A0A061IKN3_CRIGR Loading...

Heme-binding protein 2

AlphaFold DB , UniProt , Accession A0A061IKN3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Hebp2, Length 205 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	47.8	Very low	39.8	Very low	249 Å²	249	149.6 Å²	149.6	100%	1.227	88%	0.881	S	S	*	*				0	101.5	0	-88.3	176.5	165.3	0	0	107.7
2	A	41	Very low	39.8	Very low	105 Å²	105	145.3 Å²	145.3	87%	0.868	88%	0.875	S	S	*	*			trans	-173.2	126.9	148.2	0	0	0	0	0	106.1
3	E	39.4	Very low	39.5	Very low	195 Å²	195	148.7 Å²	148.7	91%	0.911	88%	0.876	S	S	*	*			trans	-67.9	150.5	-164.3	-71.3	161	89	0	0	114.6
4	E	43.3	Very low	39.3	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	87%	0.865	S	S	*	*			trans	-75.3	143.7	163	-58.2	-167.5	121.1	0	0	109.6	E6	E4-E6 PolarHBondContact O-N 3.1Å
5	P	43	Very low	39.1	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	86%	0.858	S	S	*	*			trans	-84.7	110.9	167	30.7	-24.8	0	0	0	109.5	A7	P5-A7 PolarHBondContact O-N 3.22Å
6	E	43.3	Very low	39.1	Very low	196 Å²	196	139.5 Å²	139.5	92%	0.916	86%	0.856	S	S	*	*			trans	-63.7	122.5	159.1	-69.7	-171.4	117.4	0	0	108.7	E4	E4-E6 PolarHBondContact O-N 3.1Å
7	A	38	Very low	39.6	Very low	103 Å²	103	141.4 Å²	141.4	85%	0.851	85%	0.853	S	S	*	*			trans	-91.3	114.9	170.4	0	0	0	0	0	109.1	P5	P5-A7 PolarHBondContact O-N 3.22Å
8	D	36.5	Very low	40.4	Very low	157 Å²	157	138.7 Å²	138.7	84%	0.84	84%	0.839	S	S	*	*			trans	-56.2	145.5	-179.4	-173.8	25.2	0	0	0	114.1	G10	D8-G10 PolarHBondContact O-N 2.99Å; D8-G10 VanDerWaalsContact O-N 3.16Å
9	L	39.8	Very low	41.9	Very low	162 Å²	162	136.4 Å²	136.4	85%	0.848	84%	0.837	S	S	*	*			trans	-74.2	93.9	-178.6	-75.8	157.6	0	0	0	110.5	A11	L9-A11 PolarHBondContact O-N 3.27Å
10	G	30.8	Very low	43.9	Very low	75 Å²	75	131.9 Å²	131.9	77%	0.773	81%	0.808	S	S	*	*			trans	-83.8	80.2	159.7	0	0	0	0	0	110.5	D8 A12	D8-G10 PolarHBondContact O-N 2.99Å; D8-G10 VanDerWaalsContact O-N 3.16Å; G10-A12 PolarHBondContact O-N 3.5Å
11	A	35.2	Very low	46.1	Very low	95 Å²	95	128.3 Å²	128.3	79%	0.785	78%	0.783	S	S	*	*			trans	-63.3	98.6	166.3	0	0	0	0	0	108.3	L9 E13	L9-A11 PolarHBondContact O-N 3.27Å; A11-E13 PolarHBondContact O-N 2.53Å; A11-E13 VanDerWaalsContact O-N 3.11Å
12	A	39.2	Very low	48.2	Very low	97 Å²	97	120.1 Å²	120.1	80%	0.802	74%	0.742	S	S	*	*			trans	-61.3	114.5	168.4	0	0	0	0	0	107.5	G10 G14	G10-A12 PolarHBondContact O-N 3.5Å; A12-G14 PolarHBondContact O-N 2.74Å
13	E	36.2	Very low	50.7	Low	190 Å²	190	115.6 Å²	115.6	89%	0.888	70%	0.704	S	S	*	*			trans	-42.7	128.3	169.8	-75.4	174.7	84.3	0	0	109.6	A11 A15	A11-E13 PolarHBondContact O-N 2.53Å; A11-E13 VanDerWaalsContact O-N 3.11Å; E13-A15 PolarHBondContact O-N 3.15Å
14	G	36.3	Very low	53.3	Low	71 Å²	71	109.2 Å²	109.2	73%	0.732	69%	0.69	S	S	*	*			trans	-55.6	106.6	177.7	0	0	0	0	0	109.7	A12 V16	A12-G14 PolarHBondContact O-N 2.74Å; G14-V16 PolarHBondContact O-N 2.9Å
15	A	36.7	Very low	55.7	Low	92 Å²	92	104.7 Å²	104.7	76%	0.76	67%	0.666	S	S	*	*			trans	-59.5	105	161.6	0	0	0	0	0	106.3	E13 E17	E13-A15 PolarHBondContact O-N 3.15Å; A15-E17 PolarHBondContact O-N 3.02Å
16	V	39.4	Very low	58.1	Low	136 Å²	136	105.5 Å²	105.5	82%	0.824	66%	0.658	S	S	*	*			trans	-61.7	108.3	165.6	-174.6	0	0	0	0	104.6	G14	G14-V16 PolarHBondContact O-N 2.9Å
17	E	46.9	Very low	60.1	Low	171 Å²	171	99.5 Å²	99.5	80%	0.799	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-53.6	127	173.8	-66	-148.7	130.8	0	0	107.7	A15 A19	A15-E17 PolarHBondContact O-N 3.02Å; E17-A19 PolarHBondContact O-N 2.85Å; E17-A19 VanDerWaalsContact O-N 3.13Å
18	P	54.4	Low	62.2	Low	94 Å²	94	96.7 Å²	96.7	61%	0.61	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-59.5	125.3	-178.3	23.1	-31	0	0	0	108.2	V20	P18-V20 PolarHBondContact O-N 2.97Å
19	A	68	Low	63.8	Low	95 Å²	95	98.8 Å²	98.8	79%	0.785	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-51.3	131.5	178.3	0	0	0	0	0	109.7	E17 E21	E17-A19 PolarHBondContact O-N 2.85Å; E17-A19 VanDerWaalsContact O-N 3.13Å; A19-E21 PolarHBondContact O-N 2.83Å; A19-E21 VanDerWaalsContact O-N 3.11Å
20	V	82.8	Confident	64.8	Low	45 Å²	45	98.9 Å²	98.9	27%	0.273	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-59.4	118.5	177.5	-178.9	0	0	0	0	108.1	P18 A87 L186	P18-V20 PolarHBondContact O-N 2.97Å; V20-A87 HydrophobicContact CG1-CB 3.58Å; V20-L186 HydrophobicContact CB-CD1 4.37Å; V20-L186 HydrophobicContact CB-CD2 4.04Å; V20-L186 HydrophobicContact CB-CG 4.28Å; V20-L186 HydrophobicContact CG2-CD2 4.01Å; V20-L186 HydrophobicContact CG2-CG 4.44Å
21	E	90.8	Very high	66.3	Low	57 Å²	57	97.7 Å²	97.7	27%	0.266	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-66.8	144	-177.5	-167.6	-178.8	160.2	0	0	110.8	A19 T86 A87 Y110 P112 S113	A19-E21 PolarHBondContact O-N 2.83Å; A19-E21 VanDerWaalsContact O-N 3.11Å; E21-T86 HydrophobicContact CB-CG2 4.21Å; E21-T86 WeakPolarHBondContact O-CA 3.42Å; E21-T86 WeakPolarHBondContact O-CB 3.08Å; E21-A87 PolarHBondContact O-N 3.34Å; E21-Y110 HydrophobicContact CG-CE1 4.19Å; E21-Y110 WeakPolarHBondContact OE1-CE1 3.45Å; E21-P112 WeakPolarHBondContact OE2-CA 3.41Å; E21-S113 WeakPolarHBondContact OE1-CA 3.2Å; E21-S113 WeakPolarHBondContact OE1-CB 3.48Å; E21-S113 PolarHBondContact OE1-N 3.36Å; E21-S113 PolarHBondContact OE1-OG 2.96Å; E21-S113 PolarHBondContact OE2-N 3.11Å
22	M	91.8	Very high	67.3	Low	77 Å²	77	99.9 Å²	99.9	38%	0.379	60%	0.598	S	S	.	*			trans	-132.9	152	-178.4	-62.4	-176.2	-65.8	0	0	111.4	G24 A87 Y179 L186 R188	M22-G24 PolarHBondContact O-N 2.94Å; M22-A87 VanDerWaalsContact CA-O 3.25Å; M22-A87 WeakPolarHBondContact CA-O 3.33Å; M22-A87 HydrophobicContact CG-CB 4.39Å; M22-A87 WeakPolarHBondContact CG-O 3.16Å; M22-Y179 HydrophobicContact SD-CE1 4.13Å; M22-L186 HydrophobicContact SD-CD1 3.93Å; M22-R188 PolarHBondContact SD-NH1 2.98Å; M22-R188 VanDerWaalsContact SD-NH1 3.37Å
23	P	93.8	Very high	67.8	Low	11 Å²	11	100.8 Å²	100.8	7%	0.071	60%	0.596	C	S	.	*			trans	-61.7	131	173.2	27.3	-35.8	0	0	0	110.6	Y43 W48 A87 Y110	P23-Y43 HydrophobicContact CB-CD1 4.13Å; P23-Y43 HydrophobicContact CB-CE1 4.08Å; P23-Y43 HydrophobicContact CG-CD1 4.45Å; P23-Y43 HydrophobicContact CG-CE1 3.94Å; P23-W48 HydrophobicContact CB-CH2 4.44Å; P23-W48 HydrophobicContact CB-CZ2 3.92Å; P23-W48 HydrophobicContact CG-CH2 3.93Å; P23-W48 HydrophobicContact CG-CZ2 3.87Å; P23-A87 VanDerWaalsContact CD-O 3.24Å; P23-A87 WeakPolarHBondContact CD-O 3.38Å; P23-Y110 HydrophobicContact CB-CD2 4.01Å; P23-Y110 HydrophobicContact CB-CE2 4.09Å; P23-Y110 HydrophobicContact CB-CG 4.46Å
24	G	92.9	Very high	68.7	Low	60 Å²	60	97.6 Å²	97.6	62%	0.619	58%	0.58	S	S	*	*			trans	-70.5	144.6	175.1	0	0	0	0	0	112	M22 Y43	M22-G24 PolarHBondContact O-N 2.94Å; G24-Y43 WeakPolarHBondContact O-CD1 3.45Å
25	W	94.2	Very high	69.2	Low	88 Å²	88	100.5 Å²	100.5	33%	0.333	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147.8	158.4	174.2	59	-91	0	0	0	110.7	A27 E39 R41 H42 Y43	W25-A27 HydrophobicContact CZ3-CB 4.34Å; W25-E39 WeakPolarHBondContact CH2-OE1 3.26Å; W25-E39 WeakPolarHBondContact CZ2-OE1 3.36Å; W25-R41 HydrophobicContact CB-CB 4.17Å; W25-R41 HydrophobicContact CD2-CB 3.93Å; W25-R41 HydrophobicContact CD2-CG 3.68Å; W25-R41 HydrophobicContact CE3-CB 3.84Å; W25-R41 HydrophobicContact CE3-CG 3.61Å; W25-R41 HydrophobicContact CG-CB 4.06Å; W25-R41 HydrophobicContact CG-CG 4.21Å; W25-R41 HydrophobicContact CH2-CG 4.36Å; W25-R41 HydrophobicContact CZ2-CG 4.39Å; W25-R41 HydrophobicContact CZ3-CG 3.97Å; W25-H42 CarbonylContact C-O 3.57Å; W25-H42 WeakPolarHBondContact CA-O 3.31Å; W25-H42 VanDerWaalsContact CB-O 3.31Å; W25-H42 WeakPolarHBondContact CB-O 3.16Å; W25-Y43 HydrophobicContact CB-CD1 3.68Å; W25-Y43 HydrophobicContact CB-CD2 4.47Å; W25-Y43 HydrophobicContact CB-CE1 3.69Å; W25-Y43 HydrophobicContact CB-CG 4.09Å; W25-Y43 AromaticContact CD1-CE1 3.63Å; W25-Y43 AromaticContact CD1-CZ 3.92Å; W25-Y43 HydrophobicContact CG-CD1 4.43Å; W25-Y43 AromaticContact CG-CE1 3.95Å; W25-Y43 HydrophobicContact CG-CE1 3.95Å
26	E	92.3	Very high	70.1	Confident	144 Å²	144	100 Å²	100	67%	0.673	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.7	146.5	178.2	-63.3	-179.9	161.8	0	0	110.2	H42	E26-H42 PolarHBondContact N-O 2.88Å; E26-H42 WeakPolarHBondContact O-CB 3.07Å; E26-H42 PolarHBondContact O-N 2.85Å
27	A	86.5	Confident	72	Confident	69 Å²	69	94.7 Å²	94.7	57%	0.57	56%	0.559	S	S	*	*			trans	-77.6	137.4	170.7	0	0	0	0	0	108.9	W25 E29	W25-A27 HydrophobicContact CZ3-CB 4.34Å; A27-E29 PolarHBondContact O-N 3.48Å
28	P	81.9	Confident	74	Confident	45 Å²	45	87.9 Å²	87.9	29%	0.292	53%	0.527	S	S	.	.			trans	-66.6	135.8	177.3	-6.6	18.1	0	0	0	111	D30 T31 I40	P28-D30 PolarHBondContact O-N 3.45Å; P28-D30 VanDerWaalsContact O-N 3.1Å; P28-T31 WeakPolarHBondContact CB-OG1 3.42Å; P28-T31 WeakPolarHBondContact CG-OG1 3.4Å; P28-T31 PolarHBondContact O-N 3.12Å; P28-T31 PolarHBondContact O-OG1 3.11Å; P28-I40 WeakPolarHBondContact CD-O 3.47Å; P28-I40 HydrophobicContact CG-CB 3.89Å; P28-I40 HydrophobicContact CG-CG2 3.47Å; P28-I40 VanDerWaalsContact CG-CG2 3.47Å
29	E	69.1	Low	75.8	Confident	200 Å²	200	86.9 Å²	86.9	94%	0.935	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.3	-172.3	-64.2	-173.5	105.7	0	0	114.2	A27	A27-E29 PolarHBondContact O-N 3.48Å
30	D	62	Low	77	Confident	165 Å²	165	83.2 Å²	83.2	88%	0.882	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	17.7	-175.2	-72.4	-55.7	0	0	0	114.5	P28	P28-D30 PolarHBondContact O-N 3.45Å; P28-D30 VanDerWaalsContact O-N 3.1Å
31	T	61.3	Low	77.5	Confident	49 Å²	49	81.4 Å²	81.4	30%	0.301	47%	0.469	S	S	.	.			trans	-105.1	109.2	178.3	-24.1	0	0	0	0	110.9	P28 P33 I40	P28-T31 WeakPolarHBondContact CB-OG1 3.42Å; P28-T31 WeakPolarHBondContact CG-OG1 3.4Å; P28-T31 PolarHBondContact O-N 3.12Å; P28-T31 PolarHBondContact O-OG1 3.11Å; T31-P33 WeakPolarHBondContact O-CD 3.48Å; T31-I40 HydrophobicContact CG2-CD1 3.39Å; T31-I40 HydrophobicContact CG2-CG1 4.09Å
32	D	56.5	Low	77.7	Confident	142 Å²	142	82.5 Å²	82.5	76%	0.759	47%	0.474	S	S	*	.			trans	-59.7	123.5	164.6	-82.7	-63.4	0	0	0	108.7	Q34	D32-Q34 PolarHBondContact O-N 3.4Å
33	P	51.1	Low	77.9	Confident	116 Å²	116	79.7 Å²	79.7	75%	0.753	46%	0.459	S	S	*	.			trans	-62.3	112.2	176.5	22.8	-29.8	0	0	0	108.5	T31 P35	T31-P33 WeakPolarHBondContact O-CD 3.48Å; P33-P35 WeakPolarHBondContact O-CD 3.47Å
34	Q	53.3	Low	78.1	Confident	122 Å²	122	80.9 Å²	80.9	57%	0.57	47%	0.474	S	S	*	.			trans	-88.3	102.1	171	-72.4	-115.4	10.5	0	0	108.2	D32 G36	D32-Q34 PolarHBondContact O-N 3.4Å; Q34-G36 PolarHBondContact O-N 3.43Å; Q34-G36 VanDerWaalsContact O-N 3.15Å
35	P	46.8	Very low	78.2	Confident	132 Å²	132	83.3 Å²	83.3	86%	0.857	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	119.1	178	24.9	-32.6	0	0	0	110.4	P33	P33-P35 WeakPolarHBondContact O-CD 3.47Å
36	G	57.4	Low	78.4	Confident	82 Å²	82	80 Å²	80	85%	0.845	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.2	-2.8	161.8	0	0	0	0	0	117.5	Q34	Q34-G36 PolarHBondContact O-N 3.43Å; Q34-G36 VanDerWaalsContact O-N 3.15Å
37	S	77.7	Confident	78.7	Confident	24 Å²	24	75.4 Å²	75.4	17%	0.168	45%	0.448	C	S	.	.	S	Bend	trans	-109.7	-62.1	-178.3	70.2	0	0	0	0	113.3	R140	S37-R140 PolarHBondContact O-NH1 3.01Å
38	Y	90.1	Very high	79.3	Confident	29 Å²	29	72.6 Å²	72.6	11%	0.114	42%	0.422	C	S	.	.			trans	-161.7	165.8	179.9	65.3	-85.7	0	0	0	111	I40 F138 V139 L158 I161 L162 E165 K167	Y38-I40 HydrophobicContact CD2-CG1 4.2Å; Y38-I40 HydrophobicContact CE2-CD1 4.11Å; Y38-I40 HydrophobicContact CE2-CG1 3.77Å; Y38-F138 HydrophobicContact CD2-CB 4.25Å; Y38-F138 AromaticContact CD2-CD1 3.87Å; Y38-F138 HydrophobicContact CD2-CD1 3.87Å; Y38-F138 AromaticContact CE2-CD1 3.57Å; Y38-F138 HydrophobicContact CE2-CD1 3.57Å; Y38-F138 HydrophobicContact CE2-CE1 4.12Å; Y38-V139 CarbonylContact C-O 2.97Å; Y38-V139 VanDerWaalsContact CA-O 3.26Å; Y38-V139 WeakPolarHBondContact CA-O 2.89Å; Y38-V139 WeakPolarHBondContact CB-O 3.36Å; Y38-L158 VanDerWaalsContact CB-CD1 3.45Å; Y38-L158 HydrophobicContact CD1-CD1 4.36Å; Y38-L158 HydrophobicContact CG-CD1 3.94Å; Y38-I161 HydrophobicContact CD1-CG2 3.65Å; Y38-I161 HydrophobicContact CE1-CG2 3.67Å; Y38-L162 HydrophobicContact CD1-CD2 4.22Å; Y38-L162 HydrophobicContact CD2-CD2 4.09Å; Y38-L162 HydrophobicContact CE1-CD2 3.93Å; Y38-L162 HydrophobicContact CE2-CD2 3.76Å; Y38-L162 HydrophobicContact CG-CD2 4.31Å; Y38-E165 WeakPolarHBondContact CE1-OE2 3.48Å; Y38-E165 PolarHBondContact OH-OE2 3.05Å; Y38-K167 WeakPolarHBondContact OH-CE 3.37Å
39	E	91.6	Very high	80.1	Confident	72 Å²	72	70.5 Å²	70.5	34%	0.336	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.5	175.4	-178.4	176.7	-156.7	0	0	110.1	W25 R41 F138 V139	W25-E39 WeakPolarHBondContact CH2-OE1 3.26Å; W25-E39 WeakPolarHBondContact CZ2-OE1 3.36Å; E39-R41 VanDerWaalsContact CD-NE 3.32Å; E39-R41 HydrophobicContact CG-CG 3.97Å; E39-R41 IonicContact OE1-NE 3.73Å; E39-R41 IonicContact OE2-CZ 3.44Å; E39-R41 IonicContact OE2-NE 3.12Å; E39-R41 PolarHBondContact OE2-NE 2.99Å; E39-R41 IonicContact OE2-NH2 3.88Å; E39-R41 PolarHBondContact OE2-NH2 3.35Å; E39-F138 CarbonylContact O-C 3.57Å; E39-F138 WeakPolarHBondContact O-CA 3.45Å; E39-V139 HydrophobicContact CB-CB 4.33Å; E39-V139 PolarHBondContact N-O 3.2Å; E39-V139 PolarHBondContact O-N 2.96Å
