarHBondContact O-N 3.14Å; N394-K397 WeakPolarHBondContact O-CB 3.29Å; N394-K397 PolarHBondContact O-N 3.43Å; N394-K397 PolarHBondContact OD1-NZ 3.47Å; N394-E398 WeakPolarHBondContact O-CG 3.16Å; N394-E398 PolarHBondContact O-N 2.86Å
395	T	93.7	Very high	92.6	Very high	73 Å²	73	72.1 Å²	72.1	45%	0.448	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-44.5	176.7	-58.6	0	0	0	0	111.2	D391 T392 K399	D391-T395 WeakPolarHBondContact O-CB 3.41Å; D391-T395 PolarHBondContact O-N 3.45Å; D391-T395 PolarHBondContact O-OG1 3.26Å; T392-T395 PolarHBondContact O-N 2.85Å; T395-K399 WeakPolarHBondContact O-CG 3.22Å; T395-K399 PolarHBondContact O-N 3.36Å
396	V	93.1	Very high	92.4	Very high	12 Å²	12	76 Å²	76	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-66.6	-42.5	176.5	176.1	0	0	0	0	111.2	T392 A393 N394 E398 K399 F400 L420 D424 I427 M428	T392-V396 WeakPolarHBondContact O-CG2 3.4Å; T392-V396 PolarHBondContact O-N 3.01Å; T392-V396 VanDerWaalsContact O-N 3.07Å; A393-V396 PolarHBondContact O-N 2.71Å; N394-V396 VanDerWaalsContact C-N 3.29Å; N394-V396 PolarHBondContact O-N 3.14Å; V396-E398 PolarHBondContact O-N 3.41Å; V396-K399 PolarHBondContact O-N 3.24Å; V396-F400 VanDerWaalsContact O-CB 3.26Å; V396-F400 WeakPolarHBondContact O-CB 3.43Å; V396-F400 PolarHBondContact O-N 2.75Å; V396-L420 HydrophobicContact CG1-CD2 3.46Å; V396-L420 VanDerWaalsContact CG1-CD2 3.46Å; V396-D424 HydrophobicContact CG1-CB 4.47Å; V396-D424 HydrophobicContact CG2-CB 4.18Å; V396-I427 HydrophobicContact CG2-CD1 3.9Å; V396-I427 HydrophobicContact CG2-CG1 4.41Å; V396-M428 HydrophobicContact CG1-SD 4.41Å; V396-M428 HydrophobicContact CG2-CG 4.21Å; V396-M428 HydrophobicContact CG2-SD 4.46Å
397	K	93.8	Very high	92.1	Very high	108 Å²	108	75.1 Å²	75.1	47%	0.47	37%	0.365	S	S	.	.	H	α-helix	trans	-58.5	-46.5	177.3	-176.3	-161.5	75.1	-170.1	0	112.2	A393 N394 F400 G401	A393-K397 VanDerWaalsContact O-CB 3.3Å; A393-K397 WeakPolarHBondContact O-CB 3.38Å; A393-K397 PolarHBondContact O-N 3.45Å; N394-K397 WeakPolarHBondContact O-CB 3.29Å; N394-K397 PolarHBondContact O-N 3.43Å; N394-K397 PolarHBondContact OD1-NZ 3.47Å; K397-F400 PolarHBondContact O-N 3.45Å; K397-G401 PolarHBondContact O-N 3.33Å
398	E	93.8	Very high	91.9	Very high	122 Å²	122	74.1 Å²	74.1	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-64.9	-43.6	179.1	-66.7	-52.4	137.4	0	0	111.6	N394 V396 G401 R402	N394-E398 WeakPolarHBondContact O-CG 3.16Å; N394-E398 PolarHBondContact O-N 2.86Å; V396-E398 PolarHBondContact O-N 3.41Å; E398-G401 PolarHBondContact O-N 3.06Å; E398-R402 PolarHBondContact O-N 3.46Å
399	K	91.6	Very high	91.8	Very high	66 Å²	66	75.9 Å²	75.9	29%	0.287	38%	0.376	S	S	.	.	H	α-helix	trans	-61.1	-46.2	174.8	-73.1	-177	-175.1	-177.5	0	112	T395 V396 R402 K403 D424	T395-K399 WeakPolarHBondContact O-CG 3.22Å; T395-K399 PolarHBondContact O-N 3.36Å; V396-K399 PolarHBondContact O-N 3.24Å; K399-R402 PolarHBondContact O-N 3.45Å; K399-K403 PolarHBondContact O-N 2.88Å; K399-K403 VanDerWaalsContact O-N 3.11Å; K399-D424 WeakPolarHBondContact CD-OD1 3.49Å; K399-D424 IonicContact NZ-OD1 2.86Å; K399-D424 PolarHBondContact NZ-OD1 2.96Å
400	F	91.6	Very high	91.5	Very high	64 Å²	64	78.5 Å²	78.5	28%	0.281	39%	0.394	S	S	.	.	H	α-helix	trans	-60.8	-48.8	177.8	179.8	-84.4	0	0	0	110.8	V396 K397 R402 K403 L404 M416 M419 L420	V396-F400 VanDerWaalsContact O-CB 3.26Å; V396-F400 WeakPolarHBondContact O-CB 3.43Å; V396-F400 PolarHBondContact O-N 2.75Å; K397-F400 PolarHBondContact O-N 3.45Å; F400-R402 VanDerWaalsContact C-N 3.32Å; F400-R402 PolarHBondContact O-N 3.35Å; F400-K403 PolarHBondContact O-N 3.21Å; F400-L404 HydrophobicContact CE1-CB 4.42Å; F400-L404 HydrophobicContact CE1-CD2 3.98Å; F400-L404 VanDerWaalsContact O-CB 3.28Å; F400-L404 WeakPolarHBondContact O-CB 3.41Å; F400-L404 PolarHBondContact O-N 3.24Å; F400-M416 HydrophobicContact CZ-SD 4.26Å; F400-M419 HydrophobicContact CD2-CB 3.48Å; F400-M419 VanDerWaalsContact CD2-CB 3.48Å; F400-M419 HydrophobicContact CD2-CG 4.3Å; F400-M419 HydrophobicContact CE2-CB 3.3Å; F400-M419 HydrophobicContact CE2-CG 3.81Å; F400-M419 HydrophobicContact CZ-CB 4.28Å; F400-M419 HydrophobicContact CZ-CG 4.34Å; F400-L420 HydrophobicContact CB-CD2 4.49Å; F400-L420 HydrophobicContact CD2-CD2 4.04Å; F400-L420 HydrophobicContact CD2-CG 4.26Å
401	G	91.5	Very high	91	Very high	35 Å²	35	75 Å²	75	36%	0.361	40%	0.403	S	S	.	.	H	α-helix	trans	-58.6	-41.4	179.2	0	0	0	0	0	112.6	K397 E398 L404 Y405	K397-G401 PolarHBondContact O-N 3.33Å; E398-G401 PolarHBondContact O-N 3.06Å; G401-L404 PolarHBondContact O-N 3.41Å; G401-Y405 WeakPolarHBondContact O-CB 3.12Å; G401-Y405 PolarHBondContact O-N 3.42Å
402	R	90.8	Very high	90.2	Very high	136 Å²	136	74.9 Å²	74.9	51%	0.513	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-49.4	175.4	-176	175.3	59.8	86.7	-2.2	112.6	E398 K399 F400 L404 Y405 E406	E398-R402 PolarHBondContact O-N 3.46Å; K399-R402 PolarHBondContact O-N 3.45Å; F400-R402 VanDerWaalsContact C-N 3.32Å; F400-R402 PolarHBondContact O-N 3.35Å; R402-L404 VanDerWaalsContact C-N 3.3Å; R402-L404 PolarHBondContact O-N 3.45Å; R402-Y405 PolarHBondContact O-N 2.85Å; R402-E406 WeakPolarHBondContact CG-OE1 3.33Å; R402-E406 IonicContact CZ-OE1 3.94Å; R402-E406 IonicContact NH1-OE1 2.93Å; R402-E406 PolarHBondContact NH1-OE1 3.03Å; R402-E406 IonicContact NH1-OE2 3.91Å; R402-E406 WeakPolarHBondContact O-CG 3.38Å; R402-E406 PolarHBondContact O-N 2.98Å
403	K	89.5	Confident	89.6	Confident	40 Å²	40	81.9 Å²	81.9	17%	0.174	44%	0.443	C	S	.	.	H	α-helix	trans	-63.2	-37.1	177.8	-73.9	-177	176.8	178.6	0	112.5	K399 F400 S407 M419 D421	K399-K403 PolarHBondContact O-N 2.88Å; K399-K403 VanDerWaalsContact O-N 3.11Å; F400-K403 PolarHBondContact O-N 3.21Å; K403-S407 WeakPolarHBondContact O-CB 3.4Å; K403-S407 PolarHBondContact O-N 3.21Å; K403-S407 PolarHBondContact O-OG 2.96Å; K403-M419 HydrophobicContact CB-SD 3.63Å; K403-M419 WeakPolarHBondContact CD-O 3.07Å; K403-D421 IonicContact NZ-OD1 2.76Å; K403-D421 PolarHBondContact NZ-OD1 3.37Å; K403-D421 IonicContact NZ-OD2 2.73Å; K403-D421 PolarHBondContact NZ-OD2 3.46Å
404	L	90.8	Very high	89.2	Confident	51 Å²	51	80.2 Å²	80.2	27%	0.267	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-49.2	175	177.7	61.7	0	0	0	110.5	F400 G401 R402 S407 L408 P414 M416 M419	F400-L404 HydrophobicContact CE1-CB 4.42Å; F400-L404 HydrophobicContact CE1-CD2 3.98Å; F400-L404 VanDerWaalsContact O-CB 3.28Å; F400-L404 WeakPolarHBondContact O-CB 3.41Å; F400-L404 PolarHBondContact O-N 3.24Å; G401-L404 PolarHBondContact O-N 3.41Å; R402-L404 VanDerWaalsContact C-N 3.3Å; R402-L404 PolarHBondContact O-N 3.45Å; L404-S407 PolarHBondContact O-N 3.41Å; L404-L408 HydrophobicContact CD1-CD1 4.14Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 4.05Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.35Å; L404-L408 PolarHBondContact O-N 2.8Å; L404-P414 HydrophobicContact CD1-CB 4.21Å; L404-P414 HydrophobicContact CD1-CG 3.51Å; L404-M416 HydrophobicContact CD1-CE 4.4Å; L404-M419 HydrophobicContact CD1-CE 4.34Å
405	Y	90.2	Very high	88.7	Confident	148 Å²	148	81.7 Å²	81.7	58%	0.58	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-48.2	176.8	179	-110	0	0	0	112.1	G401 R402 S407 L408 L409	G401-Y405 WeakPolarHBondContact O-CB 3.12Å; G401-Y405 PolarHBondContact O-N 3.42Å; R402-Y405 PolarHBondContact O-N 2.85Å; Y405-S407 VanDerWaalsContact C-N 3.29Å; Y405-S407 PolarHBondContact O-N 3.05Å; Y405-L408 PolarHBondContact O-N 2.79Å; Y405-L409 HydrophobicContact CD1-CD1 4.02Å; Y405-L409 HydrophobicContact CE1-CD1 3.54Å; Y405-L409 HydrophobicContact CE1-CG 4.23Å; Y405-L409 HydrophobicContact CE2-CD1 4.48Å; Y405-L409 HydrophobicContact CE2-CD2 4.31Å; Y405-L409 HydrophobicContact CE2-CG 4.32Å; Y405-L409 WeakPolarHBondContact O-CG 3.39Å; Y405-L409 PolarHBondContact O-N 2.84Å
406	E	88.8	Confident	88.1	Confident	93 Å²	93	83 Å²	83	44%	0.435	44%	0.438	S	S	.	.	H	α-helix	trans	-56.8	-41.7	176.4	-73.7	170.4	-167.2	0	0	111.8	R402 L409	R402-E406 WeakPolarHBondContact CG-OE1 3.33Å; R402-E406 IonicContact CZ-OE1 3.94Å; R402-E406 IonicContact NH1-OE1 2.93Å; R402-E406 PolarHBondContact NH1-OE1 3.03Å; R402-E406 IonicContact NH1-OE2 3.91Å; R402-E406 WeakPolarHBondContact O-CG 3.38Å; R402-E406 PolarHBondContact O-N 2.98Å; E406-L409 PolarHBondContact O-N 2.68Å
407	S	87.2	Confident	87.5	Confident	38 Å²	38	89.4 Å²	89.4	27%	0.266	47%	0.472	S	S	.	.	H	α-helix	trans	-71	-38.6	178.6	-61.8	0	0	0	0	113	K403 L404 Y405 L409 V410	K403-S407 WeakPolarHBondContact O-CB 3.4Å; K403-S407 PolarHBondContact O-N 3.21Å; K403-S407 PolarHBondContact O-OG 2.96Å; L404-S407 PolarHBondContact O-N 3.41Å; Y405-S407 VanDerWaalsContact C-N 3.29Å; Y405-S407 PolarHBondContact O-N 3.05Å; S407-L409 VanDerWaalsContact C-N 3.3Å; S407-L409 PolarHBondContact O-N 3.13Å; S407-V410 WeakPolarHBondContact O-CB 3.28Å; S407-V410 PolarHBondContact O-N 3.41Å
408	L	89	Confident	87	Confident	99 Å²	99	91.4 Å²	91.4	52%	0.518	48%	0.481	S	S	.	.	H	α-helix	trans	-64.9	-34.1	176.7	-71.4	172	0	0	0	111.9	L404 Y405 V410 G411 P414	L404-L408 HydrophobicContact CD1-CD1 4.14Å; L404-L408 HydrophobicContact CD1-CG 4.26Å; L404-L408 HydrophobicContact CG-CD1 4.05Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.35Å; L404-L408 PolarHBondContact O-N 2.8Å; Y405-L408 PolarHBondContact O-N 2.79Å; L408-V410 PolarHBondContact O-N 2.92Å; L408-G411 PolarHBondContact O-N 3.22Å; L408-P414 HydrophobicContact CD2-CG 4.04Å; L408-P414 HydrophobicContact CG-CG 4.27Å
409	L	90.4	Very high	86.5	Confident	115 Å²	115	85.8 Å²	85.8	60%	0.602	46%	0.455	S	S	*	.	H	α-helix	trans	-62.9	-26.4	175	-73.9	176	0	0	0	113.4	Y405 E406 S407 G411	Y405-L409 HydrophobicContact CD1-CD1 4.02Å; Y405-L409 HydrophobicContact CE1-CD1 3.54Å; Y405-L409 HydrophobicContact CE1-CG 4.23Å; Y405-L409 HydrophobicContact CE2-CD1 4.48Å; Y405-L409 HydrophobicContact CE2-CD2 4.31Å; Y405-L409 HydrophobicContact CE2-CG 4.32Å; Y405-L409 WeakPolarHBondContact O-CG 3.39Å; Y405-L409 PolarHBondContact O-N 2.84Å; E406-L409 PolarHBondContact O-N 2.68Å; S407-L409 VanDerWaalsContact C-N 3.3Å; S407-L409 PolarHBondContact O-N 3.13Å; L409-G411 PolarHBondContact O-N 3.01Å
410	V	87.2	Confident	86.4	Confident	114 Å²	114	84.9 Å²	84.9	69%	0.691	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-12.7	176.9	-179.4	0	0	0	0	111.7	S407 L408	S407-V410 WeakPolarHBondContact O-CB 3.28Å; S407-V410 PolarHBondContact O-N 3.41Å; L408-V410 PolarHBondContact O-N 2.92Å
411	G	80.6	Confident	86.2	Confident	71 Å²	71	85.3 Å²	85.3	73%	0.732	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	16.4	176	0	0	0	0	0	114.9	L408 L409	L408-G411 PolarHBondContact O-N 3.22Å; L409-G411 PolarHBondContact O-N 3.01Å
412	S	78.3	Confident	86.1	Confident	72 Å²	72	92.3 Å²	92.3	50%	0.503	48%	0.478	S	S	.	.	S	Bend	trans	-119.6	152.1	172.3	59.6	0	0	0	0	111.1	P414	S412-P414 WeakPolarHBondContact O-CD 3.45Å
413	L	82.4	Confident	86.1	Confident	170 Å²	170	92.6 Å²	92.6	89%	0.89	49%	0.486	S	S	*	.			trans	-62.7	125.1	177.2	-97	157.6	0	0	0	109.8
414	P	83.9	Confident	86.1	Confident	19 Å²	19	90.8 Å²	90.8	12%	0.123	48%	0.478	C	S	.	.			trans	-68.5	142.1	-177.9	0.3	3.2	0	0	0	113.4	L404 L408 S412 M416 M419	L404-P414 HydrophobicContact CD1-CB 4.21Å; L404-P414 HydrophobicContact CD1-CG 3.51Å; L408-P414 HydrophobicContact CD2-CG 4.04Å; L408-P414 HydrophobicContact CG-CG 4.27Å; S412-P414 WeakPolarHBondContact O-CD 3.45Å; P414-M416 HydrophobicContact CB-CE 3.72Å; P414-M416 HydrophobicContact CG-CE 4.07Å; P414-M416 VanDerWaalsContact O-CE 3.25Å; P414-M416 WeakPolarHBondContact O-CE 3.5Å; P414-M416 PolarHBondContact O-N 2.93Å; P414-M419 HydrophobicContact CB-CE 3.06Å; P414-M419 HydrophobicContact CG-CE 4.08Å
415	D	84.8	Confident	86.1	Confident	70 Å²	70	93.2 Å²	93.2	37%	0.374	49%	0.486	S	S	.	.			trans	-79.8	109.2	172.9	-179	-2.2	0	0	0	110.8	N417 K418	D415-N417 PolarHBondContact O-N 2.99Å; D415-N417 PolarHBondContact OD1-N 2.98Å; D415-N417 VanDerWaalsContact OD1-N 3.1Å; D415-K418 HydrophobicContact CB-CB 4.47Å; D415-K418 HydrophobicContact CB-CD 4.16Å; D415-K418 HydrophobicContact CB-CG 4.38Å; D415-K418 PolarHBondContact O-N 3.39Å; D415-K418 VanDerWaalsContact O-N 3.09Å; D415-K418 WeakPolarHBondContact OD2-CD 3.44Å; D415-K418 WeakPolarHBondContact OD2-CE 3.34Å; D415-K418 IonicContact OD2-NZ 3.42Å; D415-K418 PolarHBondContact OD2-NZ 3.2Å
416	M	80.9	Confident	86.2	Confident	99 Å²	99	90.6 Å²	90.6	49%	0.488	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-60.2	-29	-176.8	-64.7	-61.1	99.6	0	0	113.4	F400 L404 P414 K418 M419	F400-M416 HydrophobicContact CZ-SD 4.26Å; L404-M416 HydrophobicContact CD1-CE 4.4Å; P414-M416 HydrophobicContact CB-CE 3.72Å; P414-M416 HydrophobicContact CG-CE 4.07Å; P414-M416 VanDerWaalsContact O-CE 3.25Å; P414-M416 WeakPolarHBondContact O-CE 3.5Å; P414-M416 PolarHBondContact O-N 2.93Å; M416-K418 PolarHBondContact O-N 3.43Å; M416-M419 HydrophobicContact CE-CE 4.28Å; M416-M419 HydrophobicContact CE-CG 4.18Å; M416-M419 PolarHBondContact O-N 3.03Å
417	N	80.9	Confident	86.4	Confident	148 Å²	148	89.2 Å²	89.2	79%	0.791	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-73.4	-16.7	-179.5	-67.6	-39.8	0	0	0	113	D415	D415-N417 PolarHBondContact O-N 2.99Å; D415-N417 PolarHBondContact OD1-N 2.98Å; D415-N417 VanDerWaalsContact OD1-N 3.1Å
418	K	81.9	Confident	86.6	Confident	149 Å²	149	90 Å²	90	65%	0.648	48%	0.481	S	S	*	.	G	3₁₀ helix	trans	-98.4	-3	178.3	-66	178	-175.4	161.2	0	113.2	D415 M416	D415-K418 HydrophobicContact CB-CB 4.47Å; D415-K418 HydrophobicContact CB-CD 4.16Å; D415-K418 HydrophobicContact CB-CG 4.38Å; D415-K418 PolarHBondContact O-N 3.39Å; D415-K418 VanDerWaalsContact O-N 3.09Å; D415-K418 WeakPolarHBondContact OD2-CD 3.44Å; D415-K418 WeakPolarHBondContact OD2-CE 3.34Å; D415-K418 IonicContact OD2-NZ 3.42Å; D415-K418 PolarHBondContact OD2-NZ 3.2Å; M416-K418 PolarHBondContact O-N 3.43Å
419	M	84.8	Confident	86.8	Confident	5 Å²	5	91.5 Å²	91.5	3%	0.025	48%	0.483	C	S	.	.	S	Bend	trans	-77.4	-26.8	-178.1	-69.4	-61.6	174.7	0	0	113.4	F400 K403 L404 P414 M416	F400-M419 HydrophobicContact CD2-CB 3.48Å; F400-M419 VanDerWaalsContact CD2-CB 3.48Å; F400-M419 HydrophobicContact CD2-CG 4.3Å; F400-M419 HydrophobicContact CE2-CB 3.3Å; F400-M419 HydrophobicContact CE2-CG 3.81Å; F400-M419 HydrophobicContact CZ-CB 4.28Å; F400-M419 HydrophobicContact CZ-CG 4.34Å; K403-M419 HydrophobicContact CB-SD 3.63Å; K403-M419 WeakPolarHBondContact CD-O 3.07Å; L404-M419 HydrophobicContact CD1-CE 4.34Å; P414-M419 HydrophobicContact CB-CE 3.06Å; P414-M419 HydrophobicContact CG-CE 4.08Å; M416-M419 HydrophobicContact CE-CE 4.28Å; M416-M419 HydrophobicContact CE-CG 4.18Å; M416-M419 PolarHBondContact O-N 3.03Å
420	L	88.4	Confident	86.9	Confident	47 Å²	47	94.8 Å²	94.8	25%	0.246	49%	0.488	C	S	.	.	S	Bend	trans	-114.4	129.1	178.9	-64.4	175.9	0	0	0	110.4	V396 F400 F425 M428	V396-L420 HydrophobicContact CG1-CD2 3.46Å; V396-L420 VanDerWaalsContact CG1-CD2 3.46Å; F400-L420 HydrophobicContact CB-CD2 4.49Å; F400-L420 HydrophobicContact CD2-CD2 4.04Å; F400-L420 HydrophobicContact CD2-CG 4.26Å; L420-F425 HydrophobicContact CB-CD2 4.47Å; L420-F425 HydrophobicContact CB-CE2 3.73Å; L420-F425 HydrophobicContact CB-CZ 4.03Å; L420-F425 HydrophobicContact CD1-CZ 4.08Å; L420-M428 HydrophobicContact CD1-CE 4.45Å
421	D	88.1	Confident	87	Confident	72 Å²	72	89.6 Å²	89.6	39%	0.385	46%	0.456	S	S	.	.			trans	-87.7	162.4	179.1	-60.1	-36.2	0	0	0	111.3	K403 E423 D424 F425	K403-D421 IonicContact NZ-OD1 2.76Å; K403-D421 PolarHBondContact NZ-OD1 3.37Å; K403-D421 IonicContact NZ-OD2 2.73Å; K403-D421 PolarHBondContact NZ-OD2 3.46Å; D421-E423 PolarHBondContact O-N 3.37Å; D421-E423 VanDerWaalsContact O-N 3.16Å; D421-D424 PolarHBondContact N-OD2 3.23Å; D421-D424 WeakPolarHBondContact O-CB 3.45Å; D421-D424 PolarHBondContact O-N 3.29Å; D421-F425 VanDerWaalsContact O-CD2 3.29Å; D421-F425 WeakPolarHBondContact O-CD2 3.41Å; D421-F425 PolarHBondContact O-N 3.48Å
422	K	89	Confident	87.4	Confident	183 Å²	183	91.1 Å²	91.1	80%	0.796	45%	0.447	S	S	*	.	H	α-helix	trans	-56	-32.5	175.7	-70.4	-176.4	179.6	177.9	0	112.7	F425 T426	K422-F425 PolarHBondContact O-N 2.81Å; K422-T426 PolarHBondContact O-N 3.21Å; K422-T426 PolarHBondContact O-OG1 2.91Å
423	E	90.3	Very high	88	Confident	142 Å²	142	94.1 Å²	94.1	66%	0.664	45%	0.451	S	S	*	.	H	α-helix	trans	-64.8	-41.6	175.5	-66.8	-179.2	-175.5	0	0	111.7	D421 F425 T426 I427	D421-E423 PolarHBondContact O-N 3.37Å; D421-E423 VanDerWaalsContact O-N 3.16Å; E423-F425 VanDerWaalsContact C-N 3.34Å; E423-F425 PolarHBondContact O-N 3.08Å; E423-T426 WeakPolarHBondContact O-CA 3.46Å; E423-T426 WeakPolarHBondContact O-CB 2.93Å; E423-T426 PolarHBondContact O-N 2.89Å; E423-I427 PolarHBondContact O-N 2.96Å
424	D	90.4	Very high	88.3	Confident	2 Å²	2	87.7 Å²	87.7	1%	0.011	42%	0.422	C	S	.	.	H	α-helix	trans	-63.4	-41.8	178	-58.4	-41.3	0	0	0	110.6	V396 K399 D421 T426 I427 M428	V396-D424 HydrophobicContact CG1-CB 4.47Å; V396-D424 HydrophobicContact CG2-CB 4.18Å; K399-D424 WeakPolarHBondContact CD-OD1 3.49Å; K399-D424 IonicContact NZ-OD1 2.86Å; K399-D424 PolarHBondContact NZ-OD1 2.96Å; D421-D424 PolarHBondContact N-OD2 3.23Å; D421-D424 WeakPolarHBondContact O-CB 3.45Å; D421-D424 PolarHBondContact O-N 3.29Å; D424-T426 VanDerWaalsContact C-N 3.28Å; D424-T426 PolarHBondContact O-N 3.47Å; D424-I427 WeakPolarHBondContact O-CG1 3.3Å; D424-I427 PolarHBondContact O-N 2.7Å; D424-M428 HydrophobicContact CB-CE 4.5Å; D424-M428 WeakPolarHBondContact O-CB 3.25Å; D424-M428 WeakPolarHBondContact O-CE 3.49Å; D424-M428 VanDerWaalsContact O-CG 3.29Å; D424-M428 WeakPolarHBondContact O-CG 3.3Å; D424-M428 PolarHBondContact O-N 3.35Å
425	F	90.6	Very high	88.4	Confident	101 Å²	101	88.2 Å²	88.2	44%	0.443	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-35.4	171.9	-73.4	-74.1	0	0	0	112.9	L420 D421 K422 E423 M428 K429	L420-F425 HydrophobicContact CB-CD2 4.47Å; L420-F425 HydrophobicContact CB-CE2 3.73Å; L420-F425 HydrophobicContact CB-CZ 4.03Å; L420-F425 HydrophobicContact CD1-CZ 4.08Å; D421-F425 VanDerWaalsContact O-CD2 3.29Å; D421-F425 WeakPolarHBondContact O-CD2 3.41Å; D421-F425 PolarHBondContact O-N 3.48Å; K422-F425 PolarHBondContact O-N 2.81Å; E423-F425 VanDerWaalsContact C-N 3.34Å; E423-F425 PolarHBondContact O-N 3.08Å; F425-M428 HydrophobicContact CD1-CE 3.93Å; F425-M428 HydrophobicContact CE1-CE 4.29Å; F425-M428 HydrophobicContact CG-CE 4.34Å; F425-K429 WeakPolarHBondContact O-CB 3.43Å; F425-K429 VanDerWaalsContact O-CG 3.25Å; F425-K429 WeakPolarHBondContact O-CG 3.41Å; F425-K429 PolarHBondContact O-N 3.04Å
426	T	93	Very high	88.5	Confident	93 Å²	93	90.8 Å²	90.8	57%	0.571	44%	0.435	S	S	*	.	H	α-helix	trans	-69.8	-45.1	-179.5	-58.2	0	0	0	0	111.2	K422 E423 D424 K429 R430	K422-T426 PolarHBondContact O-N 3.21Å; K422-T426 PolarHBondContact O-OG1 2.91Å; E423-T426 WeakPolarHBondContact O-CA 3.46Å; E423-T426 WeakPolarHBondContact O-CB 2.93Å; E423-T426 PolarHBondContact O-N 2.89Å; D424-T426 VanDerWaalsContact C-N 3.28Å; D424-T426 PolarHBondContact O-N 3.47Å; T426-K429 PolarHBondContact O-N 2.93Å; T426-R430 WeakPolarHBondContact O-CB 3.32Å; T426-R430 PolarHBondContact O-N 3.45Å
427	I	91.6	Very high	88.8	Confident	64 Å²	64	87.4 Å²	87.4	33%	0.328	42%	0.417	S	S	.	.	H	α-helix	trans	-67.3	-38.2	177.2	66.3	177.4	0	0	0	111.6	T392 V396 E423 D424 R430 A431	T392-I427 HydrophobicContact CG2-CB 4.29Å; T392-I427 HydrophobicContact CG2-CD1 4.13Å; T392-I427 HydrophobicContact CG2-CG1 3.96Å; V396-I427 HydrophobicContact CG2-CD1 3.9Å; V396-I427 HydrophobicContact CG2-CG1 4.41Å; E423-I427 PolarHBondContact O-N 2.96Å; D424-I427 WeakPolarHBondContact O-CG1 3.3Å; D424-I427 PolarHBondContact O-N 2.7Å; I427-R430 PolarHBondContact O-N 2.7Å; I427-A431 WeakPolarHBondContact O-CB 3.21Å; I427-A431 PolarHBondContact O-N 3.21Å
428	M	91.8	Very high	89	Confident	55 Å²	55	89.4 Å²	89.4	27%	0.271	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-46.9	174.8	-74.4	-171.3	-72	0	0	111.4	V396 L420 D424 F425 R430 A431 I432	V396-M428 HydrophobicContact CG1-SD 4.41Å; V396-M428 HydrophobicContact CG2-CG 4.21Å; V396-M428 HydrophobicContact CG2-SD 4.46Å; L420-M428 HydrophobicContact CD1-CE 4.45Å; D424-M428 HydrophobicContact CB-CE 4.5Å; D424-M428 WeakPolarHBondContact O-CB 3.25Å; D424-M428 WeakPolarHBondContact O-CE 3.49Å; D424-M428 VanDerWaalsContact O-CG 3.29Å; D424-M428 WeakPolarHBondContact O-CG 3.3Å; D424-M428 PolarHBondContact O-N 3.35Å; F425-M428 HydrophobicContact CD1-CE 3.93Å; F425-M428 HydrophobicContact CE1-CE 4.29Å; F425-M428 HydrophobicContact CG-CE 4.34Å; M428-R430 PolarHBondContact O-N 3.05Å; M428-A431 PolarHBondContact O-N 3.41Å; M428-I432 WeakPolarHBondContact O-CG1 2.99Å; M428-I432 PolarHBondContact O-N 3.14Å
429	K	92.9	Very high	89.4	Confident	131 Å²	131	84.8 Å²	84.8	57%	0.57	41%	0.408	S	S	*	.	H	α-helix	trans	-59	-45.3	175.4	-76.5	175.1	-179	-178.1	0	111.7	F425 T426 A431 I432 F433	F425-K429 WeakPolarHBondContact O-CB 3.43Å; F425-K429 VanDerWaalsContact O-CG 3.25Å; F425-K429 WeakPolarHBondContact O-CG 3.41Å; F425-K429 PolarHBondContact O-N 3.04Å; T426-K429 PolarHBondContact O-N 2.93Å; K429-A431 VanDerWaalsContact C-N 3.32Å; K429-A431 PolarHBondContact O-N 3.48Å; K429-I432 PolarHBondContact O-N 3.42Å; K429-F433 HydrophobicContact CB-CE2 4.48Å; K429-F433 WeakPolarHBondContact O-CD2 3.49Å; K429-F433 PolarHBondContact O-N 3.36Å
430	R	92.1	Very high	89.9	Confident	184 Å²	184	90.1 Å²	90.1	69%	0.694	43%	0.431	S	S	*	.	H	α-helix	trans	-60	-41.7	176.8	179.7	178.9	163.3	-173.5	-5.4	111.8	T426 I427 M428 F433 A434	T426-R430 WeakPolarHBondContact O-CB 3.32Å; T426-R430 PolarHBondContact O-N 3.45Å; I427-R430 PolarHBondContact O-N 2.7Å; M428-R430 PolarHBondContact O-N 3.05Å; R430-F433 PolarHBondContact O-N 2.92Å; R430-A434 PolarHBondContact O-N 2.81Å
431	A	90.2	Very high	90.3	Very high	4 Å²	4	87.9 Å²	87.9	3%	0.033	42%	0.42	C	S	.	.	H	α-helix	trans	-65.7	-39.5	176.9	0	0	0	0	0	111.6	L389 T392 I427 M428 K429 A434	L389-A431 HydrophobicContact CD2-CB 3.79Å; T392-A431 HydrophobicContact CG2-CB 4.19Å; I427-A431 WeakPolarHBondContact O-CB 3.21Å; I427-A431 PolarHBondContact O-N 3.21Å; M428-A431 PolarHBondContact O-N 3.41Å; K429-A431 VanDerWaalsContact C-N 3.32Å; K429-A431 PolarHBondContact O-N 3.48Å; A431-A434 WeakPolarHBondContact O-CB 3.45Å; A431-A434 PolarHBondContact O-N 3.25Å
432	I	89.8	Confident	90.7	Very high	103 Å²	103	85.6 Å²	85.6	53%	0.528	41%	0.408	S	S	.	.	H	α-helix	trans	-63.2	-43.2	173.3	-67.2	164.8	0	0	0	111.3	M428 K429 A434 T435	M428-I432 WeakPolarHBondContact O-CG1 2.99Å; M428-I432 PolarHBondContact O-N 3.14Å; K429-I432 PolarHBondContact O-N 3.42Å; I432-A434 PolarHBondContact O-N 2.86Å; I432-T435 PolarHBondContact O-N 3.45Å; I432-T435 PolarHBondContact O-OG1 2.82Å
433	F	90.2	Very high	91.1	Very high	136 Å²	136	78.3 Å²	78.3	60%	0.596	38%	0.379	S	S	*	.	H	α-helix	trans	-60.2	-29.6	177	-80.7	-67.5	0	0	0	112.8	K429 R430 T435 Q436	K429-F433 HydrophobicContact CB-CE2 4.48Å; K429-F433 WeakPolarHBondContact O-CD2 3.49Å; K429-F433 PolarHBondContact O-N 3.36Å; R430-F433 PolarHBondContact O-N 2.92Å; F433-T435 PolarHBondContact O-N 2.85Å; F433-Q436 PolarHBondContact O-N 2.77Å
434	A	87.6	Confident	91.5	Very high	34 Å²	34	72 Å²	72	28%	0.281	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.9	176.2	0	0	0	0	0	113.8	R430 A431 I432	R430-A434 PolarHBondContact O-N 2.81Å; A431-A434 WeakPolarHBondContact O-CB 3.45Å; A431-A434 PolarHBondContact O-N 3.25Å; I432-A434 PolarHBondContact O-N 2.86Å
435	T	87.8	Confident	91.8	Very high	30 Å²	30	71.9 Å²	71.9	18%	0.184	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.1	178.6	75.9	0	0	0	0	113.4	G314 V385 L389 I432 F433 R437	G314-T435 WeakPolarHBondContact CA-O 3.17Å; V385-T435 HydrophobicContact CG1-CG2 4.04Å; L389-T435 HydrophobicContact CD1-CG2 3.61Å; L389-T435 HydrophobicContact CD2-CG2 3.93Å; L389-T435 HydrophobicContact CG-CG2 4.13Å; I432-T435 PolarHBondContact O-N 3.45Å; I432-T435 PolarHBondContact O-OG1 2.82Å; F433-T435 PolarHBondContact O-N 2.85Å; T435-R437 PolarHBondContact O-N 3.01Å
436	Q	86.8	Confident	92.1	Very high	125 Å²	125	67.4 Å²	67.4	58%	0.584	33%	0.331	S	S	*	.			trans	-66.1	132.8	-178.4	-67.1	-173.3	-9.8	0	0	111.1	F433	F433-Q436 PolarHBondContact O-N 2.77Å
437	R	87.1	Confident	92.3	Very high	28 Å²	28	66.5 Å²	66.5	11%	0.106	32%	0.322	C	S	.	.			trans	-149.6	143.6	-170.6	162	173.8	-174.4	162.3	20.8	109.4	H311 Y313 T435 S439 F440	H311-R437 PolarHBondContact O-NH1 2.76Å; Y313-R437 HydrophobicContact CE2-CB 3.91Å; Y313-R437 HydrophobicContact CE2-CG 4.5Å; Y313-R437 WeakPolarHBondContact O-CD 3.45Å; T435-R437 PolarHBondContact O-N 3.01Å; R437-S439 WeakPolarHBondContact CD-O 3.42Å; R437-S439 VanDerWaalsContact CG-O 3.29Å; R437-S439 WeakPolarHBondContact CG-O 3.34Å; R437-S439 PolarHBondContact NE-O 2.77Å; R437-S439 PolarHBondContact NE-OG 3.04Å; R437-S439 PolarHBondContact NH2-OG 3.37Å; R437-F440 PolarHBondContact NH2-O 3.41Å