40	I	92.4	Very high	81.5	Confident	18 Å²	18	61 Å²	61	9%	0.092	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.5	171.4	-47	-170.9	0	0	0	108.4	P28 T31 Y38 T136 V137 F138	P28-I40 WeakPolarHBondContact CD-O 3.47Å; P28-I40 HydrophobicContact CG-CB 3.89Å; P28-I40 HydrophobicContact CG-CG2 3.47Å; P28-I40 VanDerWaalsContact CG-CG2 3.47Å; T31-I40 HydrophobicContact CG2-CD1 3.39Å; T31-I40 HydrophobicContact CG2-CG1 4.09Å; Y38-I40 HydrophobicContact CD2-CG1 4.2Å; Y38-I40 HydrophobicContact CE2-CD1 4.11Å; Y38-I40 HydrophobicContact CE2-CG1 3.77Å; I40-T136 HydrophobicContact CG2-CG2 3.47Å; I40-T136 VanDerWaalsContact CG2-CG2 3.47Å; I40-V137 WeakPolarHBondContact CA-O 3.38Å; I40-F138 HydrophobicContact CD1-CD1 4.14Å; I40-F138 HydrophobicContact CD1-CE1 3.79Å; I40-F138 HydrophobicContact CG1-CD1 3.95Å; I40-F138 HydrophobicContact CG1-CE1 4.12Å
41	R	94.3	Very high	83.2	Confident	7 Å²	7	53.1 Å²	53.1	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.4	178.7	-58.2	-172.6	-174	154	8.3	110.1	W25 E39 Y43 T136 V137 V139 E191	W25-R41 HydrophobicContact CB-CB 4.17Å; W25-R41 HydrophobicContact CD2-CB 3.93Å; W25-R41 HydrophobicContact CD2-CG 3.68Å; W25-R41 HydrophobicContact CE3-CB 3.84Å; W25-R41 HydrophobicContact CE3-CG 3.61Å; W25-R41 HydrophobicContact CG-CB 4.06Å; W25-R41 HydrophobicContact CG-CG 4.21Å; W25-R41 HydrophobicContact CH2-CG 4.36Å; W25-R41 HydrophobicContact CZ2-CG 4.39Å; W25-R41 HydrophobicContact CZ3-CG 3.97Å; E39-R41 VanDerWaalsContact CD-NE 3.32Å; E39-R41 HydrophobicContact CG-CG 3.97Å; E39-R41 IonicContact OE1-NE 3.73Å; E39-R41 IonicContact OE2-CZ 3.44Å; E39-R41 IonicContact OE2-NE 3.12Å; E39-R41 PolarHBondContact OE2-NE 2.99Å; E39-R41 IonicContact OE2-NH2 3.88Å; E39-R41 PolarHBondContact OE2-NH2 3.35Å; R41-Y43 HydrophobicContact CB-CD2 4.29Å; R41-Y43 HydrophobicContact CB-CE2 3.83Å; R41-Y43 PolarHBondContact NH1-OH 3.09Å; R41-T136 WeakPolarHBondContact O-CA 3.22Å; R41-V137 HydrophobicContact CB-CG2 4.22Å; R41-V137 PolarHBondContact N-O 3.25Å; R41-V137 PolarHBondContact O-N 2.78Å; R41-V139 HydrophobicContact CB-CG2 4.39Å; R41-V139 HydrophobicContact CG-CG2 3.97Å; R41-E191 IonicContact CZ-OE1 3.77Å; R41-E191 IonicContact CZ-OE2 3.15Å; R41-E191 VanDerWaalsContact NH1-CD 3.32Å; R41-E191 IonicContact NH1-OE1 3.38Å; R41-E191 PolarHBondContact NH1-OE1 2.68Å; R41-E191 VanDerWaalsContact NH1-OE1 3.07Å; R41-E191 IonicContact NH1-OE2 3.76Å; R41-E191 PolarHBondContact NH1-OE2 2.81Å; R41-E191 IonicContact NH2-OE1 2.68Å; R41-E191 PolarHBondContact NH2-OE1 2.75Å; R41-E191 IonicContact NH2-OE2 2.81Å
42	H	95.1	Very high	84.9	Confident	80 Å²	80	53.5 Å²	53.5	37%	0.37	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	108.8	168.4	-173.6	72.2	0	0	0	109.5	W25 E26 T136	W25-H42 CarbonylContact C-O 3.57Å; W25-H42 WeakPolarHBondContact CA-O 3.31Å; W25-H42 VanDerWaalsContact CB-O 3.31Å; W25-H42 WeakPolarHBondContact CB-O 3.16Å; E26-H42 PolarHBondContact N-O 2.88Å; E26-H42 WeakPolarHBondContact O-CB 3.07Å; E26-H42 PolarHBondContact O-N 2.85Å; H42-T136 PolarHBondContact ND1-OG1 2.92Å
43	Y	96.4	Very high	86.8	Confident	18 Å²	18	47.9 Å²	47.9	7%	0.071	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	130.8	173.6	-71.2	-83	0	0	0	109.8	P23 G24 W25 R41 G134 M135 V137 W193	P23-Y43 HydrophobicContact CB-CD1 4.13Å; P23-Y43 HydrophobicContact CB-CE1 4.08Å; P23-Y43 HydrophobicContact CG-CD1 4.45Å; P23-Y43 HydrophobicContact CG-CE1 3.94Å; G24-Y43 WeakPolarHBondContact O-CD1 3.45Å; W25-Y43 HydrophobicContact CB-CD1 3.68Å; W25-Y43 HydrophobicContact CB-CD2 4.47Å; W25-Y43 HydrophobicContact CB-CE1 3.69Å; W25-Y43 HydrophobicContact CB-CG 4.09Å; W25-Y43 AromaticContact CD1-CE1 3.63Å; W25-Y43 AromaticContact CD1-CZ 3.92Å; W25-Y43 HydrophobicContact CG-CD1 4.43Å; W25-Y43 AromaticContact CG-CE1 3.95Å; W25-Y43 HydrophobicContact CG-CE1 3.95Å; R41-Y43 HydrophobicContact CB-CD2 4.29Å; R41-Y43 HydrophobicContact CB-CE2 3.83Å; R41-Y43 PolarHBondContact NH1-OH 3.09Å; Y43-G134 CarbonylContact O-C 3.4Å; Y43-G134 WeakPolarHBondContact O-CA 3.48Å; Y43-M135 PolarHBondContact N-O 3.42Å; Y43-M135 PolarHBondContact O-N 2.76Å; Y43-V137 HydrophobicContact CD2-CG2 3.84Å; Y43-V137 HydrophobicContact CE2-CG2 3.59Å; Y43-W193 HydrophobicContact CE1-CH2 4.49Å; Y43-W193 HydrophobicContact CE2-CE3 4.43Å; Y43-W193 AromaticContact CE2-CH2 3.94Å; Y43-W193 HydrophobicContact CE2-CH2 3.94Å; Y43-W193 HydrophobicContact CE2-CZ2 4.4Å; Y43-W193 AromaticContact CE2-CZ3 3.96Å; Y43-W193 HydrophobicContact CE2-CZ3 3.96Å; Y43-W193 AromaticContact CZ-CH2 3.73Å; Y43-W193 WeakPolarHBondContact OH-CH2 3.38Å; Y43-W193 WeakPolarHBondContact OH-CZ2 3.4Å
44	G	96.3	Very high	88.9	Confident	37 Å²	37	48.7 Å²	48.7	38%	0.381	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-70.7	169	169	0	0	0	0	0	112.4
45	P	96.9	Very high	90.9	Very high	110 Å²	110	43.8 Å²	43.8	71%	0.714	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-64.6	137	175.3	28.5	-34.3	0	0	0	110.8	R132	P45-R132 VanDerWaalsContact CA-O 3.3Å; P45-R132 WeakPolarHBondContact CA-O 3.33Å
46	A	97.8	Very high	92.9	Very high	18 Å²	18	43.4 Å²	43.4	15%	0.149	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.2	177.2	0	0	0	0	0	112.4	Y110 R132	A46-Y110 HydrophobicContact CB-CD2 4.49Å; A46-Y110 HydrophobicContact CB-CE2 3.81Å; A46-R132 PolarHBondContact N-O 2.86Å; A46-R132 WeakPolarHBondContact O-CB 3.17Å; A46-R132 PolarHBondContact O-N 2.94Å
47	K	98.4	Very high	94.6	Very high	49 Å²	49	43.4 Å²	43.4	21%	0.213	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	137.5	173.1	-63.7	-166.8	-178.1	62.8	0	111.6	V111 Q116 P119 I129 E130 D131	K47-V111 HydrophobicContact CB-CB 4.41Å; K47-V111 HydrophobicContact CB-CG2 4.29Å; K47-V111 WeakPolarHBondContact O-CB 3.15Å; K47-V111 PolarHBondContact O-N 2.93Å; K47-Q116 WeakPolarHBondContact CD-O 3.36Å; K47-Q116 PolarHBondContact NZ-O 3.47Å; K47-Q116 PolarHBondContact O-NE2 3.5Å; K47-P119 HydrophobicContact CD-CG 3.72Å; K47-I129 HydrophobicContact CB-CG2 4.18Å; K47-I129 HydrophobicContact CD-CG2 3.92Å; K47-I129 HydrophobicContact CG-CG2 4.36Å; K47-E130 WeakPolarHBondContact CA-O 3.47Å; K47-D131 WeakPolarHBondContact CE-OD1 3.4Å; K47-D131 WeakPolarHBondContact CG-OD1 3.45Å; K47-D131 IonicContact NZ-OD1 2.78Å
48	W	98.5	Very high	95.4	Very high	9 Å²	9	43.6 Å²	43.6	3%	0.034	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	148.8	174	-66.7	71.6	0	0	0	108.7	P23 T90 L109 Y110 I129 E130	P23-W48 HydrophobicContact CB-CH2 4.44Å; P23-W48 HydrophobicContact CB-CZ2 3.92Å; P23-W48 HydrophobicContact CG-CH2 3.93Å; P23-W48 HydrophobicContact CG-CZ2 3.87Å; W48-T90 HydrophobicContact CH2-CG2 3.72Å; W48-T90 HydrophobicContact CZ3-CG2 3.7Å; W48-L109 CarbonylContact C-O 3.58Å; W48-L109 WeakPolarHBondContact CA-O 3.36Å; W48-Y110 HydrophobicContact CD2-CD2 4.4Å; W48-Y110 AromaticContact CE2-CD2 3.86Å; W48-Y110 HydrophobicContact CH2-CD2 4.43Å; W48-Y110 AromaticContact CZ2-CD2 3.89Å; W48-Y110 HydrophobicContact CZ2-CD2 3.89Å; W48-Y110 HydrophobicContact CZ2-CG 4.43Å; W48-I129 CarbonylContact O-C 3.49Å; W48-I129 WeakPolarHBondContact O-CA 3.42Å; W48-E130 HydrophobicContact CB-CB 4.38Å; W48-E130 PolarHBondContact N-O 2.89Å; W48-E130 PolarHBondContact O-N 3.47Å
49	V	98.3	Very high	95.5	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.6	163.8	62.3	0	0	0	0	107.7	L69 Y72 S108 L109 P122 V127 I129	V49-L69 HydrophobicContact CG1-CD2 4.32Å; V49-L69 HydrophobicContact CG2-CD2 3.99Å; V49-Y72 HydrophobicContact CB-CD1 4.03Å; V49-Y72 HydrophobicContact CB-CE1 3.81Å; V49-Y72 HydrophobicContact CG1-CD1 3.79Å; V49-Y72 HydrophobicContact CG1-CE1 3.82Å; V49-Y72 HydrophobicContact CG2-CD1 3.66Å; V49-Y72 HydrophobicContact CG2-CD2 4.27Å; V49-Y72 HydrophobicContact CG2-CE1 3.77Å; V49-Y72 HydrophobicContact CG2-CE2 4.37Å; V49-Y72 HydrophobicContact CG2-CG 3.92Å; V49-S108 CarbonylContact O-C 3.55Å; V49-S108 VanDerWaalsContact O-CA 3.24Å; V49-S108 WeakPolarHBondContact O-CA 3.4Å; V49-L109 HydrophobicContact CG1-CB 3.86Å; V49-L109 PolarHBondContact N-O 2.9Å; V49-L109 PolarHBondContact O-N 2.87Å; V49-P122 HydrophobicContact CG2-CG 4.45Å; V49-V127 HydrophobicContact CG2-CG1 3.45Å; V49-V127 VanDerWaalsContact CG2-CG1 3.45Å; V49-I129 HydrophobicContact CB-CD1 4.14Å; V49-I129 HydrophobicContact CG2-CD1 4.19Å
50	S	98.6	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.7	-167.9	-66.6	0	0	0	0	111.9	I107 S108 V127 F128 E130	S50-I107 CarbonylContact C-O 3.56Å; S50-I107 WeakPolarHBondContact CA-O 3.21Å; S50-S108 WeakPolarHBondContact OG-CB 3.28Å; S50-S108 PolarHBondContact OG-OG 2.79Å; S50-V127 WeakPolarHBondContact O-CA 3.46Å; S50-F128 PolarHBondContact N-O 2.89Å; S50-F128 WeakPolarHBondContact O-CD1 3.28Å; S50-F128 PolarHBondContact O-N 3.14Å; S50-E130 PolarHBondContact OG-OE2 3.22Å
51	T	98.4	Very high	95.7	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	145.8	172.2	-171.7	0	0	0	0	109.4	K68 L69 T106 I107 D126	T51-K68 HydrophobicContact CG2-CB 4.5Å; T51-K68 HydrophobicContact CG2-CD 4.44Å; T51-L69 HydrophobicContact CG2-CD2 3.97Å; T51-L69 HydrophobicContact CG2-CG 4.07Å; T51-T106 CarbonylContact O-C 3.52Å; T51-T106 WeakPolarHBondContact O-CA 3.38Å; T51-I107 HydrophobicContact CG2-CB 4.35Å; T51-I107 PolarHBondContact N-O 3.3Å; T51-I107 PolarHBondContact O-N 3.21Å; T51-D126 WeakPolarHBondContact CB-O 3.23Å; T51-D126 PolarHBondContact OG1-O 3.44Å
52	C	97.6	Very high	95.7	Very high	57 Å²	57	43.2 Å²	43.2	39%	0.385	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.3	-179.1	-59	0	0	0	0	110.9	I105 T106	C52-I105 WeakPolarHBondContact CA-O 3.26Å; C52-T106 PolarHBondContact SG-OG1 2.91Å; C52-T106 VanDerWaalsContact SG-OG1 3.4Å
53	V	96.5	Very high	95.6	Very high	23 Å²	23	45 Å²	45	14%	0.139	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122.9	174.6	-176.9	0	0	0	0	108.3	A61 T64 I105 I107	V53-A61 HydrophobicContact CB-CB 4.17Å; V53-A61 HydrophobicContact CG1-CB 3.92Å; V53-T64 HydrophobicContact CG2-CG2 4.5Å; V53-I105 PolarHBondContact N-O 3.2Å; V53-I105 PolarHBondContact O-N 2.94Å; V53-I107 HydrophobicContact CB-CD1 4.19Å; V53-I107 HydrophobicContact CG2-CD1 3.84Å
54	E	95.4	Very high	95.5	Very high	133 Å²	133	47 Å²	47	62%	0.621	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	122	168.2	-65.1	-177	147.2	0	0	108.3	E102 S103	E54-E102 HydrophobicContact CB-CB 4.27Å; E54-S103 WeakPolarHBondContact CA-O 3.41Å
55	S	93.8	Very high	95.5	Very high	19 Å²	19	45.2 Å²	45.2	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	154.5	-177.4	-175.5	0	0	0	0	111.9	D57 S103	S55-D57 PolarHBondContact OG-N 3.39Å; S55-D57 PolarHBondContact OG-O 3.35Å; S55-S103 PolarHBondContact N-O 2.9Å; S55-S103 PolarHBondContact O-N 2.84Å
56	M	90.3	Very high	95.4	Very high	125 Å²	125	40.4 Å²	40.4	62%	0.616	22%	0.215	S	C	*	.	S	Bend	trans	-91.7	-18.6	163.7	-62.4	-174.7	-171.3	0	0	112.6	F100 E102	M56-F100 VanDerWaalsContact CE-C 3.43Å; M56-F100 WeakPolarHBondContact CE-O 3.5Å; M56-E102 HydrophobicContact CE-CG 4.18Å; M56-E102 HydrophobicContact CG-CG 4.07Å
57	D	93.1	Very high	95.3	Very high	82 Å²	82	43.4 Å²	43.4	44%	0.439	23%	0.232	S	C	.	.			trans	-102	104	178	-178	-5.8	0	0	0	109.3	S55 D59 S60 A61	S55-D57 PolarHBondContact OG-N 3.39Å; S55-D57 PolarHBondContact OG-O 3.35Å; D57-D59 PolarHBondContact OD1-N 2.95Å; D57-S60 PolarHBondContact OD1-N 2.78Å; D57-S60 WeakPolarHBondContact OD2-CB 3.41Å; D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 2.85Å; D57-A61 VanDerWaalsContact O-N 3.1Å
58	W	93.4	Very high	95.2	Very high	27 Å²	27	43.3 Å²	43.3	10%	0.102	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-41.4	178.9	179.5	89.2	0	0	0	111.8	S60 A61 I62 S91 I105 S146 N151 T176	W58-S60 VanDerWaalsContact C-N 3.35Å; W58-S60 PolarHBondContact O-N 2.83Å; W58-A61 PolarHBondContact O-N 2.94Å; W58-I62 HydrophobicContact CD2-CD1 4.45Å; W58-I62 HydrophobicContact CD2-CG1 3.76Å; W58-I62 VanDerWaalsContact CE2-CG1 3.45Å; W58-I62 HydrophobicContact CE3-CG1 4Å; W58-I62 HydrophobicContact CG-CG1 4.45Å; W58-I62 HydrophobicContact CH2-CD1 4.11Å; W58-I62 HydrophobicContact CH2-CG1 3.67Å; W58-I62 HydrophobicContact CZ2-CD1 3.47Å; W58-I62 VanDerWaalsContact CZ2-CD1 3.47Å; W58-I62 HydrophobicContact CZ2-CG1 3.41Å; W58-I62 VanDerWaalsContact CZ2-CG1 3.41Å; W58-I62 HydrophobicContact CZ3-CG1 3.96Å; W58-I62 VanDerWaalsContact O-CG1 3.28Å; W58-I62 WeakPolarHBondContact O-CG1 3.33Å; W58-I62 PolarHBondContact O-N 3.26Å; W58-S91 PolarHBondContact NE1-OG 2.63Å; W58-I105 HydrophobicContact CB-CD1 4.3Å; W58-I105 HydrophobicContact CG-CD1 4.48Å; W58-S146 VanDerWaalsContact CH2-OG 3.23Å; W58-S146 WeakPolarHBondContact CH2-OG 3.48Å; W58-N151 WeakPolarHBondContact CH2-ND2 3.28Å; W58-N151 WeakPolarHBondContact CZ2-ND2 3.49Å; W58-T176 HydrophobicContact CZ2-CG2 3.91Å; W58-T176 WeakPolarHBondContact CZ2-OG1 3.45Å
59	D	92.4	Very high	95.1	Very high	54 Å²	54	42.9 Å²	42.9	29%	0.289	23%	0.23	S	C	.	.	H	α-helix	trans	-65	-41.5	-176.3	-69.2	-76.4	0	0	0	111	D57 Q63 S147 G148	D57-D59 PolarHBondContact OD1-N 2.95Å; D59-Q63 WeakPolarHBondContact O-CG 3.3Å; D59-Q63 PolarHBondContact O-N 3.16Å; D59-S147 WeakPolarHBondContact OD1-CA 3.24Å; D59-G148 PolarHBondContact OD2-N 2.78Å
60	S	93.4	Very high	94.9	Very high	53 Å²	53	45 Å²	45	37%	0.371	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-40	173.4	-174.5	0	0	0	0	112.8	D57 W58 I62 Q63 T64	D57-S60 PolarHBondContact OD1-N 2.78Å; D57-S60 WeakPolarHBondContact OD2-CB 3.41Å; W58-S60 VanDerWaalsContact C-N 3.35Å; W58-S60 PolarHBondContact O-N 2.83Å; S60-I62 VanDerWaalsContact C-N 3.35Å; S60-I62 PolarHBondContact O-N 3.35Å; S60-Q63 PolarHBondContact O-N 3.07Å; S60-T64 WeakPolarHBondContact O-CB 3.29Å; S60-T64 PolarHBondContact O-N 3.37Å; S60-T64 PolarHBondContact O-OG1 3.01Å
61	A	94.9	Very high	94.8	Very high	1 Å²	1	48 Å²	48	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-41.2	178.1	0	0	0	0	0	111.9	V53 D57 W58 T64 G65 I105	V53-A61 HydrophobicContact CB-CB 4.17Å; V53-A61 HydrophobicContact CG1-CB 3.92Å; D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 2.85Å; D57-A61 VanDerWaalsContact O-N 3.1Å; W58-A61 PolarHBondContact O-N 2.94Å; A61-T64 PolarHBondContact O-N 2.82Å; A61-G65 PolarHBondContact O-N 3.49Å; A61-I105 HydrophobicContact CB-CB 4.31Å; A61-I105 HydrophobicContact CB-CD1 3.57Å; A61-I105 HydrophobicContact CB-CG2 4.37Å
62	I	94.3	Very high	94.7	Very high	10 Å²	10	48 Å²	48	5%	0.051	26%	0.257	C	S	.	.	H	α-helix	trans	-62.5	-47.4	176.4	-66.1	-70.7	0	0	0	111.5	W58 S60 T64 G65 F66 S91 I107	W58-I62 HydrophobicContact CD2-CD1 4.45Å; W58-I62 HydrophobicContact CD2-CG1 3.76Å; W58-I62 VanDerWaalsContact CE2-CG1 3.45Å; W58-I62 HydrophobicContact CE3-CG1 4Å; W58-I62 HydrophobicContact CG-CG1 4.45Å; W58-I62 HydrophobicContact CH2-CD1 4.11Å; W58-I62 HydrophobicContact CH2-CG1 3.67Å; W58-I62 HydrophobicContact CZ2-CD1 3.47Å; W58-I62 VanDerWaalsContact CZ2-CD1 3.47Å; W58-I62 HydrophobicContact CZ2-CG1 3.41Å; W58-I62 VanDerWaalsContact CZ2-CG1 3.41Å; W58-I62 HydrophobicContact CZ3-CG1 3.96Å; W58-I62 VanDerWaalsContact O-CG1 3.28Å; W58-I62 WeakPolarHBondContact O-CG1 3.33Å; W58-I62 PolarHBondContact O-N 3.26Å; S60-I62 VanDerWaalsContact C-N 3.35Å; S60-I62 PolarHBondContact O-N 3.35Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 3.32Å; I62-G65 PolarHBondContact O-N 2.88Å; I62-F66 WeakPolarHBondContact O-CB 3.49Å; I62-F66 PolarHBondContact O-N 2.73Å; I62-S91 VanDerWaalsContact CD1-CB 3.43Å; I62-I107 HydrophobicContact CD1-CG1 4.03Å
63	Q	92.6	Very high	94.6	Very high	117 Å²	117	45.7 Å²	45.7	55%	0.547	24%	0.241	S	C	.	.	H	α-helix	trans	-62.6	-44.1	179.3	-69.6	177	25.2	0	0	111.7	D59 S60 T67	D59-Q63 WeakPolarHBondContact O-CG 3.3Å; D59-Q63 PolarHBondContact O-N 3.16Å; S60-Q63 PolarHBondContact O-N 3.07Å; Q63-T67 WeakPolarHBondContact O-CB 3.08Å; Q63-T67 PolarHBondContact O-N 3.04Å; Q63-T67 PolarHBondContact O-OG1 3.33Å
64	T	94.9	Very high	94.6	Very high	61 Å²	61	49.2 Å²	49.2	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-63.5	-50.1	178.3	-58.8	0	0	0	0	111	V53 S60 A61 I62 T67 K68	V53-T64 HydrophobicContact CG2-CG2 4.5Å; S60-T64 WeakPolarHBondContact O-CB 3.29Å; S60-T64 PolarHBondContact O-N 3.37Å; S60-T64 PolarHBondContact O-OG1 3.01Å; A61-T64 PolarHBondContact O-N 2.82Å; I62-T64 VanDerWaalsContact C-N 3.35Å; I62-T64 PolarHBondContact O-N 3.32Å; T64-T67 PolarHBondContact O-N 3.36Å; T64-K68 PolarHBondContact O-N 3.36Å
65	G	96.1	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-48.8	179.1	0	0	0	0	0	111.9	A61 I62 T67 K68 L69	A61-G65 PolarHBondContact O-N 3.49Å; I62-G65 PolarHBondContact O-N 2.88Å; G65-T67 VanDerWaalsContact C-N 3.28Å; G65-T67 PolarHBondContact O-N 3.05Å; G65-K68 PolarHBondContact O-N 3.49Å; G65-K68 VanDerWaalsContact O-N 3.13Å; G65-L69 WeakPolarHBondContact O-CG 3.42Å; G65-L69 PolarHBondContact O-N 2.85Å
66	F	94.7	Very high	94.8	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.039	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-39.1	178.7	-179.1	-95	0	0	0	112.3	I62 K68 L69 N70 L85 V89 L109 P182 F183	I62-F66 WeakPolarHBondContact O-CB 3.49Å; I62-F66 PolarHBondContact O-N 2.73Å; F66-K68 VanDerWaalsContact C-N 3.33Å; F66-K68 PolarHBondContact O-N 3.07Å; F66-L69 PolarHBondContact O-N 3.39Å; F66-N70 HydrophobicContact CD1-CB 4.43Å; F66-N70 HydrophobicContact CE1-CB 4.08Å; F66-N70 HydrophobicContact CZ-CB 4.44Å; F66-N70 VanDerWaalsContact O-CB 3.24Å; F66-N70 WeakPolarHBondContact O-CB 3.45Å; F66-N70 PolarHBondContact O-N 3.28Å; F66-L85 HydrophobicContact CE2-CD1 4.27Å; F66-L85 HydrophobicContact CZ-CD1 4.43Å; F66-V89 HydrophobicContact CD2-CG1 4.1Å; F66-V89 HydrophobicContact CD2-CG2 3.88Å; F66-V89 HydrophobicContact CE2-CG2 3.87Å; F66-L109 HydrophobicContact CD2-CD2 4.43Å; F66-L109 HydrophobicContact CE2-CD1 4.32Å; F66-L109 HydrophobicContact CE2-CD2 4.23Å; F66-P182 HydrophobicContact CB-CG 3.92Å; F66-P182 HydrophobicContact CD1-CG 3.49Å; F66-P182 VanDerWaalsContact CD1-CG 3.49Å; F66-P182 HydrophobicContact CD2-CG 4.07Å; F66-P182 HydrophobicContact CE1-CG 4.02Å; F66-P182 HydrophobicContact CG-CG 3.52Å; F66-P182 HydrophobicContact CZ-CG 4.49Å; F66-F183 HydrophobicContact CD1-CD2 4.44Å; F66-F183 HydrophobicContact CD1-CE2 4.21Å; F66-F183 AromaticContact CE1-CD2 3.68Å; F66-F183 HydrophobicContact CE1-CD2 3.68Å; F66-F183 AromaticContact CE1-CE2 3.63Å; F66-F183 HydrophobicContact CE1-CE2 3.63Å; F66-F183 HydrophobicContact CZ-CD2 4.12Å; F66-F183 HydrophobicContact CZ-CE2 4.49Å
67	T	94.8	Very high	95.1	Very high	81 Å²	81	40.8 Å²	40.8	50%	0.497	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-44.8	177.3	-58.9	0	0	0	0	111.3	Q63 T64 G65 N70 D71	Q63-T67 WeakPolarHBondContact O-CB 3.08Å; Q63-T67 PolarHBondContact O-N 3.04Å; Q63-T67 PolarHBondContact O-OG1 3.33Å; T64-T67 PolarHBondContact O-N 3.36Å; G65-T67 VanDerWaalsContact C-N 3.28Å; G65-T67 PolarHBondContact O-N 3.05Å; T67-N70 PolarHBondContact O-N 2.76Å; T67-D71 PolarHBondContact O-N 2.49Å
68	K	96.4	Very high	95.3	Very high	46 Å²	46	42.2 Å²	42.2	20%	0.2	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-44.2	176.7	-61.6	178.6	-174.9	-178.8	0	112.2	T51 T64 G65 F66 N70 D71 Y72 D126 V127	T51-K68 HydrophobicContact CG2-CB 4.5Å; T51-K68 HydrophobicContact CG2-CD 4.44Å; T64-K68 PolarHBondContact O-N 3.36Å; G65-K68 PolarHBondContact O-N 3.49Å; G65-K68 VanDerWaalsContact O-N 3.13Å; F66-K68 VanDerWaalsContact C-N 3.33Å; F66-K68 PolarHBondContact O-N 3.07Å; K68-N70 VanDerWaalsContact C-N 3.28Å; K68-N70 PolarHBondContact O-N 3.22Å; K68-D71 PolarHBondContact O-N 3.49Å; K68-Y72 PolarHBondContact O-N 3.35Å; K68-Y72 VanDerWaalsContact O-N 3.13Å; K68-D126 WeakPolarHBondContact CE-OD2 3.42Å; K68-D126 IonicContact NZ-OD2 2.71Å; K68-D126 PolarHBondContact NZ-OD2 3.22Å; K68-V127 HydrophobicContact CB-CG2 3.98Å
69	L	96.6	Very high	95.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.6	-33.5	177.5	-58.1	-175.5	0	0	0	111.8	V49 T51 G65 F66 Y72 I73 I107 L109 V127	V49-L69 HydrophobicContact CG1-CD2 4.32Å; V49-L69 HydrophobicContact CG2-CD2 3.99Å; T51-L69 HydrophobicContact CG2-CD2 3.97Å; T51-L69 HydrophobicContact CG2-CG 4.07Å; G65-L69 WeakPolarHBondContact O-CG 3.42Å; G65-L69 PolarHBondContact O-N 2.85Å; F66-L69 PolarHBondContact O-N 3.39Å; L69-Y72 WeakPolarHBondContact O-CB 3.24Å; L69-Y72 PolarHBondContact O-N 3.09Å; L69-I73 PolarHBondContact O-N 3.04Å; L69-I73 VanDerWaalsContact O-N 3.11Å; L69-I107 HydrophobicContact CD1-CB 4.36Å; L69-I107 HydrophobicContact CD1-CG2 3.87Å; L69-L109 HydrophobicContact CB-CD1 3.68Å; L69-L109 HydrophobicContact CB-CG 4.08Å; L69-L109 HydrophobicContact CD1-CB 4.38Å; L69-L109 HydrophobicContact CD1-CD1 4.41Å; L69-L109 HydrophobicContact CD1-CG 3.88Å; L69-V127 HydrophobicContact CD2-CG1 4Å
70	N	94.6	Very high	95.7	Very high	47 Å²	47	50.6 Å²	50.6	25%	0.251	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-43.2	174.4	-176.9	74.6	0	0	0	111.1	F66 T67 K68 Y72 I73 Q74	F66-N70 HydrophobicContact CD1-CB 4.43Å; F66-N70 HydrophobicContact CE1-CB 4.08Å; F66-N70 HydrophobicContact CZ-CB 4.44Å; F66-N70 VanDerWaalsContact O-CB 3.24Å; F66-N70 WeakPolarHBondContact O-CB 3.45Å; F66-N70 PolarHBondContact O-N 3.28Å; T67-N70 PolarHBondContact O-N 2.76Å; K68-N70 VanDerWaalsContact C-N 3.28Å; K68-N70 PolarHBondContact O-N 3.22Å; N70-Y72 VanDerWaalsContact C-N 3.28Å; N70-Y72 PolarHBondContact O-N 2.93Å; N70-I73 WeakPolarHBondContact O-CG1 3.39Å; N70-I73 PolarHBondContact O-N 2.84Å; N70-Q74 WeakPolarHBondContact O-CB 3.42Å; N70-Q74 VanDerWaalsContact O-CG 3.22Å; N70-Q74 WeakPolarHBondContact O-CG 3.44Å; N70-Q74 PolarHBondContact O-N 2.84Å
71	D	96.3	Very high	95.8	Very high	63 Å²	63	51.4 Å²	51.4	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-42.7	174.5	-78.2	-0	0	0	0	111.4	T67 K68 Q74 G75 K76	T67-D71 PolarHBondContact O-N 2.49Å; K68-D71 PolarHBondContact O-N 3.49Å; D71-Q74 PolarHBondContact O-N 2.96Å; D71-G75 PolarHBondContact O-N 2.96Å; D71-K76 HydrophobicContact CB-CB 4.13Å; D71-K76 HydrophobicContact CB-CD 3.75Å; D71-K76 WeakPolarHBondContact O-CB 3.44Å; D71-K76 PolarHBondContact O-N 2.97Å; D71-K76 IonicContact OD2-NZ 3.39Å; D71-K76 PolarHBondContact OD2-NZ 3.45Å
72	Y	96.9	Very high	95.8	Very high	1 Å²	1	58.7 Å²	58.7	0%	0.004	29%	0.288	C	S	.	.	H	α-helix	trans	-57.2	-50.7	174.9	166.9	-94.3	0	0	0	112.4	V49 K68 L69 N70 Q74 G75 N77 M83 P120 P122	V49-Y72 HydrophobicContact CB-CD1 4.03Å; V49-Y72 HydrophobicContact CB-CE1 3.81Å; V49-Y72 HydrophobicContact CG1-CD1 3.79Å; V49-Y72 HydrophobicContact CG1-CE1 3.82Å; V49-Y72 HydrophobicContact CG2-CD1 3.66Å; V49-Y72 HydrophobicContact CG2-CD2 4.27Å; V49-Y72 HydrophobicContact CG2-CE1 3.77Å; V49-Y72 HydrophobicContact CG2-CE2 4.37Å; V49-Y72 HydrophobicContact CG2-CG 3.92Å; K68-Y72 PolarHBondContact O-N 3.35Å; K68-Y72 VanDerWaalsContact O-N 3.13Å; L69-Y72 WeakPolarHBondContact O-CB 3.24Å; L69-Y72 PolarHBondContact O-N 3.09Å; N70-Y72 VanDerWaalsContact C-N 3.28Å; N70-Y72 PolarHBondContact O-N 2.93Å; Y72-Q74 PolarHBondContact O-N 3.11Å; Y72-G75 PolarHBondContact O-N 3.37Å; Y72-N77 HydrophobicContact CD2-CB 3.73Å; Y72-N77 HydrophobicContact CE2-CB 3.59Å; Y72-N77 PolarHBondContact O-ND2 2.87Å; Y72-M83 HydrophobicContact CD1-SD 4.22Å; Y72-M83 HydrophobicContact CE1-CE 3.9Å; Y72-M83 HydrophobicContact CE1-SD 3.38Å; Y72-M83 WeakPolarHBondContact CE1-SD 3.35Å; Y72-P120 HydrophobicContact CE2-CG 4.41Å; Y72-P120 VanDerWaalsContact CE2-O 3.26Å; Y72-P120 WeakPolarHBondContact CE2-O 3.23Å; Y72-P120 WeakPolarHBondContact OH-CD 3.4Å; Y72-P120 WeakPolarHBondContact OH-CG 3.28Å; Y72-P120 PolarHBondContact OH-O 2.89Å; Y72-P122 HydrophobicContact CD2-CB 3.9Å; Y72-P122 HydrophobicContact CD2-CG 3.92Å; Y72-P122 HydrophobicContact CE2-CB 4.17Å; Y72-P122 HydrophobicContact CE2-CG 3.77Å
73	I	94.7	Very high	95.7	Very high	7 Å²	7	59 Å²	59	4%	0.036	29%	0.289	C	S	.	.	H	α-helix	trans	-69.2	-21.6	178.4	65.3	175.9	0	0	0	112.6	L69 N70 G75 K82 M83 L85 L109	L69-I73 PolarHBondContact O-N 3.04Å; L69-I73 VanDerWaalsContact O-N 3.11Å; N70-I73 WeakPolarHBondContact O-CG1 3.39Å; N70-I73 PolarHBondContact O-N 2.84Å; I73-G75 VanDerWaalsContact C-N 3.28Å; I73-K82 CarbonylContact O-C 3.58Å; I73-K82 WeakPolarHBondContact O-CA 3.24Å; I73-M83 HydrophobicContact CB-CB 4.09Å; I73-M83 HydrophobicContact CG2-CB 4.27Å; I73-M83 PolarHBondContact O-N 2.84Å; I73-L85 HydrophobicContact CD1-CB 4.16Å; I73-L85 HydrophobicContact CD1-CD1 3.59Å; I73-L85 HydrophobicContact CD1-CG 4.42Å; I73-L109 HydrophobicContact CD1-CD1 4.4Å; I73-L109 HydrophobicContact CG2-CD1 4.42Å
74	Q	96.3	Very high	95.7	Very high	98 Å²	98	60.8 Å²	60.8	46%	0.458	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	1.4	176.1	-69	-58.4	-34.9	0	0	113.8	N70 D71 Y72	N70-Q74 WeakPolarHBondContact O-CB 3.42Å; N70-Q74 VanDerWaalsContact O-CG 3.22Å; N70-Q74 WeakPolarHBondContact O-CG 3.44Å; N70-Q74 PolarHBondContact O-N 2.84Å; D71-Q74 PolarHBondContact O-N 2.96Å; Y72-Q74 PolarHBondContact O-N 3.11Å
75	G	96	Very high	95.4	Very high	17 Å²	17	60.8 Å²	60.8	18%	0.175	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	118.5	6.5	173.9	0	0	0	0	0	115	D71 Y72 I73 N77 E80 M81	D71-G75 PolarHBondContact O-N 2.96Å; Y72-G75 PolarHBondContact O-N 3.37Å; I73-G75 VanDerWaalsContact C-N 3.28Å; G75-N77 PolarHBondContact O-N 3.35Å; G75-E80 WeakPolarHBondContact O-CA 3.41Å; G75-M81 WeakPolarHBondContact CA-O 3.43Å