438	Q	84.3	Confident	92.5	Very high	189 Å²	189	64.4 Å²	64.4	88%	0.883	31%	0.311	S	S	*	.	S	Bend	trans	-108.8	-22.8	180	-61.6	-63.3	-23.1	0	0	113.3
439	S	91.6	Very high	92.7	Very high	53 Å²	53	66.7 Å²	66.7	37%	0.371	32%	0.324	S	S	.	.	S	Bend	trans	-87.6	155.2	179.3	60.4	0	0	0	0	111.4	H315 R437	H315-S439 PolarHBondContact NE2-O 3.24Å; R437-S439 WeakPolarHBondContact CD-O 3.42Å; R437-S439 VanDerWaalsContact CG-O 3.29Å; R437-S439 WeakPolarHBondContact CG-O 3.34Å; R437-S439 PolarHBondContact NE-O 2.77Å; R437-S439 PolarHBondContact NE-OG 3.04Å; R437-S439 PolarHBondContact NH2-OG 3.37Å
440	F	94.6	Very high	92.7	Very high	116 Å²	116	63.7 Å²	63.7	51%	0.509	31%	0.314	S	S	.	.			trans	-72.6	149.8	168.9	-62.1	-46.1	0	0	0	112.2	R437 F466	R437-F440 PolarHBondContact NH2-O 3.41Å; F440-F466 WeakPolarHBondContact CB-O 3.45Å; F440-F466 HydrophobicContact CD2-CB 4.48Å
441	P	96.4	Very high	92.8	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.299	C	S	.	.			trans	-44.2	125.4	173.2	-29.3	36.4	0	0	0	112.3	F312 H315 V443 N467	F312-P441 HydrophobicContact CD1-CB 3.67Å; F312-P441 HydrophobicContact CD1-CG 3.51Å; F312-P441 HydrophobicContact CE1-CB 3.68Å; F312-P441 HydrophobicContact CE1-CG 3.9Å; F312-P441 HydrophobicContact CG-CB 4.23Å; F312-P441 HydrophobicContact CG-CG 4.22Å; F312-P441 HydrophobicContact CZ-CB 4.25Å; H315-P441 HydrophobicContact CB-CG 3.74Å; P441-V443 PolarHBondContact O-N 3.45Å; P441-N467 HydrophobicContact CB-CB 4Å; P441-N467 HydrophobicContact CG-CB 4.48Å; P441-N467 WeakPolarHBondContact O-CB 3.35Å; P441-N467 PolarHBondContact O-ND2 2.97Å
442	P	96.7	Very high	93.1	Very high	23 Å²	23	62.9 Å²	62.9	15%	0.149	33%	0.331	C	S	.	.			trans	-67.2	140.9	-170.1	31	-32	0	0	0	110	H311 C444	H311-P442 PolarHBondContact CE1-O 2.76Å; H311-P442 PolarHBondContact NE2-O 3.41Å; P442-C444 VanDerWaalsContact C-N 3.3Å
443	V	97.7	Very high	93.4	Very high	30 Å²	30	62 Å²	62	18%	0.182	33%	0.334	C	S	.	.	S	Bend	trans	-77.9	-16.8	177.4	-62.8	0	0	0	0	112.6	P441 L457 I460 I476 F477	P441-V443 PolarHBondContact O-N 3.45Å; V443-L457 HydrophobicContact CG2-CD2 3.98Å; V443-I460 HydrophobicContact CB-CD1 4.47Å; V443-I460 HydrophobicContact CB-CG2 4.3Å; V443-I460 HydrophobicContact CG1-CG2 4.04Å; V443-I460 HydrophobicContact CG2-CG2 4.25Å; V443-I476 CarbonylContact O-C 3.53Å; V443-F477 WeakPolarHBondContact O-CB 3.5Å; V443-F477 PolarHBondContact O-N 3.42Å
444	C	97.7	Very high	93.7	Very high	10 Å²	10	56.1 Å²	56.1	7%	0.068	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-121.8	144.8	176	-168.8	0	0	0	0	110.1	N376 P442 H446 L457 F477	N376-C444 PolarHBondContact ND2-O 3.3Å; P442-C444 VanDerWaalsContact C-N 3.3Å; C444-H446 PolarHBondContact SG-O 3.07Å; C444-H446 VanDerWaalsContact SG-O 3.37Å; C444-L457 HydrophobicContact CB-CD2 4.08Å; C444-F477 CarbonylContact C-O 3.35Å; C444-F477 WeakPolarHBondContact CA-O 3.21Å; C444-F477 HydrophobicContact CB-CD1 4.49Å
445	T	97.3	Very high	94.1	Very high	0 Å²	0	57 Å²	57	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-89.2	-12.3	177.1	56.8	0	0	0	0	113.9	F307 N376 T379 I476 F477 H478	F307-T445 HydrophobicContact CZ-CG2 4.06Å; N376-T445 PolarHBondContact N-O 3.15Å; N376-T445 PolarHBondContact OD1-O 3.48Å; T379-T445 HydrophobicContact CG2-CG2 4.3Å; T445-I476 HydrophobicContact CG2-CG2 3.8Å; T445-F477 PolarHBondContact N-O 3.11Å; T445-F477 PolarHBondContact OG1-O 3.34Å; T445-H478 PolarHBondContact OG1-ND1 3.2Å
446	H	96.9	Very high	94.6	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.032	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	164.5	-175.3	-64.9	78.4	0	0	0	112	T372 F375 C444 H478 P479 E480	T372-H446 HydrophobicContact CG2-CB 3.73Å; F375-H446 AromaticContact CD1-CD2 3.6Å; F375-H446 AromaticContact CD1-CE1 3.82Å; F375-H446 AromaticContact CD1-NE2 3.21Å; F375-H446 WeakPolarHBondContact CD1-NE2 3.35Å; F375-H446 AromaticContact CE1-CD2 3.92Å; F375-H446 AromaticContact CE1-CE1 3.79Å; F375-H446 AromaticContact CE1-NE2 3.11Å; F375-H446 WeakPolarHBondContact CE1-NE2 3.24Å; C444-H446 PolarHBondContact SG-O 3.07Å; C444-H446 VanDerWaalsContact SG-O 3.37Å; H446-H478 AromaticContact CE1-CE1 3.83Å; H446-P479 HydrophobicContact CB-CG 3.64Å; H446-P479 WeakPolarHBondContact ND1-CD 3.39Å; H446-E480 IonicContact CE1-OE2 2.63Å; H446-E480 IonicContact NE2-OE2 3.29Å; H446-E480 PolarHBondContact NE2-OE2 3.01Å; H446-E480 VanDerWaalsContact NE2-OE2 3.09Å
447	N	96.6	Very high	95.2	Very high	73 Å²	73	49.9 Å²	49.9	39%	0.39	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.5	166	-45.8	-60.7	0	0	0	108.3	T372 N373 N374 F375	T372-N447 CarbonylContact C-O 3.47Å; T372-N447 WeakPolarHBondContact CA-O 3.49Å; N373-N447 PolarHBondContact N-O 2.82Å; N373-N447 WeakPolarHBondContact O-CB 3.49Å; N373-N447 PolarHBondContact O-ND2 2.98Å; N374-N447 PolarHBondContact O-N 3.21Å; N374-N447 VanDerWaalsContact O-N 3.1Å; F375-N447 PolarHBondContact O-ND2 3.5Å; F375-N447 VanDerWaalsContact O-ND2 3.12Å
448	M	96.6	Very high	95.7	Very high	21 Å²	21	51.4 Å²	51.4	10%	0.103	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	140.9	178	-61.2	-63.2	-69.6	0	0	110.3	A370 T372 D451 D454 L457 F477 P479	A370-M448 HydrophobicContact CB-CE 3.42Å; A370-M448 VanDerWaalsContact CB-CE 3.42Å; A370-M448 HydrophobicContact CB-SD 4.3Å; T372-M448 HydrophobicContact CG2-SD 3.78Å; M448-D451 HydrophobicContact CB-CB 3.97Å; M448-D454 HydrophobicContact CE-CB 4.46Å; M448-D454 WeakPolarHBondContact CE-OD2 3.28Å; M448-L457 HydrophobicContact CB-CD1 4.4Å; M448-L457 HydrophobicContact CG-CD1 3.64Å; M448-F477 HydrophobicContact CE-CE1 3.77Å; M448-F477 HydrophobicContact CE-CZ 4.17Å; M448-F477 HydrophobicContact SD-CE1 3.92Å; M448-P479 HydrophobicContact CE-CB 4.35Å; M448-P479 HydrophobicContact SD-CB 3.75Å; M448-P479 HydrophobicContact SD-CG 3.6Å; M448-P479 VanDerWaalsContact SD-CG 3.6Å
449	L	94.8	Very high	96.3	Very high	102 Å²	102	42.8 Å²	42.8	53%	0.534	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.1	174.2	-80.3	168.9	0	0	0	111.8	R371 N373	R371-L449 HydrophobicContact CB-CB 4.34Å; R371-L449 HydrophobicContact CB-CD1 3.83Å; R371-L449 PolarHBondContact O-N 3.38Å; N373-L449 HydrophobicContact CB-CD2 4.31Å
450	D	94.1	Very high	96.6	Very high	68 Å²	68	40.3 Å²	40.3	36%	0.364	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	50.6	-179.4	-44.6	-70.1	0	0	0	111.4	R371 S452 S453 D454	R371-D450 IonicContact CZ-OD2 3.17Å; R371-D450 IonicContact NE-OD2 2.75Å; R371-D450 PolarHBondContact NE-OD2 2.85Å; R371-D450 VanDerWaalsContact NH2-CG 3.28Å; R371-D450 IonicContact NH2-OD1 3.93Å; R371-D450 PolarHBondContact NH2-OD1 3.43Å; R371-D450 IonicContact NH2-OD2 3.66Å; R371-D450 PolarHBondContact NH2-OD2 3.27Å; D450-S452 PolarHBondContact O-N 3.39Å; D450-S452 VanDerWaalsContact O-N 3.13Å; D450-S453 WeakPolarHBondContact CB-OG 3.48Å; D450-S453 PolarHBondContact O-N 3.2Å; D450-S453 PolarHBondContact O-OG 3.17Å; D450-D454 WeakPolarHBondContact O-CB 3.41Å; D450-D454 PolarHBondContact O-N 3.33Å
451	D	95.1	Very high	96.8	Very high	72 Å²	72	39.3 Å²	39.3	39%	0.385	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.1	-173.8	-179.3	-93.4	0	0	0	115	M448 L457 R461	M448-D451 HydrophobicContact CB-CB 3.97Å; D451-L457 WeakPolarHBondContact OD2-CD1 3.49Å; D451-R461 PolarHBondContact O-NH1 3.25Å; D451-R461 PolarHBondContact O-NH2 3.2Å; D451-R461 IonicContact OD1-CZ 2.98Å; D451-R461 IonicContact OD1-NH2 3.91Å; D451-R461 PolarHBondContact OD1-NH2 3.13Å; D451-R461 IonicContact OD2-NH2 3.72Å; D451-R461 PolarHBondContact OD2-NH2 3.17Å
452	S	94.9	Very high	96.8	Very high	100 Å²	100	47.3 Å²	47.3	70%	0.699	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-25.5	-175.7	58.4	0	0	0	0	114	D450 T458	D450-S452 PolarHBondContact O-N 3.39Å; D450-S452 VanDerWaalsContact O-N 3.13Å; S452-T458 PolarHBondContact O-OG1 3Å
453	S	96.1	Very high	96.9	Very high	85 Å²	85	48.1 Å²	48.1	59%	0.594	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-5.5	178.3	57.4	0	0	0	0	113.1	D450 P455	D450-S453 WeakPolarHBondContact CB-OG 3.48Å; D450-S453 PolarHBondContact O-N 3.2Å; D450-S453 PolarHBondContact O-OG 3.17Å; S453-P455 WeakPolarHBondContact O-CD 3.35Å
454	D	97.4	Very high	96.8	Very high	12 Å²	12	48.1 Å²	48.1	6%	0.064	26%	0.263	C	S	.	.			trans	-57.4	122.8	175.9	179.6	-89.5	0	0	0	110.9	Y332 M448 D450 I456 L457 T458	Y332-D454 WeakPolarHBondContact CE1-OD2 3.28Å; Y332-D454 PolarHBondContact OH-OD1 3.4Å; Y332-D454 VanDerWaalsContact OH-OD1 3.07Å; Y332-D454 PolarHBondContact OH-OD2 2.84Å; M448-D454 HydrophobicContact CE-CB 4.46Å; M448-D454 WeakPolarHBondContact CE-OD2 3.28Å; D450-D454 WeakPolarHBondContact O-CB 3.41Å; D450-D454 PolarHBondContact O-N 3.33Å; D454-I456 PolarHBondContact O-N 3.31Å; D454-I456 PolarHBondContact OD1-N 2.83Å; D454-I456 VanDerWaalsContact OD1-N 3.13Å; D454-L457 HydrophobicContact CB-CB 4.15Å; D454-L457 HydrophobicContact CB-CD1 4.23Å; D454-L457 HydrophobicContact CB-CG 4.29Å; D454-L457 PolarHBondContact O-N 2.86Å; D454-L457 WeakPolarHBondContact OD1-CG 3.38Å; D454-L457 PolarHBondContact OD1-N 3.34Å; D454-T458 WeakPolarHBondContact O-CB 2.84Å; D454-T458 PolarHBondContact O-N 3.22Å; D454-T458 PolarHBondContact O-OG1 3.32Å
455	P	96.7	Very high	96.8	Very high	53 Å²	53	47.7 Å²	47.7	34%	0.344	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-38.6	-174.5	-26.6	35.1	0	0	0	114.4	F334 S453 T459	F334-P455 HydrophobicContact CB-CB 4.06Å; F334-P455 HydrophobicContact CB-CG 4.47Å; F334-P455 HydrophobicContact CD1-CB 3.6Å; F334-P455 HydrophobicContact CD2-CB 3.77Å; F334-P455 HydrophobicContact CE1-CB 3.88Å; F334-P455 HydrophobicContact CE2-CB 4.07Å; F334-P455 HydrophobicContact CG-CB 3.53Å; F334-P455 HydrophobicContact CG-CG 4.43Å; F334-P455 HydrophobicContact CZ-CB 4.12Å; S453-P455 WeakPolarHBondContact O-CD 3.35Å; P455-T459 VanDerWaalsContact O-CB 3.26Å; P455-T459 WeakPolarHBondContact O-CB 3.41Å; P455-T459 PolarHBondContact O-N 2.68Å; P455-T459 PolarHBondContact O-OG1 3.39Å
456	I	97.8	Very high	96.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-52.5	178.9	-71.7	176.3	0	0	0	109.4	Y332 F334 L343 F366 M368 D454 T458 T459 I460 F477	Y332-I456 HydrophobicContact CE2-CD1 3.78Å; Y332-I456 HydrophobicContact CE2-CG1 4.04Å; Y332-I456 WeakPolarHBondContact OH-CG1 3.5Å; F334-I456 HydrophobicContact CD2-CG1 3.79Å; F334-I456 HydrophobicContact CE2-CG1 3.88Å; L343-I456 HydrophobicContact CD1-CG2 4.36Å; F366-I456 HydrophobicContact CB-CD1 4.49Å; F366-I456 HydrophobicContact CD1-CD1 4.09Å; M368-I456 HydrophobicContact SD-CD1 3.96Å; D454-I456 PolarHBondContact O-N 3.31Å; D454-I456 PolarHBondContact OD1-N 2.83Å; D454-I456 VanDerWaalsContact OD1-N 3.13Å; I456-T458 PolarHBondContact O-N 2.84Å; I456-T459 PolarHBondContact O-N 2.79Å; I456-I460 HydrophobicContact CG2-CD1 3.74Å; I456-I460 HydrophobicContact CG2-CG1 4.48Å; I456-I460 VanDerWaalsContact O-CG1 3.31Å; I456-I460 WeakPolarHBondContact O-CG1 3.28Å; I456-I460 PolarHBondContact O-N 3.06Å; I456-F477 HydrophobicContact CB-CD1 4.47Å; I456-F477 HydrophobicContact CB-CE1 4.36Å; I456-F477 HydrophobicContact CD1-CD2 4.14Å; I456-F477 HydrophobicContact CD1-CE2 3.77Å; I456-F477 HydrophobicContact CD1-CZ 3.97Å; I456-F477 HydrophobicContact CG2-CB 4.34Å; I456-F477 HydrophobicContact CG2-CD1 4Å; I456-F477 HydrophobicContact CG2-CD2 4.38Å; I456-F477 HydrophobicContact CG2-CE1 4.37Å; I456-F477 HydrophobicContact CG2-CG 4Å
457	L	98.1	Very high	96.8	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-65.5	-40.1	-178.2	-65.7	-178	0	0	0	112.5	V443 C444 M448 D451 D454 T459 I460 R461 F477	V443-L457 HydrophobicContact CG2-CD2 3.98Å; C444-L457 HydrophobicContact CB-CD2 4.08Å; M448-L457 HydrophobicContact CB-CD1 4.4Å; M448-L457 HydrophobicContact CG-CD1 3.64Å; D451-L457 WeakPolarHBondContact OD2-CD1 3.49Å; D454-L457 HydrophobicContact CB-CB 4.15Å; D454-L457 HydrophobicContact CB-CD1 4.23Å; D454-L457 HydrophobicContact CB-CG 4.29Å; D454-L457 PolarHBondContact O-N 2.86Å; D454-L457 WeakPolarHBondContact OD1-CG 3.38Å; D454-L457 PolarHBondContact OD1-N 3.34Å; L457-T459 VanDerWaalsContact C-N 3.3Å; L457-T459 PolarHBondContact O-N 3.26Å; L457-I460 HydrophobicContact CD2-CD1 4.42Å; L457-I460 PolarHBondContact O-N 3.07Å; L457-R461 VanDerWaalsContact O-CG 3.29Å; L457-R461 WeakPolarHBondContact O-CG 3.4Å; L457-R461 PolarHBondContact O-N 3.01Å; L457-F477 HydrophobicContact CD2-CD1 3.95Å; L457-F477 HydrophobicContact CG-CD1 4.1Å; L457-F477 HydrophobicContact CG-CE1 4.41Å
458	T	97.9	Very high	96.8	Very high	60 Å²	60	49.6 Å²	49.6	37%	0.368	27%	0.269	S	S	.	.	H	α-helix	trans	-61.5	-41.8	175	-59.2	0	0	0	0	111.2	S452 D454 I456 R461 R462	S452-T458 PolarHBondContact O-OG1 3Å; D454-T458 WeakPolarHBondContact O-CB 2.84Å; D454-T458 PolarHBondContact O-N 3.22Å; D454-T458 PolarHBondContact O-OG1 3.32Å; I456-T458 PolarHBondContact O-N 2.84Å; T458-R461 PolarHBondContact O-N 3.04Å; T458-R462 WeakPolarHBondContact O-CB 3.36Å; T458-R462 PolarHBondContact O-N 3.03Å
459	T	97.9	Very high	96.6	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-43.6	177	-60.4	0	0	0	0	111.7	F334 L343 P455 I456 L457 R461 R462 I463	F334-T459 WeakPolarHBondContact CZ-OG1 3.23Å; L343-T459 HydrophobicContact CB-CG2 3.86Å; L343-T459 HydrophobicContact CD1-CG2 3.63Å; L343-T459 HydrophobicContact CG-CG2 4.36Å; P455-T459 VanDerWaalsContact O-CB 3.26Å; P455-T459 WeakPolarHBondContact O-CB 3.41Å; P455-T459 PolarHBondContact O-N 2.68Å; P455-T459 PolarHBondContact O-OG1 3.39Å; I456-T459 PolarHBondContact O-N 2.79Å; L457-T459 VanDerWaalsContact C-N 3.3Å; L457-T459 PolarHBondContact O-N 3.26Å; T459-R461 VanDerWaalsContact C-N 3.3Å; T459-R461 PolarHBondContact O-N 3.42Å; T459-R462 WeakPolarHBondContact O-CB 3.46Å; T459-R462 PolarHBondContact O-N 3.48Å; T459-R462 VanDerWaalsContact O-N 3.1Å; T459-I463 HydrophobicContact CG2-CD1 4.47Å; T459-I463 HydrophobicContact CG2-CG2 4.38Å; T459-I463 WeakPolarHBondContact O-CG1 3.42Å; T459-I463 PolarHBondContact O-N 2.84Å
460	I	98.1	Very high	96.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-44.6	174.6	-70.9	167.7	0	0	0	110.9	L343 V443 I456 L457 I463 G464 L465 V475	L343-I460 HydrophobicContact CD1-CG1 4.48Å; L343-I460 HydrophobicContact CD2-CD1 4.35Å; L343-I460 HydrophobicContact CD2-CG1 3.75Å; V443-I460 HydrophobicContact CB-CD1 4.47Å; V443-I460 HydrophobicContact CB-CG2 4.3Å; V443-I460 HydrophobicContact CG1-CG2 4.04Å; V443-I460 HydrophobicContact CG2-CG2 4.25Å; I456-I460 HydrophobicContact CG2-CD1 3.74Å; I456-I460 HydrophobicContact CG2-CG1 4.48Å; I456-I460 VanDerWaalsContact O-CG1 3.31Å; I456-I460 WeakPolarHBondContact O-CG1 3.28Å; I456-I460 PolarHBondContact O-N 3.06Å; L457-I460 HydrophobicContact CD2-CD1 4.42Å; L457-I460 PolarHBondContact O-N 3.07Å; I460-I463 PolarHBondContact O-N 3.44Å; I460-G464 PolarHBondContact O-N 3.11Å; I460-L465 VanDerWaalsContact CG2-O 3.31Å; I460-L465 WeakPolarHBondContact CG2-O 3.3Å; I460-L465 PolarHBondContact O-N 3.35Å; I460-V475 HydrophobicContact CD1-CG1 3.71Å; I460-V475 HydrophobicContact CG1-CG1 4.36Å
461	R	97.7	Very high	96.8	Very high	96 Å²	96	46.1 Å²	46.1	36%	0.362	26%	0.263	S	S	.	.	H	α-helix	trans	-62	-42	175.3	-69.2	173.7	-162.2	116.8	6.5	112	D451 L457 T458 T459 F466	D451-R461 PolarHBondContact O-NH1 3.25Å; D451-R461 PolarHBondContact O-NH2 3.2Å; D451-R461 IonicContact OD1-CZ 2.98Å; D451-R461 IonicContact OD1-NH2 3.91Å; D451-R461 PolarHBondContact OD1-NH2 3.13Å; D451-R461 IonicContact OD2-NH2 3.72Å; D451-R461 PolarHBondContact OD2-NH2 3.17Å; L457-R461 VanDerWaalsContact O-CG 3.29Å; L457-R461 WeakPolarHBondContact O-CG 3.4Å; L457-R461 PolarHBondContact O-N 3.01Å; T458-R461 PolarHBondContact O-N 3.04Å; T459-R461 VanDerWaalsContact C-N 3.3Å; T459-R461 PolarHBondContact O-N 3.42Å; R461-F466 HydrophobicContact CB-CE1 4.39Å; R461-F466 HydrophobicContact CG-CE1 4.16Å
462	R	97.7	Very high	96.9	Very high	169 Å²	169	46.5 Å²	46.5	64%	0.638	26%	0.259	S	S	*	.	H	α-helix	trans	-63.4	-44.1	179.1	-174.4	-170.9	72.8	-160.5	3.4	112.4	T458 T459	T458-R462 WeakPolarHBondContact O-CB 3.36Å; T458-R462 PolarHBondContact O-N 3.03Å; T459-R462 WeakPolarHBondContact O-CB 3.46Å; T459-R462 PolarHBondContact O-N 3.48Å; T459-R462 VanDerWaalsContact O-N 3.1Å
463	I	96.9	Very high	97.1	Very high	39 Å²	39	41.8 Å²	41.8	20%	0.2	23%	0.226	C	C	.	.	H	α-helix	trans	-86.6	-10.9	-176.5	69.4	-171	0	0	0	113.5	L343 A347 T459 I460 L465	L343-I463 HydrophobicContact CB-CD1 4.07Å; L343-I463 HydrophobicContact CD2-CD1 4.32Å; A347-I463 HydrophobicContact CB-CB 4.08Å; A347-I463 HydrophobicContact CB-CD1 4.24Å; A347-I463 HydrophobicContact CB-CG1 4.45Å; T459-I463 HydrophobicContact CG2-CD1 4.47Å; T459-I463 HydrophobicContact CG2-CG2 4.38Å; T459-I463 WeakPolarHBondContact O-CG1 3.42Å; T459-I463 PolarHBondContact O-N 2.84Å; I460-I463 PolarHBondContact O-N 3.44Å; I463-L465 HydrophobicContact CD1-CD1 3.76Å; I463-L465 HydrophobicContact CD1-CG 4.14Å; I463-L465 HydrophobicContact CG1-CB 4.31Å; I463-L465 HydrophobicContact CG1-CD1 4.25Å; I463-L465 HydrophobicContact CG1-CG 4.06Å
464	G	96.6	Very high	97.2	Very high	30 Å²	30	37.9 Å²	37.9	31%	0.309	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	20.9	172.8	0	0	0	0	0	116	I460 F466	I460-G464 PolarHBondContact O-N 3.11Å; G464-F466 WeakPolarHBondContact O-CD2 3.38Å; G464-F466 PolarHBondContact O-N 3.35Å; G464-F466 VanDerWaalsContact O-N 3.14Å
465	L	96.8	Very high	97.3	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.195	C	C	.	.			trans	-84.6	77.3	177.7	-71.4	179.7	0	0	0	111.6	L346 A347 N350 I460 I463 V475	L346-L465 HydrophobicContact CB-CD1 4.21Å; A347-L465 HydrophobicContact CB-CD1 4.42Å; N350-L465 HydrophobicContact CB-CD2 3.97Å; N350-L465 WeakPolarHBondContact ND2-CD2 3.19Å; I460-L465 VanDerWaalsContact CG2-O 3.31Å; I460-L465 WeakPolarHBondContact CG2-O 3.3Å; I460-L465 PolarHBondContact O-N 3.35Å; I463-L465 HydrophobicContact CD1-CD1 3.76Å; I463-L465 HydrophobicContact CD1-CG 4.14Å; I463-L465 HydrophobicContact CG1-CB 4.31Å; I463-L465 HydrophobicContact CG1-CD1 4.25Å; I463-L465 HydrophobicContact CG1-CG 4.06Å; L465-V475 HydrophobicContact CB-CG2 4.27Å; L465-V475 HydrophobicContact CD1-CG2 3.97Å
466	F	96.9	Very high	97.4	Very high	93 Å²	93	34.9 Å²	34.9	41%	0.408	18%	0.179	S	C	.	.			trans	-95.7	18	-174.9	-59.5	-62.5	0	0	0	114.8	F440 R461 G464 S468	F440-F466 WeakPolarHBondContact CB-O 3.45Å; F440-F466 HydrophobicContact CD2-CB 4.48Å; R461-F466 HydrophobicContact CB-CE1 4.39Å; R461-F466 HydrophobicContact CG-CE1 4.16Å; G464-F466 WeakPolarHBondContact O-CD2 3.38Å; G464-F466 PolarHBondContact O-N 3.35Å; G464-F466 VanDerWaalsContact O-N 3.14Å; F466-S468 VanDerWaalsContact C-N 3.26Å; F466-S468 PolarHBondContact O-N 3.41Å
467	N	97.8	Very high	97.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.179	C	C	.	.			trans	57.8	35	-174.7	-63	-31.2	0	0	0	113.7	F312 P441 K474 V475	F312-N467 HydrophobicContact CE1-CB 4.1Å; P441-N467 HydrophobicContact CB-CB 4Å; P441-N467 HydrophobicContact CG-CB 4.48Å; P441-N467 WeakPolarHBondContact O-CB 3.35Å; P441-N467 PolarHBondContact O-ND2 2.97Å; N467-K474 WeakPolarHBondContact OD1-CA 3.32Å; N467-K474 WeakPolarHBondContact OD1-CB 3.5Å; N467-V475 PolarHBondContact ND2-O 3.46Å; N467-V475 PolarHBondContact OD1-N 2.76Å; N467-V475 PolarHBondContact OD1-O 3.5Å
468	S	96.1	Very high	97.4	Very high	25 Å²	25	34.8 Å²	34.8	18%	0.175	18%	0.179	C	C	.	.			trans	-67.3	161.3	176.4	75.8	0	0	0	0	111	F466 A470 D471 K474	F466-S468 VanDerWaalsContact C-N 3.26Å; F466-S468 PolarHBondContact O-N 3.41Å; S468-A470 PolarHBondContact O-N 3.2Å; S468-A470 PolarHBondContact OG-N 2.93Å; S468-D471 WeakPolarHBondContact CB-OD2 3.3Å; S468-D471 PolarHBondContact N-OD2 2.99Å; S468-D471 PolarHBondContact O-N 3.12Å; S468-D471 VanDerWaalsContact O-N 3.1Å; S468-D471 PolarHBondContact OG-N 2.63Å; S468-D471 PolarHBondContact OG-OD2 2.89Å; S468-K474 PolarHBondContact O-NZ 2.88Å
469	S	93.9	Very high	97.3	Very high	57 Å²	57	32 Å²	32	40%	0.399	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.5	173.8	-72.3	0	0	0	0	113.7	D317 D471	D317-S469 WeakPolarHBondContact OD2-CA 3.32Å; D317-S469 WeakPolarHBondContact OD2-CB 3.27Å; D317-S469 PolarHBondContact OD2-OG 2.88Å; S469-D471 VanDerWaalsContact C-N 3.33Å
470	A	94.6	Very high	97.2	Very high	53 Å²	53	35.5 Å²	35.5	44%	0.438	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-20.4	179.2	0	0	0	0	0	113.4	R354 S468	R354-A470 VanDerWaalsContact CD-O 3.32Å; R354-A470 WeakPolarHBondContact CD-O 3.42Å; R354-A470 PolarHBondContact NE-O 2.82Å; S468-A470 PolarHBondContact O-N 3.2Å; S468-A470 PolarHBondContact OG-N 2.93Å
471	D	97.5	Very high	96.9	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.048	21%	0.209	C	C	.	.			trans	-75.6	126.1	-179.1	-63.8	-44.6	0	0	0	110.8	N350 S468 S469 V473 K474	N350-D471 PolarHBondContact ND2-OD1 2.82Å; N350-D471 WeakPolarHBondContact OD1-CA 3.49Å; S468-D471 WeakPolarHBondContact CB-OD2 3.3Å; S468-D471 PolarHBondContact N-OD2 2.99Å; S468-D471 PolarHBondContact O-N 3.12Å; S468-D471 VanDerWaalsContact O-N 3.1Å; S468-D471 PolarHBondContact OG-N 2.63Å; S468-D471 PolarHBondContact OG-OD2 2.89Å; S469-D471 VanDerWaalsContact C-N 3.33Å; D471-V473 WeakPolarHBondContact CB-O 3.42Å; D471-K474 HydrophobicContact CB-CD 4.48Å; D471-K474 VanDerWaalsContact O-CE 3.29Å; D471-K474 WeakPolarHBondContact O-CE 3.32Å; D471-K474 PolarHBondContact O-NZ 3.39Å
472	R	98.1	Very high	96.7	Very high	80 Å²	80	39.2 Å²	39.2	30%	0.302	20%	0.197	S	C	.	.	S	Bend	trans	-83.3	-18.5	170.7	-68.3	-56.9	-162.2	-150.5	1.3	112.4	N350 L353 R354 S358 T361 V362	N350-R472 PolarHBondContact OD1-N 3.12Å; L353-R472 HydrophobicContact CB-CB 3.67Å; L353-R472 HydrophobicContact CB-CG 4.03Å; L353-R472 HydrophobicContact CD1-CB 4.04Å; R354-R472 HydrophobicContact CG-CB 4.48Å; R354-R472 HydrophobicContact CG-CG 3.91Å; S358-R472 PolarHBondContact O-NE 2.81Å; S358-R472 PolarHBondContact O-NH2 3.45Å; T361-R472 CarbonylContact C-O 3.53Å; T361-R472 WeakPolarHBondContact CA-O 3.38Å; V362-R472 PolarHBondContact N-O 3.28Å
473	V	98.6	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	122.8	172.4	-178.8	0	0	0	0	108.9	L346 L349 N350 L353 V362 D471	L346-V473 HydrophobicContact CB-CG1 4.15Å; L346-V473 HydrophobicContact CD2-CG1 3.81Å; L346-V473 HydrophobicContact CG-CG1 4.44Å; L349-V473 HydrophobicContact CB-CG2 4.33Å; L349-V473 HydrophobicContact CD2-CG2 3.98Å; L349-V473 HydrophobicContact CG-CG2 3.97Å; N350-V473 HydrophobicContact CB-CB 3.97Å; N350-V473 HydrophobicContact CB-CG2 3.85Å; N350-V473 PolarHBondContact OD1-N 3.05Å; N350-V473 VanDerWaalsContact OD1-N 3.12Å; L353-V473 HydrophobicContact CD1-CG2 4.04Å; V362-V473 HydrophobicContact CB-CG1 4.44Å; V362-V473 HydrophobicContact CB-CG2 4.23Å; V362-V473 HydrophobicContact CG1-CG1 4.45Å; V362-V473 CarbonylContact O-C 3.24Å; V362-V473 WeakPolarHBondContact O-CA 3.35Å; D471-V473 WeakPolarHBondContact CB-O 3.42Å
474	K	98.6	Very high	96.1	Very high	4 Å²	4	34 Å²	34	2%	0.017	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	147.9	173.8	-43	-57.9	-166.6	-173.8	0	109.6	F312 T361 V362 V363 A364 N467 S468 D471	F312-K474 HydrophobicContact CE1-CB 3.97Å; F312-K474 HydrophobicContact CE1-CD 4.02Å; F312-K474 HydrophobicContact CE1-CG 3.8Å; F312-K474 HydrophobicContact CZ-CB 3.64Å; F312-K474 HydrophobicContact CZ-CG 3.93Å; T361-K474 HydrophobicContact CG2-CG 4.22Å; V362-K474 PolarHBondContact O-N 3.22Å; V363-K474 WeakPolarHBondContact CA-O 3.36Å; V363-K474 HydrophobicContact CG2-CB 4.13Å; V363-K474 HydrophobicContact CG2-CG 4.21Å; A364-K474 PolarHBondContact N-O 2.97Å; N467-K474 WeakPolarHBondContact OD1-CA 3.32Å; N467-K474 WeakPolarHBondContact OD1-CB 3.5Å; S468-K474 PolarHBondContact O-NZ 2.88Å; D471-K474 HydrophobicContact CB-CD 4.48Å; D471-K474 VanDerWaalsContact O-CE 3.29Å; D471-K474 WeakPolarHBondContact O-CE 3.32Å; D471-K474 PolarHBondContact O-NZ 3.39Å
475	V	98.6	Very high	95.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.9	-178.7	-179.3	0	0	0	0	110.3	A364 F366 I460 L465 N467	A364-V475 WeakPolarHBondContact O-CA 3.17Å; F366-V475 HydrophobicContact CD2-CG1 3.88Å; F366-V475 HydrophobicContact CE2-CG1 3.78Å; I460-V475 HydrophobicContact CD1-CG1 3.71Å; I460-V475 HydrophobicContact CG1-CG1 4.36Å; L465-V475 HydrophobicContact CB-CG2 4.27Å; L465-V475 HydrophobicContact CD1-CG2 3.97Å; N467-V475 PolarHBondContact ND2-O 3.46Å; N467-V475 PolarHBondContact OD1-N 2.76Å; N467-V475 PolarHBondContact OD1-O 3.5Å