76	K	97	Very high	95.2	Very high	80 Å²	80	61 Å²	61	35%	0.348	29%	0.289	S	S	.	.			trans	-81.3	55.2	173.9	-157.6	174.8	179.8	-169.6	0	111.6	D71 S123 E124	D71-K76 HydrophobicContact CB-CB 4.13Å; D71-K76 HydrophobicContact CB-CD 3.75Å; D71-K76 WeakPolarHBondContact O-CB 3.44Å; D71-K76 PolarHBondContact O-N 2.97Å; D71-K76 IonicContact OD2-NZ 3.39Å; D71-K76 PolarHBondContact OD2-NZ 3.45Å; K76-S123 PolarHBondContact O-N 3.1Å; K76-E124 HydrophobicContact CD-CG 3.87Å; K76-E124 VanDerWaalsContact CD-OE1 3.31Å; K76-E124 WeakPolarHBondContact CD-OE1 3.23Å; K76-E124 VanDerWaalsContact CE-CG 3.4Å; K76-E124 VanDerWaalsContact CE-OE1 3.23Å; K76-E124 WeakPolarHBondContact CE-OE1 3.46Å; K76-E124 HydrophobicContact CG-CG 4.3Å; K76-E124 IonicContact NZ-OE1 2.85Å; K76-E124 PolarHBondContact NZ-OE1 3.28Å; K76-E124 IonicContact NZ-OE2 3.49Å; K76-E124 PolarHBondContact NZ-OE2 3.08Å
77	N	97.6	Very high	95	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.011	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-138	164.1	178.2	61.1	69.1	0	0	0	109.4	Y72 G75 K79 E80 M81 P120 R121 S123	Y72-N77 HydrophobicContact CD2-CB 3.73Å; Y72-N77 HydrophobicContact CE2-CB 3.59Å; Y72-N77 PolarHBondContact O-ND2 2.87Å; G75-N77 PolarHBondContact O-N 3.35Å; N77-K79 PolarHBondContact O-N 3.29Å; N77-K79 PolarHBondContact OD1-N 3.37Å; N77-E80 PolarHBondContact O-N 3.31Å; N77-E80 PolarHBondContact OD1-N 3.09Å; N77-M81 PolarHBondContact ND2-O 3.02Å; N77-M81 PolarHBondContact OD1-N 3.13Å; N77-P120 HydrophobicContact CB-CB 3.94Å; N77-P120 HydrophobicContact CB-CG 4.12Å; N77-P120 WeakPolarHBondContact OD1-CB 3.45Å; N77-R121 CarbonylContact C-O 3.56Å; N77-R121 WeakPolarHBondContact CA-O 3.29Å; N77-R121 WeakPolarHBondContact CB-O 3.46Å; N77-S123 VanDerWaalsContact C-OG 3.26Å; N77-S123 WeakPolarHBondContact CA-OG 3.25Å; N77-S123 PolarHBondContact N-OG 2.99Å
78	E	97.1	Very high	94.9	Very high	112 Å²	112	56.7 Å²	56.7	52%	0.523	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.6	-171.7	76.7	-174.1	169.7	0	0	114.5	R121	E78-R121 HydrophobicContact CB-CB 4.3Å; E78-R121 VanDerWaalsContact CD-CB 3.41Å; E78-R121 HydrophobicContact CG-CB 4.07Å; E78-R121 PolarHBondContact N-O 3.45Å; E78-R121 PolarHBondContact OE1-N 3.12Å; E78-R121 WeakPolarHBondContact OE2-CB 3.44Å
79	K	96.4	Very high	94.8	Very high	88 Å²	88	54.7 Å²	54.7	38%	0.383	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	1.6	-178.6	-57.4	-173.6	-173.2	166.4	0	112.2	N77 M81 D118 P120	N77-K79 PolarHBondContact O-N 3.29Å; N77-K79 PolarHBondContact OD1-N 3.37Å; K79-M81 HydrophobicContact CB-CB 4.01Å; K79-M81 HydrophobicContact CD-CE 4.41Å; K79-M81 PolarHBondContact O-N 2.99Å; K79-D118 IonicContact NZ-OD2 3.58Å; K79-D118 PolarHBondContact NZ-OD2 2.89Å; K79-P120 HydrophobicContact CB-CB 4.13Å; K79-P120 HydrophobicContact CD-CB 3.96Å; K79-P120 HydrophobicContact CG-CB 3.89Å
80	E	97.2	Very high	94.8	Very high	170 Å²	170	54.7 Å²	54.7	79%	0.794	26%	0.256	S	S	*	.			trans	48.5	29.7	-170.6	-60.3	-175.8	144.9	0	0	112.6	G75 N77	G75-E80 WeakPolarHBondContact O-CA 3.41Å; N77-E80 PolarHBondContact O-N 3.31Å; N77-E80 PolarHBondContact OD1-N 3.09Å
81	M	95.6	Very high	94.9	Very high	70 Å²	70	52.5 Å²	52.5	35%	0.345	24%	0.244	S	C	.	.			trans	-87.6	129.9	-168.3	176.8	-178.9	-72.6	0	0	110.3	G75 N77 K79 M83 L115	G75-M81 WeakPolarHBondContact CA-O 3.43Å; N77-M81 PolarHBondContact ND2-O 3.02Å; N77-M81 PolarHBondContact OD1-N 3.13Å; K79-M81 HydrophobicContact CB-CB 4.01Å; K79-M81 HydrophobicContact CD-CE 4.41Å; K79-M81 PolarHBondContact O-N 2.99Å; M81-M83 HydrophobicContact CG-CG 4.46Å; M81-L115 HydrophobicContact SD-CD1 4.01Å; M81-L115 HydrophobicContact SD-CD2 4.03Å
82	K	95.8	Very high	95	Very high	154 Å²	154	51.6 Å²	51.6	67%	0.67	24%	0.236	S	C	*	.			trans	-80.4	129.3	168.1	-67	-171.9	176.6	-170.2	0	110.3	I73	I73-K82 CarbonylContact O-C 3.58Å; I73-K82 WeakPolarHBondContact O-CA 3.24Å
83	M	92.8	Very high	95	Very high	15 Å²	15	51.9 Å²	51.9	7%	0.074	24%	0.238	C	C	.	.			trans	-111.6	153.1	-179.5	-60.6	171.5	68.1	0	0	109.8	Y72 I73 M81 V111 L115 P120	Y72-M83 HydrophobicContact CD1-SD 4.22Å; Y72-M83 HydrophobicContact CE1-CE 3.9Å; Y72-M83 HydrophobicContact CE1-SD 3.38Å; Y72-M83 WeakPolarHBondContact CE1-SD 3.35Å; I73-M83 HydrophobicContact CB-CB 4.09Å; I73-M83 HydrophobicContact CG2-CB 4.27Å; I73-M83 PolarHBondContact O-N 2.84Å; M81-M83 HydrophobicContact CG-CG 4.46Å; M83-V111 HydrophobicContact CE-CG1 4.12Å; M83-L115 HydrophobicContact CB-CD1 4.49Å; M83-L115 HydrophobicContact CE-CB 4.41Å; M83-L115 HydrophobicContact CE-CD1 3.33Å; M83-L115 HydrophobicContact CE-CG 4.49Å; M83-L115 HydrophobicContact CG-CD1 3.68Å; M83-L115 HydrophobicContact SD-CD1 3.99Å; M83-P120 HydrophobicContact SD-CG 3.8Å
84	R	91.1	Very high	95	Very high	155 Å²	155	55.4 Å²	55.4	59%	0.585	25%	0.254	S	S	*	.			trans	-72.3	140.9	173.9	-63.9	-178.1	-175.7	169.9	4.3	109.9
85	L	89.8	Confident	94.8	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.325	25%	0.254	S	S	.	.			trans	-72	137.1	170.9	-176.5	62.3	0	0	0	109.4	F66 I73 L109 L185	F66-L85 HydrophobicContact CE2-CD1 4.27Å; F66-L85 HydrophobicContact CZ-CD1 4.43Å; I73-L85 HydrophobicContact CD1-CB 4.16Å; I73-L85 HydrophobicContact CD1-CD1 3.59Å; I73-L85 HydrophobicContact CD1-CG 4.42Å; L85-L109 HydrophobicContact CD1-CD1 4.01Å; L85-L109 HydrophobicContact CD1-CD2 4.28Å; L85-L185 HydrophobicContact CD2-CD2 3.46Å; L85-L185 VanDerWaalsContact CD2-CD2 3.46Å; L85-L185 HydrophobicContact CG-CD2 4.34Å
86	T	91.6	Very high	94.3	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	26%	0.257	C	S	.	.			trans	-115.5	166.2	178.8	61.5	0	0	0	0	110.1	E21 Y110 P112	E21-T86 HydrophobicContact CB-CG2 4.21Å; E21-T86 WeakPolarHBondContact O-CA 3.42Å; E21-T86 WeakPolarHBondContact O-CB 3.08Å; T86-Y110 HydrophobicContact CG2-CD1 4.02Å; T86-Y110 WeakPolarHBondContact CG2-O 3.48Å; T86-Y110 WeakPolarHBondContact OG1-CB 3.36Å; T86-Y110 PolarHBondContact OG1-N 2.84Å; T86-Y110 PolarHBondContact OG1-O 3.5Å; T86-P112 HydrophobicContact CG2-CG 3.84Å
87	A	90.8	Very high	93.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-126	158.6	171.4	0	0	0	0	0	110.5	V20 E21 M22 P23 Y179 L185 L186	V20-A87 HydrophobicContact CG1-CB 3.58Å; E21-A87 PolarHBondContact O-N 3.34Å; M22-A87 VanDerWaalsContact CA-O 3.25Å; M22-A87 WeakPolarHBondContact CA-O 3.33Å; M22-A87 HydrophobicContact CG-CB 4.39Å; M22-A87 WeakPolarHBondContact CG-O 3.16Å; P23-A87 VanDerWaalsContact CD-O 3.24Å; P23-A87 WeakPolarHBondContact CD-O 3.38Å; A87-Y179 HydrophobicContact CB-CD1 4.09Å; A87-L185 HydrophobicContact CB-CB 4.47Å; A87-L185 HydrophobicContact CB-CD1 4.25Å; A87-L186 HydrophobicContact CB-CD1 3.92Å
88	P	93.3	Very high	92.8	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.006	30%	0.303	C	S	.	.			cis	-75.6	167	-12	30.5	-32.2	0	0	0	112.8	T90 A177 G178 Y179 W193	P88-T90 HydrophobicContact CG-CG2 3.87Å; P88-A177 HydrophobicContact CB-CB 3.73Å; P88-A177 HydrophobicContact CG-CB 3.71Å; P88-G178 WeakPolarHBondContact CA-O 3.29Å; P88-G178 WeakPolarHBondContact CB-O 3.49Å; P88-Y179 HydrophobicContact CB-CD1 3.88Å; P88-Y179 HydrophobicContact CB-CD2 4.16Å; P88-Y179 HydrophobicContact CB-CE1 3.62Å; P88-Y179 HydrophobicContact CB-CE2 3.89Å; P88-Y179 HydrophobicContact CB-CG 4.16Å; P88-Y179 HydrophobicContact CG-CE1 3.89Å; P88-Y179 HydrophobicContact CG-CE2 4.33Å; P88-W193 HydrophobicContact CG-CZ2 4.47Å
89	V	93.6	Very high	91.6	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	115.4	155.8	-168.3	0	0	0	0	107.3	F66 I107 L109 G178 L185	F66-V89 HydrophobicContact CD2-CG1 4.1Å; F66-V89 HydrophobicContact CD2-CG2 3.88Å; F66-V89 HydrophobicContact CE2-CG2 3.87Å; V89-I107 HydrophobicContact CG1-CG2 3.88Å; V89-L109 HydrophobicContact CB-CD2 4.12Å; V89-L109 HydrophobicContact CG1-CD2 4.05Å; V89-L109 HydrophobicContact CG2-CD2 3.66Å; V89-G178 PolarHBondContact N-O 2.96Å; V89-G178 PolarHBondContact O-N 2.85Å; V89-L185 HydrophobicContact CG2-CD1 3.86Å
90	T	96.9	Very high	90.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	147.2	177.7	63.7	0	0	0	0	111	W48 P88 I107 S108 R132 T176 A177 W193	W48-T90 HydrophobicContact CH2-CG2 3.72Å; W48-T90 HydrophobicContact CZ3-CG2 3.7Å; P88-T90 HydrophobicContact CG-CG2 3.87Å; T90-I107 WeakPolarHBondContact O-CA 3.36Å; T90-S108 PolarHBondContact N-O 2.94Å; T90-S108 PolarHBondContact O-N 3.12Å; T90-S108 WeakPolarHBondContact OG1-CB 3.34Å; T90-R132 PolarHBondContact OG1-NH1 2.94Å; T90-R132 VanDerWaalsContact OG1-NH1 3.11Å; T90-T176 CarbonylContact C-O 3.32Å; T90-T176 WeakPolarHBondContact CA-O 3.31Å; T90-A177 HydrophobicContact CG2-CB 4.43Å; T90-W193 HydrophobicContact CG2-CH2 4.06Å; T90-W193 HydrophobicContact CG2-CZ3 4.33Å
91	S	97.1	Very high	90.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.5	161.1	84.8	0	0	0	0	110.3	W58 I62 T106 Y175 T176	W58-S91 PolarHBondContact NE1-OG 2.63Å; I62-S91 VanDerWaalsContact CD1-CB 3.43Å; S91-T106 CarbonylContact C-O 3.56Å; S91-T106 VanDerWaalsContact CA-O 3.24Å; S91-T106 WeakPolarHBondContact CA-O 3.39Å; S91-Y175 CarbonylContact O-C 3.44Å; S91-Y175 WeakPolarHBondContact O-CA 3.42Å; S91-T176 WeakPolarHBondContact CB-OG1 3.37Å; S91-T176 PolarHBondContact N-O 3.01Å; S91-T176 PolarHBondContact O-N 2.84Å; S91-T176 PolarHBondContact OG-OG1 3.43Å
92	Y	98	Very high	90	Very high	45 Å²	45	59.9 Å²	59.9	18%	0.176	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	170.1	178.2	-112.9	0	0	0	108.1	E94 I105 T106 V173 Y175 I195	Y92-E94 HydrophobicContact CD1-CG 3.97Å; Y92-E94 VanDerWaalsContact CE1-CD 3.49Å; Y92-E94 HydrophobicContact CE1-CG 3.39Å; Y92-I105 WeakPolarHBondContact O-CA 3.35Å; Y92-T106 PolarHBondContact N-O 2.77Å; Y92-T106 PolarHBondContact O-N 2.86Å; Y92-V173 HydrophobicContact CE2-CB 3.59Å; Y92-V173 HydrophobicContact CE2-CG1 4.31Å; Y92-V173 HydrophobicContact CE2-CG2 3.52Å; Y92-V173 WeakPolarHBondContact OH-CG1 3.24Å; Y92-V173 WeakPolarHBondContact OH-CG2 3.17Å; Y92-Y175 HydrophobicContact CD2-CD1 4.22Å; Y92-Y175 AromaticContact CD2-CD2 3.91Å; Y92-Y175 HydrophobicContact CD2-CD2 3.91Å; Y92-Y175 AromaticContact CD2-CE1 3.79Å; Y92-Y175 HydrophobicContact CD2-CE1 3.79Å; Y92-Y175 AromaticContact CD2-CE2 3.43Å; Y92-Y175 HydrophobicContact CD2-CE2 3.43Å; Y92-Y175 VanDerWaalsContact CD2-CE2 3.43Å; Y92-Y175 HydrophobicContact CD2-CG 4.27Å; Y92-Y175 AromaticContact CD2-CZ 3.35Å; Y92-Y175 AromaticContact CE2-CE2 3.9Å; Y92-Y175 HydrophobicContact CE2-CE2 3.9Å; Y92-Y175 HydrophobicContact CG-CE1 4.04Å; Y92-Y175 HydrophobicContact CG-CE2 4.43Å; Y92-Y175 AromaticContact CG-CZ 3.93Å; Y92-I195 HydrophobicContact CE2-CD1 4.07Å
93	V	96.6	Very high	89.9	Confident	7 Å²	7	53.8 Å²	53.8	4%	0.042	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.3	-174	-176.5	0	0	0	0	109.7	P95 I105 V173 F174	V93-P95 WeakPolarHBondContact O-CD 3.19Å; V93-I105 HydrophobicContact CG1-CG1 4.39Å; V93-I105 HydrophobicContact CG2-CG1 4.41Å; V93-I105 HydrophobicContact CG2-CG2 4.38Å; V93-V173 WeakPolarHBondContact O-CA 3.39Å; V93-F174 HydrophobicContact CB-CD1 4.23Å; V93-F174 HydrophobicContact CB-CD2 4.21Å; V93-F174 HydrophobicContact CB-CE1 3.72Å; V93-F174 HydrophobicContact CB-CE2 3.7Å; V93-F174 HydrophobicContact CB-CG 4.47Å; V93-F174 HydrophobicContact CB-CZ 3.45Å; V93-F174 VanDerWaalsContact CB-CZ 3.45Å; V93-F174 HydrophobicContact CG1-CE1 3.77Å; V93-F174 HydrophobicContact CG1-CE2 4.34Å; V93-F174 HydrophobicContact CG1-CZ 3.6Å; V93-F174 HydrophobicContact CG2-CD2 4.27Å; V93-F174 HydrophobicContact CG2-CE1 4.45Å; V93-F174 HydrophobicContact CG2-CE2 3.56Å; V93-F174 HydrophobicContact CG2-CZ 3.68Å; V93-F174 PolarHBondContact N-O 3.1Å; V93-F174 PolarHBondContact O-N 3.31Å
94	E	95.6	Very high	90	Very high	81 Å²	81	55 Å²	55	38%	0.379	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	100	170	-62.2	-178.3	96.1	0	0	107.9	Y92 S103 T104 V173	Y92-E94 HydrophobicContact CD1-CG 3.97Å; Y92-E94 VanDerWaalsContact CE1-CD 3.49Å; Y92-E94 HydrophobicContact CE1-CG 3.39Å; E94-S103 CarbonylContact O-C 3.57Å; E94-S103 WeakPolarHBondContact O-CA 3.37Å; E94-S103 WeakPolarHBondContact O-CB 3.35Å; E94-T104 PolarHBondContact N-O 3.21Å; E94-T104 PolarHBondContact O-N 2.91Å; E94-V173 HydrophobicContact CG-CG1 3.88Å
95	P	90.1	Very high	90.3	Very high	70 Å²	70	47.8 Å²	47.8	46%	0.455	28%	0.277	S	S	.	.			trans	-59.7	140.7	179.9	-21.6	34.2	0	0	0	111.5	V93 K172	V93-P95 WeakPolarHBondContact O-CD 3.19Å; P95-K172 WeakPolarHBondContact CD-O 3.07Å
96	G	86.9	Confident	90.7	Very high	24 Å²	24	45.5 Å²	45.5	25%	0.247	27%	0.265	C	S	.	.			trans	-58.8	157.4	173	0	0	0	0	0	112.4	S98 E102	G96-S98 PolarHBondContact O-N 3.11Å; G96-E102 VanDerWaalsContact CA-O 3.3Å; G96-E102 WeakPolarHBondContact CA-O 3.34Å
97	S	82.4	Confident	91	Very high	137 Å²	137	45.3 Å²	45.3	96%	0.958	26%	0.264	S	S	*	.	S	Bend	trans	-65.1	-9.7	-177.7	-64.5	0	0	0	0	114.5
98	S	79.4	Confident	91.4	Very high	50 Å²	50	45.3 Å²	45.3	35%	0.35	26%	0.264	S	S	.	.	S	Bend	trans	-143.3	152.5	-178.5	167	0	0	0	0	109.2	G96 F100 S101	G96-S98 PolarHBondContact O-N 3.11Å; S98-F100 PolarHBondContact O-N 3.17Å; S98-F100 PolarHBondContact OG-N 3.24Å; S98-S101 WeakPolarHBondContact O-CB 3.41Å; S98-S101 PolarHBondContact O-N 3.25Å
99	P	73.1	Confident	91.5	Very high	119 Å²	119	45.3 Å²	45.3	77%	0.773	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-16.4	175.6	23.5	-35.4	0	0	0	114.4
100	F	79.4	Confident	91.7	Very high	173 Å²	173	46.1 Å²	46.1	76%	0.759	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	10.5	175.2	-52	-75.1	0	0	0	112.9	M56 S98	M56-F100 VanDerWaalsContact CE-C 3.43Å; M56-F100 WeakPolarHBondContact CE-O 3.5Å; S98-F100 PolarHBondContact O-N 3.17Å; S98-F100 PolarHBondContact OG-N 3.24Å
101	S	86.4	Confident	91.7	Very high	50 Å²	50	46.1 Å²	46.1	35%	0.35	27%	0.267	S	S	.	.	S	Bend	trans	-95.7	144.2	173	-66.5	0	0	0	0	109.5	S98	S98-S101 WeakPolarHBondContact O-CB 3.41Å; S98-S101 PolarHBondContact O-N 3.25Å
102	E	89.6	Confident	91.6	Very high	107 Å²	107	46.2 Å²	46.2	50%	0.5	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-61.2	143.8	170.9	-69.1	173.5	153.2	0	0	109.7	E54 M56 G96	E54-E102 HydrophobicContact CB-CB 4.27Å; M56-E102 HydrophobicContact CE-CG 4.18Å; M56-E102 HydrophobicContact CG-CG 4.07Å; G96-E102 VanDerWaalsContact CA-O 3.3Å; G96-E102 WeakPolarHBondContact CA-O 3.34Å
103	S	92.7	Very high	91.4	Very high	27 Å²	27	47.6 Å²	47.6	19%	0.189	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	144.2	169.4	-56.7	0	0	0	0	108.3	E54 S55 E94	E54-S103 WeakPolarHBondContact CA-O 3.41Å; S55-S103 PolarHBondContact N-O 2.9Å; S55-S103 PolarHBondContact O-N 2.84Å; E94-S103 CarbonylContact O-C 3.57Å; E94-S103 WeakPolarHBondContact O-CA 3.37Å; E94-S103 WeakPolarHBondContact O-CB 3.35Å
104	T	96.5	Very high	91.3	Very high	41 Å²	41	53.6 Å²	53.6	25%	0.252	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116.8	168.6	-54.8	0	0	0	0	107.7	E94	E94-T104 PolarHBondContact N-O 3.21Å; E94-T104 PolarHBondContact O-N 2.91Å
105	I	97.4	Very high	91.4	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	114.4	-178.4	-56.8	170.6	0	0	0	107.1	C52 V53 W58 A61 Y92 V93 I107	C52-I105 WeakPolarHBondContact CA-O 3.26Å; V53-I105 PolarHBondContact N-O 3.2Å; V53-I105 PolarHBondContact O-N 2.94Å; W58-I105 HydrophobicContact CB-CD1 4.3Å; W58-I105 HydrophobicContact CG-CD1 4.48Å; A61-I105 HydrophobicContact CB-CB 4.31Å; A61-I105 HydrophobicContact CB-CD1 3.57Å; A61-I105 HydrophobicContact CB-CG2 4.37Å; Y92-I105 WeakPolarHBondContact O-CA 3.35Å; V93-I105 HydrophobicContact CG1-CG1 4.39Å; V93-I105 HydrophobicContact CG2-CG1 4.41Å; V93-I105 HydrophobicContact CG2-CG2 4.38Å; I105-I107 HydrophobicContact CB-CD1 4.47Å; I105-I107 HydrophobicContact CG2-CD1 3.89Å; I105-I107 HydrophobicContact CG2-CG1 4.24Å; I105-I107 WeakPolarHBondContact O-CD1 2.99Å
106	T	98.3	Very high	91.7	Very high	13 Å²	13	49 Å²	49	8%	0.08	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.2	174.1	-56.1	0	0	0	0	108.6	T51 C52 S91 Y92 F128	T51-T106 CarbonylContact O-C 3.52Å; T51-T106 WeakPolarHBondContact O-CA 3.38Å; C52-T106 PolarHBondContact SG-OG1 2.91Å; C52-T106 VanDerWaalsContact SG-OG1 3.4Å; S91-T106 CarbonylContact C-O 3.56Å; S91-T106 VanDerWaalsContact CA-O 3.24Å; S91-T106 WeakPolarHBondContact CA-O 3.39Å; Y92-T106 PolarHBondContact N-O 2.77Å; Y92-T106 PolarHBondContact O-N 2.86Å; T106-F128 HydrophobicContact CG2-CZ 4.28Å
107	I	97.8	Very high	92.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.6	177.4	-56	85.2	0	0	0	107.5	S50 T51 V53 I62 L69 V89 T90 I105	S50-I107 CarbonylContact C-O 3.56Å; S50-I107 WeakPolarHBondContact CA-O 3.21Å; T51-I107 HydrophobicContact CG2-CB 4.35Å; T51-I107 PolarHBondContact N-O 3.3Å; T51-I107 PolarHBondContact O-N 3.21Å; V53-I107 HydrophobicContact CB-CD1 4.19Å; V53-I107 HydrophobicContact CG2-CD1 3.84Å; I62-I107 HydrophobicContact CD1-CG1 4.03Å; L69-I107 HydrophobicContact CD1-CB 4.36Å; L69-I107 HydrophobicContact CD1-CG2 3.87Å; V89-I107 HydrophobicContact CG1-CG2 3.88Å; T90-I107 WeakPolarHBondContact O-CA 3.36Å; I105-I107 HydrophobicContact CB-CD1 4.47Å; I105-I107 HydrophobicContact CG2-CD1 3.89Å; I105-I107 HydrophobicContact CG2-CG1 4.24Å; I105-I107 WeakPolarHBondContact O-CD1 2.99Å
108	S	98.1	Very high	92.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144.5	-176.6	-38.4	0	0	0	0	113.3	V49 S50 T90 E130 R132	V49-S108 CarbonylContact O-C 3.55Å; V49-S108 VanDerWaalsContact O-CA 3.24Å; V49-S108 WeakPolarHBondContact O-CA 3.4Å; S50-S108 WeakPolarHBondContact OG-CB 3.28Å; S50-S108 PolarHBondContact OG-OG 2.79Å; T90-S108 PolarHBondContact N-O 2.94Å; T90-S108 PolarHBondContact O-N 3.12Å; T90-S108 WeakPolarHBondContact OG1-CB 3.34Å; S108-E130 PolarHBondContact OG-OE2 2.92Å; S108-R132 PolarHBondContact OG-NH2 3.32Å
109	L	96.1	Very high	93.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	141.1	166.4	-69.6	178.4	0	0	0	109.9	W48 V49 F66 L69 I73 L85 V89 V111	W48-L109 CarbonylContact C-O 3.58Å; W48-L109 WeakPolarHBondContact CA-O 3.36Å; V49-L109 HydrophobicContact CG1-CB 3.86Å; V49-L109 PolarHBondContact N-O 2.9Å; V49-L109 PolarHBondContact O-N 2.87Å; F66-L109 HydrophobicContact CD2-CD2 4.43Å; F66-L109 HydrophobicContact CE2-CD1 4.32Å; F66-L109 HydrophobicContact CE2-CD2 4.23Å; L69-L109 HydrophobicContact CB-CD1 3.68Å; L69-L109 HydrophobicContact CB-CG 4.08Å; L69-L109 HydrophobicContact CD1-CB 4.38Å; L69-L109 HydrophobicContact CD1-CD1 4.41Å; L69-L109 HydrophobicContact CD1-CG 3.88Å; I73-L109 HydrophobicContact CD1-CD1 4.4Å; I73-L109 HydrophobicContact CG2-CD1 4.42Å; L85-L109 HydrophobicContact CD1-CD1 4.01Å; L85-L109 HydrophobicContact CD1-CD2 4.28Å; V89-L109 HydrophobicContact CB-CD2 4.12Å; V89-L109 HydrophobicContact CG1-CD2 4.05Å; V89-L109 HydrophobicContact CG2-CD2 3.66Å; L109-V111 PolarHBondContact O-N 2.9Å
110	Y	96.8	Very high	94.8	Very high	21 Å²	21	44.2 Å²	44.2	8%	0.082	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.8	177	179.1	-112.9	0	0	0	109.6	E21 P23 A46 W48 T86	E21-Y110 HydrophobicContact CG-CE1 4.19Å; E21-Y110 WeakPolarHBondContact OE1-CE1 3.45Å; P23-Y110 HydrophobicContact CB-CD2 4.01Å; P23-Y110 HydrophobicContact CB-CE2 4.09Å; P23-Y110 HydrophobicContact CB-CG 4.46Å; A46-Y110 HydrophobicContact CB-CD2 4.49Å; A46-Y110 HydrophobicContact CB-CE2 3.81Å; W48-Y110 HydrophobicContact CD2-CD2 4.4Å; W48-Y110 AromaticContact CE2-CD2 3.86Å; W48-Y110 HydrophobicContact CH2-CD2 4.43Å; W48-Y110 AromaticContact CZ2-CD2 3.89Å; W48-Y110 HydrophobicContact CZ2-CD2 3.89Å; W48-Y110 HydrophobicContact CZ2-CG 4.43Å; T86-Y110 HydrophobicContact CG2-CD1 4.02Å; T86-Y110 WeakPolarHBondContact CG2-O 3.48Å; T86-Y110 WeakPolarHBondContact OG1-CB 3.36Å; T86-Y110 PolarHBondContact OG1-N 2.84Å; T86-Y110 PolarHBondContact OG1-O 3.5Å
111	V	97	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-76.9	127.7	172.2	174.1	0	0	0	0	107.8	K47 M83 L109 L115 Q116 P119	K47-V111 HydrophobicContact CB-CB 4.41Å; K47-V111 HydrophobicContact CB-CG2 4.29Å; K47-V111 WeakPolarHBondContact O-CB 3.15Å; K47-V111 PolarHBondContact O-N 2.93Å; M83-V111 HydrophobicContact CE-CG1 4.12Å; L109-V111 PolarHBondContact O-N 2.9Å; V111-L115 HydrophobicContact CG1-CB 3.68Å; V111-Q116 PolarHBondContact O-NE2 3.35Å; V111-P119 HydrophobicContact CG1-CB 4.04Å; V111-P119 HydrophobicContact CG2-CB 4.42Å
112	P	95.3	Very high	96.2	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.013	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-52.2	147.1	177.1	-27	34.3	0	0	0	112.7	E21 T86 E114 L115 Q116	E21-P112 WeakPolarHBondContact OE2-CA 3.41Å; T86-P112 HydrophobicContact CG2-CG 3.84Å; P112-E114 HydrophobicContact CB-CG 4.47Å; P112-E114 PolarHBondContact O-N 2.83Å; P112-E114 VanDerWaalsContact O-N 3.09Å; P112-L115 WeakPolarHBondContact O-CA 3.46Å; P112-L115 PolarHBondContact O-N 2.92Å; P112-Q116 PolarHBondContact O-N 2.65Å
113	S	94.1	Very high	96.5	Very high	73 Å²	73	41.3 Å²	41.3	51%	0.51	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-55.8	-34.1	-174.1	-71.2	0	0	0	0	113.1	E21 L115 Q116	E21-S113 WeakPolarHBondContact OE1-CA 3.2Å; E21-S113 WeakPolarHBondContact OE1-CB 3.48Å; E21-S113 PolarHBondContact OE1-N 3.36Å; E21-S113 PolarHBondContact OE1-OG 2.96Å; E21-S113 PolarHBondContact OE2-N 3.11Å; S113-L115 PolarHBondContact O-N 2.88Å; S113-Q116 PolarHBondContact O-N 2.91Å
114	E	95.1	Very high	96.6	Very high	134 Å²	134	42.2 Å²	42.2	63%	0.626	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-65.5	-19.6	178.3	76.9	-168.1	168.3	0	0	113.4	P112	P112-E114 HydrophobicContact CB-CG 4.47Å; P112-E114 PolarHBondContact O-N 2.83Å; P112-E114 VanDerWaalsContact O-N 3.09Å
115	L	96.1	Very high	96.5	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.115	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-113.6	0.3	-178.6	-62.4	175.5	0	0	0	113.4	M81 M83 V111 P112 S113 S117 D118 P119	M81-L115 HydrophobicContact SD-CD1 4.01Å; M81-L115 HydrophobicContact SD-CD2 4.03Å; M83-L115 HydrophobicContact CB-CD1 4.49Å; M83-L115 HydrophobicContact CE-CB 4.41Å; M83-L115 HydrophobicContact CE-CD1 3.33Å; M83-L115 HydrophobicContact CE-CG 4.49Å; M83-L115 HydrophobicContact CG-CD1 3.68Å; M83-L115 HydrophobicContact SD-CD1 3.99Å; V111-L115 HydrophobicContact CG1-CB 3.68Å; P112-L115 WeakPolarHBondContact O-CA 3.46Å; P112-L115 PolarHBondContact O-N 2.92Å; S113-L115 PolarHBondContact O-N 2.88Å; L115-S117 PolarHBondContact O-N 2.98Å; L115-S117 VanDerWaalsContact O-N 3.17Å; L115-D118 CarbonylContact O-C 3.57Å; L115-D118 PolarHBondContact O-N 2.96Å; L115-P119 VanDerWaalsContact O-CD 3.28Å; L115-P119 WeakPolarHBondContact O-CD 3.42Å; L115-P119 VanDerWaalsContact O-N 3.07Å
116	Q	96.6	Very high	96.4	Very high	31 Å²	31	49.1 Å²	49.1	15%	0.145	27%	0.274	C	S	.	.	S	Bend	trans	-58.1	-30.1	-179.3	-83.8	-70.2	-27.3	0	0	113.6	K47 V111 P112 S113	K47-Q116 WeakPolarHBondContact CD-O 3.36Å; K47-Q116 PolarHBondContact NZ-O 3.47Å; K47-Q116 PolarHBondContact O-NE2 3.5Å; V111-Q116 PolarHBondContact O-NE2 3.35Å; P112-Q116 PolarHBondContact O-N 2.65Å; S113-Q116 PolarHBondContact O-N 2.91Å
117	S	97.1	Very high	96.4	Very high	113 Å²	113	48.9 Å²	48.9	79%	0.79	27%	0.273	S	S	*	.	S	Bend	trans	-76.5	-41.1	178.3	-57	0	0	0	0	113.5	L115	L115-S117 PolarHBondContact O-N 2.98Å; L115-S117 VanDerWaalsContact O-N 3.17Å
118	D	96.5	Very high	96.5	Very high	102 Å²	102	52.8 Å²	52.8	55%	0.545	29%	0.29	S	S	.	.	S	Bend	trans	-145.7	73.2	-174.8	-176.8	49	0	0	0	111.4	K79 L115	K79-D118 IonicContact NZ-OD2 3.58Å; K79-D118 PolarHBondContact NZ-OD2 2.89Å; L115-D118 CarbonylContact O-C 3.57Å; L115-D118 PolarHBondContact O-N 2.96Å
119	P	96.8	Very high	96.5	Very high	15 Å²	15	55 Å²	55	10%	0.097	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.4	141.4	177.3	26	-31.4	0	0	0	110.5	K47 V111 L115 R121 I129	K47-P119 HydrophobicContact CD-CG 3.72Å; V111-P119 HydrophobicContact CG1-CB 4.04Å; V111-P119 HydrophobicContact CG2-CB 4.42Å; L115-P119 VanDerWaalsContact O-CD 3.28Å; L115-P119 WeakPolarHBondContact O-CD 3.42Å; L115-P119 VanDerWaalsContact O-N 3.07Å; P119-R121 PolarHBondContact O-N 3.16Å; P119-I129 HydrophobicContact CB-CD1 4.06Å; P119-I129 HydrophobicContact CB-CG1 4.44Å; P119-I129 HydrophobicContact CG-CD1 4.18Å; P119-I129 HydrophobicContact CG-CG1 4.09Å; P119-I129 HydrophobicContact CG-CG2 3.79Å
120	P	97.5	Very high	96.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-61.3	136.6	177.1	27.5	-33.8	0	0	0	110	Y72 N77 K79 M83	Y72-P120 HydrophobicContact CE2-CG 4.41Å; Y72-P120 VanDerWaalsContact CE2-O 3.26Å; Y72-P120 WeakPolarHBondContact CE2-O 3.23Å; Y72-P120 WeakPolarHBondContact OH-CD 3.4Å; Y72-P120 WeakPolarHBondContact OH-CG 3.28Å; Y72-P120 PolarHBondContact OH-O 2.89Å; N77-P120 HydrophobicContact CB-CB 3.94Å; N77-P120 HydrophobicContact CB-CG 4.12Å; N77-P120 WeakPolarHBondContact OD1-CB 3.45Å; K79-P120 HydrophobicContact CB-CB 4.13Å; K79-P120 HydrophobicContact CD-CB 3.96Å; K79-P120 HydrophobicContact CG-CB 3.89Å; M83-P120 HydrophobicContact SD-CG 3.8Å
121	R	97.5	Very high	96.6	Very high	177 Å²	177	61.5 Å²	61.5	67%	0.668	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-63.2	135.5	179.2	-170.5	-178.7	170.9	176.6	-0.8	111.1	N77 E78 P119	N77-R121 CarbonylContact C-O 3.56Å; N77-R121 WeakPolarHBondContact CA-O 3.29Å; N77-R121 WeakPolarHBondContact CB-O 3.46Å; E78-R121 HydrophobicContact CB-CB 4.3Å; E78-R121 VanDerWaalsContact CD-CB 3.41Å; E78-R121 HydrophobicContact CG-CB 4.07Å; E78-R121 PolarHBondContact N-O 3.45Å; E78-R121 PolarHBondContact OE1-N 3.12Å; E78-R121 WeakPolarHBondContact OE2-CB 3.44Å; P119-R121 PolarHBondContact O-N 3.16Å
122	P	97.8	Very high	96.6	Very high	15 Å²	15	62.2 Å²	62.2	10%	0.097	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-60.7	142.2	172.5	-22.2	32.7	0	0	0	112.2	V49 Y72 V127 I129	V49-P122 HydrophobicContact CG2-CG 4.45Å; Y72-P122 HydrophobicContact CD2-CB 3.9Å; Y72-P122 HydrophobicContact CD2-CG 3.92Å; Y72-P122 HydrophobicContact CE2-CB 4.17Å; Y72-P122 HydrophobicContact CE2-CG 3.77Å; P122-V127 HydrophobicContact CB-CB 3.86Å; P122-V127 HydrophobicContact CB-CG1 3.77Å; P122-V127 WeakPolarHBondContact CB-O 3.35Å; P122-V127 HydrophobicContact CG-CB 4.36Å; P122-V127 HydrophobicContact CG-CG1 3.85Å; P122-I129 HydrophobicContact CG-CD1 4.17Å; P122-I129 HydrophobicContact CG-CG1 4.4Å