476	I	98.6	Very high	95.5	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	109	175	-52.3	179.6	0	0	0	108.8	F307 F312 V363 A364 F365 F366 V443 T445	F307-I476 HydrophobicContact CE1-CD1 3.75Å; F307-I476 HydrophobicContact CE1-CG2 4.27Å; F307-I476 HydrophobicContact CZ-CG2 4.31Å; F312-I476 HydrophobicContact CE2-CD1 3.88Å; F312-I476 HydrophobicContact CE2-CG1 4.39Å; V363-I476 HydrophobicContact CG1-CD1 3.62Å; V363-I476 HydrophobicContact CG1-CG1 4.06Å; A364-I476 PolarHBondContact O-N 3.06Å; F365-I476 CarbonylContact C-O 3.5Å; F365-I476 VanDerWaalsContact CA-O 3.32Å; F365-I476 WeakPolarHBondContact CA-O 3.43Å; F365-I476 HydrophobicContact CD1-CB 4.03Å; F365-I476 HydrophobicContact CD1-CD1 4.38Å; F365-I476 HydrophobicContact CD1-CG2 4.2Å; F365-I476 HydrophobicContact CE1-CB 4.23Å; F365-I476 HydrophobicContact CE1-CD1 3.76Å; F365-I476 HydrophobicContact CE1-CG2 4.26Å; F365-I476 HydrophobicContact CZ-CD1 3.91Å; F366-I476 PolarHBondContact N-O 3.05Å; V443-I476 CarbonylContact O-C 3.53Å; T445-I476 HydrophobicContact CG2-CG2 3.8Å
477	F	98.6	Very high	95.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.1	170.2	-178.2	-150.6	0	0	0	109.9	Y332 F366 M368 A370 V443 C444 T445 M448 I456 L457 P479	Y332-F477 HydrophobicContact CD1-CZ 4.47Å; Y332-F477 HydrophobicContact CE1-CE1 4.48Å; Y332-F477 HydrophobicContact CE1-CE2 4.49Å; Y332-F477 AromaticContact CE1-CZ 3.66Å; Y332-F477 HydrophobicContact CE1-CZ 3.66Å; Y332-F477 AromaticContact CZ-CZ 3.99Å; F366-F477 HydrophobicContact CB-CB 4.48Å; F366-F477 HydrophobicContact CB-CD2 3.78Å; F366-F477 WeakPolarHBondContact O-CD2 3.21Å; M368-F477 HydrophobicContact CB-CE2 4.23Å; A370-F477 HydrophobicContact CB-CZ 4.38Å; V443-F477 WeakPolarHBondContact O-CB 3.5Å; V443-F477 PolarHBondContact O-N 3.42Å; C444-F477 CarbonylContact C-O 3.35Å; C444-F477 WeakPolarHBondContact CA-O 3.21Å; C444-F477 HydrophobicContact CB-CD1 4.49Å; T445-F477 PolarHBondContact N-O 3.11Å; T445-F477 PolarHBondContact OG1-O 3.34Å; M448-F477 HydrophobicContact CE-CE1 3.77Å; M448-F477 HydrophobicContact CE-CZ 4.17Å; M448-F477 HydrophobicContact SD-CE1 3.92Å; I456-F477 HydrophobicContact CB-CD1 4.47Å; I456-F477 HydrophobicContact CB-CE1 4.36Å; I456-F477 HydrophobicContact CD1-CD2 4.14Å; I456-F477 HydrophobicContact CD1-CE2 3.77Å; I456-F477 HydrophobicContact CD1-CZ 3.97Å; I456-F477 HydrophobicContact CG2-CB 4.34Å; I456-F477 HydrophobicContact CG2-CD1 4Å; I456-F477 HydrophobicContact CG2-CD2 4.38Å; I456-F477 HydrophobicContact CG2-CE1 4.37Å; I456-F477 HydrophobicContact CG2-CG 4Å; L457-F477 HydrophobicContact CD2-CD1 3.95Å; L457-F477 HydrophobicContact CG-CD1 4.1Å; L457-F477 HydrophobicContact CG-CE1 4.41Å; F477-P479 HydrophobicContact CE1-CB 4.09Å; F477-P479 HydrophobicContact CE1-CG 4.48Å; F477-P479 HydrophobicContact CE2-CB 3.86Å; F477-P479 HydrophobicContact CZ-CB 3.63Å; F477-P479 HydrophobicContact CZ-CG 4.44Å; F477-P479 VanDerWaalsContact O-CD 3.29Å; F477-P479 WeakPolarHBondContact O-CD 3.29Å
478	H	97.8	Very high	94.7	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	89.4	176.3	-170.7	92.2	0	0	0	109.2	F366 I367 M368 T445 H446 E480	F366-H478 CarbonylContact O-C 3.49Å; F366-H478 PolarHBondContact O-N 3.03Å; I367-H478 HydrophobicContact CD1-CB 3.68Å; M368-H478 PolarHBondContact N-O 2.93Å; T445-H478 PolarHBondContact OG1-ND1 3.2Å; H446-H478 AromaticContact CE1-CE1 3.83Å; H478-E480 PolarHBondContact CD2-O 3.24Å; H478-E480 VanDerWaalsContact CD2-O 3.27Å; H478-E480 PolarHBondContact O-N 3.49Å
479	P	96.8	Very high	94.5	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	21%	0.212	C	C	.	.			trans	-76.8	34.5	-174.3	30.9	-40.1	0	0	0	115.4	M368 P369 A370 T372 H446 M448 F477	M368-P479 VanDerWaalsContact O-CA 3.29Å; M368-P479 WeakPolarHBondContact O-CA 3.47Å; P369-P479 WeakPolarHBondContact CA-O 3.32Å; A370-P479 HydrophobicContact CB-CB 3.63Å; A370-P479 PolarHBondContact N-O 3.06Å; T372-P479 HydrophobicContact CG2-CB 3.79Å; T372-P479 HydrophobicContact CG2-CG 3.56Å; H446-P479 HydrophobicContact CB-CG 3.64Å; H446-P479 WeakPolarHBondContact ND1-CD 3.39Å; M448-P479 HydrophobicContact CE-CB 4.35Å; M448-P479 HydrophobicContact SD-CB 3.75Å; M448-P479 HydrophobicContact SD-CG 3.6Å; M448-P479 VanDerWaalsContact SD-CG 3.6Å; F477-P479 HydrophobicContact CE1-CB 4.09Å; F477-P479 HydrophobicContact CE1-CG 4.48Å; F477-P479 HydrophobicContact CE2-CB 3.86Å; F477-P479 HydrophobicContact CZ-CB 3.63Å; F477-P479 HydrophobicContact CZ-CG 4.44Å; F477-P479 VanDerWaalsContact O-CD 3.29Å; F477-P479 WeakPolarHBondContact O-CD 3.29Å
480	E	94.4	Very high	94.3	Very high	82 Å²	82	37.8 Å²	37.8	38%	0.383	22%	0.215	S	C	.	.	S	Bend	trans	-139.7	160.9	178.9	-163.6	177.6	-170.3	0	0	109.9	H446 H478	H446-E480 IonicContact CE1-OE2 2.63Å; H446-E480 IonicContact NE2-OE2 3.29Å; H446-E480 PolarHBondContact NE2-OE2 3.01Å; H446-E480 VanDerWaalsContact NE2-OE2 3.09Å; H478-E480 PolarHBondContact CD2-O 3.24Å; H478-E480 VanDerWaalsContact CD2-O 3.27Å; H478-E480 PolarHBondContact O-N 3.49Å
481	F	92	Very high	94.3	Very high	154 Å²	154	35.3 Å²	35.3	68%	0.675	19%	0.194	S	C	*	.			trans	-68.3	141.1	167.1	-71.4	-69.6	0	0	0	110.3	P369	P369-F481 HydrophobicContact CB-CD2 4.35Å; P369-F481 HydrophobicContact CB-CE2 4.12Å; P369-F481 HydrophobicContact CB-CZ 4.38Å; P369-F481 HydrophobicContact CG-CD1 3.77Å; P369-F481 HydrophobicContact CG-CD2 3.83Å; P369-F481 HydrophobicContact CG-CE1 3.59Å; P369-F481 HydrophobicContact CG-CE2 3.65Å; P369-F481 HydrophobicContact CG-CG 3.9Å; P369-F481 HydrophobicContact CG-CZ 3.54Å
482	L	93.5	Very high	94	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.105	21%	0.211	C	C	.	.			trans	-68.1	139.1	174.6	-64.4	173	0	0	0	110.5	I367 L489 Y493 F496	I367-L482 HydrophobicContact CD1-CD1 4.42Å; I367-L482 HydrophobicContact CD1-CD2 4.25Å; I367-L482 HydrophobicContact CD1-CG 4.5Å; I367-L482 HydrophobicContact CG1-CD1 4.35Å; I367-L482 HydrophobicContact CG2-CD1 4.29Å; I367-L482 HydrophobicContact CG2-CG 4.02Å; L482-L489 HydrophobicContact CD2-CD2 3.78Å; L482-L489 HydrophobicContact CD2-CG 4.44Å; L482-Y493 HydrophobicContact CD1-CD2 4.43Å; L482-F496 HydrophobicContact CD1-CB 3.46Å; L482-F496 VanDerWaalsContact CD1-CB 3.46Å; L482-F496 HydrophobicContact CD1-CD1 3.53Å; L482-F496 HydrophobicContact CD1-CD2 4.05Å; L482-F496 HydrophobicContact CD1-CE1 4.28Å; L482-F496 HydrophobicContact CD1-CG 3.39Å
483	S	91.6	Very high	93.8	Very high	39 Å²	39	37.5 Å²	37.5	27%	0.273	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-148	135.6	179.6	176.5	0	0	0	0	109.8	T485 S486 V491	S483-T485 PolarHBondContact O-N 3.28Å; S483-T485 VanDerWaalsContact O-N 3.09Å; S483-T485 PolarHBondContact OG-N 3.13Å; S483-T485 PolarHBondContact OG-OG1 3.42Å; S483-S486 WeakPolarHBondContact O-CB 3.44Å; S483-S486 PolarHBondContact O-N 3.47Å; S483-V491 CarbonylContact C-O 3.56Å; S483-V491 VanDerWaalsContact C-O 3.24Å; S483-V491 PolarHBondContact N-O 3.42Å
484	S	90	Very high	93.5	Very high	59 Å²	59	42.6 Å²	42.6	41%	0.413	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-20.7	170.2	47.3	0	0	0	0	114	P490 D492	S484-P490 WeakPolarHBondContact O-CB 3.5Å; S484-D492 WeakPolarHBondContact CB-OD1 3.33Å; S484-D492 PolarHBondContact N-OD1 3.4Å; S484-D492 PolarHBondContact OG-OD1 2.89Å; S484-D492 PolarHBondContact OG-OD2 3.49Å
485	T	91.4	Very high	93.2	Very high	122 Å²	122	44.2 Å²	44.2	75%	0.748	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.3	175.6	63	0	0	0	0	114.1	S483	S483-T485 PolarHBondContact O-N 3.28Å; S483-T485 VanDerWaalsContact O-N 3.09Å; S483-T485 PolarHBondContact OG-N 3.13Å; S483-T485 PolarHBondContact OG-OG1 3.42Å
486	S	90.6	Very high	93.2	Very high	12 Å²	12	44.2 Å²	44.2	8%	0.084	24%	0.239	C	C	.	.			trans	-64.5	131.6	-179.3	-178.1	0	0	0	0	111.3	S483 L488 P490	S483-S486 WeakPolarHBondContact O-CB 3.44Å; S483-S486 PolarHBondContact O-N 3.47Å; S486-L488 PolarHBondContact O-N 2.87Å; S486-L488 PolarHBondContact OG-N 3.26Å; S486-P490 WeakPolarHBondContact O-CB 3.43Å
487	P	88.6	Confident	93.1	Very high	78 Å²	78	44.1 Å²	44.1	51%	0.506	24%	0.239	S	C	.	.	S	Bend	trans	-71.9	-13.9	177.1	30.7	-36	0	0	0	113.1	F375 L380	F375-P487 HydrophobicContact CD2-CG 3.92Å; F375-P487 HydrophobicContact CE2-CG 3.37Å; F375-P487 HydrophobicContact CZ-CG 3.88Å; L380-P487 HydrophobicContact CD2-CB 4.44Å; L380-P487 HydrophobicContact CD2-CG 4.32Å
488	L	89.3	Confident	93	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	25%	0.247	C	C	.	.	S	Bend	trans	-91.5	-58.4	-179.7	-64.8	-169.4	0	0	0	111.8	F307 F375 T379 L380 Q383 S486	F307-L488 WeakPolarHBondContact CD2-O 3.26Å; F307-L488 HydrophobicContact CE2-CB 4.38Å; F375-L488 HydrophobicContact CB-CD1 4.15Å; F375-L488 HydrophobicContact CD1-CD1 3.27Å; F375-L488 HydrophobicContact CD1-CG 3.76Å; F375-L488 HydrophobicContact CE1-CD1 3.88Å; F375-L488 HydrophobicContact CE1-CG 4.09Å; F375-L488 HydrophobicContact CG-CD1 3.86Å; F375-L488 HydrophobicContact CG-CG 4.08Å; T379-L488 HydrophobicContact CG2-CD1 3.88Å; T379-L488 HydrophobicContact CG2-CD2 3.87Å; T379-L488 HydrophobicContact CG2-CG 4.4Å; L380-L488 HydrophobicContact CD2-CD2 3.53Å; L380-L488 HydrophobicContact CD2-CG 4.46Å; L380-L488 HydrophobicContact CG-CD2 3.91Å; Q383-L488 HydrophobicContact CG-CD2 4.26Å; S486-L488 PolarHBondContact O-N 2.87Å; S486-L488 PolarHBondContact OG-N 3.26Å
489	L	90.6	Very high	92.9	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	25%	0.247	C	C	.	.			trans	-132	83.9	-174	178.5	58.4	0	0	0	107.5	F307 L482 V491 F496	F307-L489 HydrophobicContact CB-CD1 3.69Å; F307-L489 HydrophobicContact CD1-CD1 4.5Å; F307-L489 HydrophobicContact CD2-CB 4.06Å; F307-L489 HydrophobicContact CE2-CB 4.48Å; F307-L489 HydrophobicContact CG-CB 4.35Å; F307-L489 HydrophobicContact CG-CD1 3.98Å; L482-L489 HydrophobicContact CD2-CD2 3.78Å; L482-L489 HydrophobicContact CD2-CG 4.44Å; L489-V491 HydrophobicContact CD1-CG1 4.18Å; L489-V491 HydrophobicContact CD1-CG2 3.95Å; L489-V491 HydrophobicContact CD2-CG2 4.27Å; L489-V491 HydrophobicContact CG-CG2 3.74Å; L489-V491 PolarHBondContact O-N 3.5Å; L489-F496 HydrophobicContact CD2-CD2 4.1Å; L489-F496 HydrophobicContact CD2-CE2 4.27Å
490	P	91.3	Very high	93	Very high	71 Å²	71	46.2 Å²	46.2	46%	0.461	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-78.3	66.6	-174	32.7	-36.2	0	0	0	110.8	S484 S486	S484-P490 WeakPolarHBondContact O-CB 3.5Å; S486-P490 WeakPolarHBondContact O-CB 3.43Å
491	V	92.9	Very high	93.2	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.229	C	C	.	.			trans	-135.9	144.3	176.3	-54.5	0	0	0	0	108.5	R303 S483 L489 E495 F496	R303-V491 HydrophobicContact CB-CG1 3.99Å; S483-V491 CarbonylContact C-O 3.56Å; S483-V491 VanDerWaalsContact C-O 3.24Å; S483-V491 PolarHBondContact N-O 3.42Å; L489-V491 HydrophobicContact CD1-CG1 4.18Å; L489-V491 HydrophobicContact CD1-CG2 3.95Å; L489-V491 HydrophobicContact CD2-CG2 4.27Å; L489-V491 HydrophobicContact CG-CG2 3.74Å; L489-V491 PolarHBondContact O-N 3.5Å; V491-E495 HydrophobicContact CB-CB 4.29Å; V491-E495 HydrophobicContact CB-CG 4.38Å; V491-F496 HydrophobicContact CG2-CB 3.82Å; V491-F496 HydrophobicContact CG2-CD2 4.47Å
492	D	93.1	Very high	93.5	Very high	76 Å²	76	35.2 Å²	35.2	41%	0.406	20%	0.197	S	C	.	.			trans	-78.6	162.1	169.2	-62.1	-42.7	0	0	0	110.1	S484 E494 E495 F496	S484-D492 WeakPolarHBondContact CB-OD1 3.33Å; S484-D492 PolarHBondContact N-OD1 3.4Å; S484-D492 PolarHBondContact OG-OD1 2.89Å; S484-D492 PolarHBondContact OG-OD2 3.49Å; D492-E494 VanDerWaalsContact C-N 3.34Å; D492-E494 PolarHBondContact O-N 3.39Å; D492-E495 WeakPolarHBondContact O-CB 3.49Å; D492-E495 PolarHBondContact O-N 2.91Å; D492-E495 VanDerWaalsContact O-N 3.08Å; D492-F496 PolarHBondContact O-N 3.42Å
493	Y	92.6	Very high	93.8	Very high	59 Å²	59	34.2 Å²	34.2	23%	0.231	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-45.2	-175.8	168.6	-98.8	0	0	0	113.1	A329 L482 E495 F496 V497 T515 E518	A329-Y493 HydrophobicContact CB-CE2 3.92Å; L482-Y493 HydrophobicContact CD1-CD2 4.43Å; Y493-E495 VanDerWaalsContact C-N 3.3Å; Y493-E495 PolarHBondContact O-N 3.15Å; Y493-F496 WeakPolarHBondContact O-CB 3.47Å; Y493-F496 PolarHBondContact O-N 3.21Å; Y493-V497 HydrophobicContact CD1-CG2 4.4Å; Y493-V497 HydrophobicContact CD2-CG2 4.21Å; Y493-V497 HydrophobicContact CE1-CG2 3.97Å; Y493-V497 HydrophobicContact CE2-CG2 3.75Å; Y493-V497 WeakPolarHBondContact O-CG2 3.43Å; Y493-V497 PolarHBondContact O-N 3.39Å; Y493-T515 VanDerWaalsContact OH-CG2 3.27Å; Y493-T515 WeakPolarHBondContact OH-CG2 3.32Å; Y493-E518 WeakPolarHBondContact CE1-OE2 3.06Å; Y493-E518 PolarHBondContact OH-OE2 3.08Å
494	E	91.8	Very high	94.1	Very high	106 Å²	106	32.4 Å²	32.4	50%	0.495	18%	0.179	S	C	.	.	H	α-helix	trans	-64	-36.5	179.1	-54	-171.9	-176.7	0	0	112.9	D492 R498 M522	D492-E494 VanDerWaalsContact C-N 3.34Å; D492-E494 PolarHBondContact O-N 3.39Å; E494-R498 VanDerWaalsContact CB-NH1 3.28Å; E494-R498 WeakPolarHBondContact O-CG 3.39Å; E494-R498 PolarHBondContact O-N 3.42Å; E494-R498 VanDerWaalsContact O-N 3.07Å; E494-R498 IonicContact OE2-CZ 2.85Å; E494-R498 IonicContact OE2-NH1 2.76Å; E494-R498 PolarHBondContact OE2-NH1 3.06Å; E494-R498 IonicContact OE2-NH2 3.09Å; E494-M522 HydrophobicContact CB-CE 3.66Å; E494-M522 HydrophobicContact CB-SD 4.14Å; E494-M522 HydrophobicContact CG-CE 3.69Å
495	E	94.1	Very high	94.5	Very high	38 Å²	38	29.8 Å²	29.8	18%	0.178	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-42.3	177.2	-171.8	177.8	-158.5	0	0	110.3	S300 R303 V491 D492 Y493 R498 G499	S300-E495 WeakPolarHBondContact CB-O 3.32Å; S300-E495 VanDerWaalsContact OG-CG 3.26Å; S300-E495 WeakPolarHBondContact OG-CG 3.44Å; S300-E495 PolarHBondContact OG-O 3.33Å; R303-E495 WeakPolarHBondContact CD-OE1 3.47Å; R303-E495 IonicContact CZ-OE1 3.66Å; R303-E495 IonicContact CZ-OE2 2.67Å; R303-E495 IonicContact NE-OE1 3.32Å; R303-E495 PolarHBondContact NE-OE1 3.29Å; R303-E495 IonicContact NH1-OE1 3.35Å; R303-E495 PolarHBondContact NH1-OE1 3.1Å; R303-E495 IonicContact NH1-OE2 3.8Å; R303-E495 PolarHBondContact NH1-OE2 3.46Å; R303-E495 IonicContact NH2-OE1 2.63Å; V491-E495 HydrophobicContact CB-CB 4.29Å; V491-E495 HydrophobicContact CB-CG 4.38Å; D492-E495 WeakPolarHBondContact O-CB 3.49Å; D492-E495 PolarHBondContact O-N 2.91Å; D492-E495 VanDerWaalsContact O-N 3.08Å; Y493-E495 VanDerWaalsContact C-N 3.3Å; Y493-E495 PolarHBondContact O-N 3.15Å; E495-R498 PolarHBondContact O-N 2.9Å; E495-G499 PolarHBondContact O-N 2.86Å
496	F	97.5	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60.2	-46.7	174.9	175.5	-99	0	0	0	112.7	I304 F327 F365 I367 L482 L489 V491 D492 Y493 R498 G499 C500	I304-F496 HydrophobicContact CD1-CD2 3.84Å; I304-F496 HydrophobicContact CD1-CE2 4.12Å; I304-F496 HydrophobicContact CG1-CD2 4.14Å; F327-F496 HydrophobicContact CB-CE1 3.76Å; F327-F496 HydrophobicContact CB-CZ 4Å; F327-F496 HydrophobicContact CD1-CE1 4.46Å; F327-F496 AromaticContact CD2-CE1 3.87Å; F327-F496 HydrophobicContact CD2-CE1 3.87Å; F327-F496 AromaticContact CG-CE1 3.77Å; F327-F496 HydrophobicContact CG-CE1 3.77Å; F327-F496 HydrophobicContact CG-CZ 4.46Å; F365-F496 HydrophobicContact CB-CZ 3.7Å; F365-F496 HydrophobicContact CD1-CE2 4.03Å; F365-F496 HydrophobicContact CD1-CZ 4.05Å; F365-F496 HydrophobicContact CD2-CE2 4.2Å; F365-F496 AromaticContact CD2-CZ 3.95Å; F365-F496 HydrophobicContact CD2-CZ 3.95Å; F365-F496 HydrophobicContact CE1-CE2 4.22Å; F365-F496 HydrophobicContact CE2-CE2 4.4Å; F365-F496 HydrophobicContact CG-CE2 4.01Å; F365-F496 AromaticContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CZ-CE2 4.42Å; I367-F496 HydrophobicContact CD1-CE1 4.34Å; I367-F496 HydrophobicContact CD1-CZ 4.18Å; I367-F496 HydrophobicContact CG1-CE1 3.92Å; I367-F496 HydrophobicContact CG1-CZ 4.23Å; L482-F496 HydrophobicContact CD1-CB 3.46Å; L482-F496 VanDerWaalsContact CD1-CB 3.46Å; L482-F496 HydrophobicContact CD1-CD1 3.53Å; L482-F496 HydrophobicContact CD1-CD2 4.05Å; L482-F496 HydrophobicContact CD1-CE1 4.28Å; L482-F496 HydrophobicContact CD1-CG 3.39Å; L489-F496 HydrophobicContact CD2-CD2 4.1Å; L489-F496 HydrophobicContact CD2-CE2 4.27Å; V491-F496 HydrophobicContact CG2-CB 3.82Å; V491-F496 HydrophobicContact CG2-CD2 4.47Å; D492-F496 PolarHBondContact O-N 3.42Å; Y493-F496 WeakPolarHBondContact O-CB 3.47Å; Y493-F496 PolarHBondContact O-N 3.21Å; F496-R498 PolarHBondContact O-N 3.36Å; F496-G499 PolarHBondContact O-N 2.99Å; F496-C500 PolarHBondContact O-N 3.36Å; F496-C500 VanDerWaalsContact O-N 3.15Å; F496-C500 PolarHBondContact O-SG 3.17Å
497	V	96.6	Very high	95.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-57.9	-49.9	177.4	172.7	0	0	0	0	110.1	F327 Y493 G499 C500 M522 I524	F327-V497 HydrophobicContact CE1-CG1 4.41Å; F327-V497 HydrophobicContact CE2-CG2 3.92Å; F327-V497 HydrophobicContact CZ-CB 4.21Å; F327-V497 HydrophobicContact CZ-CG1 3.94Å; F327-V497 HydrophobicContact CZ-CG2 3.69Å; Y493-V497 HydrophobicContact CD1-CG2 4.4Å; Y493-V497 HydrophobicContact CD2-CG2 4.21Å; Y493-V497 HydrophobicContact CE1-CG2 3.97Å; Y493-V497 HydrophobicContact CE2-CG2 3.75Å; Y493-V497 WeakPolarHBondContact O-CG2 3.43Å; Y493-V497 PolarHBondContact O-N 3.39Å; V497-G499 VanDerWaalsContact C-N 3.25Å; V497-G499 PolarHBondContact O-N 3.33Å; V497-C500 WeakPolarHBondContact O-CB 3.31Å; V497-C500 PolarHBondContact O-N 3.27Å; V497-M522 HydrophobicContact CB-SD 3.8Å; V497-M522 HydrophobicContact CG1-CB 4.49Å; V497-M522 HydrophobicContact CG1-SD 3.66Å; V497-I524 HydrophobicContact CG1-CG1 4.23Å
498	R	95.5	Very high	95.5	Very high	47 Å²	47	21.4 Å²	21.4	18%	0.177	10%	0.104	C	C	.	.	H	α-helix	trans	-56.3	-37.6	177.1	-74.3	178.6	179.5	103.1	1.4	112.8	H297 E494 E495 F496 C500 M522	H297-R498 WeakPolarHBondContact CA-O 3.43Å; H297-R498 PolarHBondContact ND1-O 3.41Å; E494-R498 VanDerWaalsContact CB-NH1 3.28Å; E494-R498 WeakPolarHBondContact O-CG 3.39Å; E494-R498 PolarHBondContact O-N 3.42Å; E494-R498 VanDerWaalsContact O-N 3.07Å; E494-R498 IonicContact OE2-CZ 2.85Å; E494-R498 IonicContact OE2-NH1 2.76Å; E494-R498 PolarHBondContact OE2-NH1 3.06Å; E494-R498 IonicContact OE2-NH2 3.09Å; E495-R498 PolarHBondContact O-N 2.9Å; F496-R498 PolarHBondContact O-N 3.36Å; R498-C500 VanDerWaalsContact C-N 3.31Å; R498-C500 PolarHBondContact O-N 2.89Å; R498-M522 HydrophobicContact CG-CB 4.05Å; R498-M522 HydrophobicContact CG-CG 4.2Å; R498-M522 HydrophobicContact CG-SD 3.93Å
499	G	96.8	Very high	95.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-75.1	-16.8	178.7	0	0	0	0	0	114.8	E495 F496 V497	E495-G499 PolarHBondContact O-N 2.86Å; F496-G499 PolarHBondContact O-N 2.99Å; V497-G499 VanDerWaalsContact C-N 3.25Å; V497-G499 PolarHBondContact O-N 3.33Å
500	C	98.5	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.			trans	-78.1	169.4	177.6	-71.1	0	0	0	0	112.3	H297 F327 F496 V497 R498	H297-C500 PolarHBondContact CE1-O 3.12Å; H297-C500 VanDerWaalsContact CE1-O 3.26Å; H297-C500 PolarHBondContact ND1-O 2.83Å; F327-C500 HydrophobicContact CD1-CB 3.55Å; F327-C500 HydrophobicContact CE1-CB 3.81Å; F496-C500 PolarHBondContact O-N 3.36Å; F496-C500 VanDerWaalsContact O-N 3.15Å; F496-C500 PolarHBondContact O-SG 3.17Å; V497-C500 WeakPolarHBondContact O-CB 3.31Å; V497-C500 PolarHBondContact O-N 3.27Å; R498-C500 VanDerWaalsContact C-N 3.31Å; R498-C500 PolarHBondContact O-N 2.89Å
501	H	98.6	Very high	96.1	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.019	9%	0.09	C	C	.	.	S	Bend	trans	-106.9	-30.8	179.2	-60.5	77.5	0	0	0	112.7	K301 L324 Y325 F574	K301-H501 PolarHBondContact NZ-CE1 2.95Å; K301-H501 PolarHBondContact NZ-NE2 3.06Å; L324-H501 HydrophobicContact CD2-CB 4.36Å; Y325-H501 AromaticContact CD2-CE1 3.63Å; Y325-H501 AromaticContact CD2-ND1 3.74Å; Y325-H501 AromaticContact CG-ND1 3.98Å; Y325-H501 PolarHBondContact N-ND1 3.34Å; Y325-H501 PolarHBondContact O-N 3.35Å; H501-F574 HydrophobicContact CB-CE1 4.05Å; H501-F574 HydrophobicContact CB-CZ 4.25Å; H501-F574 WeakPolarHBondContact O-CZ 3.41Å
502	L	98.8	Very high	96.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	126.4	-177.6	-175.6	68.6	0	0	0	110.2	Y325 F326 F327 V504 P525 I527 Y551 L571 F574	Y325-L502 PolarHBondContact O-N 3.02Å; F326-L502 WeakPolarHBondContact CA-O 3.35Å; F326-L502 HydrophobicContact CD1-CB 3.57Å; F326-L502 HydrophobicContact CD1-CD2 4.15Å; F326-L502 HydrophobicContact CD1-CG 4.44Å; F326-L502 HydrophobicContact CE1-CB 3.77Å; F326-L502 HydrophobicContact CE1-CD2 3.93Å; F326-L502 HydrophobicContact CE2-CD2 4.38Å; F326-L502 HydrophobicContact CG-CB 4.36Å; F326-L502 HydrophobicContact CG-CD2 4.48Å; F326-L502 HydrophobicContact CZ-CD2 4.06Å; F327-L502 WeakPolarHBondContact CD1-O 3.47Å; F327-L502 PolarHBondContact N-O 2.93Å; F327-L502 VanDerWaalsContact N-O 3.15Å; L502-V504 HydrophobicContact CD2-CG2 3.95Å; L502-V504 HydrophobicContact CG-CG2 3.96Å; L502-P525 WeakPolarHBondContact CA-O 3.48Å; L502-P525 HydrophobicContact CD1-CB 3.84Å; L502-I527 HydrophobicContact CD1-CG1 4.16Å; L502-I527 HydrophobicContact CD2-CD1 4.07Å; L502-I527 HydrophobicContact CD2-CG1 4.26Å; L502-I527 HydrophobicContact CG-CG1 4.38Å; L502-Y551 HydrophobicContact CD1-CD2 4.39Å; L502-Y551 HydrophobicContact CD1-CE2 4.31Å; L502-L571 HydrophobicContact CD2-CD2 3.77Å; L502-F574 HydrophobicContact CB-CE1 4.17Å; L502-F574 HydrophobicContact CB-CZ 4.17Å; L502-F574 HydrophobicContact CD1-CD2 4.27Å; L502-F574 HydrophobicContact CD1-CE2 4.19Å; L502-F574 HydrophobicContact CD2-CB 4.47Å; L502-F574 HydrophobicContact CD2-CD1 4.27Å; L502-F574 HydrophobicContact CD2-CD2 4.44Å; L502-F574 HydrophobicContact CD2-CG 4.14Å
503	G	98.7	Very high	96.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.4	165.4	0	0	0	0	0	110.6	P525 S526 I527	G503-P525 PolarHBondContact N-O 3.03Å; G503-S526 CarbonylContact O-C 3.59Å; G503-S526 VanDerWaalsContact O-CA 3.23Å; G503-S526 WeakPolarHBondContact O-CA 3.41Å; G503-I527 PolarHBondContact O-N 3.39Å
504	V	98.8	Very high	96.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	102.9	-176.4	-174	0	0	0	0	109.4	F326 F327 I328 F342 L502 P506 I527 L567 L571	F326-V504 HydrophobicContact CB-CG2 4.4Å; F327-V504 PolarHBondContact O-N 3.19Å; I328-V504 WeakPolarHBondContact CB-O 3.46Å; I328-V504 VanDerWaalsContact CG1-O 3.3Å; I328-V504 WeakPolarHBondContact CG1-O 3.31Å; F342-V504 HydrophobicContact CD2-CB 4.11Å; F342-V504 HydrophobicContact CD2-CG1 3.47Å; F342-V504 VanDerWaalsContact CD2-CG1 3.47Å; F342-V504 HydrophobicContact CE1-CB 4.33Å; F342-V504 HydrophobicContact CE2-CB 3.74Å; F342-V504 HydrophobicContact CE2-CG1 3.53Å; F342-V504 HydrophobicContact CE2-CG2 3.91Å; F342-V504 HydrophobicContact CG-CG1 4.05Å; F342-V504 HydrophobicContact CZ-CB 3.86Å; F342-V504 HydrophobicContact CZ-CG1 4.15Å; F342-V504 HydrophobicContact CZ-CG2 4.05Å; L502-V504 HydrophobicContact CD2-CG2 3.95Å; L502-V504 HydrophobicContact CG-CG2 3.96Å; V504-P506 VanDerWaalsContact C-CD 3.46Å; V504-P506 WeakPolarHBondContact O-CD 3.29Å; V504-I527 HydrophobicContact CG1-CB 4.4Å; V504-I527 HydrophobicContact CG1-CD1 4.36Å; V504-I527 HydrophobicContact CG2-CD1 4.33Å; V504-I527 HydrophobicContact CG2-CG1 4.44Å; V504-L567 HydrophobicContact CG1-CD1 4.01Å; V504-L567 HydrophobicContact CG1-CD2 4.49Å; V504-L571 HydrophobicContact CG2-CD2 3.87Å
505	F	98.5	Very high	96.3	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.022	5%	0.052	C	C	.	.			trans	-124.3	70.3	-173.6	-42.4	-71.1	0	0	0	110.4	F327 I328 S507 T515 P516 I527	F327-F505 HydrophobicContact CD2-CE1 4.46Å; F327-F505 HydrophobicContact CD2-CZ 4.49Å; F327-F505 HydrophobicContact CE2-CE1 4.05Å; F327-F505 AromaticContact CE2-CZ 3.78Å; F327-F505 HydrophobicContact CE2-CZ 3.78Å; F327-F505 AromaticContact CZ-CZ 3.83Å; F327-F505 HydrophobicContact CZ-CZ 3.83Å; I328-F505 HydrophobicContact CG1-CD1 4.26Å; F505-S507 PolarHBondContact O-N 2.91Å; F505-T515 HydrophobicContact CD1-CG2 3.82Å; F505-T515 HydrophobicContact CE1-CG2 3.18Å; F505-T515 HydrophobicContact CE2-CG2 4.28Å; F505-T515 HydrophobicContact CZ-CG2 3.43Å; F505-T515 VanDerWaalsContact CZ-CG2 3.43Å; F505-P516 HydrophobicContact CD2-CB 3.68Å; F505-P516 HydrophobicContact CD2-CG 4.13Å; F505-P516 HydrophobicContact CE2-CB 4.01Å; F505-I527 CarbonylContact C-O 3.53Å; F505-I527 WeakPolarHBondContact CA-O 3.47Å; F505-I527 PolarHBondContact N-O 3.04Å
506	P	98.1	Very high	96.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	4%	0.043	C	C	.	.			trans	-78.7	49.8	-176.6	35.7	-36.3	0	0	0	111.1	G338 V341 F342 V504 T529 L553 R555 L567	G338-P506 WeakPolarHBondContact CA-O 3.42Å; G338-P506 VanDerWaalsContact O-CG 3.28Å; G338-P506 WeakPolarHBondContact O-CG 3.42Å; V341-P506 HydrophobicContact CB-CG 4.43Å; V341-P506 HydrophobicContact CG1-CB 4.25Å; F342-P506 HydrophobicContact CB-CG 4.06Å; V504-P506 VanDerWaalsContact C-CD 3.46Å; V504-P506 WeakPolarHBondContact O-CD 3.29Å; P506-T529 VanDerWaalsContact CA-CG2 3.43Å; P506-T529 HydrophobicContact CB-CG2 4.4Å; P506-L553 HydrophobicContact CB-CD2 3.76Å; P506-R555 WeakPolarHBondContact O-CD 3.42Å; P506-R555 PolarHBondContact O-NH1 3.27Å; P506-L567 HydrophobicContact CB-CD2 4.03Å; P506-L567 HydrophobicContact CG-CD2 4.13Å
507	S	97.1	Very high	96.3	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.007	4%	0.044	C	C	.	.			trans	-58.6	138.8	-173.4	-58.3	0	0	0	0	113.3	N336 F505 E510 T529	N336-S507 CarbonylContact O-C 3.55Å; N336-S507 VanDerWaalsContact O-CA 3.31Å; N336-S507 WeakPolarHBondContact O-CA 3.49Å; F505-S507 PolarHBondContact O-N 2.91Å; S507-E510 WeakPolarHBondContact CB-OE2 3.44Å; S507-E510 VanDerWaalsContact OG-CD 3.26Å; S507-E510 PolarHBondContact OG-OE2 3.15Å; S507-T529 WeakPolarHBondContact O-CB 3.36Å; S507-T529 WeakPolarHBondContact O-CG2 3.32Å; S507-T529 PolarHBondContact O-OG1 2.74Å
508	Y	95.8	Very high	96	Very high	35 Å²	35	12 Å²	12	14%	0.137	6%	0.055	C	C	.	.	S	Bend	trans	-87.2	-46.7	167.2	-173.4	-113.9	0	0	0	110.9	C214 F220 Y221 N336 L531	C214-Y508 HydrophobicContact CB-CD1 4.3Å; C214-Y508 HydrophobicContact CB-CE1 4.39Å; F220-Y508 HydrophobicContact CB-CE1 4.11Å; F220-Y508 PolarHBondContact N-OH 2.86Å; Y221-Y508 HydrophobicContact CD2-CE2 4.16Å; Y221-Y508 WeakPolarHBondContact CE2-O 2.9Å; Y221-Y508 PolarHBondContact OH-O 2.95Å; N336-Y508 PolarHBondContact O-N 2.83Å; Y508-L531 HydrophobicContact CD2-CD1 3.71Å; Y508-L531 HydrophobicContact CE2-CD1 3.9Å; Y508-L531 WeakPolarHBondContact O-CB 3.32Å
509	Y	95.1	Very high	96	Very high	6 Å²	6	9.7 Å²	9.7	2%	0.024	5%	0.046	C	C	.	.	S	Bend	trans	-122.9	103.7	178.7	-174.4	-101.4	0	0	0	110.2	T207 R211 C214 F220 E265 N336 P511	T207-Y509 PolarHBondContact O-OH 3.2Å; R211-Y509 HydrophobicContact CB-CE1 3.82Å; R211-Y509 HydrophobicContact CG-CE1 4.18Å; R211-Y509 PolarHBondContact N-OH 3.27Å; C214-Y509 HydrophobicContact CB-CD2 4.2Å; C214-Y509 HydrophobicContact CB-CG 3.97Å; C214-Y509 WeakPolarHBondContact SG-CD2 3.35Å; F220-Y509 HydrophobicContact CE1-CD2 4.28Å; F220-Y509 HydrophobicContact CE1-CE2 4.21Å; E265-Y509 PolarHBondContact OE1-OH 3.2Å; N336-Y509 PolarHBondContact O-N 3.17Å; Y509-P511 HydrophobicContact CE1-CG 4Å
510	E	94.9	Very high	95.9	Very high	6 Å²	6	9.7 Å²	9.7	3%	0.028	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-146.9	95.7	179.8	-176.5	158.3	-122.4	0	0	110.5	K337 S507 W512 G513 S532 G533	K337-E510 IonicContact NZ-OE1 2.78Å; K337-E510 PolarHBondContact NZ-OE1 3.01Å; S507-E510 WeakPolarHBondContact CB-OE2 3.44Å; S507-E510 VanDerWaalsContact OG-CD 3.26Å; S507-E510 PolarHBondContact OG-OE2 3.15Å; E510-W512 PolarHBondContact O-N 2.56Å; E510-W512 VanDerWaalsContact O-N 3.13Å; E510-G513 VanDerWaalsContact CD-CA 3.5Å; E510-S532 WeakPolarHBondContact O-CA 3.22Å; E510-S532 PolarHBondContact OE2-OG 2.59Å; E510-G533 PolarHBondContact O-N 2.97Å
511	P	94.7	Very high	95.6	Very high	23 Å²	23	11.3 Å²	11.3	15%	0.149	6%	0.056	C	C	.	.	S	Bend	trans	-58.3	-32	-174.4	-27.2	33.8	0	0	0	114.4	H205 A206 V258 S259 T262 Y509	H205-P511 WeakPolarHBondContact O-CB 3.49Å; A206-P511 HydrophobicContact CB-CB 4.24Å; A206-P511 HydrophobicContact CB-CG 3.56Å; V258-P511 HydrophobicContact CG2-CB 4.34Å; S259-P511 WeakPolarHBondContact CB-O 3.28Å; S259-P511 PolarHBondContact OG-O 3.12Å; T262-P511 WeakPolarHBondContact OG1-CA 3.25Å; Y509-P511 HydrophobicContact CE1-CG 4Å
512	W	95.2	Very high	95.2	Very high	8 Å²	8	11.9 Å²	11.9	3%	0.03	6%	0.059	C	C	.	.	S	Bend	trans	-126.4	-86.2	171.2	-179.5	-117.4	0	0	0	111.7	V258 P279 N280 E510 Y514 S532 G533 F534 F537	V258-W512 HydrophobicContact CG2-CB 4.3Å; P279-W512 HydrophobicContact CB-CH2 3.57Å; P279-W512 HydrophobicContact CB-CZ2 4.38Å; P279-W512 HydrophobicContact CB-CZ3 3.67Å; N280-W512 HydrophobicContact CB-CD2 4.08Å; N280-W512 HydrophobicContact CB-CG 3.95Å; N280-W512 WeakPolarHBondContact ND2-CB 3.25Å; N280-W512 VanDerWaalsContact O-CE2 3.22Å; N280-W512 WeakPolarHBondContact O-CZ2 3.48Å; N280-W512 PolarHBondContact O-NE1 3.27Å; E510-W512 PolarHBondContact O-N 2.56Å; E510-W512 VanDerWaalsContact O-N 3.13Å; W512-Y514 AromaticContact CD1-CD1 3.89Å; W512-Y514 AromaticContact CD1-CE1 3.78Å; W512-Y514 AromaticContact CD1-CE2 3.96Å; W512-Y514 AromaticContact CD1-CZ 3.79Å; W512-S532 PolarHBondContact O-OG 3.26Å; W512-S532 VanDerWaalsContact O-OG 3.09Å; W512-G533 CarbonylContact O-C 3.6Å; W512-G533 WeakPolarHBondContact O-CA 3.47Å; W512-G533 PolarHBondContact O-N 3.23Å; W512-F534 WeakPolarHBondContact O-CB 3.26Å; W512-F534 PolarHBondContact O-N 3.02Å; W512-F537 HydrophobicContact CH2-CB 3.97Å; W512-F537 HydrophobicContact CH2-CD1 4.21Å; W512-F537 HydrophobicContact CH2-CD2 4.44Å; W512-F537 AromaticContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CZ3-CB 4.03Å; W512-F537 HydrophobicContact CZ3-CG 4.4Å
513	G	93.9	Very high	94.9	Very high	3 Å²	3	11.8 Å²	11.8	3%	0.031	6%	0.058	C	C	.	.			trans	117	69.7	-174.7	0	0	0	0	0	112.1	E510 T515 P516 A517	E510-G513 VanDerWaalsContact CD-CA 3.5Å; G513-T515 VanDerWaalsContact C-N 3.35Å; G513-P516 VanDerWaalsContact O-CD 3.32Å; G513-P516 WeakPolarHBondContact O-CD 3.36Å; G513-P516 VanDerWaalsContact O-CG 3.31Å; G513-P516 WeakPolarHBondContact O-CG 3.31Å; G513-A517 PolarHBondContact O-N 3.18Å
514	Y	92	Very high	94.9	Very high	44 Å²	44	11.9 Å²	11.9	17%	0.173	6%	0.059	C	C	.	.	H	α-helix	trans	-64.9	-39.4	176.1	-66.2	-81	0	0	0	112.4	V46 N280 L282 W512 A517 E518	V46-Y514 HydrophobicContact CG2-CE1 4.25Å; V46-Y514 WeakPolarHBondContact CG2-OH 3.26Å; N280-Y514 HydrophobicContact CB-CE1 3.8Å; N280-Y514 PolarHBondContact ND2-OH 3.42Å; L282-Y514 HydrophobicContact CD2-CD1 4.34Å; W512-Y514 AromaticContact CD1-CD1 3.89Å; W512-Y514 AromaticContact CD1-CE1 3.78Å; W512-Y514 AromaticContact CD1-CE2 3.96Å; W512-Y514 AromaticContact CD1-CZ 3.79Å; Y514-A517 CarbonylContact O-C 3.56Å; Y514-A517 WeakPolarHBondContact O-CA 3.48Å; Y514-A517 WeakPolarHBondContact O-CB 3.36Å; Y514-A517 PolarHBondContact O-N 2.96Å; Y514-E518 WeakPolarHBondContact O-CB 3.48Å; Y514-E518 VanDerWaalsContact O-CG 3.29Å; Y514-E518 WeakPolarHBondContact O-CG 3.48Å; Y514-E518 PolarHBondContact O-N 3Å
515	T	93.5	Very high	94.8	Very high	18 Å²	18	11.9 Å²	11.9	11%	0.11	6%	0.059	C	C	.	.	H	α-helix	trans	-57.9	-49	-175.9	-45.2	0	0	0	0	112.5	A329 Y493 F505 G513 C519	A329-T515 HydrophobicContact CB-CG2 4.14Å; Y493-T515 VanDerWaalsContact OH-CG2 3.27Å; Y493-T515 WeakPolarHBondContact OH-CG2 3.32Å; F505-T515 HydrophobicContact CD1-CG2 3.82Å; F505-T515 HydrophobicContact CE1-CG2 3.18Å; F505-T515 HydrophobicContact CE2-CG2 4.28Å; F505-T515 HydrophobicContact CZ-CG2 3.43Å; F505-T515 VanDerWaalsContact CZ-CG2 3.43Å; G513-T515 VanDerWaalsContact C-N 3.35Å; T515-C519 PolarHBondContact O-N 3.41Å; T515-C519 VanDerWaalsContact O-N 3.08Å; T515-C519 PolarHBondContact O-SG 3.26Å
516	P	96.5	Very high	94.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-68.8	-30.6	171.9	24.1	-32.8	0	0	0	114.3	F505 G513 C519 T520 F534	F505-P516 HydrophobicContact CD2-CB 3.68Å; F505-P516 HydrophobicContact CD2-CG 4.13Å; F505-P516 HydrophobicContact CE2-CB 4.01Å; G513-P516 VanDerWaalsContact O-CD 3.32Å; G513-P516 WeakPolarHBondContact O-CD 3.36Å; G513-P516 VanDerWaalsContact O-CG 3.31Å; G513-P516 WeakPolarHBondContact O-CG 3.31Å; P516-C519 WeakPolarHBondContact O-CB 3.26Å; P516-C519 PolarHBondContact O-N 3.15Å; P516-T520 PolarHBondContact O-N 3.49Å; P516-T520 PolarHBondContact O-OG1 2.86Å; P516-F534 HydrophobicContact CB-CD1 3.63Å; P516-F534 HydrophobicContact CB-CE1 3.61Å; P516-F534 HydrophobicContact CB-CG 4.19Å; P516-F534 HydrophobicContact CB-CZ 4.13Å; P516-F534 HydrophobicContact CG-CB 4.2Å; P516-F534 HydrophobicContact CG-CD1 3.66Å; P516-F534 HydrophobicContact CG-CE1 4.19Å; P516-F534 HydrophobicContact CG-CG 3.89Å
517	A	94	Very high	94.9	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-64.7	-46.2	174.3	0	0	0	0	0	111.7	L282 G513 Y514 C519 T520 V521 F534 L596	L282-A517 HydrophobicContact CD1-CB 3.98Å; G513-A517 PolarHBondContact O-N 3.18Å; Y514-A517 CarbonylContact O-C 3.56Å; Y514-A517 WeakPolarHBondContact O-CA 3.48Å; Y514-A517 WeakPolarHBondContact O-CB 3.36Å; Y514-A517 PolarHBondContact O-N 2.96Å; A517-C519 VanDerWaalsContact C-N 3.33Å; A517-C519 PolarHBondContact O-N 3.36Å; A517-T520 WeakPolarHBondContact O-CB 3.36Å; A517-T520 PolarHBondContact O-N 2.96Å; A517-T520 VanDerWaalsContact O-N 3.12Å; A517-V521 WeakPolarHBondContact O-CG2 3.45Å; A517-V521 PolarHBondContact O-N 3.06Å; A517-F534 HydrophobicContact CB-CD2 3.88Å; A517-F534 HydrophobicContact CB-CE2 4.03Å; A517-L596 HydrophobicContact CB-CD1 4.18Å
518	E	92	Very high	94.9	Very high	49 Å²	49	11.6 Å²	11.6	23%	0.229	6%	0.058	C	C	.	.	H	α-helix	trans	-59.7	-41.3	173.6	-71.1	168.3	165.3	0	0	111.5	L282 Y493 Y514 T520 V521 M522	L282-E518 HydrophobicContact CD1-CG 4.03Å; Y493-E518 WeakPolarHBondContact CE1-OE2 3.06Å; Y493-E518 PolarHBondContact OH-OE2 3.08Å; Y514-E518 WeakPolarHBondContact O-CB 3.48Å; Y514-E518 VanDerWaalsContact O-CG 3.29Å; Y514-E518 WeakPolarHBondContact O-CG 3.48Å; Y514-E518 PolarHBondContact O-N 3Å; E518-T520 VanDerWaalsContact C-N 3.3Å; E518-T520 PolarHBondContact O-N 2.9Å; E518-V521 PolarHBondContact O-N 3.34Å; E518-M522 HydrophobicContact CB-CE 4.35Å; E518-M522 WeakPolarHBondContact O-CB 3.4Å; E518-M522 VanDerWaalsContact O-CG 3.29Å; E518-M522 WeakPolarHBondContact O-CG 3.42Å; E518-M522 PolarHBondContact O-N 3.22Å
519	C	95.1	Very high	95	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-57.1	-46.7	173.4	-67.9	0	0	0	0	111.1	F327 T515 P516 A517 M522 G523 I524	F327-C519 VanDerWaalsContact CZ-SG 3.53Å; T515-C519 PolarHBondContact O-N 3.41Å; T515-C519 VanDerWaalsContact O-N 3.08Å; T515-C519 PolarHBondContact O-SG 3.26Å; P516-C519 WeakPolarHBondContact O-CB 3.26Å; P516-C519 PolarHBondContact O-N 3.15Å; A517-C519 VanDerWaalsContact C-N 3.33Å; A517-C519 PolarHBondContact O-N 3.36Å; C519-M522 CarbonylContact O-C 3.03Å; C519-M522 PolarHBondContact O-N 3.35Å; C519-M522 VanDerWaalsContact O-N 3.13Å; C519-G523 PolarHBondContact O-N 2.95Å; C519-G523 VanDerWaalsContact O-N 3.16Å; C519-I524 CarbonylContact C-O 3.55Å; C519-I524 HydrophobicContact CB-CB 4.26Å; C519-I524 WeakPolarHBondContact CB-O 3.17Å; C519-I524 PolarHBondContact O-N 3.23Å
520	T	94.4	Very high	95.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-62.8	-45.5	-179.3	-54.7	0	0	0	0	111.3	P516 A517 E518 M522 G523 F534 M538 I550 T589 L592 L596	P516-T520 PolarHBondContact O-N 3.49Å; P516-T520 PolarHBondContact O-OG1 2.86Å; A517-T520 WeakPolarHBondContact O-CB 3.36Å; A517-T520 PolarHBondContact O-N 2.96Å; A517-T520 VanDerWaalsContact O-N 3.12Å; E518-T520 VanDerWaalsContact C-N 3.3Å; E518-T520 PolarHBondContact O-N 2.9Å; T520-M522 PolarHBondContact O-N 2.84Å; T520-G523 PolarHBondContact O-N 3.5Å; T520-F534 WeakPolarHBondContact OG1-CZ 3.41Å; T520-M538 HydrophobicContact CG2-CE 4.22Å; T520-I550 HydrophobicContact CG2-CD1 4.26Å; T520-I550 WeakPolarHBondContact OG1-CD1 3.12Å; T520-T589 HydrophobicContact CG2-CG2 4.1Å; T520-L592 HydrophobicContact CG2-CB 3.8Å; T520-L596 HydrophobicContact CG2-CD1 3.81Å
521	V	91.2	Very high	95.2	Very high	33 Å²	33	10 Å²	10	20%	0.2	5%	0.052	C	C	.	.	H	α-helix	trans	-60.5	-30.5	175.2	172.4	0	0	0	0	112.3	L282 V284 A517 E518 G523 L596	L282-V521 HydrophobicContact CD1-CG2 4Å; V284-V521 HydrophobicContact CG1-CG1 4.24Å; V284-V521 HydrophobicContact CG2-CG1 4.15Å; V284-V521 HydrophobicContact CG2-CG2 3.92Å; A517-V521 WeakPolarHBondContact O-CG2 3.45Å; A517-V521 PolarHBondContact O-N 3.06Å; E518-V521 PolarHBondContact O-N 3.34Å; V521-G523 VanDerWaalsContact C-N 3.33Å; V521-L596 HydrophobicContact CG2-CD1 4.44Å
522	M	91.3	Very high	95.3	Very high	16 Å²	16	8.9 Å²	8.9	8%	0.079	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.8	176.1	-64.3	-179.6	-155.8	0	0	113.8	E494 V497 R498 E518 C519 T520 I524	E494-M522 HydrophobicContact CB-CE 3.66Å; E494-M522 HydrophobicContact CB-SD 4.14Å; E494-M522 HydrophobicContact CG-CE 3.69Å; V497-M522 HydrophobicContact CB-SD 3.8Å; V497-M522 HydrophobicContact CG1-CB 4.49Å; V497-M522 HydrophobicContact CG1-SD 3.66Å; R498-M522 HydrophobicContact CG-CB 4.05Å; R498-M522 HydrophobicContact CG-CG 4.2Å; R498-M522 HydrophobicContact CG-SD 3.93Å; E518-M522 HydrophobicContact CB-CE 4.35Å; E518-M522 WeakPolarHBondContact O-CB 3.4Å; E518-M522 VanDerWaalsContact O-CG 3.29Å; E518-M522 WeakPolarHBondContact O-CG 3.42Å; E518-M522 PolarHBondContact O-N 3.22Å; C519-M522 CarbonylContact O-C 3.03Å; C519-M522 PolarHBondContact O-N 3.35Å; C519-M522 VanDerWaalsContact O-N 3.13Å; T520-M522 PolarHBondContact O-N 2.84Å; M522-I524 VanDerWaalsContact C-N 3.3Å; M522-I524 HydrophobicContact CB-CG1 4.22Å; M522-I524 PolarHBondContact O-N 3.15Å
523	G	93.2	Very high	95.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	23.6	-178.9	0	0	0	0	0	114.1	C519 T520 V521 R586	C519-G523 PolarHBondContact O-N 2.95Å; C519-G523 VanDerWaalsContact O-N 3.16Å; T520-G523 PolarHBondContact O-N 3.5Å; V521-G523 VanDerWaalsContact C-N 3.33Å; G523-R586 WeakPolarHBondContact O-CA 3.34Å; G523-R586 VanDerWaalsContact O-CB 3.22Å; G523-R586 WeakPolarHBondContact O-CB 3.42Å; G523-R586 WeakPolarHBondContact O-CG 2.93Å
524	I	97	Very high	95.5	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.005	4%	0.042	C	C	.	.			trans	-103.4	118	-179.8	-54.5	-57.4	0	0	0	109.3	V497 C519 M522	V497-I524 HydrophobicContact CG1-CG1 4.23Å; C519-I524 CarbonylContact C-O 3.55Å; C519-I524 HydrophobicContact CB-CB 4.26Å; C519-I524 WeakPolarHBondContact CB-O 3.17Å; C519-I524 PolarHBondContact O-N 3.23Å; M522-I524 VanDerWaalsContact C-N 3.3Å; M522-I524 HydrophobicContact CB-CG1 4.22Å; M522-I524 PolarHBondContact O-N 3.15Å
525	P	98.3	Very high	95.7	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	3%	0.034	C	C	.	.			trans	-51.3	147.5	173.9	-30.6	36	0	0	0	111.8	L502 G503 G549 F574 Q585 R586	L502-P525 WeakPolarHBondContact CA-O 3.48Å; L502-P525 HydrophobicContact CD1-CB 3.84Å; G503-P525 PolarHBondContact N-O 3.03Å; P525-G549 CarbonylContact C-O 3.51Å; P525-G549 VanDerWaalsContact CA-O 3.26Å; P525-G549 WeakPolarHBondContact CA-O 3.49Å; P525-G549 WeakPolarHBondContact CB-O 3.39Å; P525-F574 HydrophobicContact CB-CE2 4.27Å; P525-F574 HydrophobicContact CG-CE2 4.35Å; P525-Q585 HydrophobicContact CG-CG 4.08Å; P525-R586 HydrophobicContact CG-CG 4.44Å
526	S	98.4	Very high	95.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.8	179.9	65.2	0	0	0	0	112.9	G503 G549 Y551	G503-S526 CarbonylContact O-C 3.59Å; G503-S526 VanDerWaalsContact O-CA 3.23Å; G503-S526 WeakPolarHBondContact O-CA 3.41Å; S526-G549 PolarHBondContact N-O 3.46Å; S526-Y551 PolarHBondContact O-N 2.96Å
527	I	98.8	Very high	95.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	167.5	-46.6	-169.3	0	0	0	108.2	L502 G503 V504 F505 Y551 L553 L567 F570 L571	L502-I527 HydrophobicContact CD1-CG1 4.16Å; L502-I527 HydrophobicContact CD2-CD1 4.07Å; L502-I527 HydrophobicContact CD2-CG1 4.26Å; L502-I527 HydrophobicContact CG-CG1 4.38Å; G503-I527 PolarHBondContact O-N 3.39Å; V504-I527 HydrophobicContact CG1-CB 4.4Å; V504-I527 HydrophobicContact CG1-CD1 4.36Å; V504-I527 HydrophobicContact CG2-CD1 4.33Å; V504-I527 HydrophobicContact CG2-CG1 4.44Å; F505-I527 CarbonylContact C-O 3.53Å; F505-I527 WeakPolarHBondContact CA-O 3.47Å; F505-I527 PolarHBondContact N-O 3.04Å; I527-Y551 CarbonylContact C-O 3.55Å; I527-Y551 VanDerWaalsContact CA-O 3.31Å; I527-Y551 WeakPolarHBondContact CA-O 3.4Å; I527-Y551 HydrophobicContact CG1-CD2 4.18Å; I527-Y551 HydrophobicContact CG1-CG 4.33Å; I527-L553 HydrophobicContact CG2-CB 4.42Å; I527-L567 HydrophobicContact CD1-CD1 3.62Å; I527-L567 HydrophobicContact CG2-CD1 3.9Å; I527-F570 HydrophobicContact CD1-CB 3.96Å; I527-F570 HydrophobicContact CG2-CD2 4.33Å; I527-L571 HydrophobicContact CD1-CD2 3.76Å; I527-L571 HydrophobicContact CD1-CG 4.4Å
528	S	98.3	Very high	95.6	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	-167.4	171.8	-167.8	0	0	0	0	109.7	S532 Y551 L553	S528-S532 VanDerWaalsContact OG-CB 3.31Å; S528-S532 WeakPolarHBondContact OG-CB 3.42Å; S528-S532 PolarHBondContact OG-OG 2.98Å; S528-Y551 PolarHBondContact N-O 3.29Å; S528-L553 WeakPolarHBondContact O-CB 3.4Å; S528-L553 PolarHBondContact O-N 3.38Å
529	T	98.4	Very high	95.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	157.9	-178.4	73.7	0	0	0	0	111.7	P506 S507 L531 S532 G535 L553 R555	P506-T529 VanDerWaalsContact CA-CG2 3.43Å; P506-T529 HydrophobicContact CB-CG2 4.4Å; S507-T529 WeakPolarHBondContact O-CB 3.36Å; S507-T529 WeakPolarHBondContact O-CG2 3.32Å; S507-T529 PolarHBondContact O-OG1 2.74Å; T529-L531 PolarHBondContact O-N 3.08Å; T529-L531 VanDerWaalsContact O-N 3.11Å; T529-L531 PolarHBondContact OG1-N 3.15Å; T529-S532 WeakPolarHBondContact O-CB 3.4Å; T529-S532 PolarHBondContact O-N 3.3Å; T529-S532 PolarHBondContact OG1-N 3.25Å; T529-G535 WeakPolarHBondContact O-CA 3.4Å; T529-L553 VanDerWaalsContact CA-O 3.25Å; T529-L553 WeakPolarHBondContact CA-O 3.47Å; T529-L553 HydrophobicContact CG2-CB 4.18Å; T529-L553 HydrophobicContact CG2-CD2 4.29Å; T529-R555 HydrophobicContact CG2-CG 3.94Å
530	N	96.3	Very high	95.2	Very high	12 Å²	12	13.7 Å²	13.7	6%	0.064	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	12	168.6	64.9	-7.3	0	0	0	114	C536 I552 L553 D554 R555 R556	N530-C536 PolarHBondContact O-SG 3.48Å; N530-I552 HydrophobicContact CB-CG2 4.16Å; N530-L553 PolarHBondContact N-O 3.05Å; N530-L553 VanDerWaalsContact N-O 3.08Å; N530-L553 PolarHBondContact OD1-O 2.96Å; N530-D554 PolarHBondContact ND2-OD1 3.3Å; N530-R555 PolarHBondContact OD1-N 3.3Å; N530-R556 PolarHBondContact OD1-N 2.87Å
531	L	96.3	Very high	94.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-0	168.2	-64.3	179	0	0	0	112.2	Y221 I261 Y508 T529 R555 R556	Y221-L531 HydrophobicContact CD1-CD2 4.1Å; Y221-L531 HydrophobicContact CD2-CD1 3.71Å; Y221-L531 HydrophobicContact CD2-CD2 3.6Å; Y221-L531 HydrophobicContact CD2-CG 4.2Å; Y221-L531 HydrophobicContact CE1-CD2 4.3Å; Y221-L531 HydrophobicContact CE2-CB 4.18Å; Y221-L531 HydrophobicContact CE2-CD1 3.82Å; Y221-L531 HydrophobicContact CE2-CD2 3.8Å; Y221-L531 HydrophobicContact CE2-CG 4.16Å; Y221-L531 HydrophobicContact CG-CD2 3.73Å; I261-L531 HydrophobicContact CD1-CD2 4.07Å; Y508-L531 HydrophobicContact CD2-CD1 3.71Å; Y508-L531 HydrophobicContact CE2-CD1 3.9Å; Y508-L531 WeakPolarHBondContact O-CB 3.32Å; T529-L531 PolarHBondContact O-N 3.08Å; T529-L531 VanDerWaalsContact O-N 3.11Å; T529-L531 PolarHBondContact OG1-N 3.15Å; L531-R555 HydrophobicContact CD1-CB 3.74Å; L531-R555 WeakPolarHBondContact CD1-O 3.21Å; L531-R555 HydrophobicContact CG-CB 4.23Å; L531-R556 HydrophobicContact CD2-CB 3.71Å; L531-R556 HydrophobicContact CD2-CG 3.86Å; L531-R556 HydrophobicContact CG-CB 4.13Å
532	S	97.2	Very high	94.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-98.3	136.5	174.1	-177	0	0	0	0	109.2	E510 W512 S528 T529 F534 G535 C536	E510-S532 WeakPolarHBondContact O-CA 3.22Å; E510-S532 PolarHBondContact OE2-OG 2.59Å; W512-S532 PolarHBondContact O-OG 3.26Å; W512-S532 VanDerWaalsContact O-OG 3.09Å; S528-S532 VanDerWaalsContact OG-CB 3.31Å; S528-S532 WeakPolarHBondContact OG-CB 3.42Å; S528-S532 PolarHBondContact OG-OG 2.98Å; T529-S532 WeakPolarHBondContact O-CB 3.4Å; T529-S532 PolarHBondContact O-N 3.3Å; T529-S532 PolarHBondContact OG1-N 3.25Å; S532-F534 VanDerWaalsContact C-N 3.26Å; S532-F534 PolarHBondContact O-N 3.5Å; S532-G535 PolarHBondContact O-N 2.93Å; S532-C536 PolarHBondContact O-N 3.31Å; S532-C536 PolarHBondContact O-SG 3.1Å; S532-C536 VanDerWaalsContact O-SG 3.39Å
533	G	96.3	Very high	94.4	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-57	-39.2	179.5	0	0	0	0	0	113.7	E510 W512 F537	E510-G533 PolarHBondContact O-N 2.97Å; W512-G533 CarbonylContact O-C 3.6Å; W512-G533 WeakPolarHBondContact O-CA 3.47Å; W512-G533 PolarHBondContact O-N 3.23Å; G533-F537 WeakPolarHBondContact O-CB 3.35Å; G533-F537 PolarHBondContact O-N 3.38Å
534	F	96.8	Very high	94.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.5	-47.2	173.3	170.3	-92.6	0	0	0	110.9	W512 P516 A517 T520 S532 C536 F537 M538 I550 L596	W512-F534 WeakPolarHBondContact O-CB 3.26Å; W512-F534 PolarHBondContact O-N 3.02Å; P516-F534 HydrophobicContact CB-CD1 3.63Å; P516-F534 HydrophobicContact CB-CE1 3.61Å; P516-F534 HydrophobicContact CB-CG 4.19Å; P516-F534 HydrophobicContact CB-CZ 4.13Å; P516-F534 HydrophobicContact CG-CB 4.2Å; P516-F534 HydrophobicContact CG-CD1 3.66Å; P516-F534 HydrophobicContact CG-CE1 4.19Å; P516-F534 HydrophobicContact CG-CG 3.89Å; A517-F534 HydrophobicContact CB-CD2 3.88Å; A517-F534 HydrophobicContact CB-CE2 4.03Å; T520-F534 WeakPolarHBondContact OG1-CZ 3.41Å; S532-F534 VanDerWaalsContact C-N 3.26Å; S532-F534 PolarHBondContact O-N 3.5Å; F534-C536 PolarHBondContact O-N 2.93Å; F534-F537 PolarHBondContact O-N 3.03Å; F534-M538 HydrophobicContact CD1-CG 4.21Å; F534-M538 HydrophobicContact CD2-CG 4.11Å; F534-M538 HydrophobicContact CE1-CG 3.8Å; F534-M538 HydrophobicContact CE2-CE 4.11Å; F534-M538 HydrophobicContact CE2-CG 3.7Å; F534-M538 HydrophobicContact CE2-SD 3.95Å; F534-M538 HydrophobicContact CG-CG 4.36Å; F534-M538 HydrophobicContact CZ-CE 3.86Å; F534-M538 HydrophobicContact CZ-CG 3.55Å; F534-M538 HydrophobicContact CZ-SD 4.12Å; F534-M538 VanDerWaalsContact O-CG 3.25Å; F534-M538 WeakPolarHBondContact O-CG 3.31Å; F534-M538 PolarHBondContact O-N 3.49Å; F534-I550 HydrophobicContact CE1-CG2 4.2Å; F534-I550 HydrophobicContact CZ-CD1 4.28Å; F534-L596 HydrophobicContact CD2-CD2 4.39Å; F534-L596 HydrophobicContact CE2-CD1 3.95Å; F534-L596 HydrophobicContact CE2-CD2 4.14Å
535	G	96.2	Very high	93.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.4	-48.3	178.8	0	0	0	0	0	111.8	T529 S532 F537 M538 E539 I552	T529-G535 WeakPolarHBondContact O-CA 3.4Å; S532-G535 PolarHBondContact O-N 2.93Å; G535-F537 PolarHBondContact O-N 3.11Å; G535-M538 PolarHBondContact O-N 2.9Å; G535-E539 WeakPolarHBondContact O-CB 3.44Å; G535-E539 PolarHBondContact O-N 3.47Å; G535-I552 WeakPolarHBondContact O-CD1 3.46Å
536	C	93.8	Very high	93.5	Very high	20 Å²	20	19.5 Å²	19.5	14%	0.135	11%	0.11	C	C	.	.	H	α-helix	trans	-58.3	-45.5	175.1	-63.5	0	0	0	0	112.1	N530 S532 F534 M538 E539 E540	N530-C536 PolarHBondContact O-SG 3.48Å; S532-C536 PolarHBondContact O-N 3.31Å; S532-C536 PolarHBondContact O-SG 3.1Å; S532-C536 VanDerWaalsContact O-SG 3.39Å; F534-C536 PolarHBondContact O-N 2.93Å; C536-M538 PolarHBondContact O-N 2.75Å; C536-E539 PolarHBondContact O-N 2.88Å; C536-E540 WeakPolarHBondContact O-CB 3.46Å; C536-E540 PolarHBondContact O-N 3.42Å; C536-E540 VanDerWaalsContact O-N 3.12Å
537	F	94.1	Very high	93.1	Very high	8 Å²	8	20 Å²	20	4%	0.035	12%	0.115	C	C	.	.	H	α-helix	trans	-60.4	-46.7	178.8	175.6	-96.5	0	0	0	111.8	P279 W512 G533 F534 G535 E540 H541 L596 Y600 L601	P279-F537 HydrophobicContact CB-CD2 4.23Å; P279-F537 HydrophobicContact CB-CE2 4.38Å; P279-F537 HydrophobicContact CG-CD2 4.03Å; P279-F537 HydrophobicContact CG-CE2 4.14Å; W512-F537 HydrophobicContact CH2-CB 3.97Å; W512-F537 HydrophobicContact CH2-CD1 4.21Å; W512-F537 HydrophobicContact CH2-CD2 4.44Å; W512-F537 AromaticContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CZ3-CB 4.03Å; W512-F537 HydrophobicContact CZ3-CG 4.4Å; G533-F537 WeakPolarHBondContact O-CB 3.35Å; G533-F537 PolarHBondContact O-N 3.38Å; F534-F537 PolarHBondContact O-N 3.03Å; G535-F537 PolarHBondContact O-N 3.11Å; F537-E540 PolarHBondContact O-N 3.13Å; F537-H541 AromaticContact CD2-CE1 3.48Å; F537-H541 VanDerWaalsContact CD2-CE1 3.48Å; F537-H541 WeakPolarHBondContact CD2-CE1 3.31Å; F537-H541 AromaticContact CD2-ND1 3.52Å; F537-H541 AromaticContact CE2-CD2 4Å; F537-H541 AromaticContact CE2-CE1 3.36Å; F537-H541 WeakPolarHBondContact CE2-CE1 3.41Å; F537-H541 AromaticContact CE2-CG 3.95Å; F537-H541 AromaticContact CE2-ND1 3.55Å; F537-H541 AromaticContact CE2-NE2 3.61Å; F537-H541 WeakPolarHBondContact O-CB 3.48Å; F537-H541 PolarHBondContact O-N 3.03Å; F537-H541 PolarHBondContact O-ND1 3.32Å; F537-L596 HydrophobicContact CD1-CD2 4.16Å; F537-L596 HydrophobicContact CE1-CD2 3.87Å; F537-Y600 HydrophobicContact CZ-CE1 4.48Å; F537-L601 HydrophobicContact CE2-CD2 3.86Å; F537-L601 HydrophobicContact CZ-CD2 3.75Å