123	S	96.1	Very high	96.7	Very high	77 Å²	77	65.5 Å²	65.5	54%	0.538	37%	0.366	S	S	.	.	S	Bend	trans	-82.1	-23.4	175.2	-56.6	0	0	0	0	112.7	K76 N77	K76-S123 PolarHBondContact O-N 3.1Å; N77-S123 VanDerWaalsContact C-OG 3.26Å; N77-S123 WeakPolarHBondContact CA-OG 3.25Å; N77-S123 PolarHBondContact N-OG 2.99Å
124	E	94.1	Very high	96.7	Very high	47 Å²	47	63.9 Å²	63.9	22%	0.22	36%	0.361	C	S	.	.	S	Bend	trans	-83.2	143.6	176.5	-57.6	-161.3	-117.6	0	0	111.3	K76 D126 V127	K76-E124 HydrophobicContact CD-CG 3.87Å; K76-E124 VanDerWaalsContact CD-OE1 3.31Å; K76-E124 WeakPolarHBondContact CD-OE1 3.23Å; K76-E124 VanDerWaalsContact CE-CG 3.4Å; K76-E124 VanDerWaalsContact CE-OE1 3.23Å; K76-E124 WeakPolarHBondContact CE-OE1 3.46Å; K76-E124 HydrophobicContact CG-CG 4.3Å; K76-E124 IonicContact NZ-OE1 2.85Å; K76-E124 PolarHBondContact NZ-OE1 3.28Å; K76-E124 IonicContact NZ-OE2 3.49Å; K76-E124 PolarHBondContact NZ-OE2 3.08Å; E124-D126 VanDerWaalsContact C-N 3.32Å; E124-D126 WeakPolarHBondContact CB-OD1 3.38Å; E124-D126 PolarHBondContact O-N 3.25Å; E124-V127 HydrophobicContact CB-CB 4.29Å; E124-V127 HydrophobicContact CB-CG2 4.01Å
125	S	94.9	Very high	96.8	Very high	130 Å²	130	59 Å²	59	91%	0.909	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-20.1	-177.5	52.8	0	0	0	0	114
126	D	95.4	Very high	96.7	Very high	59 Å²	59	59.1 Å²	59.1	32%	0.316	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	7.5	-178.6	62.7	-18.6	0	0	0	113	T51 K68 E124	T51-D126 WeakPolarHBondContact CB-O 3.23Å; T51-D126 PolarHBondContact OG1-O 3.44Å; K68-D126 WeakPolarHBondContact CE-OD2 3.42Å; K68-D126 IonicContact NZ-OD2 2.71Å; K68-D126 PolarHBondContact NZ-OD2 3.22Å; E124-D126 VanDerWaalsContact C-N 3.32Å; E124-D126 WeakPolarHBondContact CB-OD1 3.38Å; E124-D126 PolarHBondContact O-N 3.25Å
127	V	98.3	Very high	96.7	Very high	8 Å²	8	57.7 Å²	57.7	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.4	170.7	-177.7	0	0	0	0	108	V49 S50 K68 L69 P122 E124	V49-V127 HydrophobicContact CG2-CG1 3.45Å; V49-V127 VanDerWaalsContact CG2-CG1 3.45Å; S50-V127 WeakPolarHBondContact O-CA 3.46Å; K68-V127 HydrophobicContact CB-CG2 3.98Å; L69-V127 HydrophobicContact CD2-CG1 4Å; P122-V127 HydrophobicContact CB-CB 3.86Å; P122-V127 HydrophobicContact CB-CG1 3.77Å; P122-V127 WeakPolarHBondContact CB-O 3.35Å; P122-V127 HydrophobicContact CG-CB 4.36Å; P122-V127 HydrophobicContact CG-CG1 3.85Å; E124-V127 HydrophobicContact CB-CB 4.29Å; E124-V127 HydrophobicContact CB-CG2 4.01Å
128	F	98.5	Very high	96.7	Very high	82 Å²	82	52.3 Å²	52.3	36%	0.36	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.4	-175.3	58.6	-88	0	0	0	111.5	S50 T106 E130	S50-F128 PolarHBondContact N-O 2.89Å; S50-F128 WeakPolarHBondContact O-CD1 3.28Å; S50-F128 PolarHBondContact O-N 3.14Å; T106-F128 HydrophobicContact CG2-CZ 4.28Å; F128-E130 HydrophobicContact CD2-CB 4.39Å; F128-E130 HydrophobicContact CE2-CB 4.13Å
129	I	98.3	Very high	96.6	Very high	47 Å²	47	47.6 Å²	47.6	24%	0.241	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.7	170.9	-55.5	-57.2	0	0	0	107.9	K47 W48 V49 P119 P122	K47-I129 HydrophobicContact CB-CG2 4.18Å; K47-I129 HydrophobicContact CD-CG2 3.92Å; K47-I129 HydrophobicContact CG-CG2 4.36Å; W48-I129 CarbonylContact O-C 3.49Å; W48-I129 WeakPolarHBondContact O-CA 3.42Å; V49-I129 HydrophobicContact CB-CD1 4.14Å; V49-I129 HydrophobicContact CG2-CD1 4.19Å; P119-I129 HydrophobicContact CB-CD1 4.06Å; P119-I129 HydrophobicContact CB-CG1 4.44Å; P119-I129 HydrophobicContact CG-CD1 4.18Å; P119-I129 HydrophobicContact CG-CG1 4.09Å; P119-I129 HydrophobicContact CG-CG2 3.79Å; P122-I129 HydrophobicContact CG-CD1 4.17Å; P122-I129 HydrophobicContact CG-CG1 4.4Å
130	E	98.3	Very high	96.5	Very high	38 Å²	38	49.2 Å²	49.2	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	119.1	176.7	-178.6	-164.1	152.5	0	0	109.2	K47 W48 S50 S108 F128 R132	K47-E130 WeakPolarHBondContact CA-O 3.47Å; W48-E130 HydrophobicContact CB-CB 4.38Å; W48-E130 PolarHBondContact N-O 2.89Å; W48-E130 PolarHBondContact O-N 3.47Å; S50-E130 PolarHBondContact OG-OE2 3.22Å; S108-E130 PolarHBondContact OG-OE2 2.92Å; F128-E130 HydrophobicContact CD2-CB 4.39Å; F128-E130 HydrophobicContact CE2-CB 4.13Å; E130-R132 PolarHBondContact O-N 3.14Å; E130-R132 IonicContact OE1-CZ 3.87Å; E130-R132 IonicContact OE1-NE 3.85Å; E130-R132 PolarHBondContact OE1-NE 3.32Å; E130-R132 IonicContact OE1-NH2 2.85Å; E130-R132 PolarHBondContact OE1-NH2 3.27Å; E130-R132 VanDerWaalsContact OE1-NH2 3.12Å; E130-R132 IonicContact OE2-CZ 3.07Å; E130-R132 IonicContact OE2-NE 2.85Å; E130-R132 IonicContact OE2-NH2 3.49Å; E130-R132 PolarHBondContact OE2-NH2 2.95Å
131	D	97.7	Very high	96.2	Very high	119 Å²	119	52.3 Å²	52.3	64%	0.636	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	90.8	164.8	-71.1	-70.3	0	0	0	108.9	K47 A133	K47-D131 WeakPolarHBondContact CE-OD1 3.4Å; K47-D131 WeakPolarHBondContact CG-OD1 3.45Å; K47-D131 IonicContact NZ-OD1 2.78Å; D131-A133 PolarHBondContact O-N 3.16Å
132	R	97.4	Very high	95.9	Very high	15 Å²	15	44.4 Å²	44.4	6%	0.057	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	117.2	179.9	-173	170	-68.3	171.7	3.4	109.3	P45 A46 T90 S108 E130 M135	P45-R132 VanDerWaalsContact CA-O 3.3Å; P45-R132 WeakPolarHBondContact CA-O 3.33Å; A46-R132 PolarHBondContact N-O 2.86Å; A46-R132 WeakPolarHBondContact O-CB 3.17Å; A46-R132 PolarHBondContact O-N 2.94Å; T90-R132 PolarHBondContact OG1-NH1 2.94Å; T90-R132 VanDerWaalsContact OG1-NH1 3.11Å; S108-R132 PolarHBondContact OG-NH2 3.32Å; E130-R132 PolarHBondContact O-N 3.14Å; E130-R132 IonicContact OE1-CZ 3.87Å; E130-R132 IonicContact OE1-NE 3.85Å; E130-R132 PolarHBondContact OE1-NE 3.32Å; E130-R132 IonicContact OE1-NH2 2.85Å; E130-R132 PolarHBondContact OE1-NH2 3.27Å; E130-R132 VanDerWaalsContact OE1-NH2 3.12Å; E130-R132 IonicContact OE2-CZ 3.07Å; E130-R132 IonicContact OE2-NE 2.85Å; E130-R132 IonicContact OE2-NH2 3.49Å; E130-R132 PolarHBondContact OE2-NH2 2.95Å; R132-M135 VanDerWaalsContact CD-CE 3.47Å; R132-M135 HydrophobicContact CG-CE 3.36Å
133	A	96.3	Very high	95.3	Very high	71 Å²	71	49.2 Å²	49.2	59%	0.587	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-63.2	153.8	175.8	0	0	0	0	0	111.4	D131	D131-A133 PolarHBondContact O-N 3.16Å
134	G	95.3	Very high	94.6	Very high	39 Å²	39	47.6 Å²	47.6	40%	0.402	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-59.9	139.8	172.4	0	0	0	0	0	110.9	Y43	Y43-G134 CarbonylContact O-C 3.4Å; Y43-G134 WeakPolarHBondContact O-CA 3.48Å
135	M	95.8	Very high	94	Very high	31 Å²	31	52.6 Å²	52.6	15%	0.153	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	148.1	-175.7	68.4	-179.8	86.1	0	0	111.4	Y43 R132 V137 Y175	Y43-M135 PolarHBondContact N-O 3.42Å; Y43-M135 PolarHBondContact O-N 2.76Å; R132-M135 VanDerWaalsContact CD-CE 3.47Å; R132-M135 HydrophobicContact CG-CE 3.36Å; M135-V137 HydrophobicContact CG-CG1 3.94Å; M135-V137 HydrophobicContact SD-CG1 3.82Å; M135-Y175 HydrophobicContact CE-CE2 4.39Å; M135-Y175 HydrophobicContact SD-CE2 3.95Å
136	T	95.6	Very high	93.6	Very high	26 Å²	26	47 Å²	47	16%	0.16	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.9	168	-53.5	0	0	0	0	109.3	I40 R41 H42 Q196	I40-T136 HydrophobicContact CG2-CG2 3.47Å; I40-T136 VanDerWaalsContact CG2-CG2 3.47Å; R41-T136 WeakPolarHBondContact O-CA 3.22Å; H42-T136 PolarHBondContact ND1-OG1 2.92Å; T136-Q196 VanDerWaalsContact CB-OE1 3.25Å; T136-Q196 HydrophobicContact CG2-CB 4.36Å; T136-Q196 WeakPolarHBondContact O-CB 3.21Å; T136-Q196 PolarHBondContact O-N 3.41Å
137	V	96.4	Very high	93.4	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.4	-179.3	-62.4	0	0	0	0	111.7	I40 R41 Y43 M135 V139 W193 L194 I195	I40-V137 WeakPolarHBondContact CA-O 3.38Å; R41-V137 HydrophobicContact CB-CG2 4.22Å; R41-V137 PolarHBondContact N-O 3.25Å; R41-V137 PolarHBondContact O-N 2.78Å; Y43-V137 HydrophobicContact CD2-CG2 3.84Å; Y43-V137 HydrophobicContact CE2-CG2 3.59Å; M135-V137 HydrophobicContact CG-CG1 3.94Å; M135-V137 HydrophobicContact SD-CG1 3.82Å; V137-V139 HydrophobicContact CG2-CG2 3.72Å; V137-W193 HydrophobicContact CB-CB 4.08Å; V137-W193 HydrophobicContact CG1-CB 4.46Å; V137-W193 HydrophobicContact CG2-CB 4.32Å; V137-W193 HydrophobicContact CG2-CD2 4.32Å; V137-W193 HydrophobicContact CG2-CE3 4.24Å; V137-W193 HydrophobicContact CG2-CG 4.41Å; V137-L194 WeakPolarHBondContact CA-O 3.5Å; V137-I195 HydrophobicContact CG1-CG1 4.43Å
138	F	95.5	Very high	92.9	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	123.6	166.3	-54.9	-72.3	0	0	0	108.6	Y38 E39 I40 L158 L162 K167 F169 W193 L194 Q196	Y38-F138 HydrophobicContact CD2-CB 4.25Å; Y38-F138 AromaticContact CD2-CD1 3.87Å; Y38-F138 HydrophobicContact CD2-CD1 3.87Å; Y38-F138 AromaticContact CE2-CD1 3.57Å; Y38-F138 HydrophobicContact CE2-CD1 3.57Å; Y38-F138 HydrophobicContact CE2-CE1 4.12Å; E39-F138 CarbonylContact O-C 3.57Å; E39-F138 WeakPolarHBondContact O-CA 3.45Å; I40-F138 HydrophobicContact CD1-CD1 4.14Å; I40-F138 HydrophobicContact CD1-CE1 3.79Å; I40-F138 HydrophobicContact CG1-CD1 3.95Å; I40-F138 HydrophobicContact CG1-CE1 4.12Å; F138-L158 HydrophobicContact CB-CD1 4.39Å; F138-L158 HydrophobicContact CB-CD2 4.44Å; F138-L162 HydrophobicContact CB-CD1 3.75Å; F138-L162 HydrophobicContact CB-CD2 3.97Å; F138-L162 HydrophobicContact CB-CG 4.45Å; F138-L162 HydrophobicContact CD1-CD2 3.52Å; F138-L162 HydrophobicContact CD2-CD1 3.58Å; F138-L162 HydrophobicContact CD2-CD2 4Å; F138-L162 HydrophobicContact CD2-CG 4.45Å; F138-L162 HydrophobicContact CE1-CD2 3.93Å; F138-L162 HydrophobicContact CE2-CD1 4.31Å; F138-L162 HydrophobicContact CE2-CD2 4.37Å; F138-L162 HydrophobicContact CG-CD1 3.7Å; F138-L162 HydrophobicContact CG-CD2 3.55Å; F138-L162 HydrophobicContact CG-CG 4.29Å; F138-L162 HydrophobicContact CZ-CD2 4.35Å; F138-K167 HydrophobicContact CE1-CB 4.31Å; F138-K167 HydrophobicContact CE1-CD 4.31Å; F138-K167 HydrophobicContact CE1-CG 4.22Å; F138-K167 HydrophobicContact CE2-CB 4.4Å; F138-K167 HydrophobicContact CZ-CB 3.89Å; F138-K167 HydrophobicContact CZ-CD 4.36Å; F138-K167 HydrophobicContact CZ-CG 4.25Å; F138-F169 HydrophobicContact CD2-CB 4.11Å; F138-F169 HydrophobicContact CE2-CB 4.01Å; F138-W193 CarbonylContact O-C 3.44Å; F138-W193 WeakPolarHBondContact O-CA 3.35Å; F138-L194 PolarHBondContact N-O 2.78Å; F138-L194 PolarHBondContact O-N 2.94Å; F138-Q196 HydrophobicContact CE2-CB 3.76Å; F138-Q196 HydrophobicContact CE2-CG 4Å; F138-Q196 HydrophobicContact CZ-CB 4.07Å; F138-Q196 HydrophobicContact CZ-CG 3.93Å
139	V	95.6	Very high	92.6	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.6	-172.1	179.1	0	0	0	0	110.2	Y38 E39 R41 V137 E191 W193	Y38-V139 CarbonylContact C-O 2.97Å; Y38-V139 VanDerWaalsContact CA-O 3.26Å; Y38-V139 WeakPolarHBondContact CA-O 2.89Å; Y38-V139 WeakPolarHBondContact CB-O 3.36Å; E39-V139 HydrophobicContact CB-CB 4.33Å; E39-V139 PolarHBondContact N-O 3.2Å; E39-V139 PolarHBondContact O-N 2.96Å; R41-V139 HydrophobicContact CB-CG2 4.39Å; R41-V139 HydrophobicContact CG-CG2 3.97Å; V137-V139 HydrophobicContact CG2-CG2 3.72Å; V139-E191 HydrophobicContact CG1-CB 3.95Å; V139-E191 HydrophobicContact CG1-CG 4.03Å; V139-W193 HydrophobicContact CG2-CG 4.06Å
140	R	93.9	Very high	92.3	Very high	49 Å²	49	49.5 Å²	49.5	19%	0.185	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.6	168.2	-176.1	173.1	179.4	80.8	1.4	110.2	S37 L158 E191 V192	S37-R140 PolarHBondContact O-NH1 3.01Å; R140-L158 HydrophobicContact CB-CB 4.14Å; R140-L158 HydrophobicContact CB-CD1 4.16Å; R140-L158 HydrophobicContact CB-CD2 3.99Å; R140-L158 HydrophobicContact CB-CG 4.31Å; R140-E191 VanDerWaalsContact O-CA 3.29Å; R140-E191 WeakPolarHBondContact O-CA 3.23Å; R140-V192 HydrophobicContact CB-CG2 4.01Å; R140-V192 PolarHBondContact N-O 2.82Å; R140-V192 PolarHBondContact O-N 3.44Å
141	S	92.6	Very high	92.1	Very high	65 Å²	65	47.9 Å²	47.9	46%	0.455	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	147.7	172.8	60.1	0	0	0	0	111.7	N190	S141-N190 CarbonylContact C-O 3.58Å; S141-N190 WeakPolarHBondContact CA-O 3.38Å
142	F	90	Very high	91.9	Very high	12 Å²	12	48 Å²	48	5%	0.053	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	148.9	175.5	59.1	-87.6	0	0	0	111.7	K150 N151 Q154 N189 N190 V192	F142-K150 HydrophobicContact CD2-CD 3.97Å; F142-K150 HydrophobicContact CD2-CG 4.28Å; F142-K150 HydrophobicContact CE2-CD 3.81Å; F142-K150 HydrophobicContact CE2-CG 4.09Å; F142-N151 VanDerWaalsContact CZ-OD1 3.29Å; F142-N151 WeakPolarHBondContact CZ-OD1 3.4Å; F142-Q154 HydrophobicContact CB-CG 4.01Å; F142-Q154 HydrophobicContact CD1-CB 4.09Å; F142-Q154 HydrophobicContact CD1-CG 3.62Å; F142-Q154 HydrophobicContact CD2-CG 4.39Å; F142-Q154 HydrophobicContact CE1-CB 4.43Å; F142-Q154 HydrophobicContact CE1-CG 4.17Å; F142-Q154 HydrophobicContact CG-CG 3.74Å; F142-N189 WeakPolarHBondContact O-CB 3.38Å; F142-N190 VanDerWaalsContact CD1-O 3.31Å; F142-N190 WeakPolarHBondContact CD1-O 3.38Å; F142-N190 HydrophobicContact CD2-CB 4.47Å; F142-N190 HydrophobicContact CE1-CB 4.09Å; F142-N190 WeakPolarHBondContact CE1-O 3.15Å; F142-N190 HydrophobicContact CE2-CB 3.77Å; F142-N190 HydrophobicContact CZ-CB 3.56Å; F142-N190 PolarHBondContact N-O 2.68Å; F142-N190 PolarHBondContact O-N 2.66Å; F142-V192 HydrophobicContact CE1-CG1 4.04Å