538	M	93.6	Very high	92.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.8	-35.2	-179.7	-62.3	-61.3	-94.1	0	0	112.4	T520 F534 G535 C536 E540 I542 I550 L592 L596	T520-M538 HydrophobicContact CG2-CE 4.22Å; F534-M538 HydrophobicContact CD1-CG 4.21Å; F534-M538 HydrophobicContact CD2-CG 4.11Å; F534-M538 HydrophobicContact CE1-CG 3.8Å; F534-M538 HydrophobicContact CE2-CE 4.11Å; F534-M538 HydrophobicContact CE2-CG 3.7Å; F534-M538 HydrophobicContact CE2-SD 3.95Å; F534-M538 HydrophobicContact CG-CG 4.36Å; F534-M538 HydrophobicContact CZ-CE 3.86Å; F534-M538 HydrophobicContact CZ-CG 3.55Å; F534-M538 HydrophobicContact CZ-SD 4.12Å; F534-M538 VanDerWaalsContact O-CG 3.25Å; F534-M538 WeakPolarHBondContact O-CG 3.31Å; F534-M538 PolarHBondContact O-N 3.49Å; G535-M538 PolarHBondContact O-N 2.9Å; C536-M538 PolarHBondContact O-N 2.75Å; M538-E540 VanDerWaalsContact C-N 3.33Å; M538-I542 HydrophobicContact CB-CD1 4.2Å; M538-I542 HydrophobicContact CE-CD1 3.58Å; M538-I542 VanDerWaalsContact O-CB 3.29Å; M538-I542 WeakPolarHBondContact O-CB 3.5Å; M538-I542 WeakPolarHBondContact O-CG1 3.39Å; M538-I542 PolarHBondContact O-N 3.23Å; M538-I542 VanDerWaalsContact O-N 3.15Å; M538-I542 HydrophobicContact SD-CD1 3.9Å; M538-I550 HydrophobicContact CB-CG2 4.03Å; M538-I550 HydrophobicContact CE-CD1 3.98Å; M538-I550 HydrophobicContact CE-CG1 3.77Å; M538-I550 HydrophobicContact CE-CG2 4.47Å; M538-I550 HydrophobicContact CG-CG2 4.24Å; M538-L592 HydrophobicContact CE-CB 4.28Å; M538-L592 HydrophobicContact CE-CD1 3.74Å; M538-L596 HydrophobicContact SD-CD2 4.21Å
539	E	91.3	Very high	92.7	Very high	97 Å²	97	20 Å²	20	45%	0.453	12%	0.115	S	C	.	.	H	α-helix	trans	-62.8	-41.1	175.7	-167.1	165.9	-148.2	0	0	112.1	G535 C536 I552	G535-E539 WeakPolarHBondContact O-CB 3.44Å; G535-E539 PolarHBondContact O-N 3.47Å; C536-E539 PolarHBondContact O-N 2.88Å; E539-I552 HydrophobicContact CB-CD1 3.57Å; E539-I552 HydrophobicContact CG-CD1 4.16Å
540	E	87.9	Confident	92.7	Very high	98 Å²	98	20.1 Å²	20.1	46%	0.458	12%	0.115	S	C	.	.	H	α-helix	trans	-70.9	-44.7	179.9	-176.3	174.4	-167.2	0	0	111.8	C536 F537 M538 T631	C536-E540 WeakPolarHBondContact O-CB 3.46Å; C536-E540 PolarHBondContact O-N 3.42Å; C536-E540 VanDerWaalsContact O-N 3.12Å; F537-E540 PolarHBondContact O-N 3.13Å; M538-E540 VanDerWaalsContact C-N 3.33Å; E540-T631 WeakPolarHBondContact OE1-CG2 3.38Å
541	H	86.1	Confident	92.8	Very high	15 Å²	15	20.4 Å²	20.4	7%	0.069	12%	0.116	C	C	.	.	H	α-helix	trans	-91	-6.2	-169.4	-66.7	74.7	0	0	0	114.4	F537 Y604 R635 Y636	F537-H541 AromaticContact CD2-CE1 3.48Å; F537-H541 VanDerWaalsContact CD2-CE1 3.48Å; F537-H541 WeakPolarHBondContact CD2-CE1 3.31Å; F537-H541 AromaticContact CD2-ND1 3.52Å; F537-H541 AromaticContact CE2-CD2 4Å; F537-H541 AromaticContact CE2-CE1 3.36Å; F537-H541 WeakPolarHBondContact CE2-CE1 3.41Å; F537-H541 AromaticContact CE2-CG 3.95Å; F537-H541 AromaticContact CE2-ND1 3.55Å; F537-H541 AromaticContact CE2-NE2 3.61Å; F537-H541 WeakPolarHBondContact O-CB 3.48Å; F537-H541 PolarHBondContact O-N 3.03Å; F537-H541 PolarHBondContact O-ND1 3.32Å; H541-Y604 PolarHBondContact NE2-OH 3.44Å; H541-R635 WeakPolarHBondContact O-CA 3.29Å; H541-Y636 PolarHBondContact O-N 3.23Å
542	I	87.6	Confident	92.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-126.7	136.7	-175.8	-53.6	172.2	0	0	0	110.5	M538 P545 Y548 L592 L595 R635	M538-I542 HydrophobicContact CB-CD1 4.2Å; M538-I542 HydrophobicContact CE-CD1 3.58Å; M538-I542 VanDerWaalsContact O-CB 3.29Å; M538-I542 WeakPolarHBondContact O-CB 3.5Å; M538-I542 WeakPolarHBondContact O-CG1 3.39Å; M538-I542 PolarHBondContact O-N 3.23Å; M538-I542 VanDerWaalsContact O-N 3.15Å; M538-I542 HydrophobicContact SD-CD1 3.9Å; I542-P545 HydrophobicContact CB-CG 4.15Å; I542-P545 HydrophobicContact CG2-CG 4.29Å; I542-Y548 HydrophobicContact CG2-CD2 3.98Å; I542-Y548 HydrophobicContact CG2-CE2 4.37Å; I542-L592 HydrophobicContact CD1-CD1 3.62Å; I542-L592 HydrophobicContact CD1-CD2 3.87Å; I542-L592 HydrophobicContact CD1-CG 4.35Å; I542-L592 HydrophobicContact CG1-CD2 4.45Å; I542-L595 HydrophobicContact CD1-CD1 4.32Å; I542-L595 HydrophobicContact CG1-CD1 4.18Å; I542-R635 PolarHBondContact O-NE 3.19Å; I542-R635 PolarHBondContact O-NH2 3.45Å
543	A	86	Confident	92.9	Very high	44 Å²	44	21.6 Å²	21.6	36%	0.364	12%	0.122	S	C	.	.	S	Bend	trans	-71.1	-42	-179.4	0	0	0	0	0	113.4	R635 Y636	A543-R635 VanDerWaalsContact CA-NE 3.33Å; A543-R635 HydrophobicContact CB-CG 4.17Å; A543-Y636 WeakPolarHBondContact CB-O 3.37Å; A543-Y636 PolarHBondContact N-O 2.95Å
544	D	88.2	Confident	92.9	Very high	35 Å²	35	23 Å²	23	19%	0.187	13%	0.129	C	C	.	.			trans	-137.9	79.8	179.4	-175.7	-4.7	0	0	0	109.6	S546 A547 Y548 R638	D544-S546 PolarHBondContact O-N 3.07Å; D544-S546 PolarHBondContact OD1-OG 2.9Å; D544-A547 HydrophobicContact CB-CB 4.18Å; D544-A547 PolarHBondContact O-N 2.74Å; D544-A547 PolarHBondContact OD1-N 2.89Å; D544-A547 WeakPolarHBondContact OD2-CB 3.48Å; D544-Y548 WeakPolarHBondContact O-CD2 3.29Å; D544-R638 HydrophobicContact CB-CG 4.15Å; D544-R638 IonicContact OD2-CZ 3.65Å; D544-R638 IonicContact OD2-NE 3.57Å; D544-R638 PolarHBondContact OD2-NE 3.12Å; D544-R638 VanDerWaalsContact OD2-NE 3.11Å; D544-R638 IonicContact OD2-NH2 2.77Å
545	P	91.6	Very high	92.9	Very high	21 Å²	21	24.2 Å²	24.2	14%	0.136	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-54.4	-37.2	-177.5	-24.6	31.8	0	0	0	112.9	I542 A547 Y548 G549 I550 I552	I542-P545 HydrophobicContact CB-CG 4.15Å; I542-P545 HydrophobicContact CG2-CG 4.29Å; P545-A547 VanDerWaalsContact C-N 3.33Å; P545-A547 PolarHBondContact O-N 2.86Å; P545-Y548 CarbonylContact O-C 3.57Å; P545-Y548 PolarHBondContact O-N 3.03Å; P545-Y548 VanDerWaalsContact O-N 3.08Å; P545-G549 PolarHBondContact O-N 2.77Å; P545-I550 CarbonylContact C-O 3.5Å; P545-I550 HydrophobicContact CB-CB 3.98Å; P545-I550 HydrophobicContact CB-CG2 4.24Å; P545-I550 WeakPolarHBondContact CB-O 3.22Å; P545-I550 PolarHBondContact O-N 2.58Å; P545-I550 VanDerWaalsContact O-O 3.14Å; P545-I552 HydrophobicContact CB-CD1 4.14Å; P545-I552 HydrophobicContact CB-CG1 4.49Å; P545-I552 HydrophobicContact CG-CD1 4.05Å
546	S	91.5	Very high	92.8	Very high	57 Å²	57	27.7 Å²	27.7	40%	0.399	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-64.3	-36.4	-176.1	76.7	0	0	0	0	112.8	D544 Y548 G549 I550	D544-S546 PolarHBondContact O-N 3.07Å; D544-S546 PolarHBondContact OD1-OG 2.9Å; S546-Y548 PolarHBondContact O-N 2.87Å; S546-G549 PolarHBondContact O-N 2.81Å; S546-I550 WeakPolarHBondContact CA-O 3.47Å; S546-I550 PolarHBondContact N-O 2.93Å
547	A	89.7	Confident	92.8	Very high	12 Å²	12	34 Å²	34	10%	0.099	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-66.3	-24.2	176.8	0	0	0	0	0	113.3	D544 P545 R588 P639 V642	D544-A547 HydrophobicContact CB-CB 4.18Å; D544-A547 PolarHBondContact O-N 2.74Å; D544-A547 PolarHBondContact OD1-N 2.89Å; D544-A547 WeakPolarHBondContact OD2-CB 3.48Å; P545-A547 VanDerWaalsContact C-N 3.33Å; P545-A547 PolarHBondContact O-N 2.86Å; A547-R588 VanDerWaalsContact O-CD 3.27Å; A547-R588 WeakPolarHBondContact O-CD 3.46Å; A547-R588 PolarHBondContact O-NH1 2.81Å; A547-R588 VanDerWaalsContact O-NH1 3.11Å; A547-P639 HydrophobicContact CB-CG 3.91Å; A547-V642 HydrophobicContact CB-CG2 4.21Å
548	Y	92.3	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-93.7	6.6	173.1	-71.5	-87.3	0	0	0	113.6	I542 D544 P545 S546 R588 T589 L592 Y636 P637 P639	I542-Y548 HydrophobicContact CG2-CD2 3.98Å; I542-Y548 HydrophobicContact CG2-CE2 4.37Å; D544-Y548 WeakPolarHBondContact O-CD2 3.29Å; P545-Y548 CarbonylContact O-C 3.57Å; P545-Y548 PolarHBondContact O-N 3.03Å; P545-Y548 VanDerWaalsContact O-N 3.08Å; S546-Y548 PolarHBondContact O-N 2.87Å; Y548-R588 HydrophobicContact CD1-CB 3.79Å; Y548-R588 WeakPolarHBondContact CD1-O 3.43Å; Y548-R588 HydrophobicContact CE1-CB 4.31Å; Y548-T589 VanDerWaalsContact O-CA 3.25Å; Y548-T589 WeakPolarHBondContact O-CA 3.32Å; Y548-T589 WeakPolarHBondContact O-CB 3.45Å; Y548-T589 PolarHBondContact O-N 2.87Å; Y548-T589 PolarHBondContact O-OG1 2.86Å; Y548-L592 VanDerWaalsContact CB-CD1 3.45Å; Y548-L592 HydrophobicContact CD1-CD1 4.23Å; Y548-L592 HydrophobicContact CD1-CD2 3.83Å; Y548-L592 HydrophobicContact CD1-CG 3.92Å; Y548-L592 HydrophobicContact CE1-CD2 4.29Å; Y548-L592 HydrophobicContact CG-CD1 3.98Å; Y548-L592 HydrophobicContact CG-CD2 4.06Å; Y548-L592 HydrophobicContact CG-CG 4.16Å; Y548-Y636 HydrophobicContact CD1-CE1 4.49Å; Y548-Y636 AromaticContact CE1-CD1 3.95Å; Y548-Y636 HydrophobicContact CE1-CD1 3.95Å; Y548-Y636 AromaticContact CE1-CE1 3.49Å; Y548-Y636 HydrophobicContact CE1-CE1 3.49Å; Y548-Y636 VanDerWaalsContact CE1-CE1 3.49Å; Y548-Y636 AromaticContact CE2-CD1 3.91Å; Y548-Y636 HydrophobicContact CE2-CD1 3.91Å; Y548-Y636 HydrophobicContact CE2-CE1 4.27Å; Y548-Y636 AromaticContact CZ-CD1 3.48Å; Y548-Y636 VanDerWaalsContact CZ-CD1 3.48Å; Y548-Y636 AromaticContact CZ-CE1 3.37Å; Y548-Y636 WeakPolarHBondContact OH-CD1 3.42Å; Y548-Y636 WeakPolarHBondContact OH-CE1 3.4Å; Y548-P637 WeakPolarHBondContact CE2-O 3.44Å; Y548-P637 PolarHBondContact OH-O 3.34Å; Y548-P639 HydrophobicContact CD1-CG 4.46Å; Y548-P639 HydrophobicContact CD2-CG 4.01Å; Y548-P639 HydrophobicContact CE1-CG 3.99Å; Y548-P639 HydrophobicContact CE2-CG 3.5Å; Y548-P639 HydrophobicContact CG-CG 4.44Å; Y548-P639 VanDerWaalsContact CZ-CG 3.44Å; Y548-P639 WeakPolarHBondContact OH-CA 3.45Å
549	G	95.4	Very high	92.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	18.5	179.5	0	0	0	0	0	114.6	P525 S526 P545 S546	P525-G549 CarbonylContact C-O 3.51Å; P525-G549 VanDerWaalsContact CA-O 3.26Å; P525-G549 WeakPolarHBondContact CA-O 3.49Å; P525-G549 WeakPolarHBondContact CB-O 3.39Å; S526-G549 PolarHBondContact N-O 3.46Å; P545-G549 PolarHBondContact O-N 2.77Å; S546-G549 PolarHBondContact O-N 2.81Å
550	I	97.9	Very high	93	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	105.9	173.2	-51.5	-60.3	0	0	0	108.3	T520 F534 M538 P545 S546 I552 T589 L592	T520-I550 HydrophobicContact CG2-CD1 4.26Å; T520-I550 WeakPolarHBondContact OG1-CD1 3.12Å; F534-I550 HydrophobicContact CE1-CG2 4.2Å; F534-I550 HydrophobicContact CZ-CD1 4.28Å; M538-I550 HydrophobicContact CB-CG2 4.03Å; M538-I550 HydrophobicContact CE-CD1 3.98Å; M538-I550 HydrophobicContact CE-CG1 3.77Å; M538-I550 HydrophobicContact CE-CG2 4.47Å; M538-I550 HydrophobicContact CG-CG2 4.24Å; P545-I550 CarbonylContact C-O 3.5Å; P545-I550 HydrophobicContact CB-CB 3.98Å; P545-I550 HydrophobicContact CB-CG2 4.24Å; P545-I550 WeakPolarHBondContact CB-O 3.22Å; P545-I550 PolarHBondContact O-N 2.58Å; P545-I550 VanDerWaalsContact O-O 3.14Å; S546-I550 WeakPolarHBondContact CA-O 3.47Å; S546-I550 PolarHBondContact N-O 2.93Å; I550-I552 HydrophobicContact CG2-CG1 4.35Å; I550-T589 HydrophobicContact CD1-CG2 4.33Å; I550-L592 HydrophobicContact CD1-CD1 4.35Å; I550-L592 HydrophobicContact CG1-CD1 3.67Å
551	Y	98.2	Very high	93.4	Very high	19 Å²	19	41.8 Å²	41.8	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123	-179.2	-58.5	-89.4	0	0	0	109.6	L502 S526 I527 S528 F570 F574 Q585	L502-Y551 HydrophobicContact CD1-CD2 4.39Å; L502-Y551 HydrophobicContact CD1-CE2 4.31Å; S526-Y551 PolarHBondContact O-N 2.96Å; I527-Y551 CarbonylContact C-O 3.55Å; I527-Y551 VanDerWaalsContact CA-O 3.31Å; I527-Y551 WeakPolarHBondContact CA-O 3.4Å; I527-Y551 HydrophobicContact CG1-CD2 4.18Å; I527-Y551 HydrophobicContact CG1-CG 4.33Å; S528-Y551 PolarHBondContact N-O 3.29Å; Y551-F570 HydrophobicContact CD1-CB 4.44Å; Y551-F570 HydrophobicContact CD1-CD1 4.17Å; Y551-F570 HydrophobicContact CD1-CG 4.18Å; Y551-F574 HydrophobicContact CE2-CD2 4.43Å; Y551-Q585 PolarHBondContact OH-NE2 3.19Å
552	I	98.1	Very high	93.9	Very high	25 Å²	25	44.8 Å²	44.8	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	109.2	-177.7	-52.6	-177.2	0	0	0	108.1	N530 G535 E539 P545 I550	N530-I552 HydrophobicContact CB-CG2 4.16Å; G535-I552 WeakPolarHBondContact O-CD1 3.46Å; E539-I552 HydrophobicContact CB-CD1 3.57Å; E539-I552 HydrophobicContact CG-CD1 4.16Å; P545-I552 HydrophobicContact CB-CD1 4.14Å; P545-I552 HydrophobicContact CB-CG1 4.49Å; P545-I552 HydrophobicContact CG-CD1 4.05Å; I550-I552 HydrophobicContact CG2-CG1 4.35Å
553	L	98.1	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130	176.1	178.5	69.6	0	0	0	109.8	V341 P506 I527 S528 T529 N530 R555 S563 Q566 L567	V341-L553 HydrophobicContact CG1-CD2 4.5Å; P506-L553 HydrophobicContact CB-CD2 3.76Å; I527-L553 HydrophobicContact CG2-CB 4.42Å; S528-L553 WeakPolarHBondContact O-CB 3.4Å; S528-L553 PolarHBondContact O-N 3.38Å; T529-L553 VanDerWaalsContact CA-O 3.25Å; T529-L553 WeakPolarHBondContact CA-O 3.47Å; T529-L553 HydrophobicContact CG2-CB 4.18Å; T529-L553 HydrophobicContact CG2-CD2 4.29Å; N530-L553 PolarHBondContact N-O 3.05Å; N530-L553 VanDerWaalsContact N-O 3.08Å; N530-L553 PolarHBondContact OD1-O 2.96Å; L553-R555 HydrophobicContact CD2-CG 3.69Å; L553-R555 HydrophobicContact CG-CG 3.89Å; L553-R555 PolarHBondContact O-N 2.82Å; L553-S563 VanDerWaalsContact CD1-O 3.29Å; L553-S563 WeakPolarHBondContact CD1-O 3.29Å; L553-Q566 HydrophobicContact CD1-CB 3.79Å; L553-Q566 HydrophobicContact CD1-CG 3.91Å; L553-L567 HydrophobicContact CD1-CB 4.03Å; L553-L567 HydrophobicContact CD2-CB 4.28Å
554	D	97.4	Very high	95	Very high	31 Å²	31	43 Å²	43	17%	0.166	22%	0.217	C	C	.	.			trans	-82.6	101	175.4	-176.8	3.9	0	0	0	109.5	N530 R556 F557 R558 S563	N530-D554 PolarHBondContact ND2-OD1 3.3Å; D554-R556 PolarHBondContact OD1-N 3.19Å; D554-F557 PolarHBondContact OD1-N 3.49Å; D554-R558 HydrophobicContact CB-CG 4.29Å; D554-R558 WeakPolarHBondContact OD2-CG 3.3Å; D554-R558 IonicContact OD2-NE 3.81Å; D554-S563 PolarHBondContact O-OG 3.35Å; D554-S563 VanDerWaalsContact O-OG 3.13Å
555	R	95.6	Very high	95.5	Very high	25 Å²	25	43.5 Å²	43.5	9%	0.094	22%	0.223	C	C	.	.			trans	-106.6	-1.8	174.3	-69.4	-157.1	67.6	176.6	-3.5	112.7	P506 T529 N530 L531 L553	P506-R555 WeakPolarHBondContact O-CD 3.42Å; P506-R555 PolarHBondContact O-NH1 3.27Å; T529-R555 HydrophobicContact CG2-CG 3.94Å; N530-R555 PolarHBondContact OD1-N 3.3Å; L531-R555 HydrophobicContact CD1-CB 3.74Å; L531-R555 WeakPolarHBondContact CD1-O 3.21Å; L531-R555 HydrophobicContact CG-CB 4.23Å; L553-R555 HydrophobicContact CD2-CG 3.69Å; L553-R555 HydrophobicContact CG-CG 3.89Å; L553-R555 PolarHBondContact O-N 2.82Å
556	R	93.9	Very high	95.8	Very high	73 Å²	73	44.2 Å²	44.2	28%	0.275	22%	0.224	S	C	.	.	S	Bend	trans	-95.2	-43.1	-176.2	-172.1	171.5	178.8	178.5	-0.6	112.3	N530 L531 D554	N530-R556 PolarHBondContact OD1-N 2.87Å; L531-R556 HydrophobicContact CD2-CB 3.71Å; L531-R556 HydrophobicContact CD2-CG 3.86Å; L531-R556 HydrophobicContact CG-CB 4.13Å; D554-R556 PolarHBondContact OD1-N 3.19Å
557	F	94.4	Very high	96.2	Very high	152 Å²	152	41.5 Å²	41.5	67%	0.667	21%	0.205	S	C	*	.	S	Bend	trans	-111.9	7.5	-171.5	-52	-66.8	0	0	0	113.2	D554	D554-F557 PolarHBondContact OD1-N 3.49Å
558	R	93.8	Very high	96.6	Very high	123 Å²	123	41.2 Å²	41.2	46%	0.464	20%	0.202	S	C	.	.	S	Bend	trans	-123.7	155.8	-179.5	-72	-175.2	-175.4	-142.3	-5.2	112	D554 D562	D554-R558 HydrophobicContact CB-CG 4.29Å; D554-R558 WeakPolarHBondContact OD2-CG 3.3Å; D554-R558 IonicContact OD2-NE 3.81Å; R558-D562 HydrophobicContact CB-CB 4.04Å; R558-D562 HydrophobicContact CG-CB 4.47Å
559	S	95	Very high	96.9	Very high	58 Å²	58	44.7 Å²	44.7	41%	0.406	23%	0.227	S	C	.	.			trans	-64.7	163	170.9	78.1	0	0	0	0	111.1	D561 D562 S563	S559-D561 VanDerWaalsContact C-N 3.28Å; S559-D561 PolarHBondContact O-N 3.3Å; S559-D562 WeakPolarHBondContact CB-OD2 3.31Å; S559-D562 PolarHBondContact O-N 3.36Å; S559-D562 WeakPolarHBondContact OG-CB 3.08Å; S559-D562 PolarHBondContact OG-N 3.31Å; S559-D562 VanDerWaalsContact OG-N 3.16Å; S559-D562 PolarHBondContact OG-OD2 2.78Å; S559-S563 WeakPolarHBondContact O-CB 3.46Å; S559-S563 PolarHBondContact O-N 2.85Å; S559-S563 PolarHBondContact O-OG 3.13Å
560	L	93.8	Very high	97	Very high	101 Å²	101	46.8 Å²	46.8	53%	0.529	24%	0.236	S	C	.	.	H	α-helix	trans	-60.3	-39.7	175.9	-174.3	64.2	0	0	0	111.8	V341 S563 C564	V341-L560 HydrophobicContact CG2-CD1 3.64Å; L560-S563 WeakPolarHBondContact O-CB 3.44Å; L560-S563 PolarHBondContact O-N 2.89Å; L560-C564 PolarHBondContact O-N 2.85Å; L560-C564 PolarHBondContact O-SG 2.88Å; L560-C564 VanDerWaalsContact O-SG 3.34Å
561	D	96.8	Very high	97.1	Very high	85 Å²	85	46.8 Å²	46.8	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-68.5	-41.5	179.9	-172.5	63.9	0	0	0	112.3	R348 S559 S563 C564 S565	R348-D561 IonicContact CZ-OD1 2.99Å; R348-D561 VanDerWaalsContact CZ-OD1 3.25Å; R348-D561 PolarHBondContact NH1-O 3.29Å; R348-D561 IonicContact NH1-OD1 2.85Å; R348-D561 PolarHBondContact NH1-OD1 3.13Å; R348-D561 IonicContact NH1-OD2 3.55Å; R348-D561 IonicContact NH2-OD1 3.85Å; R348-D561 PolarHBondContact NH2-OD1 3.27Å; S559-D561 VanDerWaalsContact C-N 3.28Å; S559-D561 PolarHBondContact O-N 3.3Å; D561-S563 VanDerWaalsContact C-N 3.29Å; D561-S563 PolarHBondContact O-N 3.09Å; D561-C564 WeakPolarHBondContact O-CB 3.19Å; D561-C564 PolarHBondContact O-N 3.45Å; D561-S565 PolarHBondContact O-N 3.05Å; D561-S565 PolarHBondContact O-OG 2.96Å; D561-S565 VanDerWaalsContact O-OG 3.11Å
562	D	97.8	Very high	97.1	Very high	78 Å²	78	48.2 Å²	48.2	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-37.4	174.7	-66.2	-45.6	0	0	0	111.4	R558 S559 S565 Q566	R558-D562 HydrophobicContact CB-CB 4.04Å; R558-D562 HydrophobicContact CG-CB 4.47Å; S559-D562 WeakPolarHBondContact CB-OD2 3.31Å; S559-D562 PolarHBondContact O-N 3.36Å; S559-D562 WeakPolarHBondContact OG-CB 3.08Å; S559-D562 PolarHBondContact OG-N 3.31Å; S559-D562 VanDerWaalsContact OG-N 3.16Å; S559-D562 PolarHBondContact OG-OD2 2.78Å; D562-S565 PolarHBondContact O-N 3.47Å; D562-Q566 WeakPolarHBondContact O-CB 3.49Å; D562-Q566 PolarHBondContact O-N 3.2Å
563	S	97.6	Very high	97.1	Very high	2 Å²	2	50 Å²	50	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-46.2	173.7	-57	0	0	0	0	110.8	L553 D554 S559 L560 D561 S565 Q566 L567	L553-S563 VanDerWaalsContact CD1-O 3.29Å; L553-S563 WeakPolarHBondContact CD1-O 3.29Å; D554-S563 PolarHBondContact O-OG 3.35Å; D554-S563 VanDerWaalsContact O-OG 3.13Å; S559-S563 WeakPolarHBondContact O-CB 3.46Å; S559-S563 PolarHBondContact O-N 2.85Å; S559-S563 PolarHBondContact O-OG 3.13Å; L560-S563 WeakPolarHBondContact O-CB 3.44Å; L560-S563 PolarHBondContact O-N 2.89Å; D561-S563 VanDerWaalsContact C-N 3.29Å; D561-S563 PolarHBondContact O-N 3.09Å; S563-S565 VanDerWaalsContact C-N 3.33Å; S563-S565 PolarHBondContact O-N 2.72Å; S563-Q566 PolarHBondContact O-N 3.28Å; S563-L567 WeakPolarHBondContact O-CB 3.49Å; S563-L567 PolarHBondContact O-N 2.67Å
564	C	98.1	Very high	97.1	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-44.2	174.5	-71.5	0	0	0	0	111.5	E344 L560 D561 L567 T568	E344-C564 HydrophobicContact CG-CB 4.18Å; L560-C564 PolarHBondContact O-N 2.85Å; L560-C564 PolarHBondContact O-SG 2.88Å; L560-C564 VanDerWaalsContact O-SG 3.34Å; D561-C564 WeakPolarHBondContact O-CB 3.19Å; D561-C564 PolarHBondContact O-N 3.45Å; C564-L567 PolarHBondContact O-N 3.43Å; C564-T568 WeakPolarHBondContact O-CB 3.38Å; C564-T568 PolarHBondContact O-N 3.14Å; C564-T568 PolarHBondContact O-OG1 3.34Å; C564-T568 VanDerWaalsContact O-OG1 3.04Å
565	S	98.4	Very high	97.1	Very high	45 Å²	45	48.7 Å²	48.7	32%	0.315	25%	0.249	S	C	.	.	H	α-helix	trans	-65.4	-40.1	178.8	-65	0	0	0	0	112.9	R348 D561 D562 S563 T568 S569	R348-S565 PolarHBondContact NH1-OG 2.99Å; D561-S565 PolarHBondContact O-N 3.05Å; D561-S565 PolarHBondContact O-OG 2.96Å; D561-S565 VanDerWaalsContact O-OG 3.11Å; D562-S565 PolarHBondContact O-N 3.47Å; S563-S565 VanDerWaalsContact C-N 3.33Å; S563-S565 PolarHBondContact O-N 2.72Å; S565-T568 PolarHBondContact O-N 2.72Å; S565-S569 PolarHBondContact O-N 3.45Å; S565-S569 PolarHBondContact O-OG 2.92Å
566	Q	98.5	Very high	97.1	Very high	35 Å²	35	53.3 Å²	53.3	16%	0.164	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-45.1	174.1	-173.9	-177.7	24.9	0	0	111	L553 D562 S563 T568 S569 F570	L553-Q566 HydrophobicContact CD1-CB 3.79Å; L553-Q566 HydrophobicContact CD1-CG 3.91Å; D562-Q566 WeakPolarHBondContact O-CB 3.49Å; D562-Q566 PolarHBondContact O-N 3.2Å; S563-Q566 PolarHBondContact O-N 3.28Å; Q566-T568 PolarHBondContact O-N 2.73Å; Q566-S569 WeakPolarHBondContact O-CB 3.2Å; Q566-S569 PolarHBondContact O-N 2.87Å; Q566-S569 VanDerWaalsContact O-N 3.12Å; Q566-F570 HydrophobicContact CG-CE1 4.29Å; Q566-F570 HydrophobicContact CG-CE2 3.93Å; Q566-F570 HydrophobicContact CG-CZ 3.81Å; Q566-F570 PolarHBondContact O-N 3.4Å
567	L	98.7	Very high	97.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-47.6	176.1	-179.3	57.7	0	0	0	111.1	V341 A345 V504 P506 I527 L553 S563 C564 S569 F570 L571	V341-L567 HydrophobicContact CG1-CD2 3.85Å; A345-L567 HydrophobicContact CB-CB 4.01Å; A345-L567 HydrophobicContact CB-CD2 3.58Å; A345-L567 HydrophobicContact CB-CG 3.66Å; V504-L567 HydrophobicContact CG1-CD1 4.01Å; V504-L567 HydrophobicContact CG1-CD2 4.49Å; P506-L567 HydrophobicContact CB-CD2 4.03Å; P506-L567 HydrophobicContact CG-CD2 4.13Å; I527-L567 HydrophobicContact CD1-CD1 3.62Å; I527-L567 HydrophobicContact CG2-CD1 3.9Å; L553-L567 HydrophobicContact CD1-CB 4.03Å; L553-L567 HydrophobicContact CD2-CB 4.28Å; S563-L567 WeakPolarHBondContact O-CB 3.49Å; S563-L567 PolarHBondContact O-N 2.67Å; C564-L567 PolarHBondContact O-N 3.43Å; L567-S569 PolarHBondContact O-N 2.82Å; L567-F570 PolarHBondContact O-N 3.41Å; L567-L571 HydrophobicContact CD1-CD1 4.49Å; L567-L571 HydrophobicContact CD1-CG 4.31Å; L567-L571 HydrophobicContact CG-CD1 4.22Å; L567-L571 HydrophobicContact CG-CG 4.47Å; L567-L571 WeakPolarHBondContact O-CG 3.47Å; L567-L571 PolarHBondContact O-N 3.46Å
568	T	98.8	Very high	97.3	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-40.7	174.9	-63.6	0	0	0	0	111.8	A345 R348 L352 C564 S565 Q566 L571 Y572	A345-T568 WeakPolarHBondContact CA-OG1 3.29Å; A345-T568 PolarHBondContact O-OG1 2.94Å; R348-T568 HydrophobicContact CB-CG2 3.76Å; R348-T568 WeakPolarHBondContact CB-OG1 3.42Å; L352-T568 HydrophobicContact CD1-CG2 3.57Å; C564-T568 WeakPolarHBondContact O-CB 3.38Å; C564-T568 PolarHBondContact O-N 3.14Å; C564-T568 PolarHBondContact O-OG1 3.34Å; C564-T568 VanDerWaalsContact O-OG1 3.04Å; S565-T568 PolarHBondContact O-N 2.72Å; Q566-T568 PolarHBondContact O-N 2.73Å; T568-L571 PolarHBondContact O-N 3.41Å; T568-Y572 VanDerWaalsContact O-CB 3.28Å; T568-Y572 WeakPolarHBondContact O-CB 3.49Å; T568-Y572 PolarHBondContact O-N 3.23Å
569	S	98.4	Very high	97.4	Very high	73 Å²	73	47.3 Å²	47.3	51%	0.51	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-42.9	178.6	-58.7	0	0	0	0	112	S565 Q566 L567 Y572 S573	S565-S569 PolarHBondContact O-N 3.45Å; S565-S569 PolarHBondContact O-OG 2.92Å; Q566-S569 WeakPolarHBondContact O-CB 3.2Å; Q566-S569 PolarHBondContact O-N 2.87Å; Q566-S569 VanDerWaalsContact O-N 3.12Å; L567-S569 PolarHBondContact O-N 2.82Å; S569-Y572 PolarHBondContact O-N 3.46Å; S569-S573 WeakPolarHBondContact O-CB 3.4Å; S569-S573 PolarHBondContact O-N 2.78Å
570	F	98.5	Very high	97.3	Very high	45 Å²	45	50.7 Å²	50.7	20%	0.197	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-48	173.8	-65.2	-24.4	0	0	0	111.9	I527 Y551 Q566 L567 Y572 S573 F574	I527-F570 HydrophobicContact CD1-CB 3.96Å; I527-F570 HydrophobicContact CG2-CD2 4.33Å; Y551-F570 HydrophobicContact CD1-CB 4.44Å; Y551-F570 HydrophobicContact CD1-CD1 4.17Å; Y551-F570 HydrophobicContact CD1-CG 4.18Å; Q566-F570 HydrophobicContact CG-CE1 4.29Å; Q566-F570 HydrophobicContact CG-CE2 3.93Å; Q566-F570 HydrophobicContact CG-CZ 3.81Å; Q566-F570 PolarHBondContact O-N 3.4Å; L567-F570 PolarHBondContact O-N 3.41Å; F570-Y572 PolarHBondContact O-N 2.96Å; F570-S573 PolarHBondContact O-N 3.38Å; F570-F574 WeakPolarHBondContact O-CB 3.35Å; F570-F574 PolarHBondContact O-N 2.72Å
571	L	98.7	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-42.6	179.5	-62.7	176.1	0	0	0	111.9	F326 F342 A345 L346 L349 L502 V504 I527 L567 T568 F574 C575	F326-L571 HydrophobicContact CD2-CD2 3.92Å; F326-L571 HydrophobicContact CE2-CB 4.31Å; F326-L571 HydrophobicContact CE2-CD2 3.77Å; F342-L571 HydrophobicContact CD2-CD1 4.5Å; F342-L571 HydrophobicContact CE2-CD1 4.22Å; A345-L571 HydrophobicContact CB-CD1 4.2Å; L346-L571 HydrophobicContact CD2-CD1 4.43Å; L349-L571 HydrophobicContact CD1-CB 4.27Å; L349-L571 HydrophobicContact CD2-CB 3.9Å; L349-L571 HydrophobicContact CD2-CD1 4.3Å; L502-L571 HydrophobicContact CD2-CD2 3.77Å; V504-L571 HydrophobicContact CG2-CD2 3.87Å; I527-L571 HydrophobicContact CD1-CD2 3.76Å; I527-L571 HydrophobicContact CD1-CG 4.4Å; L567-L571 HydrophobicContact CD1-CD1 4.49Å; L567-L571 HydrophobicContact CD1-CG 4.31Å; L567-L571 HydrophobicContact CG-CD1 4.22Å; L567-L571 HydrophobicContact CG-CG 4.47Å; L567-L571 WeakPolarHBondContact O-CG 3.47Å; L567-L571 PolarHBondContact O-N 3.46Å; T568-L571 PolarHBondContact O-N 3.41Å; L571-F574 PolarHBondContact O-N 2.98Å; L571-C575 PolarHBondContact O-N 2.95Å; L571-C575 PolarHBondContact O-SG 3.4Å
572	Y	98.5	Very high	97.2	Very high	50 Å²	50	47.6 Å²	47.6	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-66.5	-45.4	179.2	-176.8	-107.1	0	0	0	111.6	L349 L352 L353 N356 T568 S569 F570 F574 C575 Q576	L349-Y572 HydrophobicContact CD1-CD2 4.08Å; L349-Y572 HydrophobicContact CD1-CG 4.5Å; L352-Y572 HydrophobicContact CB-CD2 3.98Å; L352-Y572 HydrophobicContact CB-CE2 4.08Å; L352-Y572 HydrophobicContact CD1-CD2 4.33Å; L352-Y572 HydrophobicContact CD1-CG 4.28Å; L353-Y572 HydrophobicContact CD2-CD2 4.14Å; L353-Y572 HydrophobicContact CD2-CE2 4.12Å; N356-Y572 PolarHBondContact ND2-OH 3.31Å; N356-Y572 VanDerWaalsContact ND2-OH 3.08Å; T568-Y572 VanDerWaalsContact O-CB 3.28Å; T568-Y572 WeakPolarHBondContact O-CB 3.49Å; T568-Y572 PolarHBondContact O-N 3.23Å; S569-Y572 PolarHBondContact O-N 3.46Å; F570-Y572 PolarHBondContact O-N 2.96Å; Y572-F574 VanDerWaalsContact C-N 3.32Å; Y572-F574 PolarHBondContact O-N 2.71Å; Y572-C575 WeakPolarHBondContact O-CB 3.36Å; Y572-C575 PolarHBondContact O-N 3.1Å; Y572-C575 VanDerWaalsContact O-N 3.14Å; Y572-Q576 HydrophobicContact CE1-CG 4.46Å; Y572-Q576 WeakPolarHBondContact O-CG 3.2Å; Y572-Q576 PolarHBondContact O-N 2.68Å; Y572-Q576 PolarHBondContact OH-NE2 3.09Å
573	S	97.8	Very high	97	Very high	61 Å²	61	46.9 Å²	46.9	43%	0.427	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-41.7	174.9	-179.4	0	0	0	0	112	S569 F570 C575 Q576	S569-S573 WeakPolarHBondContact O-CB 3.4Å; S569-S573 PolarHBondContact O-N 2.78Å; F570-S573 PolarHBondContact O-N 3.38Å; S573-C575 VanDerWaalsContact C-N 3.32Å; S573-C575 PolarHBondContact O-N 3.17Å; S573-Q576 WeakPolarHBondContact O-CB 3.37Å; S573-Q576 PolarHBondContact O-N 2.91Å; S573-Q576 VanDerWaalsContact O-N 3.13Å
574	F	98.1	Very high	96.7	Very high	3 Å²	3	48.2 Å²	48.2	1%	0.013	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-38.4	175.7	-170.2	-87.9	0	0	0	112.2	L324 F326 H501 L502 P525 Y551 F570 L571 Y572 Q576 Q577 R582	L324-F574 HydrophobicContact CD1-CD1 4.06Å; L324-F574 HydrophobicContact CD1-CE1 4.19Å; F326-F574 AromaticContact CE1-CD1 3.67Å; F326-F574 HydrophobicContact CE1-CD1 3.67Å; F326-F574 AromaticContact CE1-CE1 3.82Å; F326-F574 HydrophobicContact CE1-CE1 3.82Å; F326-F574 AromaticContact CZ-CD1 3.82Å; F326-F574 HydrophobicContact CZ-CD1 3.82Å; F326-F574 HydrophobicContact CZ-CE1 4.43Å; H501-F574 HydrophobicContact CB-CE1 4.05Å; H501-F574 HydrophobicContact CB-CZ 4.25Å; H501-F574 WeakPolarHBondContact O-CZ 3.41Å; L502-F574 HydrophobicContact CB-CE1 4.17Å; L502-F574 HydrophobicContact CB-CZ 4.17Å; L502-F574 HydrophobicContact CD1-CD2 4.27Å; L502-F574 HydrophobicContact CD1-CE2 4.19Å; L502-F574 HydrophobicContact CD2-CB 4.47Å; L502-F574 HydrophobicContact CD2-CD1 4.27Å; L502-F574 HydrophobicContact CD2-CD2 4.44Å; L502-F574 HydrophobicContact CD2-CG 4.14Å; P525-F574 HydrophobicContact CB-CE2 4.27Å; P525-F574 HydrophobicContact CG-CE2 4.35Å; Y551-F574 HydrophobicContact CE2-CD2 4.43Å; F570-F574 WeakPolarHBondContact O-CB 3.35Å; F570-F574 PolarHBondContact O-N 2.72Å; L571-F574 PolarHBondContact O-N 2.98Å; Y572-F574 VanDerWaalsContact C-N 3.32Å; Y572-F574 PolarHBondContact O-N 2.71Å; F574-Q576 PolarHBondContact O-N 3.24Å; F574-Q577 WeakPolarHBondContact O-CB 3.29Å; F574-Q577 PolarHBondContact O-N 3.37Å; F574-R582 HydrophobicContact CZ-CG 4.29Å
575	C	97.9	Very high	96.5	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-26.1	175.9	-66.9	0	0	0	0	113.3	L324 L353 Q360 L571 Y572 S573 Q577	L324-C575 HydrophobicContact CD1-CB 4.37Å; L353-C575 HydrophobicContact CD2-CB 4.31Å; Q360-C575 WeakPolarHBondContact CG-O 3.41Å; L571-C575 PolarHBondContact O-N 2.95Å; L571-C575 PolarHBondContact O-SG 3.4Å; Y572-C575 WeakPolarHBondContact O-CB 3.36Å; Y572-C575 PolarHBondContact O-N 3.1Å; Y572-C575 VanDerWaalsContact O-N 3.14Å; S573-C575 VanDerWaalsContact C-N 3.32Å; S573-C575 PolarHBondContact O-N 3.17Å; C575-Q577 VanDerWaalsContact C-N 3.3Å
576	Q	96.4	Very high	96.2	Very high	121 Å²	121	47.2 Å²	47.2	57%	0.565	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.4	178.9	-67	176.2	-33.3	0	0	113.4	Y572 S573 F574	Y572-Q576 HydrophobicContact CE1-CG 4.46Å; Y572-Q576 WeakPolarHBondContact O-CG 3.2Å; Y572-Q576 PolarHBondContact O-N 2.68Å; Y572-Q576 PolarHBondContact OH-NE2 3.09Å; S573-Q576 WeakPolarHBondContact O-CB 3.37Å; S573-Q576 PolarHBondContact O-N 2.91Å; S573-Q576 VanDerWaalsContact O-N 3.13Å; F574-Q576 PolarHBondContact O-N 3.24Å
577	Q	96.3	Very high	95.8	Very high	30 Å²	30	45.8 Å²	45.8	14%	0.14	22%	0.222	C	C	.	.			trans	-66.4	147.4	-179.6	-64.8	-179.1	-6.2	0	0	112.3	F574 C575 Q581 R582	F574-Q577 WeakPolarHBondContact O-CB 3.29Å; F574-Q577 PolarHBondContact O-N 3.37Å; C575-Q577 VanDerWaalsContact C-N 3.3Å; Q577-Q581 HydrophobicContact CB-CB 4.17Å; Q577-R582 HydrophobicContact CB-CG 4.06Å; Q577-R582 PolarHBondContact O-NH1 2.67Å; Q577-R582 VanDerWaalsContact OE1-CG 3.26Å
578	S	96.4	Very high	95.4	Very high	54 Å²	54	47.3 Å²	47.3	38%	0.378	23%	0.228	S	C	.	.			trans	-77.1	167	168.5	75.5	0	0	0	0	111.9	R580 Q581 R582	S578-R580 VanDerWaalsContact C-N 3.28Å; S578-R580 PolarHBondContact O-N 3.25Å; S578-Q581 PolarHBondContact O-N 3.2Å; S578-Q581 WeakPolarHBondContact OG-CG 3.38Å; S578-Q581 PolarHBondContact OG-N 3.42Å; S578-Q581 VanDerWaalsContact OG-N 3.16Å; S578-Q581 PolarHBondContact OG-OE1 3.39Å; S578-R582 PolarHBondContact O-N 2.85Å
579	R	94.4	Very high	95.2	Very high	138 Å²	138	47 Å²	47	52%	0.521	23%	0.226	S	C	.	.	H	α-helix	trans	-58.9	-40.3	173.9	-175.4	179.7	-73.7	-169.4	-4.7	111.4	D321 R582 I583	D321-R579 IonicContact OD1-NH2 2.75Å; D321-R579 PolarHBondContact OD1-NH2 3.33Å; R579-R582 PolarHBondContact O-N 2.86Å; R579-I583 HydrophobicContact CG-CD1 4.2Å; R579-I583 WeakPolarHBondContact O-CG1 3.33Å; R579-I583 PolarHBondContact O-N 3.26Å; R579-I583 VanDerWaalsContact O-N 3.11Å
580	R	92.9	Very high	94.8	Very high	130 Å²	130	44.8 Å²	44.8	49%	0.491	21%	0.208	S	C	.	.	H	α-helix	trans	-64.8	-45.6	178	-175.5	173.8	178.1	177.5	-4.1	111.4	S578 R582 I583 I584 S672	S578-R580 VanDerWaalsContact C-N 3.28Å; S578-R580 PolarHBondContact O-N 3.25Å; R580-R582 VanDerWaalsContact C-N 3.34Å; R580-R582 PolarHBondContact O-N 2.92Å; R580-I583 PolarHBondContact O-N 3.44Å; R580-I584 HydrophobicContact CG-CD1 4.08Å; R580-I584 WeakPolarHBondContact O-CG1 3.45Å; R580-I584 PolarHBondContact O-N 3.17Å; R580-S672 PolarHBondContact NH1-OG 2.93Å; R580-S672 VanDerWaalsContact NH1-OG 3.16Å; R580-S672 PolarHBondContact NH2-OG 3.24Å
581	Q	94.2	Very high	94.2	Very high	106 Å²	106	43.3 Å²	43.3	50%	0.495	20%	0.201	S	C	.	.	H	α-helix	trans	-60.4	-41.9	176.9	-75.7	168.3	-33.3	0	0	112.1	Q577 S578 I583 I584 Q585	Q577-Q581 HydrophobicContact CB-CB 4.17Å; S578-Q581 PolarHBondContact O-N 3.2Å; S578-Q581 WeakPolarHBondContact OG-CG 3.38Å; S578-Q581 PolarHBondContact OG-N 3.42Å; S578-Q581 VanDerWaalsContact OG-N 3.16Å; S578-Q581 PolarHBondContact OG-OE1 3.39Å; Q581-I583 PolarHBondContact O-N 3.01Å; Q581-I584 PolarHBondContact O-N 2.79Å; Q581-Q585 WeakPolarHBondContact O-CB 3.5Å; Q581-Q585 PolarHBondContact O-N 3.35Å
582	R	95.6	Very high	93.7	Very high	15 Å²	15	43.3 Å²	43.3	6%	0.057	20%	0.201	C	C	.	.	H	α-helix	trans	-63.2	-40.1	175.3	-76.1	-169.3	-64.5	-82.2	0.2	113.3	F574 Q577 S578 R579 R580 Q585 R586	F574-R582 HydrophobicContact CZ-CG 4.29Å; Q577-R582 HydrophobicContact CB-CG 4.06Å; Q577-R582 PolarHBondContact O-NH1 2.67Å; Q577-R582 VanDerWaalsContact OE1-CG 3.26Å; S578-R582 PolarHBondContact O-N 2.85Å; R579-R582 PolarHBondContact O-N 2.86Å; R580-R582 VanDerWaalsContact C-N 3.34Å; R580-R582 PolarHBondContact O-N 2.92Å; R582-Q585 PolarHBondContact O-N 3.01Å; R582-R586 WeakPolarHBondContact O-CG 3.22Å; R582-R586 PolarHBondContact O-N 3.4Å
583	I	92.9	Very high	93.2	Very high	63 Å²	63	41.1 Å²	41.1	32%	0.323	19%	0.193	S	C	.	.	H	α-helix	trans	-62	-49.1	176.4	-69.2	161.1	0	0	0	110	Q294 R579 R580 Q581 Q585 R586 N587	Q294-I583 PolarHBondContact NE2-O 2.94Å; R579-I583 HydrophobicContact CG-CD1 4.2Å; R579-I583 WeakPolarHBondContact O-CG1 3.33Å; R579-I583 PolarHBondContact O-N 3.26Å; R579-I583 VanDerWaalsContact O-N 3.11Å; R580-I583 PolarHBondContact O-N 3.44Å; Q581-I583 PolarHBondContact O-N 3.01Å; I583-Q585 VanDerWaalsContact C-N 3.33Å; I583-Q585 PolarHBondContact O-N 2.88Å; I583-R586 VanDerWaalsContact CG1-NH2 3.26Å; I583-R586 PolarHBondContact O-N 3.13Å; I583-N587 PolarHBondContact O-N 3.17Å; I583-N587 PolarHBondContact O-OD1 2.77Å
584	I	91.1	Very high	92.6	Very high	29 Å²	29	39 Å²	39	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-45.1	178	-66.8	167.1	0	0	0	110.7	R580 Q581 R586 N587 R588 Y675	R580-I584 HydrophobicContact CG-CD1 4.08Å; R580-I584 WeakPolarHBondContact O-CG1 3.45Å; R580-I584 PolarHBondContact O-N 3.17Å; Q581-I584 PolarHBondContact O-N 2.79Å; I584-R586 PolarHBondContact O-N 3.2Å; I584-N587 PolarHBondContact O-N 3.09Å; I584-R588 WeakPolarHBondContact O-CG 3.43Å; I584-R588 PolarHBondContact O-N 2.63Å; I584-Y675 HydrophobicContact CD1-CD2 4.49Å; I584-Y675 HydrophobicContact CG1-CD1 4.3Å; I584-Y675 HydrophobicContact CG1-CE1 4.12Å; I584-Y675 HydrophobicContact CG1-CE2 4.4Å; I584-Y675 HydrophobicContact CG2-CE2 4.12Å
585	Q	93.3	Very high	92.1	Very high	14 Å²	14	38.9 Å²	38.9	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-43.3	178.7	-170.6	174.2	52.6	0	0	111.8	P525 Y551 Q581 R582 I583 N587 R588 T589	P525-Q585 HydrophobicContact CG-CG 4.08Å; Y551-Q585 PolarHBondContact OH-NE2 3.19Å; Q581-Q585 WeakPolarHBondContact O-CB 3.5Å; Q581-Q585 PolarHBondContact O-N 3.35Å; R582-Q585 PolarHBondContact O-N 3.01Å; I583-Q585 VanDerWaalsContact C-N 3.33Å; I583-Q585 PolarHBondContact O-N 2.88Å; Q585-N587 PolarHBondContact O-N 3.18Å; Q585-R588 PolarHBondContact O-N 3.48Å; Q585-T589 PolarHBondContact O-N 2.79Å; Q585-T589 PolarHBondContact O-OG1 2.9Å
586	R	93.9	Very high	91.8	Very high	16 Å²	16	38.8 Å²	38.8	6%	0.06	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-42.6	175.1	-76.6	-161.3	-61.3	-90.2	1.1	112.9	F293 Q294 H297 G523 P525 R582 I583 I584 R588 T589 E590	F293-R586 HydrophobicContact CE2-CB 4.24Å; Q294-R586 VanDerWaalsContact OE1-CZ 3.28Å; H297-R586 PolarHBondContact NE2-NH1 3.29Å; G523-R586 WeakPolarHBondContact O-CA 3.34Å; G523-R586 VanDerWaalsContact O-CB 3.22Å; G523-R586 WeakPolarHBondContact O-CB 3.42Å; G523-R586 WeakPolarHBondContact O-CG 2.93Å; P525-R586 HydrophobicContact CG-CG 4.44Å; R582-R586 WeakPolarHBondContact O-CG 3.22Å; R582-R586 PolarHBondContact O-N 3.4Å; I583-R586 VanDerWaalsContact CG1-NH2 3.26Å; I583-R586 PolarHBondContact O-N 3.13Å; I584-R586 PolarHBondContact O-N 3.2Å; R586-R588 VanDerWaalsContact C-N 3.32Å; R586-R588 PolarHBondContact O-N 3.37Å; R586-T589 PolarHBondContact O-N 3.1Å; R586-E590 PolarHBondContact O-N 2.63Å
587	N	90.1	Very high	91.5	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.032	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-45.7	174.6	-72.4	2.1	0	0	0	111.2	F293 Q294 I583 I584 Q585 E590 R591 E677	F293-N587 VanDerWaalsContact CZ-OD1 3.28Å; F293-N587 WeakPolarHBondContact CZ-OD1 3.43Å; Q294-N587 PolarHBondContact NE2-OD1 2.96Å; I583-N587 PolarHBondContact O-N 3.17Å; I583-N587 PolarHBondContact O-OD1 2.77Å; I584-N587 PolarHBondContact O-N 3.09Å; Q585-N587 PolarHBondContact O-N 3.18Å; N587-E590 PolarHBondContact O-N 2.61Å; N587-R591 WeakPolarHBondContact O-CG 3.44Å; N587-R591 PolarHBondContact O-N 3.36Å; N587-E677 WeakPolarHBondContact CB-OE1 3.32Å; N587-E677 PolarHBondContact ND2-OE1 3.47Å; N587-E677 PolarHBondContact ND2-OE2 3.06Å; N587-E677 VanDerWaalsContact ND2-OE2 3.08Å
588	R	90.3	Very high	91.2	Very high	32 Å²	32	32.5 Å²	32.5	12%	0.121	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-43.4	175.7	-66.7	177.8	-172.3	162.5	4.6	111.9	A547 Y548 I584 Q585 R586 E590 R591 S641 E680	A547-R588 VanDerWaalsContact O-CD 3.27Å; A547-R588 WeakPolarHBondContact O-CD 3.46Å; A547-R588 PolarHBondContact O-NH1 2.81Å; A547-R588 VanDerWaalsContact O-NH1 3.11Å; Y548-R588 HydrophobicContact CD1-CB 3.79Å; Y548-R588 WeakPolarHBondContact CD1-O 3.43Å; Y548-R588 HydrophobicContact CE1-CB 4.31Å; I584-R588 WeakPolarHBondContact O-CG 3.43Å; I584-R588 PolarHBondContact O-N 2.63Å; Q585-R588 PolarHBondContact O-N 3.48Å; R586-R588 VanDerWaalsContact C-N 3.32Å; R586-R588 PolarHBondContact O-N 3.37Å; R588-E590 VanDerWaalsContact C-N 3.31Å; R588-E590 PolarHBondContact O-N 2.74Å; R588-R591 WeakPolarHBondContact O-CB 3.18Å; R588-R591 PolarHBondContact O-N 3.37Å; R588-S641 PolarHBondContact NH2-OG 3.04Å; R588-E680 IonicContact NE-OE1 3.73Å
589	T	92.9	Very high	90.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-44.4	177.5	-54.8	0	0	0	0	111.6	T520 Y548 I550 Q585 R586 R591 L592	T520-T589 HydrophobicContact CG2-CG2 4.1Å; Y548-T589 VanDerWaalsContact O-CA 3.25Å; Y548-T589 WeakPolarHBondContact O-CA 3.32Å; Y548-T589 WeakPolarHBondContact O-CB 3.45Å; Y548-T589 PolarHBondContact O-N 2.87Å; Y548-T589 PolarHBondContact O-OG1 2.86Å; I550-T589 HydrophobicContact CD1-CG2 4.33Å; Q585-T589 PolarHBondContact O-N 2.79Å; Q585-T589 PolarHBondContact O-OG1 2.9Å; R586-T589 PolarHBondContact O-N 3.1Å; T589-R591 VanDerWaalsContact C-N 3.29Å; T589-R591 PolarHBondContact O-N 3.03Å; T589-L592 WeakPolarHBondContact O-CB 3.43Å; T589-L592 PolarHBondContact O-N 3.27Å; T589-L592 VanDerWaalsContact O-N 3.12Å
590	E	89.8	Confident	90.2	Very high	26 Å²	26	30.5 Å²	30.5	12%	0.121	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-35.6	-179.6	-168.9	-81.1	162.7	0	0	112.4	F293 R586 N587 R588 L592 S593	F293-E590 HydrophobicContact CD1-CG 4.02Å; F293-E590 HydrophobicContact CE1-CB 4.13Å; F293-E590 HydrophobicContact CE1-CG 3.96Å; F293-E590 HydrophobicContact CE2-CB 4.23Å; F293-E590 HydrophobicContact CE2-CG 4.49Å; F293-E590 HydrophobicContact CG-CG 4.36Å; F293-E590 HydrophobicContact CZ-CB 3.91Å; F293-E590 HydrophobicContact CZ-CG 4.2Å; R586-E590 PolarHBondContact O-N 2.63Å; N587-E590 PolarHBondContact O-N 2.61Å; R588-E590 VanDerWaalsContact C-N 3.31Å; R588-E590 PolarHBondContact O-N 2.74Å; E590-L592 PolarHBondContact O-N 2.82Å; E590-L592 VanDerWaalsContact O-N 3.13Å; E590-S593 WeakPolarHBondContact O-CB 3.33Å; E590-S593 PolarHBondContact O-N 3.36Å; E590-S593 PolarHBondContact O-OG 3.43Å
591	R	86.6	Confident	90.1	Very high	14 Å²	14	24.3 Å²	24.3	5%	0.053	11%	0.111	C	C	.	.	H	α-helix	trans	-60.5	-24	176	-65.5	174.2	-160.1	164.4	7.1	113.9	N587 R588 T589 S593 Y675 E680 D684	N587-R591 WeakPolarHBondContact O-CG 3.44Å; N587-R591 PolarHBondContact O-N 3.36Å; R588-R591 WeakPolarHBondContact O-CB 3.18Å; R588-R591 PolarHBondContact O-N 3.37Å; T589-R591 VanDerWaalsContact C-N 3.29Å; T589-R591 PolarHBondContact O-N 3.03Å; R591-S593 PolarHBondContact O-N 3.3Å; R591-Y675 PolarHBondContact NH2-OH 2.92Å; R591-E680 IonicContact CZ-OE2 3.13Å; R591-E680 VanDerWaalsContact NH1-CD 3.26Å; R591-E680 IonicContact NH1-OE1 3.96Å; R591-E680 IonicContact NH1-OE2 3.73Å; R591-E680 PolarHBondContact NH1-OE2 3.37Å; R591-E680 IonicContact NH2-OE2 3.55Å; R591-E680 PolarHBondContact NH2-OE2 3.34Å; R591-D684 IonicContact NH1-OD2 2.92Å; R591-D684 PolarHBondContact NH1-OD2 2.93Å
592	L	89.2	Confident	89.8	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-76.8	-10.9	177.1	-61.2	-179.2	0	0	0	112.8	T520 M538 I542 Y548 I550 T589 E590 D594 L595 Y636	T520-L592 HydrophobicContact CG2-CB 3.8Å; M538-L592 HydrophobicContact CE-CB 4.28Å; M538-L592 HydrophobicContact CE-CD1 3.74Å; I542-L592 HydrophobicContact CD1-CD1 3.62Å; I542-L592 HydrophobicContact CD1-CD2 3.87Å; I542-L592 HydrophobicContact CD1-CG 4.35Å; I542-L592 HydrophobicContact CG1-CD2 4.45Å; Y548-L592 VanDerWaalsContact CB-CD1 3.45Å; Y548-L592 HydrophobicContact CD1-CD1 4.23Å; Y548-L592 HydrophobicContact CD1-CD2 3.83Å; Y548-L592 HydrophobicContact CD1-CG 3.92Å; Y548-L592 HydrophobicContact CE1-CD2 4.29Å; Y548-L592 HydrophobicContact CG-CD1 3.98Å; Y548-L592 HydrophobicContact CG-CD2 4.06Å; Y548-L592 HydrophobicContact CG-CG 4.16Å; I550-L592 HydrophobicContact CD1-CD1 4.35Å; I550-L592 HydrophobicContact CG1-CD1 3.67Å; T589-L592 WeakPolarHBondContact O-CB 3.43Å; T589-L592 PolarHBondContact O-N 3.27Å; T589-L592 VanDerWaalsContact O-N 3.12Å; E590-L592 PolarHBondContact O-N 2.82Å; E590-L592 VanDerWaalsContact O-N 3.13Å; L592-D594 PolarHBondContact O-N 3.35Å; L592-L595 HydrophobicContact CD2-CD1 4.03Å; L592-L595 WeakPolarHBondContact O-CB 3.25Å; L592-L595 PolarHBondContact O-N 3.49Å; L592-Y636 HydrophobicContact CD2-CD1 4.1Å; L592-Y636 HydrophobicContact CD2-CD2 4Å; L592-Y636 HydrophobicContact CD2-CE1 4.27Å; L592-Y636 HydrophobicContact CD2-CE2 4.17Å; L592-Y636 HydrophobicContact CD2-CG 3.99Å
593	S	87.3	Confident	89.3	Confident	3 Å²	3	21.8 Å²	21.8	2%	0.021	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-55.5	-36.2	-179.5	62.9	0	0	0	0	112.7	E590 R591 L595 L596 D597	E590-S593 WeakPolarHBondContact O-CB 3.33Å; E590-S593 PolarHBondContact O-N 3.36Å; E590-S593 PolarHBondContact O-OG 3.43Å; R591-S593 PolarHBondContact O-N 3.3Å; S593-L595 PolarHBondContact O-N 3.17Å; S593-L596 PolarHBondContact O-N 2.91Å; S593-D597 PolarHBondContact O-N 2.87Å
594	D	84.4	Confident	89.1	Confident	17 Å²	17	21.8 Å²	21.8	9%	0.091	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-60.7	-28	177.8	-83.2	-3.2	0	0	0	113.3	S11 L12 K286 L592 L596	S11-D594 VanDerWaalsContact CB-OD2 3.3Å; S11-D594 WeakPolarHBondContact CB-OD2 3.44Å; S11-D594 PolarHBondContact N-OD2 3.03Å; S11-D594 PolarHBondContact OG-OD2 3.27Å; L12-D594 HydrophobicContact CD1-CB 4.48Å; L12-D594 HydrophobicContact CG-CB 4.49Å; K286-D594 WeakPolarHBondContact CE-OD1 3.23Å; K286-D594 IonicContact NZ-OD1 2.82Å; K286-D594 PolarHBondContact NZ-OD1 2.91Å; K286-D594 IonicContact NZ-OD2 3.28Å; K286-D594 PolarHBondContact NZ-OD2 3.11Å; L592-D594 PolarHBondContact O-N 3.35Å; D594-L596 PolarHBondContact O-N 3.28Å
595	L	87.7	Confident	89.2	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-71.7	-22	175.3	-60.8	179.2	0	0	0	113	L12 I542 L592 S593 Y600 Y634 Y636	L12-L595 HydrophobicContact CD1-CD2 4.08Å; I542-L595 HydrophobicContact CD1-CD1 4.32Å; I542-L595 HydrophobicContact CG1-CD1 4.18Å; L592-L595 HydrophobicContact CD2-CD1 4.03Å; L592-L595 WeakPolarHBondContact O-CB 3.25Å; L592-L595 PolarHBondContact O-N 3.49Å; S593-L595 PolarHBondContact O-N 3.17Å; L595-Y600 WeakPolarHBondContact O-CD1 3.44Å; L595-Y634 HydrophobicContact CD2-CD1 4.32Å; L595-Y634 HydrophobicContact CD2-CE1 3.39Å; L595-Y636 HydrophobicContact CD1-CD2 3.87Å; L595-Y636 HydrophobicContact CD1-CG 4.44Å; L595-Y636 HydrophobicContact CD2-CD2 4.25Å; L595-Y636 HydrophobicContact CG-CD2 4.23Å
596	L	91.1	Very high	89.1	Confident	1 Å²	1	22.5 Å²	22.5	1%	0.005	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-100.6	-0.7	-177	-57.4	173.2	0	0	0	111.9	G281 L282 A517 T520 V521 F534 F537 M538 S593 D594	G281-L596 CarbonylContact C-O 3.54Å; G281-L596 WeakPolarHBondContact CA-O 3.31Å; L282-L596 PolarHBondContact N-O 2.75Å; A517-L596 HydrophobicContact CB-CD1 4.18Å; T520-L596 HydrophobicContact CG2-CD1 3.81Å; V521-L596 HydrophobicContact CG2-CD1 4.44Å; F534-L596 HydrophobicContact CD2-CD2 4.39Å; F534-L596 HydrophobicContact CE2-CD1 3.95Å; F534-L596 HydrophobicContact CE2-CD2 4.14Å; F537-L596 HydrophobicContact CD1-CD2 4.16Å; F537-L596 HydrophobicContact CE1-CD2 3.87Å; M538-L596 HydrophobicContact SD-CD2 4.21Å; S593-L596 PolarHBondContact O-N 2.91Å; D594-L596 PolarHBondContact O-N 3.28Å
597	D	90.5	Very high	88.8	Confident	17 Å²	17	24 Å²	24	9%	0.091	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-76.7	142.6	179.9	-168.2	-85.7	0	0	0	111.8	L282 V284 S593 K599 Y600 L601	L282-D597 WeakPolarHBondContact O-CA 3.11Å; V284-D597 HydrophobicContact CB-CB 4.32Å; V284-D597 VanDerWaalsContact CB-OD2 3.24Å; V284-D597 WeakPolarHBondContact CB-OD2 3.46Å; V284-D597 HydrophobicContact CG2-CB 3.86Å; V284-D597 WeakPolarHBondContact CG2-OD2 3.29Å; V284-D597 PolarHBondContact N-OD2 3.2Å; S593-D597 PolarHBondContact O-N 2.87Å; D597-K599 PolarHBondContact O-N 2.89Å; D597-K599 VanDerWaalsContact O-N 3.17Å; D597-K599 WeakPolarHBondContact OD1-CB 3.21Å; D597-K599 WeakPolarHBondContact OD1-CG 3Å; D597-K599 PolarHBondContact OD1-N 2.66Å; D597-Y600 PolarHBondContact O-N 3.38Å; D597-L601 PolarHBondContact O-N 2.99Å
598	W	90.2	Very high	89	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.008	11%	0.109	C	C	.	.	H	α-helix	trans	-59.5	-22.8	176.6	-84.1	122.6	0	0	0	114.3	V46 T49 K50 V53 G281 L282 Y600 L601 G602 Y605	V46-W598 HydrophobicContact CG1-CH2 4.03Å; V46-W598 HydrophobicContact CG1-CZ2 3.94Å; T49-W598 PolarHBondContact OG1-NE1 3.25Å; K50-W598 HydrophobicContact CB-CD2 3.95Å; K50-W598 HydrophobicContact CB-CE3 4.33Å; K50-W598 HydrophobicContact CB-CG 4.5Å; K50-W598 HydrophobicContact CB-CH2 4.18Å; K50-W598 HydrophobicContact CB-CZ2 3.77Å; K50-W598 HydrophobicContact CB-CZ3 4.44Å; K50-W598 HydrophobicContact CD-CE3 4.2Å; K50-W598 HydrophobicContact CD-CH2 3.84Å; K50-W598 HydrophobicContact CD-CZ2 4.31Å; K50-W598 HydrophobicContact CD-CZ3 3.78Å; K50-W598 HydrophobicContact CG-CD2 3.96Å; K50-W598 HydrophobicContact CG-CE3 3.87Å; K50-W598 HydrophobicContact CG-CH2 4.12Å; K50-W598 HydrophobicContact CG-CZ2 4.2Å; K50-W598 HydrophobicContact CG-CZ3 3.96Å; V53-W598 HydrophobicContact CB-CB 4.28Å; V53-W598 HydrophobicContact CG1-CB 3.84Å; V53-W598 HydrophobicContact CG1-CG 4.35Å; G281-W598 VanDerWaalsContact O-CE2 3.26Å; G281-W598 WeakPolarHBondContact O-CZ2 3.46Å; G281-W598 PolarHBondContact O-NE1 3.45Å; L282-W598 PolarHBondContact O-N 3.2Å; L282-W598 VanDerWaalsContact O-N 3.15Å; W598-Y600 PolarHBondContact O-N 3.22Å; W598-L601 HydrophobicContact CE3-CB 4.2Å; W598-L601 HydrophobicContact CZ3-CB 4.41Å; W598-G602 VanDerWaalsContact O-CA 3.26Å; W598-G602 WeakPolarHBondContact O-CA 2.91Å; W598-G602 PolarHBondContact O-N 3.16Å; W598-Y605 AromaticContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CZ3-CD2 4.03Å; W598-Y605 AromaticContact CZ3-CE2 3.75Å; W598-Y605 HydrophobicContact CZ3-CE2 3.75Å
599	K	86.9	Confident	89.1	Confident	122 Å²	122	22.2 Å²	22.2	53%	0.53	10%	0.104	S	C	.	.	H	α-helix	trans	-60.7	-32.8	171	-70.2	174	179.3	179.2	0	112.6	S8 D597	S8-K599 PolarHBondContact OG-NZ 2.68Å; S8-K599 VanDerWaalsContact OG-NZ 3.15Å; D597-K599 PolarHBondContact O-N 2.89Å; D597-K599 VanDerWaalsContact O-N 3.17Å; D597-K599 WeakPolarHBondContact OD1-CB 3.21Å; D597-K599 WeakPolarHBondContact OD1-CG 3Å; D597-K599 PolarHBondContact OD1-N 2.66Å
600	Y	84.3	Confident	89	Confident	27 Å²	27	24.8 Å²	24.8	11%	0.106	12%	0.116	C	C	.	.	H	α-helix	trans	-89.2	-52.3	174.8	-177.7	-107.7	0	0	0	110.8	L15 F537 L595 D597 W598 G602 R603	L15-Y600 HydrophobicContact CD1-CD2 4.28Å; F537-Y600 HydrophobicContact CZ-CE1 4.48Å; L595-Y600 WeakPolarHBondContact O-CD1 3.44Å; D597-Y600 PolarHBondContact O-N 3.38Å; W598-Y600 PolarHBondContact O-N 3.22Å; Y600-G602 VanDerWaalsContact C-N 3.33Å; Y600-G602 PolarHBondContact O-N 2.91Å; Y600-R603 WeakPolarHBondContact O-CB 3.42Å; Y600-R603 WeakPolarHBondContact O-CD 3.49Å; Y600-R603 VanDerWaalsContact O-CG 3.26Å; Y600-R603 WeakPolarHBondContact O-CG 3.29Å; Y600-R603 PolarHBondContact O-N 2.54Å
601	L	89.1	Confident	89.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-75.1	-19.1	-172.8	-64.2	-179.1	0	0	0	114.2	P279 F537 D597 W598 R603 Y604	P279-L601 HydrophobicContact CB-CD1 4.3Å; P279-L601 HydrophobicContact CB-CD2 4.05Å; P279-L601 HydrophobicContact CG-CD2 4.29Å; F537-L601 HydrophobicContact CE2-CD2 3.86Å; F537-L601 HydrophobicContact CZ-CD2 3.75Å; D597-L601 PolarHBondContact O-N 2.99Å; W598-L601 HydrophobicContact CE3-CB 4.2Å; W598-L601 HydrophobicContact CZ3-CB 4.41Å; L601-R603 PolarHBondContact O-N 3.12Å; L601-Y604 HydrophobicContact CD2-CD2 4.17Å; L601-Y604 HydrophobicContact CD2-CE2 3.82Å; L601-Y604 WeakPolarHBondContact O-CD2 3.23Å; L601-Y604 PolarHBondContact O-N 3.27Å
602	G	88.2	Confident	89.6	Confident	5 Å²	5	23.7 Å²	23.7	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-24.6	173.9	0	0	0	0	0	113.2	W598 Y600 Y604 Y605 M606	W598-G602 VanDerWaalsContact O-CA 3.26Å; W598-G602 WeakPolarHBondContact O-CA 2.91Å; W598-G602 PolarHBondContact O-N 3.16Å; Y600-G602 VanDerWaalsContact C-N 3.33Å; Y600-G602 PolarHBondContact O-N 2.91Å; G602-Y604 PolarHBondContact O-N 2.94Å; G602-Y605 WeakPolarHBondContact O-CA 3.43Å; G602-Y605 WeakPolarHBondContact O-CB 3.33Å; G602-Y605 PolarHBondContact O-N 2.88Å; G602-M606 PolarHBondContact O-N 3.46Å; G602-M606 VanDerWaalsContact O-N 3.07Å
603	R	85.4	Confident	89.8	Confident	63 Å²	63	23.7 Å²	23.7	24%	0.238	11%	0.112	C	C	.	.	H	α-helix	trans	-61.2	-31.2	178.9	-61.8	171.6	179.7	-160.2	-17.1	113.4	L15 Y600 L601 Y605 M606 S607	L15-R603 VanDerWaalsContact CG-NH2 3.33Å; Y600-R603 WeakPolarHBondContact O-CB 3.42Å; Y600-R603 WeakPolarHBondContact O-CD 3.49Å; Y600-R603 VanDerWaalsContact O-CG 3.26Å; Y600-R603 WeakPolarHBondContact O-CG 3.29Å; Y600-R603 PolarHBondContact O-N 2.54Å; L601-R603 PolarHBondContact O-N 3.12Å; R603-Y605 VanDerWaalsContact C-N 3.32Å; R603-M606 PolarHBondContact O-N 3.38Å; R603-S607 WeakPolarHBondContact O-CB 3.41Å; R603-S607 PolarHBondContact O-N 3.47Å; R603-S607 PolarHBondContact O-OG 2.98Å