143	D	85.5	Confident	91.8	Very high	116 Å²	116	51.8 Å²	51.8	62%	0.62	30%	0.296	S	S	*	.	S	Bend	trans	-75.8	156.4	-179.1	-58.6	-41.6	0	0	0	112	K150 N189	D143-K150 WeakPolarHBondContact O-CE 3.24Å; D143-K150 PolarHBondContact O-NZ 2.9Å; D143-N189 PolarHBondContact OD1-ND2 3.5Å; D143-N189 PolarHBondContact OD1-OD1 2.62Å; D143-N189 VanDerWaalsContact OD1-OD1 3.07Å
144	G	81.9	Confident	91.8	Very high	43 Å²	43	50 Å²	50	44%	0.443	28%	0.275	S	S	.	.	S	Bend	trans	78.4	-178.7	175.3	0	0	0	0	0	114.4	N190	G144-N190 PolarHBondContact O-ND2 2.92Å
145	F	81.1	Confident	91.8	Very high	152 Å²	152	49 Å²	49	67%	0.667	26%	0.26	S	S	*	.			trans	-64.8	141.3	-175.6	-64.1	-74.8	0	0	0	112.5	K150	F145-K150 VanDerWaalsContact O-CD 3.23Å; F145-K150 WeakPolarHBondContact O-CD 3.45Å; F145-K150 PolarHBondContact O-NZ 3.41Å
146	S	86.1	Confident	91.7	Very high	11 Å²	11	52 Å²	52	8%	0.077	28%	0.277	C	S	.	.			trans	-74.1	141.2	169.5	175.3	0	0	0	0	110.1	W58 N151 N190	W58-S146 VanDerWaalsContact CH2-OG 3.23Å; W58-S146 WeakPolarHBondContact CH2-OG 3.48Å; S146-N151 PolarHBondContact OG-ND2 2.88Å; S146-N151 PolarHBondContact OG-OD1 2.85Å; S146-N151 VanDerWaalsContact OG-OD1 3.1Å; S146-N190 PolarHBondContact N-ND2 2.92Å
147	S	90.3	Very high	91.7	Very high	38 Å²	38	53.3 Å²	53.3	27%	0.266	29%	0.285	S	S	.	.			trans	-147.3	161.8	168.3	67.7	0	0	0	0	109.6	D59 Q149 K150 N151	D59-S147 WeakPolarHBondContact OD1-CA 3.24Å; S147-Q149 VanDerWaalsContact C-N 3.26Å; S147-Q149 PolarHBondContact O-N 3.41Å; S147-K150 PolarHBondContact O-N 3.4Å; S147-K150 VanDerWaalsContact O-N 3.14Å; S147-K150 WeakPolarHBondContact OG-CB 3.4Å; S147-K150 PolarHBondContact OG-N 2.89Å; S147-N151 WeakPolarHBondContact O-CB 3.49Å; S147-N151 PolarHBondContact O-N 2.92Å; S147-N151 PolarHBondContact O-ND2 2.81Å
148	G	89.5	Confident	91.6	Very high	22 Å²	22	53.3 Å²	53.3	23%	0.227	29%	0.285	C	S	.	.	H	α-helix	trans	-52.4	-45.2	177.1	0	0	0	0	0	112.7	D59 Q152	D59-G148 PolarHBondContact OD2-N 2.78Å; G148-Q152 PolarHBondContact O-N 2.83Å; G148-Q152 VanDerWaalsContact O-N 3.14Å
149	Q	91.6	Very high	91.6	Very high	136 Å²	136	53.7 Å²	53.7	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-61.3	-49.4	176.9	-179	-179.6	3.9	0	0	112.3	S147 N151 Q152 E153	S147-Q149 VanDerWaalsContact C-N 3.26Å; S147-Q149 PolarHBondContact O-N 3.41Å; Q149-N151 VanDerWaalsContact C-N 3.34Å; Q149-N151 PolarHBondContact O-N 2.91Å; Q149-Q152 WeakPolarHBondContact O-CB 3.38Å; Q149-Q152 PolarHBondContact O-N 2.98Å; Q149-E153 PolarHBondContact NE2-OE1 3.18Å; Q149-E153 PolarHBondContact O-N 3.21Å; Q149-E153 VanDerWaalsContact O-N 3.08Å
150	K	92.3	Very high	91.6	Very high	54 Å²	54	57.3 Å²	57.3	24%	0.235	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-38	-175.8	-166.3	174.6	-173.8	179.3	0	111.7	F142 D143 F145 S147 Q152 E153 Q154	F142-K150 HydrophobicContact CD2-CD 3.97Å; F142-K150 HydrophobicContact CD2-CG 4.28Å; F142-K150 HydrophobicContact CE2-CD 3.81Å; F142-K150 HydrophobicContact CE2-CG 4.09Å; D143-K150 WeakPolarHBondContact O-CE 3.24Å; D143-K150 PolarHBondContact O-NZ 2.9Å; F145-K150 VanDerWaalsContact O-CD 3.23Å; F145-K150 WeakPolarHBondContact O-CD 3.45Å; F145-K150 PolarHBondContact O-NZ 3.41Å; S147-K150 PolarHBondContact O-N 3.4Å; S147-K150 VanDerWaalsContact O-N 3.14Å; S147-K150 WeakPolarHBondContact OG-CB 3.4Å; S147-K150 PolarHBondContact OG-N 2.89Å; K150-Q152 VanDerWaalsContact C-N 3.3Å; K150-Q152 PolarHBondContact O-N 3.03Å; K150-E153 PolarHBondContact O-N 3.44Å; K150-Q154 WeakPolarHBondContact O-CG 3.22Å; K150-Q154 PolarHBondContact O-N 3.28Å
151	N	93.9	Very high	91.5	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-58.9	-44.3	174.1	-70.1	-21.1	0	0	0	110.7	W58 F142 S146 S147 Q149 E153 Q154 L155 T176 V192	W58-N151 WeakPolarHBondContact CH2-ND2 3.28Å; W58-N151 WeakPolarHBondContact CZ2-ND2 3.49Å; F142-N151 VanDerWaalsContact CZ-OD1 3.29Å; F142-N151 WeakPolarHBondContact CZ-OD1 3.4Å; S146-N151 PolarHBondContact OG-ND2 2.88Å; S146-N151 PolarHBondContact OG-OD1 2.85Å; S146-N151 VanDerWaalsContact OG-OD1 3.1Å; S147-N151 WeakPolarHBondContact O-CB 3.49Å; S147-N151 PolarHBondContact O-N 2.92Å; S147-N151 PolarHBondContact O-ND2 2.81Å; Q149-N151 VanDerWaalsContact C-N 3.34Å; Q149-N151 PolarHBondContact O-N 2.91Å; N151-E153 PolarHBondContact O-N 2.97Å; N151-Q154 PolarHBondContact O-N 2.82Å; N151-L155 WeakPolarHBondContact O-CB 3.46Å; N151-L155 WeakPolarHBondContact O-CD1 3.42Å; N151-L155 VanDerWaalsContact O-CG 3.24Å; N151-L155 WeakPolarHBondContact O-CG 3.42Å; N151-L155 PolarHBondContact O-N 3.29Å; N151-T176 HydrophobicContact CB-CG2 4.3Å; N151-V192 HydrophobicContact CB-CG1 4.07Å
152	Q	93.4	Very high	91.5	Very high	122 Å²	122	53.2 Å²	53.2	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-61.4	-44.7	176.7	-172.9	178	-2	0	0	112.5	G148 Q149 K150 Q154 L155 L156	G148-Q152 PolarHBondContact O-N 2.83Å; G148-Q152 VanDerWaalsContact O-N 3.14Å; Q149-Q152 WeakPolarHBondContact O-CB 3.38Å; Q149-Q152 PolarHBondContact O-N 2.98Å; K150-Q152 VanDerWaalsContact C-N 3.3Å; K150-Q152 PolarHBondContact O-N 3.03Å; Q152-Q154 PolarHBondContact O-N 3.26Å; Q152-L155 PolarHBondContact O-N 2.84Å; Q152-L156 HydrophobicContact CG-CD1 4.36Å; Q152-L156 WeakPolarHBondContact O-CG 3.33Å; Q152-L156 PolarHBondContact O-N 2.96Å
153	E	95.1	Very high	91.6	Very high	94 Å²	94	58.6 Å²	58.6	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-43.7	177.2	-69.8	170.6	-173	0	0	112	Q149 K150 N151 T157	Q149-E153 PolarHBondContact NE2-OE1 3.18Å; Q149-E153 PolarHBondContact O-N 3.21Å; Q149-E153 VanDerWaalsContact O-N 3.08Å; K150-E153 PolarHBondContact O-N 3.44Å; N151-E153 PolarHBondContact O-N 2.97Å; E153-T157 PolarHBondContact O-N 3.02Å; E153-T157 VanDerWaalsContact O-N 3.09Å; E153-T157 PolarHBondContact O-OG1 3.45Å
154	Q	95.5	Very high	91.9	Very high	33 Å²	33	61 Å²	61	15%	0.154	31%	0.311	C	S	.	.	H	α-helix	trans	-71	-35.7	178.6	-61.6	-55.2	-41.5	0	0	112.3	F142 K150 N151 Q152 T157 L158 V192	F142-Q154 HydrophobicContact CB-CG 4.01Å; F142-Q154 HydrophobicContact CD1-CB 4.09Å; F142-Q154 HydrophobicContact CD1-CG 3.62Å; F142-Q154 HydrophobicContact CD2-CG 4.39Å; F142-Q154 HydrophobicContact CE1-CB 4.43Å; F142-Q154 HydrophobicContact CE1-CG 4.17Å; F142-Q154 HydrophobicContact CG-CG 3.74Å; K150-Q154 WeakPolarHBondContact O-CG 3.22Å; K150-Q154 PolarHBondContact O-N 3.28Å; N151-Q154 PolarHBondContact O-N 2.82Å; Q152-Q154 PolarHBondContact O-N 3.26Å; Q154-T157 PolarHBondContact O-N 3.01Å; Q154-L158 WeakPolarHBondContact O-CB 3.26Å; Q154-L158 PolarHBondContact O-N 3.43Å; Q154-V192 HydrophobicContact CB-CG1 4.44Å; Q154-V192 HydrophobicContact CB-CG2 3.79Å
155	L	95.3	Very high	92.3	Very high	18 Å²	18	62.4 Å²	62.4	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-45.2	174.1	-79.1	162.5	0	0	0	111.8	N151 Q152 T157 L158 A159 F174 V192 L194	N151-L155 WeakPolarHBondContact O-CB 3.46Å; N151-L155 WeakPolarHBondContact O-CD1 3.42Å; N151-L155 VanDerWaalsContact O-CG 3.24Å; N151-L155 WeakPolarHBondContact O-CG 3.42Å; N151-L155 PolarHBondContact O-N 3.29Å; Q152-L155 PolarHBondContact O-N 2.84Å; L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 2.89Å; L155-L158 PolarHBondContact O-N 2.8Å; L155-A159 VanDerWaalsContact O-CB 3.28Å; L155-A159 WeakPolarHBondContact O-CB 3.43Å; L155-A159 PolarHBondContact O-N 3.11Å; L155-F174 HydrophobicContact CD1-CB 4.27Å; L155-F174 HydrophobicContact CD1-CD1 3.89Å; L155-F174 HydrophobicContact CD1-CD2 3.36Å; L155-F174 HydrophobicContact CD1-CE1 3.99Å; L155-F174 HydrophobicContact CD1-CE2 3.47Å; L155-F174 VanDerWaalsContact CD1-CE2 3.47Å; L155-F174 HydrophobicContact CD1-CG 3.57Å; L155-F174 HydrophobicContact CD1-CZ 3.77Å; L155-F174 HydrophobicContact CD2-CB 3.7Å; L155-F174 HydrophobicContact CD2-CD2 4.13Å; L155-F174 HydrophobicContact CD2-CG 3.96Å; L155-F174 HydrophobicContact CG-CD2 4.35Å; L155-F174 HydrophobicContact CG-CG 4.44Å; L155-V192 HydrophobicContact CD1-CG1 4.49Å; L155-V192 HydrophobicContact CD2-CB 3.79Å; L155-V192 HydrophobicContact CD2-CG1 4.42Å; L155-V192 HydrophobicContact CD2-CG2 4.12Å; L155-V192 HydrophobicContact CG-CB 3.87Å; L155-V192 HydrophobicContact CG-CG1 3.99Å; L155-V192 HydrophobicContact CG-CG2 4.11Å; L155-L194 HydrophobicContact CD2-CD2 3.9Å; L155-L194 HydrophobicContact CD2-CG 4.12Å
156	L	95	Very high	92.7	Very high	95 Å²	95	58 Å²	58	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-41.3	176.5	-72	172.8	0	0	0	111.1	Q152 A159 N160	Q152-L156 HydrophobicContact CG-CD1 4.36Å; Q152-L156 WeakPolarHBondContact O-CG 3.33Å; Q152-L156 PolarHBondContact O-N 2.96Å; L156-A159 PolarHBondContact O-N 3.34Å; L156-N160 WeakPolarHBondContact O-CB 3.42Å; L156-N160 PolarHBondContact O-N 3.21Å; L156-N160 PolarHBondContact O-ND2 3.27Å
157	T	95.1	Very high	92.9	Very high	54 Å²	54	61.1 Å²	61.1	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-48.6	176.2	-55.5	0	0	0	0	111.1	E153 Q154 L155 N160 I161	E153-T157 PolarHBondContact O-N 3.02Å; E153-T157 VanDerWaalsContact O-N 3.09Å; E153-T157 PolarHBondContact O-OG1 3.45Å; Q154-T157 PolarHBondContact O-N 3.01Å; L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 2.89Å; T157-N160 PolarHBondContact O-N 3.38Å; T157-I161 HydrophobicContact CG2-CD1 4.11Å; T157-I161 WeakPolarHBondContact O-CG1 3.3Å; T157-I161 PolarHBondContact O-N 3.03Å; T157-I161 VanDerWaalsContact O-N 3.16Å
158	L	95.2	Very high	93.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61	-47.8	177.4	178.9	58.4	0	0	0	111.5	Y38 F138 R140 Q154 L155 N160 I161 L162 V192 L194	Y38-L158 VanDerWaalsContact CB-CD1 3.45Å; Y38-L158 HydrophobicContact CD1-CD1 4.36Å; Y38-L158 HydrophobicContact CG-CD1 3.94Å; F138-L158 HydrophobicContact CB-CD1 4.39Å; F138-L158 HydrophobicContact CB-CD2 4.44Å; R140-L158 HydrophobicContact CB-CB 4.14Å; R140-L158 HydrophobicContact CB-CD1 4.16Å; R140-L158 HydrophobicContact CB-CD2 3.99Å; R140-L158 HydrophobicContact CB-CG 4.31Å; Q154-L158 WeakPolarHBondContact O-CB 3.26Å; Q154-L158 PolarHBondContact O-N 3.43Å; L155-L158 PolarHBondContact O-N 2.8Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 2.9Å; L158-I161 PolarHBondContact O-N 3.26Å; L158-L162 HydrophobicContact CD1-CD1 4.09Å; L158-L162 HydrophobicContact CD1-CD2 4.44Å; L158-L162 HydrophobicContact CD1-CG 4.04Å; L158-L162 HydrophobicContact CG-CD1 3.97Å; L158-L162 HydrophobicContact CG-CG 4.34Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.83Å; L158-V192 HydrophobicContact CD2-CG2 4.48Å; L158-L194 HydrophobicContact CB-CD1 4.39Å; L158-L194 HydrophobicContact CD2-CB 4.29Å; L158-L194 HydrophobicContact CD2-CD1 3.96Å; L158-L194 HydrophobicContact CD2-CG 3.98Å; L158-L194 HydrophobicContact CG-CD1 3.92Å; L158-L194 HydrophobicContact CG-CG 4.49Å
159	A	95	Very high	93.3	Very high	8 Å²	8	62.3 Å²	62.3	7%	0.066	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-39.7	179.2	0	0	0	0	0	112.4	L155 L156 L162 R163 F169 L194	L155-A159 VanDerWaalsContact O-CB 3.28Å; L155-A159 WeakPolarHBondContact O-CB 3.43Å; L155-A159 PolarHBondContact O-N 3.11Å; L156-A159 PolarHBondContact O-N 3.34Å; A159-L162 PolarHBondContact O-N 2.86Å; A159-R163 WeakPolarHBondContact O-CB 3.43Å; A159-R163 VanDerWaalsContact O-CG 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.38Å; A159-R163 PolarHBondContact O-N 2.95Å; A159-F169 HydrophobicContact CB-CE2 4.12Å; A159-F169 HydrophobicContact CB-CZ 3.77Å; A159-L194 HydrophobicContact CB-CD1 4.01Å
160	N	94.3	Very high	93.4	Very high	78 Å²	78	57.3 Å²	57.3	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-46.5	177.3	-72.1	-17.1	0	0	0	111.7	L156 T157 L158 L162 R163 E164	L156-N160 WeakPolarHBondContact O-CB 3.42Å; L156-N160 PolarHBondContact O-N 3.21Å; L156-N160 PolarHBondContact O-ND2 3.27Å; T157-N160 PolarHBondContact O-N 3.38Å; L158-N160 VanDerWaalsContact C-N 3.3Å; L158-N160 PolarHBondContact O-N 2.9Å; N160-L162 VanDerWaalsContact C-N 3.34Å; N160-L162 PolarHBondContact O-N 3Å; N160-R163 PolarHBondContact O-N 3.04Å; N160-R163 PolarHBondContact OD1-NH1 2.92Å; N160-E164 WeakPolarHBondContact O-CG 3.48Å; N160-E164 PolarHBondContact O-N 2.75Å
161	I	92.6	Very high	93.4	Very high	28 Å²	28	60.9 Å²	60.9	14%	0.144	31%	0.311	C	S	.	.	H	α-helix	trans	-58.1	-48.4	175.7	-66	162.5	0	0	0	110.5	Y38 T157 L158 R163 E164 E165	Y38-I161 HydrophobicContact CD1-CG2 3.65Å; Y38-I161 HydrophobicContact CE1-CG2 3.67Å; T157-I161 HydrophobicContact CG2-CD1 4.11Å; T157-I161 WeakPolarHBondContact O-CG1 3.3Å; T157-I161 PolarHBondContact O-N 3.03Å; T157-I161 VanDerWaalsContact O-N 3.16Å; L158-I161 PolarHBondContact O-N 3.26Å; I161-R163 VanDerWaalsContact C-N 3.3Å; I161-R163 PolarHBondContact O-N 2.89Å; I161-E164 PolarHBondContact O-N 3.3Å; I161-E165 PolarHBondContact O-N 3.41Å