604	Y	89.2	Confident	90.1	Very high	63 Å²	63	24.2 Å²	24.2	25%	0.247	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-35.4	175.1	-65.9	-83.7	0	0	0	111.5	V277 P279 H541 L601 G602 A608	V277-Y604 VanDerWaalsContact O-CD1 3.24Å; V277-Y604 WeakPolarHBondContact O-CD1 3.49Å; P279-Y604 HydrophobicContact CG-CD2 4.31Å; P279-Y604 HydrophobicContact CG-CE2 4.28Å; H541-Y604 PolarHBondContact NE2-OH 3.44Å; L601-Y604 HydrophobicContact CD2-CD2 4.17Å; L601-Y604 HydrophobicContact CD2-CE2 3.82Å; L601-Y604 WeakPolarHBondContact O-CD2 3.23Å; L601-Y604 PolarHBondContact O-N 3.27Å; G602-Y604 PolarHBondContact O-N 2.94Å; Y604-A608 PolarHBondContact O-N 3.44Å; Y604-A608 VanDerWaalsContact O-N 3.07Å
605	Y	93.4	Very high	90.5	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	13%	0.13	C	C	.	.	H	α-helix	trans	-69	-43.5	173	-81.8	-101.8	0	0	0	111.5	K50 H178 H180 T278 W598 G602 R603 S607 A608 R609	K50-Y605 HydrophobicContact CD-CD1 3.99Å; K50-Y605 HydrophobicContact CD-CD2 4.01Å; K50-Y605 HydrophobicContact CD-CE1 3.89Å; K50-Y605 HydrophobicContact CD-CE2 3.92Å; K50-Y605 HydrophobicContact CD-CG 4.06Å; H178-Y605 AromaticContact CE1-CD1 3.52Å; H178-Y605 AromaticContact CE1-CE1 3.58Å; H180-Y605 AromaticContact CE1-CE1 3.88Å; T278-Y605 HydrophobicContact CG2-CD2 4.24Å; T278-Y605 HydrophobicContact CG2-CE2 4.32Å; W598-Y605 AromaticContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CH2-CE2 3.93Å; W598-Y605 HydrophobicContact CZ3-CD2 4.03Å; W598-Y605 AromaticContact CZ3-CE2 3.75Å; W598-Y605 HydrophobicContact CZ3-CE2 3.75Å; G602-Y605 WeakPolarHBondContact O-CA 3.43Å; G602-Y605 WeakPolarHBondContact O-CB 3.33Å; G602-Y605 PolarHBondContact O-N 2.88Å; R603-Y605 VanDerWaalsContact C-N 3.32Å; Y605-S607 VanDerWaalsContact C-N 3.31Å; Y605-S607 PolarHBondContact O-N 3.36Å; Y605-A608 PolarHBondContact O-N 2.89Å; Y605-R609 VanDerWaalsContact O-CG 3.27Å; Y605-R609 WeakPolarHBondContact O-CG 3.3Å; Y605-R609 PolarHBondContact O-N 3.04Å
606	M	90	Very high	90.9	Very high	58 Å²	58	29 Å²	29	29%	0.286	14%	0.141	S	C	.	.	H	α-helix	trans	-55.5	-48.4	174.5	-60.5	172.9	70.7	0	0	110.9	E57 G602 R603 A608 R609 H610	E57-M606 WeakPolarHBondContact OE1-CG 3.44Å; G602-M606 PolarHBondContact O-N 3.46Å; G602-M606 VanDerWaalsContact O-N 3.07Å; R603-M606 PolarHBondContact O-N 3.38Å; M606-A608 VanDerWaalsContact C-N 3.34Å; M606-A608 PolarHBondContact O-N 3.5Å; M606-R609 PolarHBondContact O-N 3.06Å; M606-R609 VanDerWaalsContact O-N 3.16Å; M606-H610 PolarHBondContact O-N 3.27Å
607	S	89.1	Confident	91	Very high	46 Å²	46	30.3 Å²	30.3	32%	0.322	15%	0.147	S	C	.	.	H	α-helix	trans	-59.6	-42.2	177.9	-59.9	0	0	0	0	112.5	R603 Y605 M611	R603-S607 WeakPolarHBondContact O-CB 3.41Å; R603-S607 PolarHBondContact O-N 3.47Å; R603-S607 PolarHBondContact O-OG 2.98Å; Y605-S607 VanDerWaalsContact C-N 3.31Å; Y605-S607 PolarHBondContact O-N 3.36Å; S607-M611 WeakPolarHBondContact O-CB 3.37Å; S607-M611 PolarHBondContact O-N 3.02Å
608	A	93	Very high	91	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-38.9	176.6	0	0	0	0	0	112.5	V254 T256 I276 Y604 Y605 M606 A612	V254-A608 HydrophobicContact CG1-CB 4.28Å; T256-A608 HydrophobicContact CG2-CB 4.03Å; I276-A608 HydrophobicContact CD1-CB 4.16Å; Y604-A608 PolarHBondContact O-N 3.44Å; Y604-A608 VanDerWaalsContact O-N 3.07Å; Y605-A608 PolarHBondContact O-N 2.89Å; M606-A608 VanDerWaalsContact C-N 3.34Å; M606-A608 PolarHBondContact O-N 3.5Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 3.2Å
609	R	93.7	Very high	91	Very high	1 Å²	1	40.5 Å²	40.5	0%	0.004	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-45.8	177.1	-65.6	166.8	-167.9	158.4	-4.2	112	E31 T54 E57 W58 V176 I201 Y605 M606 M611 A612 L613	E31-R609 IonicContact OE1-NH2 3.17Å; T54-R609 VanDerWaalsContact CG2-NH2 3.32Å; T54-R609 PolarHBondContact OG1-NH2 3.41Å; E57-R609 VanDerWaalsContact CD-NH1 3.34Å; E57-R609 IonicContact OE1-NH1 3.85Å; E57-R609 PolarHBondContact OE1-NH1 3.44Å; E57-R609 VanDerWaalsContact OE1-NH1 3.14Å; E57-R609 IonicContact OE2-NH1 3.45Å; E57-R609 PolarHBondContact OE2-NH1 3.16Å; W58-R609 HydrophobicContact CZ2-CB 4.49Å; V176-R609 HydrophobicContact CG1-CG 4.42Å; I201-R609 HydrophobicContact CD1-CB 4.32Å; I201-R609 HydrophobicContact CD1-CG 3.8Å; Y605-R609 VanDerWaalsContact O-CG 3.27Å; Y605-R609 WeakPolarHBondContact O-CG 3.3Å; Y605-R609 PolarHBondContact O-N 3.04Å; M606-R609 PolarHBondContact O-N 3.06Å; M606-R609 VanDerWaalsContact O-N 3.16Å; R609-M611 PolarHBondContact O-N 3.36Å; R609-A612 PolarHBondContact O-N 2.89Å; R609-L613 PolarHBondContact O-N 2.95Å
610	H	90.3	Very high	91	Very high	55 Å²	55	40.7 Å²	40.7	26%	0.255	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-44.6	175.4	-70.3	-179.4	0	0	0	111.9	F22 M606 A612 L613 A614	F22-H610 WeakPolarHBondContact CB-NE2 3.46Å; F22-H610 AromaticContact CD1-NE2 3.72Å; F22-H610 AromaticContact CD2-CD2 3.75Å; F22-H610 AromaticContact CD2-CE1 3.97Å; F22-H610 AromaticContact CD2-NE2 3.26Å; F22-H610 VanDerWaalsContact CD2-NE2 3.26Å; F22-H610 WeakPolarHBondContact CD2-NE2 3.45Å; F22-H610 AromaticContact CE2-CD2 3.96Å; F22-H610 AromaticContact CE2-NE2 3.91Å; F22-H610 AromaticContact CG-CE1 3.9Å; F22-H610 AromaticContact CG-NE2 3.14Å; F22-H610 WeakPolarHBondContact CG-NE2 3.26Å; M606-H610 PolarHBondContact O-N 3.27Å; H610-A612 VanDerWaalsContact C-N 3.27Å; H610-A612 PolarHBondContact O-N 3.41Å; H610-L613 PolarHBondContact O-N 3.19Å; H610-A614 WeakPolarHBondContact O-CB 3.43Å; H610-A614 PolarHBondContact O-N 3.29Å
611	M	92.3	Very high	91.1	Very high	17 Å²	17	41.4 Å²	41.4	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-38.6	175.8	-175.1	-168.4	-74.5	0	0	111.5	V254 D275 I276 S607 R609 K615 Y623	V254-M611 HydrophobicContact CG1-SD 4.05Å; V254-M611 HydrophobicContact CG2-CB 3.93Å; V254-M611 HydrophobicContact CG2-CG 3.7Å; V254-M611 HydrophobicContact CG2-SD 3.74Å; D275-M611 HydrophobicContact CB-CE 4.42Å; D275-M611 HydrophobicContact CB-SD 3.77Å; I276-M611 HydrophobicContact CD1-CE 3.71Å; I276-M611 HydrophobicContact CD1-SD 4.39Å; I276-M611 HydrophobicContact CG1-CE 3.8Å; I276-M611 HydrophobicContact CG1-SD 4.48Å; S607-M611 WeakPolarHBondContact O-CB 3.37Å; S607-M611 PolarHBondContact O-N 3.02Å; R609-M611 PolarHBondContact O-N 3.36Å; M611-K615 HydrophobicContact CG-CD 4.23Å; M611-K615 WeakPolarHBondContact O-CB 3.41Å; M611-K615 WeakPolarHBondContact O-CG 3.37Å; M611-K615 PolarHBondContact O-N 2.93Å; M611-Y623 HydrophobicContact CB-CD1 4.27Å; M611-Y623 HydrophobicContact CB-CD2 4.11Å; M611-Y623 HydrophobicContact CB-CE1 4.29Å; M611-Y623 HydrophobicContact CB-CE2 4.14Å; M611-Y623 HydrophobicContact CB-CG 4.18Å; M611-Y623 HydrophobicContact CE-CD1 4.25Å; M611-Y623 HydrophobicContact CE-CE1 3.36Å; M611-Y623 HydrophobicContact CE-CE2 4.48Å; M611-Y623 WeakPolarHBondContact CE-OH 3.42Å; M611-Y623 HydrophobicContact CG-CD1 4Å; M611-Y623 HydrophobicContact CG-CE1 4.03Å; M611-Y623 HydrophobicContact CG-CG 4.35Å
612	A	95.4	Very high	90.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-42.6	178.6	0	0	0	0	0	112.1	A199 I201 V254 A608 R609 H610 K615 A616	A199-A612 HydrophobicContact CB-CB 4.11Å; A199-A612 WeakPolarHBondContact CB-O 3.25Å; I201-A612 HydrophobicContact CD1-CB 3.93Å; I201-A612 HydrophobicContact CG1-CB 3.55Å; V254-A612 HydrophobicContact CB-CB 4.32Å; V254-A612 HydrophobicContact CG2-CB 3.71Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 3.2Å; R609-A612 PolarHBondContact O-N 2.89Å; H610-A612 VanDerWaalsContact C-N 3.27Å; H610-A612 PolarHBondContact O-N 3.41Å; A612-K615 PolarHBondContact O-N 3.46Å; A612-A616 WeakPolarHBondContact O-CB 3.45Å; A612-A616 PolarHBondContact O-N 3.27Å
613	L	94.1	Very high	90.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-47.7	174.1	-75.9	169.2	0	0	0	111.4	F22 V176 A199 R609 H610 K615 A616 F617 F621	F22-L613 HydrophobicContact CE2-CD1 3.82Å; F22-L613 HydrophobicContact CZ-CD1 3.5Å; F22-L613 VanDerWaalsContact CZ-CD1 3.5Å; V176-L613 HydrophobicContact CG2-CD1 4.03Å; V176-L613 HydrophobicContact CG2-CD2 3.51Å; V176-L613 HydrophobicContact CG2-CG 3.63Å; A199-L613 HydrophobicContact CB-CD2 4.28Å; R609-L613 PolarHBondContact O-N 2.95Å; H610-L613 PolarHBondContact O-N 3.19Å; L613-K615 VanDerWaalsContact C-N 3.34Å; L613-K615 PolarHBondContact O-N 3.27Å; L613-A616 PolarHBondContact O-N 2.85Å; L613-F617 HydrophobicContact CD2-CD2 3.87Å; L613-F617 HydrophobicContact CD2-CE2 4.03Å; L613-F617 WeakPolarHBondContact O-CA 3.28Å; L613-F617 WeakPolarHBondContact O-CB 3.49Å; L613-F617 PolarHBondContact O-N 3.45Å; L613-F621 HydrophobicContact CB-CB 4.15Å; L613-F621 HydrophobicContact CB-CD1 4.09Å; L613-F621 HydrophobicContact CB-CD2 4.08Å; L613-F621 HydrophobicContact CB-CG 3.83Å; L613-F621 HydrophobicContact CD1-CD1 4.24Å; L613-F621 HydrophobicContact CD1-CE1 4.06Å; L613-F621 HydrophobicContact CD1-CZ 4.39Å; L613-F621 HydrophobicContact CD2-CE2 4.19Å; L613-F621 HydrophobicContact CD2-CZ 4.29Å
614	A	92.8	Very high	89.4	Confident	13 Å²	13	52 Å²	52	11%	0.107	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-37.2	178.1	0	0	0	0	0	113.2	H610 P618 F621	H610-A614 WeakPolarHBondContact O-CB 3.43Å; H610-A614 PolarHBondContact O-N 3.29Å; A614-P618 WeakPolarHBondContact O-CA 3.42Å; A614-F621 HydrophobicContact CB-CB 4.23Å
615	K	94.8	Very high	87.9	Confident	90 Å²	90	53.6 Å²	53.6	39%	0.391	29%	0.285	S	S	.	.	H	α-helix	trans	-71.4	-34	176.1	-75.3	178.8	178.3	176.3	0	112.9	H253 V254 D275 M611 A612 L613	H253-K615 HydrophobicContact CB-CB 4.23Å; H253-K615 HydrophobicContact CB-CD 4.5Å; H253-K615 WeakPolarHBondContact O-CD 3.33Å; H253-K615 PolarHBondContact O-NZ 3.06Å; V254-K615 HydrophobicContact CG2-CD 4.09Å; D275-K615 IonicContact OD1-NZ 3.48Å; D275-K615 PolarHBondContact OD1-NZ 3.35Å; D275-K615 IonicContact OD2-NZ 3.27Å; M611-K615 HydrophobicContact CG-CD 4.23Å; M611-K615 WeakPolarHBondContact O-CB 3.41Å; M611-K615 WeakPolarHBondContact O-CG 3.37Å; M611-K615 PolarHBondContact O-N 2.93Å; A612-K615 PolarHBondContact O-N 3.46Å; L613-K615 VanDerWaalsContact C-N 3.34Å; L613-K615 PolarHBondContact O-N 3.27Å
616	A	94.6	Very high	86	Confident	27 Å²	27	57.4 Å²	57.4	22%	0.223	30%	0.303	C	S	.	.	H	α-helix	trans	-87.4	-32.3	-177.5	0	0	0	0	0	113.2	A199 A612 L613	A199-A616 HydrophobicContact CB-CB 3.69Å; A612-A616 WeakPolarHBondContact O-CB 3.45Å; A612-A616 PolarHBondContact O-N 3.27Å; L613-A616 PolarHBondContact O-N 2.85Å
617	F	93.5	Very high	83.6	Confident	30 Å²	30	62.7 Å²	62.7	13%	0.132	33%	0.327	C	S	.	.			trans	-134.6	62.8	-173.1	-50.2	-66.3	0	0	0	110.9	Y174 P197 A199 L613 D619 H620 F621	Y174-F617 HydrophobicContact CD1-CB 4.21Å; Y174-F617 AromaticContact CD1-CD1 3.92Å; Y174-F617 HydrophobicContact CD1-CD1 3.92Å; Y174-F617 AromaticContact CD1-CD2 3.67Å; Y174-F617 HydrophobicContact CD1-CD2 3.67Å; Y174-F617 HydrophobicContact CD1-CE1 4.15Å; Y174-F617 AromaticContact CD1-CE2 3.92Å; Y174-F617 HydrophobicContact CD1-CE2 3.92Å; Y174-F617 AromaticContact CD1-CG 3.67Å; Y174-F617 HydrophobicContact CD1-CG 3.67Å; Y174-F617 HydrophobicContact CD1-CZ 4.14Å; Y174-F617 HydrophobicContact CE1-CB 4.23Å; Y174-F617 HydrophobicContact CE1-CD1 4.16Å; Y174-F617 HydrophobicContact CE1-CD2 4.48Å; Y174-F617 HydrophobicContact CE1-CG 4.05Å; Y174-F617 HydrophobicContact CG-CD2 4.4Å; P197-F617 HydrophobicContact CB-CE1 4.31Å; A199-F617 HydrophobicContact CB-CE2 4.06Å; L613-F617 HydrophobicContact CD2-CD2 3.87Å; L613-F617 HydrophobicContact CD2-CE2 4.03Å; L613-F617 WeakPolarHBondContact O-CA 3.28Å; L613-F617 WeakPolarHBondContact O-CB 3.49Å; L613-F617 PolarHBondContact O-N 3.45Å; F617-D619 PolarHBondContact O-N 2.89Å; F617-D619 VanDerWaalsContact O-N 3.16Å; F617-H620 PolarHBondContact O-N 3.48Å; F617-H620 VanDerWaalsContact O-N 3.08Å; F617-F621 HydrophobicContact CB-CD2 3.83Å; F617-F621 HydrophobicContact CB-CE2 4.24Å; F617-F621 HydrophobicContact CD2-CE2 4.45Å; F617-F621 PolarHBondContact O-N 3.49Å
618	P	91.3	Very high	81.2	Confident	82 Å²	82	67.1 Å²	67.1	53%	0.532	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.6	-171.2	26.8	-36.3	0	0	0	114.1	A614 H620	A614-P618 WeakPolarHBondContact O-CA 3.42Å; P618-H620 PolarHBondContact O-N 3.27Å
619	D	89.5	Confident	78.3	Confident	151 Å²	151	73.9 Å²	73.9	81%	0.807	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-19.4	178.3	-59.9	-37.7	0	0	0	112.7	F617	F617-D619 PolarHBondContact O-N 2.89Å; F617-D619 VanDerWaalsContact O-N 3.16Å
620	H	86.8	Confident	75.7	Confident	125 Å²	125	76 Å²	76	58%	0.579	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-30.3	-174.1	-65.7	-74.3	0	0	0	113.2	Y174 F617 P618	Y174-H620 HydrophobicContact CE1-CB 4.37Å; Y174-H620 AromaticContact CE1-CD2 3.93Å; Y174-H620 AromaticContact CZ-CD2 3.81Å; Y174-H620 AromaticContact CZ-CG 3.74Å; Y174-H620 PolarHBondContact OH-CD2 2.9Å; Y174-H620 PolarHBondContact OH-CE1 3.25Å; Y174-H620 VanDerWaalsContact OH-CE1 3.24Å; Y174-H620 PolarHBondContact OH-ND1 3.45Å; Y174-H620 VanDerWaalsContact OH-ND1 3.16Å; Y174-H620 PolarHBondContact OH-NE2 2.88Å; F617-H620 PolarHBondContact O-N 3.48Å; F617-H620 VanDerWaalsContact O-N 3.08Å; P618-H620 PolarHBondContact O-N 3.27Å
621	F	87.1	Confident	73.4	Confident	42 Å²	42	78.8 Å²	78.8	18%	0.184	43%	0.427	C	S	.	.			trans	-122.6	132	-178.2	-59.2	-89.2	0	0	0	109.9	F22 Y174 L613 A614 F617	F22-F621 HydrophobicContact CE2-CD1 4.17Å; F22-F621 AromaticContact CE2-CE1 3.76Å; F22-F621 HydrophobicContact CE2-CE1 3.76Å; F22-F621 HydrophobicContact CZ-CE1 4.27Å; Y174-F621 AromaticContact CD1-CE2 3.77Å; Y174-F621 HydrophobicContact CD1-CE2 3.77Å; Y174-F621 AromaticContact CD2-CE2 3.66Å; Y174-F621 HydrophobicContact CD2-CE2 3.66Å; Y174-F621 AromaticContact CD2-CZ 3.63Å; Y174-F621 HydrophobicContact CD2-CZ 3.63Å; Y174-F621 HydrophobicContact CE1-CE2 4.05Å; Y174-F621 AromaticContact CE2-CE2 3.94Å; Y174-F621 HydrophobicContact CE2-CE2 3.94Å; Y174-F621 HydrophobicContact CE2-CZ 4.1Å; Y174-F621 AromaticContact CG-CE2 3.57Å; Y174-F621 HydrophobicContact CG-CE2 3.57Å; Y174-F621 AromaticContact CG-CZ 3.87Å; Y174-F621 HydrophobicContact CG-CZ 3.87Å; L613-F621 HydrophobicContact CB-CB 4.15Å; L613-F621 HydrophobicContact CB-CD1 4.09Å; L613-F621 HydrophobicContact CB-CD2 4.08Å; L613-F621 HydrophobicContact CB-CG 3.83Å; L613-F621 HydrophobicContact CD1-CD1 4.24Å; L613-F621 HydrophobicContact CD1-CE1 4.06Å; L613-F621 HydrophobicContact CD1-CZ 4.39Å; L613-F621 HydrophobicContact CD2-CE2 4.19Å; L613-F621 HydrophobicContact CD2-CZ 4.29Å; A614-F621 HydrophobicContact CB-CB 4.23Å; F617-F621 HydrophobicContact CB-CD2 3.83Å; F617-F621 HydrophobicContact CB-CE2 4.24Å; F617-F621 HydrophobicContact CD2-CE2 4.45Å; F617-F621 PolarHBondContact O-N 3.49Å
622	T	82.1	Confident	71	Confident	95 Å²	95	87 Å²	87	58%	0.583	47%	0.465	S	S	*	.			trans	-110.2	139.6	172	53.6	0	0	0	0	109	R696	T622-R696 PolarHBondContact OG1-NH1 3.18Å; T622-R696 PolarHBondContact OG1-NH2 3.16Å
623	Y	77.2	Confident	68.8	Low	68 Å²	68	88.2 Å²	88.2	27%	0.267	48%	0.477	S	S	.	.			trans	-126	114	171.3	176.7	-99.3	0	0	0	107.3	M611 P625	M611-Y623 HydrophobicContact CB-CD1 4.27Å; M611-Y623 HydrophobicContact CB-CD2 4.11Å; M611-Y623 HydrophobicContact CB-CE1 4.29Å; M611-Y623 HydrophobicContact CB-CE2 4.14Å; M611-Y623 HydrophobicContact CB-CG 4.18Å; M611-Y623 HydrophobicContact CE-CD1 4.25Å; M611-Y623 HydrophobicContact CE-CE1 3.36Å; M611-Y623 HydrophobicContact CE-CE2 4.48Å; M611-Y623 WeakPolarHBondContact CE-OH 3.42Å; M611-Y623 HydrophobicContact CG-CD1 4Å; M611-Y623 HydrophobicContact CG-CE1 4.03Å; M611-Y623 HydrophobicContact CG-CG 4.35Å; Y623-P625 HydrophobicContact CE1-CB 4.24Å; Y623-P625 HydrophobicContact CE1-CG 4.43Å; Y623-P625 WeakPolarHBondContact O-CD 3.42Å
624	E	68.1	Low	67	Low	127 Å²	127	89 Å²	89	59%	0.593	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-84	116.8	167.2	-79.3	169.4	-133.7	0	0	107	H626 R696	E624-H626 PolarHBondContact O-N 3.48Å; E624-H626 VanDerWaalsContact O-N 3.17Å; E624-R696 IonicContact OE1-CZ 2.66Å; E624-R696 IonicContact OE1-NE 3.01Å; E624-R696 PolarHBondContact OE1-NE 3.37Å; E624-R696 IonicContact OE1-NH2 2.79Å; E624-R696 PolarHBondContact OE1-NH2 3.43Å
625	P	57.6	Low	65.8	Low	98 Å²	98	95.6 Å²	95.6	64%	0.636	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-56	125.9	173.2	-17.5	29.2	0	0	0	108	Y623 E627	Y623-P625 HydrophobicContact CE1-CB 4.24Å; Y623-P625 HydrophobicContact CE1-CG 4.43Å; Y623-P625 WeakPolarHBondContact O-CD 3.42Å; P625-E627 PolarHBondContact O-N 3.37Å; P625-E627 VanDerWaalsContact O-N 3.11Å
626	H	53	Low	64.7	Low	81 Å²	81	91.7 Å²	91.7	38%	0.375	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58.2	122.1	162.7	-91.4	-55.6	0	0	0	108	E624 V628 W693	E624-H626 PolarHBondContact O-N 3.48Å; E624-H626 VanDerWaalsContact O-N 3.17Å; H626-V628 PolarHBondContact O-N 3.44Å; H626-W693 HydrophobicContact CB-CZ2 4.36Å; H626-W693 AromaticContact CD2-CE2 3.99Å; H626-W693 AromaticContact CD2-CZ2 3.69Å; H626-W693 AromaticContact CD2-NE1 3.7Å; H626-W693 AromaticContact CE1-CD1 3.5Å; H626-W693 VanDerWaalsContact CE1-CD1 3.5Å; H626-W693 AromaticContact CE1-CE2 3.24Å; H626-W693 AromaticContact CE1-CZ2 3.56Å; H626-W693 AromaticContact CE1-NE1 2.69Å; H626-W693 PolarHBondContact CE1-NE1 3.48Å; H626-W693 AromaticContact CG-CE2 3.96Å; H626-W693 AromaticContact CG-CZ2 3.43Å; H626-W693 VanDerWaalsContact CG-CZ2 3.43Å; H626-W693 AromaticContact ND1-CE2 3.41Å; H626-W693 AromaticContact ND1-CZ2 3.27Å; H626-W693 VanDerWaalsContact ND1-CZ2 3.27Å; H626-W693 WeakPolarHBondContact ND1-CZ2 3.44Å; H626-W693 AromaticContact ND1-NE1 3.39Å; H626-W693 PolarHBondContact ND1-NE1 2.86Å; H626-W693 AromaticContact NE2-CD1 3.82Å; H626-W693 AromaticContact NE2-CE2 3.53Å; H626-W693 AromaticContact NE2-CZ2 3.74Å; H626-W693 AromaticContact NE2-NE1 2.81Å; H626-W693 PolarHBondContact NE2-NE1 3.45Å
627	E	38.7	Very low	63.8	Low	168 Å²	168	91.3 Å²	91.3	79%	0.785	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-52	121.2	171.1	-75.5	-171.2	162.7	0	0	107.8	P625 D629 A630	P625-E627 PolarHBondContact O-N 3.37Å; P625-E627 VanDerWaalsContact O-N 3.11Å; E627-D629 PolarHBondContact O-N 3.02Å; E627-A630 PolarHBondContact O-N 3.43Å
628	V	38.6	Very low	62.9	Low	139 Å²	139	93.6 Å²	93.6	84%	0.842	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	10	-169.4	-167.1	0	0	0	0	111.9	H626 A630	H626-V628 PolarHBondContact O-N 3.44Å; V628-A630 VanDerWaalsContact C-N 3.34Å
629	D	32.6	Very low	62	Low	142 Å²	142	89.8 Å²	89.8	76%	0.759	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	2.2	173.7	-95.2	-10.9	0	0	0	113.9	E627 T631	E627-D629 PolarHBondContact O-N 3.02Å; D629-T631 VanDerWaalsContact C-N 3.31Å; D629-T631 PolarHBondContact O-N 2.82Å; D629-T631 VanDerWaalsContact O-N 3.15Å
630	A	39.4	Very low	60.6	Low	47 Å²	47	84.9 Å²	84.9	39%	0.388	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-88.5	46	-179.8	0	0	0	0	0	114.8	E627 V628 Q632 G633 W693	E627-A630 PolarHBondContact O-N 3.43Å; V628-A630 VanDerWaalsContact C-N 3.34Å; A630-Q632 PolarHBondContact O-N 3.27Å; A630-G633 PolarHBondContact O-N 3.4Å; A630-W693 HydrophobicContact CB-CH2 4.02Å; A630-W693 HydrophobicContact CB-CZ3 4.18Å
631	T	41.5	Very low	59.6	Low	112 Å²	112	81.4 Å²	81.4	69%	0.687	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-73.2	4.5	145.7	42.6	0	0	0	0	111.6	E540 D629	E540-T631 WeakPolarHBondContact OE1-CG2 3.38Å; D629-T631 VanDerWaalsContact C-N 3.31Å; D629-T631 PolarHBondContact O-N 2.82Å; D629-T631 VanDerWaalsContact O-N 3.15Å
632	Q	43.1	Very low	58.6	Low	191 Å²	191	80.8 Å²	80.8	89%	0.893	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-76.4	-3.1	159	-65.9	-165.5	-0.3	0	0	113.7	A630	A630-Q632 PolarHBondContact O-N 3.27Å
633	G	49.1	Very low	57	Low	24 Å²	24	81.1 Å²	81.1	25%	0.247	44%	0.437	C	S	.	.	S	Bend	trans	-86.1	119.3	176.3	0	0	0	0	0	112.2	A630	A630-G633 PolarHBondContact O-N 3.4Å
634	Y	55.8	Low	55.3	Low	18 Å²	18	83.5 Å²	83.5	7%	0.071	46%	0.461	C	S	.	.			trans	48.6	97.1	168.4	-168.2	-85.2	0	0	0	116.2	L12 L595 Y636 I688	L12-Y634 HydrophobicContact CD2-CE2 4.08Å; L12-Y634 WeakPolarHBondContact CD2-OH 3.44Å; L595-Y634 HydrophobicContact CD2-CD1 4.32Å; L595-Y634 HydrophobicContact CD2-CE1 3.39Å; Y634-Y636 HydrophobicContact CE1-CD2 4.36Å; Y634-Y636 WeakPolarHBondContact OH-CD2 3.41Å; Y634-I688 HydrophobicContact CD2-CG2 4.09Å; Y634-I688 HydrophobicContact CE2-CG2 3.34Å
635	R	66.8	Low	53.9	Low	151 Å²	151	81 Å²	81	57%	0.57	46%	0.458	S	S	*	.			trans	-114.2	119.2	165	-160.8	170.9	-169.8	-172	-4.4	109	H541 I542 A543 P637	H541-R635 WeakPolarHBondContact O-CA 3.29Å; I542-R635 PolarHBondContact O-NE 3.19Å; I542-R635 PolarHBondContact O-NH2 3.45Å; A543-R635 VanDerWaalsContact CA-NE 3.33Å; A543-R635 HydrophobicContact CB-CG 4.17Å; R635-P637 VanDerWaalsContact O-N 3.13Å
636	Y	73.3	Confident	52.9	Low	7 Å²	7	82.5 Å²	82.5	3%	0.027	47%	0.467	C	S	.	.	B	Isolated β-bridge	trans	-57.3	121	177.2	-154.9	-72.9	0	0	0	108.1	L12 H541 A543 Y548 L592 L595 Y634 I688	L12-Y636 HydrophobicContact CD2-CE2 4.23Å; H541-Y636 PolarHBondContact O-N 3.23Å; A543-Y636 WeakPolarHBondContact CB-O 3.37Å; A543-Y636 PolarHBondContact N-O 2.95Å; Y548-Y636 HydrophobicContact CD1-CE1 4.49Å; Y548-Y636 AromaticContact CE1-CD1 3.95Å; Y548-Y636 HydrophobicContact CE1-CD1 3.95Å; Y548-Y636 AromaticContact CE1-CE1 3.49Å; Y548-Y636 HydrophobicContact CE1-CE1 3.49Å; Y548-Y636 VanDerWaalsContact CE1-CE1 3.49Å; Y548-Y636 AromaticContact CE2-CD1 3.91Å; Y548-Y636 HydrophobicContact CE2-CD1 3.91Å; Y548-Y636 HydrophobicContact CE2-CE1 4.27Å; Y548-Y636 AromaticContact CZ-CD1 3.48Å; Y548-Y636 VanDerWaalsContact CZ-CD1 3.48Å; Y548-Y636 AromaticContact CZ-CE1 3.37Å; Y548-Y636 WeakPolarHBondContact OH-CD1 3.42Å; Y548-Y636 WeakPolarHBondContact OH-CE1 3.4Å; L592-Y636 HydrophobicContact CD2-CD1 4.1Å; L592-Y636 HydrophobicContact CD2-CD2 4Å; L592-Y636 HydrophobicContact CD2-CE1 4.27Å; L592-Y636 HydrophobicContact CD2-CE2 4.17Å; L592-Y636 HydrophobicContact CD2-CG 3.99Å; L595-Y636 HydrophobicContact CD1-CD2 3.87Å; L595-Y636 HydrophobicContact CD1-CG 4.44Å; L595-Y636 HydrophobicContact CD2-CD2 4.25Å; L595-Y636 HydrophobicContact CG-CD2 4.23Å; Y634-Y636 HydrophobicContact CE1-CD2 4.36Å; Y634-Y636 WeakPolarHBondContact OH-CD2 3.41Å; Y636-I688 HydrophobicContact CE2-CD1 4.18Å
637	P	74.9	Confident	51.8	Low	20 Å²	20	84 Å²	84	13%	0.13	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-67.2	166.2	-170.9	28.6	-36.4	0	0	0	111	Y548 R635 N687 I688	Y548-P637 WeakPolarHBondContact CE2-O 3.44Å; Y548-P637 PolarHBondContact OH-O 3.34Å; R635-P637 VanDerWaalsContact O-N 3.13Å; P637-N687 HydrophobicContact CB-CB 3.93Å; P637-N687 HydrophobicContact CG-CB 3.83Å; P637-I688 HydrophobicContact CG-CG1 4Å
638	R	73.8	Confident	51.6	Low	77 Å²	77	84.3 Å²	84.3	29%	0.291	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-64.9	142.8	169.9	-170.8	176	-165.1	-163.7	-5.3	109.5	D544 A640 P643 S645	D544-R638 HydrophobicContact CB-CG 4.15Å; D544-R638 IonicContact OD2-CZ 3.65Å; D544-R638 IonicContact OD2-NE 3.57Å; D544-R638 PolarHBondContact OD2-NE 3.12Å; D544-R638 VanDerWaalsContact OD2-NE 3.11Å; D544-R638 IonicContact OD2-NH2 2.77Å; R638-A640 PolarHBondContact O-N 2.97Å; R638-P643 PolarHBondContact NH1-O 3.28Å; R638-S645 VanDerWaalsContact NH1-N 3.16Å; R638-S645 PolarHBondContact NH1-OG 3.3Å; R638-S645 PolarHBondContact NH2-OG 3.5Å
639	P	72.8	Confident	51.3	Low	2 Å²	2	82.6 Å²	82.6	1%	0.013	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-62.6	135.3	-179.1	-9.1	19.4	0	0	0	110.5	A547 Y548 S641 V642	A547-P639 HydrophobicContact CB-CG 3.91Å; Y548-P639 HydrophobicContact CD1-CG 4.46Å; Y548-P639 HydrophobicContact CD2-CG 4.01Å; Y548-P639 HydrophobicContact CE1-CG 3.99Å; Y548-P639 HydrophobicContact CE2-CG 3.5Å; Y548-P639 HydrophobicContact CG-CG 4.44Å; Y548-P639 VanDerWaalsContact CZ-CG 3.44Å; Y548-P639 WeakPolarHBondContact OH-CA 3.45Å; P639-S641 PolarHBondContact O-N 2.93Å; P639-S641 VanDerWaalsContact O-N 3.1Å; P639-V642 HydrophobicContact CB-CG2 4.21Å; P639-V642 HydrophobicContact CG-CG2 4.06Å; P639-V642 PolarHBondContact O-N 2.94Å
640	A	60.6	Low	51.2	Low	48 Å²	48	87.3 Å²	87.3	40%	0.397	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.5	-175.9	0	0	0	0	0	114	R638 V642 K683 D684	R638-A640 PolarHBondContact O-N 2.97Å; A640-V642 VanDerWaalsContact C-N 3.3Å; A640-V642 PolarHBondContact O-N 3.44Å; A640-K683 HydrophobicContact CB-CB 3.86Å; A640-K683 HydrophobicContact CB-CD 4.24Å; A640-D684 PolarHBondContact N-OD1 2.95Å; A640-D684 VanDerWaalsContact N-OD1 3.13Å
641	S	65.3	Low	51	Low	52 Å²	52	94.4 Å²	94.4	36%	0.364	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	1	178.9	65.4	0	0	0	0	114.5	R588 P639 E680	R588-S641 PolarHBondContact NH2-OG 3.04Å; P639-S641 PolarHBondContact O-N 2.93Å; P639-S641 VanDerWaalsContact O-N 3.1Å; S641-E680 WeakPolarHBondContact CB-OE1 3.45Å; S641-E680 PolarHBondContact OG-OE1 3.28Å
642	V	65.9	Low	50.4	Low	30 Å²	30	94.7 Å²	94.7	18%	0.182	53%	0.525	C	S	.	.	S	Bend	trans	-94.9	118.8	170.5	-175	0	0	0	0	108.4	A547 P639 A640	A547-V642 HydrophobicContact CB-CG2 4.21Å; P639-V642 HydrophobicContact CB-CG2 4.21Å; P639-V642 HydrophobicContact CG-CG2 4.06Å; P639-V642 PolarHBondContact O-N 2.94Å; A640-V642 VanDerWaalsContact C-N 3.3Å; A640-V642 PolarHBondContact O-N 3.44Å
643	P	49.1	Very low	49.7	Very low	102 Å²	102	91 Å²	91	66%	0.662	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-58.9	142.4	-179.4	20.7	-29.6	0	0	0	110.8	R638 S645	R638-P643 PolarHBondContact NH1-O 3.28Å; P643-S645 PolarHBondContact O-N 3.06Å
644	P	41.9	Very low	49	Very low	117 Å²	117	95.5 Å²	95.5	76%	0.76	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-58.2	132.7	177.8	23	-30.9	0	0	0	109.2
645	S	38.2	Very low	47.6	Very low	76 Å²	76	103.7 Å²	103.7	53%	0.531	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-66	137.9	174.4	-53.5	0	0	0	0	107.2	R638 P643 S647	R638-S645 VanDerWaalsContact NH1-N 3.16Å; R638-S645 PolarHBondContact NH1-OG 3.3Å; R638-S645 PolarHBondContact NH2-OG 3.5Å; P643-S645 PolarHBondContact O-N 3.06Å; S645-S647 PolarHBondContact O-N 3.45Å
646	P	35.8	Very low	45.7	Very low	129 Å²	129	105.3 Å²	105.3	84%	0.838	60%	0.598	S	S	*	*			trans	-60.1	114.4	-177.7	22.4	-30.6	0	0	0	109	L648	P646-L648 PolarHBondContact O-N 2.86Å
647	S	30.1	Very low	44.1	Very low	112 Å²	112	110.5 Å²	110.5	78%	0.783	64%	0.635	S	S	*	*			trans	-65.5	120.8	170.9	40.8	0	0	0	0	108	S645 S649	S645-S647 PolarHBondContact O-N 3.45Å; S647-S649 VanDerWaalsContact C-N 3.34Å; S647-S649 PolarHBondContact O-N 3.4Å
648	L	34.6	Very low	42	Very low	175 Å²	175	117.7 Å²	117.7	92%	0.916	67%	0.667	S	S	*	*	S	Bend	trans	-61.2	96.2	168.3	-86.5	156.7	0	0	0	108.8	P646	P646-L648 PolarHBondContact O-N 2.86Å
649	S	33.8	Very low	39.7	Very low	102 Å²	102	120.9 Å²	120.9	71%	0.713	69%	0.69	S	S	*	*			trans	172.1	98.1	134.6	45.4	0	0	0	0	111.6	S647	S647-S649 VanDerWaalsContact C-N 3.34Å; S647-S649 PolarHBondContact O-N 3.4Å
650	R	29.8	Very low	38.1	Very low	242 Å²	242	130.2 Å²	130.2	91%	0.913	73%	0.733	S	S	*	*				151.6	130.3	127.4	-83	-178.4	175.6	-169.9	-0.7	110.5
651	H	34.8	Very low	36.6	Very low	196 Å²	196	136.5 Å²	136.5	91%	0.907	76%	0.755	S	S	*	*			trans	-53.7	134.1	174.9	-74.3	-75.2	0	0	0	112
652	S	28.9	Very low	35.3	Very low	117 Å²	117	142.8 Å²	142.8	82%	0.818	78%	0.778	S	S	*	*			trans	-134.9	130.3	154.2	-55.7	0	0	0	0	107.3
653	S	28.6	Very low	33.5	Very low	113 Å²	113	147.3 Å²	147.3	79%	0.79	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-59.2	161	-166.5	-50	0	0	0	0	115.1
654	P	34.1	Very low	32.8	Very low	119 Å²	119	153.1 Å²	153.1	77%	0.773	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-76.6	134.4	-169.8	32.2	-31.1	0	0	0	110.6
655	H	27.2	Very low	32.8	Very low	191 Å²	191	155.7 Å²	155.7	88%	0.884	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-92.8	129.9	158.1	-100.2	38	0	0	0	108.8
656	Q	26.7	Very low	32.5	Very low	185 Å²	185	155.2 Å²	155.2	86%	0.864	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-62	143.2	-175.2	-75.1	166.2	-48	0	0	111.7
657	S	39.6	Very low	32.5	Very low	116 Å²	116	155.4 Å²	155.4	81%	0.811	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-79.1	116.6	169.4	49.8	0	0	0	0	111.1
658	E	29.9	Very low	32.8	Very low	170 Å²	170	158.6 Å²	158.6	79%	0.794	84%	0.84	S	S	*	*			trans	-151.6	128.5	159.4	-65.3	-175.3	166.1	0	0	103.4
659	D	26.8	Very low	32.6	Very low	145 Å²	145	153.6 Å²	153.6	78%	0.775	83%	0.831	S	S	*	*			cis	-151.5	148.3	14.2	-87	-47.6	0	0	0	109.2	E661	D659-E661 PolarHBondContact O-N 2.83Å
660	E	38.8	Very low	32.9	Very low	197 Å²	197	157.7 Å²	157.7	92%	0.921	84%	0.839	S	S	*	*			trans	-75.4	108.5	160.7	-70.4	-177.9	157.5	0	0	109
661	E	28.3	Very low	33.1	Very low	181 Å²	181	154 Å²	154	85%	0.846	84%	0.837	S	S	*	*			trans	-133.2	113.9	156.7	-77.6	-163.4	159.6	0	0	110.1	D659	D659-E661 PolarHBondContact O-N 2.83Å
662	E	38	Very low	33.5	Very low	183 Å²	183	148.1 Å²	148.1	86%	0.855	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-63.9	132.5	165.3	-69.7	-171.5	154.4	0	0	110.7
663	P	29.3	Very low	34.3	Very low	126 Å²	126	151.3 Å²	151.3	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-96.6	118.2	157.4	16.7	0.7	0	0	0	110.4
664	R	33.7	Very low	35.3	Very low	224 Å²	224	157.2 Å²	157.2	85%	0.845	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-60	143.3	165.3	-70.3	175.3	173.1	179.4	-2.5	112.1
665	D	42.5	Very low	36.4	Very low	170 Å²	170	154.4 Å²	154.4	91%	0.909	80%	0.799	S	S	*	*			trans	34.8	99	151.6	-69.5	-31.2	0	0	0	118.9
666	G	30.6	Very low	38.4	Very low	67 Å²	67	149.1 Å²	149.1	69%	0.691	78%	0.777	S	S	*	*			trans	-170.8	149.7	164.7	0	0	0	0	0	110.7	L668	G666-L668 PolarHBondContact O-N 3.2Å
667	P	36.3	Very low	40.2	Very low	132 Å²	132	142.2 Å²	142.2	86%	0.857	75%	0.745	S	S	*	*			trans	-65.2	134	-157.7	27.5	-33	0	0	0	112.3	G669	P667-G669 PolarHBondContact O-N 2.99Å
668	L	36.7	Very low	41.3	Very low	180 Å²	180	144.1 Å²	144.1	94%	0.942	74%	0.741	S	S	*	*			trans	-35	100	177.9	-72.2	151.7	0	0	0	112.7	G666	G666-L668 PolarHBondContact O-N 3.2Å
669	G	31	Very low	43.2	Very low	70 Å²	70	140.6 Å²	140.6	72%	0.722	73%	0.725	S	S	*	*			trans	-72.6	122.4	169.7	0	0	0	0	0	110.5	P667 D671	P667-G669 PolarHBondContact O-N 2.99Å; G669-D671 VanDerWaalsContact C-N 3.34Å; G669-D671 PolarHBondContact O-N 3.21Å
670	E	39.7	Very low	45.2	Very low	188 Å²	188	134.1 Å²	134.1	88%	0.879	69%	0.69	S	S	*	*			trans	-64.6	84.3	167.4	-67.9	177.4	135.6	0	0	110.4
671	D	34.4	Very low	46.3	Very low	165 Å²	165	125 Å²	125	88%	0.882	65%	0.649	S	S	*	*			trans	-141.7	46.6	167.3	-86.8	-36.6	0	0	0	111.3	G669	G669-D671 VanDerWaalsContact C-N 3.34Å; G669-D671 PolarHBondContact O-N 3.21Å
672	S	43.4	Very low	47.9	Very low	71 Å²	71	117.5 Å²	117.5	50%	0.497	62%	0.618	S	S	.	*	S	Bend	trans	-94.7	110.3	149.1	127.9	0	0	0	0	104.5	R580 R674	R580-S672 PolarHBondContact NH1-OG 2.93Å; R580-S672 VanDerWaalsContact NH1-OG 3.16Å; R580-S672 PolarHBondContact NH2-OG 3.24Å; S672-R674 PolarHBondContact O-N 3.22Å
673	E	44.6	Very low	49.3	Very low	185 Å²	185	112.8 Å²	112.8	86%	0.864	59%	0.594	S	S	*	*			trans	-33.7	114.5	171.1	-73.2	-176.4	163.7	0	0	109.5	Y675	E673-Y675 PolarHBondContact O-N 3.44Å
674	R	50.5	Low	50.9	Low	236 Å²	236	106.8 Å²	106.8	89%	0.891	56%	0.555	S	S	*	*			trans	-62	114.9	-177.4	-172.8	177.1	-177.6	-177.7	-0.2	105.8	S672 D676	S672-R674 PolarHBondContact O-N 3.22Å; R674-D676 PolarHBondContact O-N 2.75Å
675	Y	57.1	Low	52.3	Low	61 Å²	61	100.5 Å²	100.5	24%	0.239	53%	0.531	C	S	.	.			trans	-58.5	105.2	176.2	170.4	-97.4	0	0	0	108	I584 R591 E673 E677 E680	I584-Y675 HydrophobicContact CD1-CD2 4.49Å; I584-Y675 HydrophobicContact CG1-CD1 4.3Å; I584-Y675 HydrophobicContact CG1-CE1 4.12Å; I584-Y675 HydrophobicContact CG1-CE2 4.4Å; I584-Y675 HydrophobicContact CG2-CE2 4.12Å; R591-Y675 PolarHBondContact NH2-OH 2.92Å; E673-Y675 PolarHBondContact O-N 3.44Å; Y675-E677 HydrophobicContact CE1-CB 4.17Å; Y675-E680 WeakPolarHBondContact CE2-OE2 3.43Å; Y675-E680 PolarHBondContact OH-OE2 3.36Å
676	D	69.8	Low	53	Low	79 Å²	79	102.1 Å²	102.1	42%	0.422	53%	0.525	S	S	.	.			trans	-93.4	108.4	177.4	-169.7	-37.3	0	0	0	108.5	R674 E678 E679 E680	R674-D676 PolarHBondContact O-N 2.75Å; D676-E678 VanDerWaalsContact C-N 3.35Å; D676-E678 PolarHBondContact OD1-N 2.99Å; D676-E679 HydrophobicContact CB-CB 3.75Å; D676-E679 PolarHBondContact O-N 3.3Å; D676-E679 PolarHBondContact OD1-N 2.79Å; D676-E680 PolarHBondContact O-N 3.09Å
677	E	62.9	Low	54.2	Low	41 Å²	41	103.1 Å²	103.1	19%	0.192	52%	0.515	C	S	.	.	H	α-helix	trans	-66.9	-36	-177.7	178.9	166.7	-159.1	0	0	112.4	N587 Y675 A681	N587-E677 WeakPolarHBondContact CB-OE1 3.32Å; N587-E677 PolarHBondContact ND2-OE1 3.47Å; N587-E677 PolarHBondContact ND2-OE2 3.06Å; N587-E677 VanDerWaalsContact ND2-OE2 3.08Å; Y675-E677 HydrophobicContact CE1-CB 4.17Å; E677-A681 VanDerWaalsContact O-CB 3.3Å; E677-A681 WeakPolarHBondContact O-CB 3.13Å; E677-A681 PolarHBondContact O-N 2.87Å
678	E	63.7	Low	55.1	Low	155 Å²	155	97.3 Å²	97.3	72%	0.724	48%	0.476	S	S	*	.	H	α-helix	trans	-71.6	-38.9	178.6	-70.5	-175.5	-178.6	0	0	110.6	D676 A682	D676-E678 VanDerWaalsContact C-N 3.35Å; D676-E678 PolarHBondContact OD1-N 2.99Å; E678-A682 VanDerWaalsContact O-CB 3.29Å; E678-A682 WeakPolarHBondContact O-CB 3.34Å; E678-A682 PolarHBondContact O-N 3.07Å
679	E	69.4	Low	55.4	Low	97 Å²	97	99.1 Å²	99.1	45%	0.453	47%	0.47	S	S	.	.	H	α-helix	trans	-65	-43	174.6	-161.4	-165.3	157.3	0	0	111.5	D676 A682 K683	D676-E679 HydrophobicContact CB-CB 3.75Å; D676-E679 PolarHBondContact O-N 3.3Å; D676-E679 PolarHBondContact OD1-N 2.79Å; E679-A682 WeakPolarHBondContact O-CB 3.37Å; E679-A682 PolarHBondContact O-N 2.99Å; E679-K683 WeakPolarHBondContact O-CG 3.25Å; E679-K683 PolarHBondContact O-N 3.22Å; E679-K683 WeakPolarHBondContact OE1-CE 3.38Å; E679-K683 IonicContact OE1-NZ 2.89Å; E679-K683 PolarHBondContact OE1-NZ 3.11Å
680	E	67.8	Low	55.7	Low	8 Å²	8	98.3 Å²	98.3	4%	0.037	46%	0.457	C	S	.	.	H	α-helix	trans	-66.2	-45	177.1	-163.8	-166.1	-169.1	0	0	111.6	R588 R591 S641 Y675 D676 A682 K683 D684	R588-E680 IonicContact NE-OE1 3.73Å; R591-E680 IonicContact CZ-OE2 3.13Å; R591-E680 VanDerWaalsContact NH1-CD 3.26Å; R591-E680 IonicContact NH1-OE1 3.96Å; R591-E680 IonicContact NH1-OE2 3.73Å; R591-E680 PolarHBondContact NH1-OE2 3.37Å; R591-E680 IonicContact NH2-OE2 3.55Å; R591-E680 PolarHBondContact NH2-OE2 3.34Å; S641-E680 WeakPolarHBondContact CB-OE1 3.45Å; S641-E680 PolarHBondContact OG-OE1 3.28Å; Y675-E680 WeakPolarHBondContact CE2-OE2 3.43Å; Y675-E680 PolarHBondContact OH-OE2 3.36Å; D676-E680 PolarHBondContact O-N 3.09Å; E680-A682 PolarHBondContact O-N 3.34Å; E680-K683 WeakPolarHBondContact O-CB 3.08Å; E680-K683 PolarHBondContact O-N 3.1Å; E680-K683 VanDerWaalsContact O-N 3.07Å; E680-D684 PolarHBondContact O-N 3.21Å
681	A	62.1	Low	55.6	Low	7 Å²	7	91.9 Å²	91.9	6%	0.058	43%	0.431	C	S	.	.	H	α-helix	trans	-59.9	-36.2	174.1	0	0	0	0	0	111.3	E677 R685	E677-A681 VanDerWaalsContact O-CB 3.3Å; E677-A681 WeakPolarHBondContact O-CB 3.13Å; E677-A681 PolarHBondContact O-N 2.87Å; A681-R685 WeakPolarHBondContact O-CB 3.5Å; A681-R685 VanDerWaalsContact O-CG 3.24Å; A681-R685 WeakPolarHBondContact O-CG 3.19Å; A681-R685 PolarHBondContact O-N 3.33Å; A681-R685 PolarHBondContact O-NE 2.9Å
682	A	63.6	Low	55.4	Low	23 Å²	23	93.1 Å²	93.1	19%	0.19	43%	0.432	C	S	.	.	H	α-helix	trans	-68.1	-36.1	174.1	0	0	0	0	0	113	E678 E679 E680 R686	E678-A682 VanDerWaalsContact O-CB 3.29Å; E678-A682 WeakPolarHBondContact O-CB 3.34Å; E678-A682 PolarHBondContact O-N 3.07Å; E679-A682 WeakPolarHBondContact O-CB 3.37Å; E679-A682 PolarHBondContact O-N 2.99Å; E680-A682 PolarHBondContact O-N 3.34Å; A682-R686 WeakPolarHBondContact O-CG 3.4Å; A682-R686 PolarHBondContact O-N 3.37Å; A682-R686 VanDerWaalsContact O-N 3.15Å
683	K	65.8	Low	55	Low	83 Å²	83	94.2 Å²	94.2	36%	0.361	43%	0.425	S	S	.	.	H	α-helix	trans	-67.7	-45.8	174.8	-74.1	170.4	-177	166	0	111.4	A640 E679 E680 R685 R686 N687	A640-K683 HydrophobicContact CB-CB 3.86Å; A640-K683 HydrophobicContact CB-CD 4.24Å; E679-K683 WeakPolarHBondContact O-CG 3.25Å; E679-K683 PolarHBondContact O-N 3.22Å; E679-K683 WeakPolarHBondContact OE1-CE 3.38Å; E679-K683 IonicContact OE1-NZ 2.89Å; E679-K683 PolarHBondContact OE1-NZ 3.11Å; E680-K683 WeakPolarHBondContact O-CB 3.08Å; E680-K683 PolarHBondContact O-N 3.1Å; E680-K683 VanDerWaalsContact O-N 3.07Å; K683-R685 VanDerWaalsContact C-N 3.3Å; K683-R685 PolarHBondContact O-N 3.42Å; K683-R686 PolarHBondContact O-N 3.43Å; K683-N687 PolarHBondContact O-N 2.97Å; K683-N687 PolarHBondContact O-ND2 3.02Å
684	D	62.8	Low	54.3	Low	1 Å²	1	91 Å²	91	1%	0.005	42%	0.42	C	S	.	.	H	α-helix	trans	-58.8	-44.5	175.4	-70.5	-11.5	0	0	0	110	R591 A640 E680 R686 N687 I688	R591-D684 IonicContact NH1-OD2 2.92Å; R591-D684 PolarHBondContact NH1-OD2 2.93Å; A640-D684 PolarHBondContact N-OD1 2.95Å; A640-D684 VanDerWaalsContact N-OD1 3.13Å; E680-D684 PolarHBondContact O-N 3.21Å; D684-R686 PolarHBondContact O-N 3.26Å; D684-N687 CarbonylContact O-C 3.39Å; D684-N687 PolarHBondContact O-N 3.37Å; D684-I688 WeakPolarHBondContact O-CG1 3.46Å; D684-I688 PolarHBondContact O-N 2.93Å
685	R	63.5	Low	53.2	Low	91 Å²	91	90.3 Å²	90.3	34%	0.343	42%	0.418	S	S	.	.	H	α-helix	trans	-54.8	-45.3	173.6	-78.2	-174.2	-67.3	-103.6	2.6	113.4	S11 P13 A681 K683 N687 I688	S11-R685 WeakPolarHBondContact O-CG 3.44Å; P13-R685 HydrophobicContact CG-CB 4.28Å; P13-R685 WeakPolarHBondContact CG-O 3.29Å; A681-R685 WeakPolarHBondContact O-CB 3.5Å; A681-R685 VanDerWaalsContact O-CG 3.24Å; A681-R685 WeakPolarHBondContact O-CG 3.19Å; A681-R685 PolarHBondContact O-N 3.33Å; A681-R685 PolarHBondContact O-NE 2.9Å; K683-R685 VanDerWaalsContact C-N 3.3Å; K683-R685 PolarHBondContact O-N 3.42Å; R685-N687 PolarHBondContact O-N 2.96Å; R685-I688 PolarHBondContact O-N 3.05Å
686	R	57.8	Low	52.1	Low	204 Å²	204	94.3 Å²	94.3	77%	0.77	43%	0.432	S	S	*	.	H	α-helix	trans	-65.4	-26	178.2	-68	177.4	-147.8	-178.7	5.6	113.2	A682 K683 D684	A682-R686 WeakPolarHBondContact O-CG 3.4Å; A682-R686 PolarHBondContact O-N 3.37Å; A682-R686 VanDerWaalsContact O-N 3.15Å; K683-R686 PolarHBondContact O-N 3.43Å; D684-R686 PolarHBondContact O-N 3.26Å
687	N	55.1	Low	50.1	Low	89 Å²	89	95 Å²	95	48%	0.476	45%	0.449	S	S	.	.	H	α-helix	trans	-90.3	-12.9	-178.5	-66.8	-23.4	0	0	0	113	P637 K683 D684 R685 R689	P637-N687 HydrophobicContact CB-CB 3.93Å; P637-N687 HydrophobicContact CG-CB 3.83Å; K683-N687 PolarHBondContact O-N 2.97Å; K683-N687 PolarHBondContact O-ND2 3.02Å; D684-N687 CarbonylContact O-C 3.39Å; D684-N687 PolarHBondContact O-N 3.37Å; R685-N687 PolarHBondContact O-N 2.96Å; N687-R689 PolarHBondContact O-N 3.43Å
688	I	55.6	Low	48.5	Very low	9 Å²	9	98.5 Å²	98.5	5%	0.046	48%	0.478	C	S	.	.	S	Bend	trans	-70.4	108.6	170.3	-70.3	167.9	0	0	0	107.6	L12 P13 Y634 Y636 P637 D684 R685	L12-I688 HydrophobicContact CD2-CD1 3.94Å; P13-I688 HydrophobicContact CG-CB 3.9Å; P13-I688 HydrophobicContact CG-CG2 3.99Å; Y634-I688 HydrophobicContact CD2-CG2 4.09Å; Y634-I688 HydrophobicContact CE2-CG2 3.34Å; Y636-I688 HydrophobicContact CE2-CD1 4.18Å; P637-I688 HydrophobicContact CG-CG1 4Å; D684-I688 WeakPolarHBondContact O-CG1 3.46Å; D684-I688 PolarHBondContact O-N 2.93Å; R685-I688 PolarHBondContact O-N 3.05Å
689	R	43.9	Very low	46.7	Very low	218 Å²	218	97.5 Å²	97.5	82%	0.823	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-74.5	128.6	172.2	-69.3	-174.5	178.9	-175.5	-1	109.1	N687	N687-R689 PolarHBondContact O-N 3.43Å
690	A	37.2	Very low	44.7	Very low	53 Å²	53	98 Å²	98	44%	0.438	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-59.7	141.8	168.7	0	0	0	0	0	109.3	E692	A690-E692 PolarHBondContact O-N 3.38Å
691	P	37.7	Very low	42.8	Very low	53 Å²	53	102.6 Å²	102.6	34%	0.344	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-60.3	123.8	168	-9.1	21.9	0	0	0	108.4	W693	P691-W693 HydrophobicContact CB-CE3 4Å; P691-W693 HydrophobicContact CB-CZ3 4.48Å; P691-W693 PolarHBondContact O-N 3.04Å
692	E	28.3	Very low	41.1	Very low	192 Å²	192	108.1 Å²	108.1	90%	0.897	57%	0.572	S	S	*	*			trans	-77.5	113.8	165.2	-78.8	-174.2	169.6	0	0	107.7	A690	A690-E692 PolarHBondContact O-N 3.38Å
693	W	36.7	Very low	39.4	Very low	93 Å²	93	113.2 Å²	113.2	35%	0.352	60%	0.601	S	S	.	*			trans	-129.1	129.9	-179.4	-131	-103.6	0	0	0	109.1	W18 H626 A630 P691 R695	W18-W693 AromaticContact CH2-CD1 3.37Å; W18-W693 HydrophobicContact CH2-CG 4.26Å; W18-W693 AromaticContact CH2-NE1 3.35Å; W18-W693 VanDerWaalsContact CH2-NE1 3.35Å; W18-W693 AromaticContact CZ2-CD1 3.68Å; W18-W693 HydrophobicContact CZ2-CG 4.15Å; W18-W693 AromaticContact CZ2-NE1 3.72Å; H626-W693 HydrophobicContact CB-CZ2 4.36Å; H626-W693 AromaticContact CD2-CE2 3.99Å; H626-W693 AromaticContact CD2-CZ2 3.69Å; H626-W693 AromaticContact CD2-NE1 3.7Å; H626-W693 AromaticContact CE1-CD1 3.5Å; H626-W693 VanDerWaalsContact CE1-CD1 3.5Å; H626-W693 AromaticContact CE1-CE2 3.24Å; H626-W693 AromaticContact CE1-CZ2 3.56Å; H626-W693 AromaticContact CE1-NE1 2.69Å; H626-W693 PolarHBondContact CE1-NE1 3.48Å; H626-W693 AromaticContact CG-CE2 3.96Å; H626-W693 AromaticContact CG-CZ2 3.43Å; H626-W693 VanDerWaalsContact CG-CZ2 3.43Å; H626-W693 AromaticContact ND1-CE2 3.41Å; H626-W693 AromaticContact ND1-CZ2 3.27Å; H626-W693 VanDerWaalsContact ND1-CZ2 3.27Å; H626-W693 WeakPolarHBondContact ND1-CZ2 3.44Å; H626-W693 AromaticContact ND1-NE1 3.39Å; H626-W693 PolarHBondContact ND1-NE1 2.86Å; H626-W693 AromaticContact NE2-CD1 3.82Å; H626-W693 AromaticContact NE2-CE2 3.53Å; H626-W693 AromaticContact NE2-CZ2 3.74Å; H626-W693 AromaticContact NE2-NE1 2.81Å; H626-W693 PolarHBondContact NE2-NE1 3.45Å; A630-W693 HydrophobicContact CB-CH2 4.02Å; A630-W693 HydrophobicContact CB-CZ3 4.18Å; P691-W693 HydrophobicContact CB-CE3 4Å; P691-W693 HydrophobicContact CB-CZ3 4.48Å; P691-W693 PolarHBondContact O-N 3.04Å; W693-R695 PolarHBondContact O-N 3.21Å
694	P	28.5	Very low	37.6	Very low	117 Å²	117	113.5 Å²	113.5	76%	0.76	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-69.5	125.2	-177.2	2.1	7	0	0	0	111
695	R	28.8	Very low	35.9	Very low	223 Å²	223	117.1 Å²	117.1	84%	0.842	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-70.5	135.4	167.2	-67.2	-175.3	-178	-160	-1.6	109.4	W693	W693-R695 PolarHBondContact O-N 3.21Å
696	R	32.8	Very low	34.2	Very low	144 Å²	144	118.4 Å²	118.4	54%	0.543	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-61.8	136.6	172.1	-102.8	-178.5	171.2	-177.1	-3.1	110.7	T622 E624 S698	T622-R696 PolarHBondContact OG1-NH1 3.18Å; T622-R696 PolarHBondContact OG1-NH2 3.16Å; E624-R696 IonicContact OE1-CZ 2.66Å; E624-R696 IonicContact OE1-NE 3.01Å; E624-R696 PolarHBondContact OE1-NE 3.37Å; E624-R696 IonicContact OE1-NH2 2.79Å; E624-R696 PolarHBondContact OE1-NH2 3.43Å; R696-S698 PolarHBondContact O-N 2.98Å
697	A	28.4	Very low	32.9	Very low	94 Å²	94	118.5 Å²	118.5	78%	0.777	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-65.4	124.3	166.5	0	0	0	0	0	109	C699	A697-C699 PolarHBondContact O-N 3.48Å
698	S	28.5	Very low	31.5	Very low	114 Å²	114	125.9 Å²	125.9	80%	0.797	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-62.9	119.2	178.3	48.1	0	0	0	0	110.9	R696 S700	R696-S698 PolarHBondContact O-N 2.98Å; S698-S700 PolarHBondContact O-N 2.95Å; S698-S700 VanDerWaalsContact O-N 3.08Å
699	C	26.8	Very low	30.2	Very low	134 Å²	134	131.1 Å²	131.1	91%	0.905	75%	0.753	S	S	*	*			trans	-73.3	92.8	163	-85.9	0	0	0	0	108.5	A697 S701	A697-C699 PolarHBondContact O-N 3.48Å; C699-S701 PolarHBondContact O-N 3.01Å
700	S	27.9	Very low	29.3	Very low	109 Å²	109	128.4 Å²	128.4	76%	0.762	76%	0.755	S	S	*	*			trans	-68.9	110.5	167.7	60	0	0	0	0	109.6	S698 S702	S698-S700 PolarHBondContact O-N 2.95Å; S698-S700 VanDerWaalsContact O-N 3.08Å; S700-S702 PolarHBondContact O-N 2.76Å
701	S	27.5	Very low	28.9	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	77%	0.77	S	S	*	*			trans	-69.3	109.9	166.6	49.7	0	0	0	0	109.5	C699 T703	C699-S701 PolarHBondContact O-N 3.01Å; S701-T703 PolarHBondContact O-N 2.86Å
702	S	25.6	Very low	28.4	Very low	122 Å²	122	134.5 Å²	134.5	85%	0.853	79%	0.789	S	S	*	*			trans	-72.7	93.9	172.6	58.1	0	0	0	0	109.9	S700	S700-S702 PolarHBondContact O-N 2.76Å
703	T	29.2	Very low	28.4	Very low	131 Å²	131	131.9 Å²	131.9	80%	0.804	78%	0.782	S	S	*	*			trans	-89.2	120.4	161.1	42.5	0	0	0	0	109	S701 G705	S701-T703 PolarHBondContact O-N 2.86Å; T703-G705 PolarHBondContact O-N 2.73Å
704	G	27.3	Very low	28	Very low	88 Å²	88	133.4 Å²	133.4	91%	0.907	80%	0.801	S	S	*	*			trans	-65.7	128.5	-179.9	0	0	0	0	0	112.1
705	G	27.1	Very low	27.9	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	80%	0.802	S	S	*	*			trans	-137.2	94.9	172.3	0	0	0	0	0	110.3	T703 K707	T703-G705 PolarHBondContact O-N 2.73Å; G705-K707 PolarHBondContact O-N 2.81Å
706	S	27.7	Very low	28.6	Very low	119 Å²	119	126.4 Å²	126.4	83%	0.832	80%	0.799	S	S	*	*			trans	-63.6	116.8	174.2	178.9	0	0	0	0	111.3
707	K	29.6	Very low	28.4	Very low	205 Å²	205	124.8 Å²	124.8	89%	0.891	81%	0.809	S	S	*	*			trans	-143.7	113	152.2	-81.4	-168.1	178.9	171.4	0	111.1	G705	G705-K707 PolarHBondContact O-N 2.81Å
708	R	26	Very low	28.5	Very low	244 Å²	244	125.1 Å²	125.1	92%	0.921	81%	0.806	S	S	*	*			trans	-63.4	136.1	163.8	-80.6	174.2	164.8	175.9	-4.9	110.6
709	S	28.1	Very low	28.5	Very low	120 Å²	120	124.3 Å²	124.3	84%	0.839	80%	0.8	S	S	*	*			trans	-160.7	139.1	140.5	53.1	0	0	0	0	111.1
710	N	26.4	Very low	28.7	Very low	161 Å²	161	125.1 Å²	125.1	86%	0.861	80%	0.795	S	S	*	*			trans	-78.3	148.5	-170.2	-71.5	-26	0	0	0	114.6
711	S	27.7	Very low	28.7	Very low	109 Å²	109	123.9 Å²	123.9	76%	0.762	79%	0.786	S	S	*	*			trans	168.1	113.4	131.6	37.1	0	0	0	0	108.1
712	V	27.8	Very low	28.8	Very low	124 Å²	124	125 Å²	125	75%	0.752	79%	0.789	S	S	*	*				50.6	113.4	87.7	-171.8	0	0	0	0	109.9
713	D	27.2	Very low	29.9	Very low	137 Å²	137	124.3 Å²	124.3	73%	0.733	78%	0.781	S	S	*	*				-172.2	162.6	52.8	-135.4	-21.3	0	0	0	113.7
714	T	29.2	Very low	30	Very low	125 Å²	125	124.1 Å²	124.1	77%	0.767	78%	0.78	S	S	*	*			trans	70.7	117.2	154	57.2	0	0	0	0	122.9
715	G	27.2	Very low	30.1	Very low	74 Å²	74	128.2 Å²	128.2	76%	0.763	78%	0.776	S	S	*	*			trans	-83.4	-145	169.7	0	0	0	0	0	114.3
716	P	42.7	Very low	31.3	Very low	120 Å²	120	129.3 Å²	129.3	78%	0.779	77%	0.769	S	S	*	*			cis	-139.2	-178.2	-1.4	41.7	-23.5	0	0	0	116.1
717	S	28.8	Very low	31.4	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	77%	0.771	S	S	*	*			trans	76.2	136	151	75.1	0	0	0	0	117.1
718	S	29.7	Very low	31.4	Very low	100 Å²	100	126.8 Å²	126.8	70%	0.699	76%	0.763	S	S	*	*			cis	-163.8	127.4	32.2	46.9	0	0	0	0	107.8
719	S	29.9	Very low	32.6	Very low	98 Å²	98	120 Å²	120	69%	0.685	75%	0.751	S	S	*	*				55.6	129.7	106	80.9	0	0	0	0	114.3
720	L	29.8	Very low	32.7	Very low	151 Å²	151	120.2 Å²	120.2	79%	0.791	75%	0.747	S	S	*	*			cis	-174.8	143.3	39.1	-119	137.3	0	0	0	109.3
721	S	28.9	Very low	32.9	Very low	82 Å²	82	117.9 Å²	117.9	57%	0.573	74%	0.743	S	S	*	*			trans	45.3	114.6	144.4	57.6	0	0	0	0	121.2
722	T	30	Very low	33	Very low	129 Å²	129	117.5 Å²	117.5	79%	0.791	74%	0.741	S	S	*	*				57.1	160.1	72.5	63.2	0	0	0	0	116
723	P	48.5	Very low	33.3	Very low	106 Å²	106	118.9 Å²	118.9	69%	0.688	75%	0.749	S	S	*	*				-124.5	-173.9	-60.6	35.1	-16.5	0	0	0	108.9
724	T	29.6	Very low	33.5	Very low	128 Å²	128	115.4 Å²	115.4	79%	0.785	75%	0.745	S	S	*	*				171	142.8	87.6	-35.7	0	0	0	0	108.7
725	E	31.2	Very low	33.8	Very low	174 Å²	174	118.6 Å²	118.6	81%	0.813	75%	0.751	S	S	*	*			trans	-57.2	-160	171	-59.3	-178.2	138.1	0	0	115.7
726	P	50.6	Low	34.1	Very low	100 Å²	100	121.6 Å²	121.6	65%	0.649	75%	0.746	S	S	*	*				-128.3	-176.7	-63.9	33	-15.1	0	0	0	110.6
727	L	29.6	Very low	34	Very low	166 Å²	166	125.8 Å²	125.8	87%	0.869	75%	0.746	S	S	*	*			trans	161.1	125.2	131.2	-84.5	156.4	0	0	0	111.7
728	S	31.2	Very low	34.2	Very low	104 Å²	104	131.7 Å²	131.7	73%	0.727	77%	0.769	S	S	*	*			trans	-80.1	-168.9	159.1	53.2	0	0	0	0	110
729	P	50.1	Low	34.4	Very low	103 Å²	103	133.3 Å²	133.3	67%	0.669	77%	0.772	S	S	*	*			cis	-132	-172.3	-19.7	23.3	1.4	0	0	0	112.2
730	T	29.9	Very low	34.7	Very low	124 Å²	124	135.1 Å²	135.1	76%	0.761	78%	0.777	S	S	*	*			trans	131.3	127.7	137.4	59	0	0	0	0	117.9
731	S	30.8	Very low	35	Very low	112 Å²	112	134.2 Å²	134.2	78%	0.783	78%	0.776	S	S	*	*			trans	47.1	143.9	143.9	61	0	0	0	0	120.5
732	S	30.3	Very low	35.3	Very low	101 Å²	101	137.3 Å²	137.3	71%	0.706	79%	0.788	S	S	*	*			cis	-174.6	137.4	40	43.8	0	0	0	0	108.7
733	V	35.1	Very low	35.7	Very low	153 Å²	153	137.8 Å²	137.8	93%	0.927	79%	0.788	S	S	*	*				42	126.3	108.7	-169	0	0	0	0	118.4
734	G	29.9	Very low	34.8	Very low	63 Å²	63	139.9 Å²	139.9	65%	0.649	79%	0.794	S	S	*	*			trans	152	103.2	160.1	0	0	0	0	0	110.7
735	E	35	Very low	35.2	Very low	192 Å²	192	140.8 Å²	140.8	90%	0.897	80%	0.795	S	S	*	*				45.5	124.5	92.5	-83.4	-174.9	167.9	0	0	112.6
736	E	35.6	Very low	35.5	Very low	138 Å²	138	138.2 Å²	138.2	65%	0.645	79%	0.794	S	S	*	*				-172	150.6	52	-118.8	-173.4	145	0	0	111.2
737	R	38.5	Very low	34.2	Very low	207 Å²	207	141.4 Å²	141.4	78%	0.781	81%	0.806	S	S	*	*			trans	41.8	117.1	140.5	-68.7	173.1	169.2	157.4	-9.1	121.6
738	N	34.6	Very low	34.6	Very low	234 Å²	234	139.2 Å²	139.2	100%	1.251	80%	0.8	S	S	*	*				-166	0	90	-119.8	-1.3	0	0	0	111

Retrieved 738 of 738 residues in 290.8 ms (Link to these results)

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