162	L	92.4	Very high	93.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-38.1	-179.8	-68.3	177	0	0	0	112.3	Y38 F138 L158 A159 N160 E165 G166 K167 F169 L194	Y38-L162 HydrophobicContact CD1-CD2 4.22Å; Y38-L162 HydrophobicContact CD2-CD2 4.09Å; Y38-L162 HydrophobicContact CE1-CD2 3.93Å; Y38-L162 HydrophobicContact CE2-CD2 3.76Å; Y38-L162 HydrophobicContact CG-CD2 4.31Å; F138-L162 HydrophobicContact CB-CD1 3.75Å; F138-L162 HydrophobicContact CB-CD2 3.97Å; F138-L162 HydrophobicContact CB-CG 4.45Å; F138-L162 HydrophobicContact CD1-CD2 3.52Å; F138-L162 HydrophobicContact CD2-CD1 3.58Å; F138-L162 HydrophobicContact CD2-CD2 4Å; F138-L162 HydrophobicContact CD2-CG 4.45Å; F138-L162 HydrophobicContact CE1-CD2 3.93Å; F138-L162 HydrophobicContact CE2-CD1 4.31Å; F138-L162 HydrophobicContact CE2-CD2 4.37Å; F138-L162 HydrophobicContact CG-CD1 3.7Å; F138-L162 HydrophobicContact CG-CD2 3.55Å; F138-L162 HydrophobicContact CG-CG 4.29Å; F138-L162 HydrophobicContact CZ-CD2 4.35Å; L158-L162 HydrophobicContact CD1-CD1 4.09Å; L158-L162 HydrophobicContact CD1-CD2 4.44Å; L158-L162 HydrophobicContact CD1-CG 4.04Å; L158-L162 HydrophobicContact CG-CD1 3.97Å; L158-L162 HydrophobicContact CG-CG 4.34Å; L158-L162 VanDerWaalsContact O-CG 3.28Å; L158-L162 WeakPolarHBondContact O-CG 3.45Å; L158-L162 PolarHBondContact O-N 2.83Å; A159-L162 PolarHBondContact O-N 2.86Å; N160-L162 VanDerWaalsContact C-N 3.34Å; N160-L162 PolarHBondContact O-N 3Å; L162-E165 CarbonylContact O-C 3.48Å; L162-E165 PolarHBondContact O-N 3.3Å; L162-G166 PolarHBondContact O-N 2.83Å; L162-G166 VanDerWaalsContact O-N 3.11Å; L162-K167 HydrophobicContact CB-CB 4.11Å; L162-K167 HydrophobicContact CD2-CB 3.95Å; L162-K167 HydrophobicContact CD2-CG 3.97Å; L162-K167 PolarHBondContact O-N 3.47Å; L162-F169 HydrophobicContact CB-CD1 3.79Å; L162-F169 HydrophobicContact CB-CE1 3.62Å; L162-F169 HydrophobicContact CD1-CB 4.5Å; L162-F169 HydrophobicContact CD1-CD1 3.71Å; L162-F169 HydrophobicContact CD1-CE1 4.08Å; L162-F169 HydrophobicContact CD1-CG 4.08Å; L162-F169 HydrophobicContact CG-CD1 4.42Å; L162-L194 HydrophobicContact CD1-CB 4.21Å; L162-L194 HydrophobicContact CD1-CD1 3.81Å
163	R	92.8	Very high	93.4	Very high	126 Å²	126	63 Å²	63	48%	0.475	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-41.4	175.4	-73.2	175.2	-168.6	134.7	-0.7	112.4	A159 N160 I161 E165 G166 F169 E171	A159-R163 WeakPolarHBondContact O-CB 3.43Å; A159-R163 VanDerWaalsContact O-CG 3.26Å; A159-R163 WeakPolarHBondContact O-CG 3.38Å; A159-R163 PolarHBondContact O-N 2.95Å; N160-R163 PolarHBondContact O-N 3.04Å; N160-R163 PolarHBondContact OD1-NH1 2.92Å; I161-R163 VanDerWaalsContact C-N 3.3Å; I161-R163 PolarHBondContact O-N 2.89Å; R163-E165 PolarHBondContact O-N 3.37Å; R163-G166 PolarHBondContact O-N 3.13Å; R163-G166 VanDerWaalsContact O-N 3.12Å; R163-F169 HydrophobicContact CG-CE1 4.15Å; R163-F169 HydrophobicContact CG-CZ 4.32Å; R163-E171 IonicContact CZ-OE1 2.76Å; R163-E171 IonicContact NE-OE1 2.66Å; R163-E171 PolarHBondContact NE-OE1 2.83Å; R163-E171 IonicContact NH2-OE1 3.97Å; R163-E171 PolarHBondContact NH2-OE1 3.19Å
164	E	91.5	Very high	93.5	Very high	167 Å²	167	60.5 Å²	60.5	78%	0.78	31%	0.307	S	S	*	.	H	α-helix	trans	-61.3	-35.3	175.9	-73.6	176.1	176.9	0	0	111.6	N160 I161 G166	N160-E164 WeakPolarHBondContact O-CG 3.48Å; N160-E164 PolarHBondContact O-N 2.75Å; I161-E164 PolarHBondContact O-N 3.3Å; E164-G166 VanDerWaalsContact C-N 3.35Å
165	E	89.8	Confident	93.6	Very high	72 Å²	72	59.5 Å²	59.5	34%	0.336	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3	176.5	-66.6	-174.6	-157.9	0	0	114.3	Y38 I161 L162 R163 K167	Y38-E165 WeakPolarHBondContact CE1-OE2 3.48Å; Y38-E165 PolarHBondContact OH-OE2 3.05Å; I161-E165 PolarHBondContact O-N 3.41Å; L162-E165 CarbonylContact O-C 3.48Å; L162-E165 PolarHBondContact O-N 3.3Å; R163-E165 PolarHBondContact O-N 3.37Å; E165-K167 VanDerWaalsContact C-N 3.28Å; E165-K167 HydrophobicContact CB-CG 4.21Å; E165-K167 PolarHBondContact O-N 3.48Å
166	G	90.1	Very high	93.6	Very high	60 Å²	60	58.8 Å²	58.8	62%	0.619	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	22.1	178.5	0	0	0	0	0	114.8	L162 R163 E164	L162-G166 PolarHBondContact O-N 2.83Å; L162-G166 VanDerWaalsContact O-N 3.11Å; R163-G166 PolarHBondContact O-N 3.13Å; R163-G166 VanDerWaalsContact O-N 3.12Å; E164-G166 VanDerWaalsContact C-N 3.35Å
167	K	91	Very high	93.6	Very high	76 Å²	76	54.3 Å²	54.3	33%	0.33	28%	0.275	S	S	.	.			trans	-77.9	139.4	176.5	-58.5	-62.8	-176.3	179.4	0	110.8	Y38 F138 L162 E165	Y38-K167 WeakPolarHBondContact OH-CE 3.37Å; F138-K167 HydrophobicContact CE1-CB 4.31Å; F138-K167 HydrophobicContact CE1-CD 4.31Å; F138-K167 HydrophobicContact CE1-CG 4.22Å; F138-K167 HydrophobicContact CE2-CB 4.4Å; F138-K167 HydrophobicContact CZ-CB 3.89Å; F138-K167 HydrophobicContact CZ-CD 4.36Å; F138-K167 HydrophobicContact CZ-CG 4.25Å; L162-K167 HydrophobicContact CB-CB 4.11Å; L162-K167 HydrophobicContact CD2-CB 3.95Å; L162-K167 HydrophobicContact CD2-CG 3.97Å; L162-K167 PolarHBondContact O-N 3.47Å; E165-K167 VanDerWaalsContact C-N 3.28Å; E165-K167 HydrophobicContact CB-CG 4.21Å; E165-K167 PolarHBondContact O-N 3.48Å
168	V	93.1	Very high	93.3	Very high	72 Å²	72	52.1 Å²	52.1	44%	0.436	26%	0.263	S	S	.	.			trans	-99.1	126.6	178.4	-168	0	0	0	0	110	K197	V168-K197 HydrophobicContact CG1-CB 3.98Å; V168-K197 PolarHBondContact O-N 2.98Å; V168-K197 VanDerWaalsContact O-N 3.09Å
169	F	94.6	Very high	92.6	Very high	13 Å²	13	52.3 Å²	52.3	6%	0.057	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-140.8	167.6	-178.4	60.5	-88.8	0	0	0	112.1	F138 A159 L162 R163 E171 L194 I195	F138-F169 HydrophobicContact CD2-CB 4.11Å; F138-F169 HydrophobicContact CE2-CB 4.01Å; A159-F169 HydrophobicContact CB-CE2 4.12Å; A159-F169 HydrophobicContact CB-CZ 3.77Å; L162-F169 HydrophobicContact CB-CD1 3.79Å; L162-F169 HydrophobicContact CB-CE1 3.62Å; L162-F169 HydrophobicContact CD1-CB 4.5Å; L162-F169 HydrophobicContact CD1-CD1 3.71Å; L162-F169 HydrophobicContact CD1-CE1 4.08Å; L162-F169 HydrophobicContact CD1-CG 4.08Å; L162-F169 HydrophobicContact CG-CD1 4.42Å; R163-F169 HydrophobicContact CG-CE1 4.15Å; R163-F169 HydrophobicContact CG-CZ 4.32Å; F169-E171 HydrophobicContact CD2-CG 4.16Å; F169-E171 HydrophobicContact CE2-CG 3.74Å; F169-E171 HydrophobicContact CZ-CG 4.31Å; F169-E171 PolarHBondContact O-N 3.48Å; F169-L194 HydrophobicContact CB-CB 4.29Å; F169-L194 HydrophobicContact CD2-CB 4.14Å; F169-L194 HydrophobicContact CD2-CD1 3.79Å; F169-L194 HydrophobicContact CD2-CD2 4.19Å; F169-L194 HydrophobicContact CD2-CG 4.27Å; F169-L194 HydrophobicContact CE2-CD1 3.76Å; F169-L194 HydrophobicContact CE2-CD2 4.46Å; F169-L194 HydrophobicContact CG-CB 4.37Å; F169-L194 HydrophobicContact CG-CD1 4.37Å; F169-L194 HydrophobicContact CZ-CD1 4.33Å; F169-I195 CarbonylContact C-O 3.52Å; F169-I195 WeakPolarHBondContact CA-O 3.4Å; F169-I195 WeakPolarHBondContact CB-O 3.38Å
170	N	94.2	Very high	91	Very high	31 Å²	31	52.8 Å²	52.8	17%	0.166	27%	0.266	C	S	.	.			trans	-77.6	108.4	175.1	-164	-13.1	0	0	0	111	K172 V173 I195 K197	N170-K172 VanDerWaalsContact C-N 3.29Å; N170-K172 PolarHBondContact O-N 2.95Å; N170-K172 WeakPolarHBondContact OD1-CB 3.22Å; N170-K172 PolarHBondContact OD1-N 3.45Å; N170-V173 HydrophobicContact CB-CG2 4.24Å; N170-V173 VanDerWaalsContact ND2-CG2 3.29Å; N170-V173 WeakPolarHBondContact ND2-CG2 3.36Å; N170-I195 HydrophobicContact CB-CB 4.22Å; N170-I195 PolarHBondContact N-O 2.9Å; N170-K197 HydrophobicContact CB-CD 4.42Å; N170-K197 HydrophobicContact CB-CG 4.23Å
171	E	91.8	Very high	89.2	Confident	128 Å²	128	50.3 Å²	50.3	60%	0.598	26%	0.255	S	S	*	.	S	Bend	trans	-79.7	-8.4	178.2	-58.2	-163.5	127	0	0	114.2	R163 F169	R163-E171 IonicContact CZ-OE1 2.76Å; R163-E171 IonicContact NE-OE1 2.66Å; R163-E171 PolarHBondContact NE-OE1 2.83Å; R163-E171 IonicContact NH2-OE1 3.97Å; R163-E171 PolarHBondContact NH2-OE1 3.19Å; F169-E171 HydrophobicContact CD2-CG 4.16Å; F169-E171 HydrophobicContact CE2-CG 3.74Å; F169-E171 HydrophobicContact CZ-CG 4.31Å; F169-E171 PolarHBondContact O-N 3.48Å
172	K	91.6	Very high	87.2	Confident	160 Å²	160	50.8 Å²	50.8	70%	0.696	26%	0.26	S	S	*	.	S	Bend	trans	-89.7	-25.2	-174.9	-65.1	-173.2	177.7	-175.8	0	113.4	P95 N170	P95-K172 WeakPolarHBondContact CD-O 3.07Å; N170-K172 VanDerWaalsContact C-N 3.29Å; N170-K172 PolarHBondContact O-N 2.95Å; N170-K172 WeakPolarHBondContact OD1-CB 3.22Å; N170-K172 PolarHBondContact OD1-N 3.45Å
173	V	95.6	Very high	85.7	Confident	10 Å²	10	57.2 Å²	57.2	6%	0.061	29%	0.288	C	S	.	.			trans	-144.6	154.6	-168.7	-55.3	0	0	0	0	108.9	Y92 V93 E94 N170 I195	Y92-V173 HydrophobicContact CE2-CB 3.59Å; Y92-V173 HydrophobicContact CE2-CG1 4.31Å; Y92-V173 HydrophobicContact CE2-CG2 3.52Å; Y92-V173 WeakPolarHBondContact OH-CG1 3.24Å; Y92-V173 WeakPolarHBondContact OH-CG2 3.17Å; V93-V173 WeakPolarHBondContact O-CA 3.39Å; E94-V173 HydrophobicContact CG-CG1 3.88Å; N170-V173 HydrophobicContact CB-CG2 4.24Å; N170-V173 VanDerWaalsContact ND2-CG2 3.29Å; N170-V173 WeakPolarHBondContact ND2-CG2 3.36Å; V173-I195 HydrophobicContact CG2-CD1 3.84Å
174	F	96.8	Very high	84.3	Confident	41 Å²	41	57.8 Å²	57.8	18%	0.18	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	164.8	178.7	62	-92.1	0	0	0	110.6	V93 L155 T176 L194	V93-F174 HydrophobicContact CB-CD1 4.23Å; V93-F174 HydrophobicContact CB-CD2 4.21Å; V93-F174 HydrophobicContact CB-CE1 3.72Å; V93-F174 HydrophobicContact CB-CE2 3.7Å; V93-F174 HydrophobicContact CB-CG 4.47Å; V93-F174 HydrophobicContact CB-CZ 3.45Å; V93-F174 VanDerWaalsContact CB-CZ 3.45Å; V93-F174 HydrophobicContact CG1-CE1 3.77Å; V93-F174 HydrophobicContact CG1-CE2 4.34Å; V93-F174 HydrophobicContact CG1-CZ 3.6Å; V93-F174 HydrophobicContact CG2-CD2 4.27Å; V93-F174 HydrophobicContact CG2-CE1 4.45Å; V93-F174 HydrophobicContact CG2-CE2 3.56Å; V93-F174 HydrophobicContact CG2-CZ 3.68Å; V93-F174 PolarHBondContact N-O 3.1Å; V93-F174 PolarHBondContact O-N 3.31Å; L155-F174 HydrophobicContact CD1-CB 4.27Å; L155-F174 HydrophobicContact CD1-CD1 3.89Å; L155-F174 HydrophobicContact CD1-CD2 3.36Å; L155-F174 HydrophobicContact CD1-CE1 3.99Å; L155-F174 HydrophobicContact CD1-CE2 3.47Å; L155-F174 VanDerWaalsContact CD1-CE2 3.47Å; L155-F174 HydrophobicContact CD1-CG 3.57Å; L155-F174 HydrophobicContact CD1-CZ 3.77Å; L155-F174 HydrophobicContact CD2-CB 3.7Å; L155-F174 HydrophobicContact CD2-CD2 4.13Å; L155-F174 HydrophobicContact CD2-CG 3.96Å; L155-F174 HydrophobicContact CG-CD2 4.35Å; L155-F174 HydrophobicContact CG-CG 4.44Å; F174-T176 HydrophobicContact CD2-CG2 4.23Å; F174-T176 HydrophobicContact CE2-CG2 3.95Å; F174-L194 HydrophobicContact CB-CD2 4.02Å
175	Y	97.9	Very high	82.8	Confident	12 Å²	12	51.3 Å²	51.3	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	153.6	168.8	-72.7	-94.9	0	0	0	111.9	S91 Y92 M135 V192 W193 I195	S91-Y175 CarbonylContact O-C 3.44Å; S91-Y175 WeakPolarHBondContact O-CA 3.42Å; Y92-Y175 HydrophobicContact CD2-CD1 4.22Å; Y92-Y175 AromaticContact CD2-CD2 3.91Å; Y92-Y175 HydrophobicContact CD2-CD2 3.91Å; Y92-Y175 AromaticContact CD2-CE1 3.79Å; Y92-Y175 HydrophobicContact CD2-CE1 3.79Å; Y92-Y175 AromaticContact CD2-CE2 3.43Å; Y92-Y175 HydrophobicContact CD2-CE2 3.43Å; Y92-Y175 VanDerWaalsContact CD2-CE2 3.43Å; Y92-Y175 HydrophobicContact CD2-CG 4.27Å; Y92-Y175 AromaticContact CD2-CZ 3.35Å; Y92-Y175 AromaticContact CE2-CE2 3.9Å; Y92-Y175 HydrophobicContact CE2-CE2 3.9Å; Y92-Y175 HydrophobicContact CG-CE1 4.04Å; Y92-Y175 HydrophobicContact CG-CE2 4.43Å; Y92-Y175 AromaticContact CG-CZ 3.93Å; M135-Y175 HydrophobicContact CE-CE2 4.39Å; M135-Y175 HydrophobicContact SD-CE2 3.95Å; Y175-V192 WeakPolarHBondContact O-CA 3.48Å; Y175-W193 HydrophobicContact CG-CE3 4.1Å; Y175-W193 PolarHBondContact N-O 2.97Å; Y175-W193 PolarHBondContact O-N 3.29Å; Y175-I195 HydrophobicContact CD2-CD1 4.13Å; Y175-I195 HydrophobicContact CD2-CG1 4.07Å; Y175-I195 HydrophobicContact CE2-CD1 3.66Å; Y175-I195 HydrophobicContact CE2-CG1 4Å
176	T	96.4	Very high	81.5	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.025	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.4	159.8	67.9	0	0	0	0	108.4	W58 T90 S91 N151 F174 E191	W58-T176 HydrophobicContact CZ2-CG2 3.91Å; W58-T176 WeakPolarHBondContact CZ2-OG1 3.45Å; T90-T176 CarbonylContact C-O 3.32Å; T90-T176 WeakPolarHBondContact CA-O 3.31Å; S91-T176 WeakPolarHBondContact CB-OG1 3.37Å; S91-T176 PolarHBondContact N-O 3.01Å; S91-T176 PolarHBondContact O-N 2.84Å; S91-T176 PolarHBondContact OG-OG1 3.43Å; N151-T176 HydrophobicContact CB-CG2 4.3Å; F174-T176 HydrophobicContact CD2-CG2 4.23Å; F174-T176 HydrophobicContact CE2-CG2 3.95Å; T176-E191 CarbonylContact C-O 3.54Å; T176-E191 WeakPolarHBondContact CA-O 3.31Å
177	A	94.6	Very high	80.4	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	111.5	171.4	0	0	0	0	0	110.2	P88 T90 Y179 E191 W193	P88-A177 HydrophobicContact CB-CB 3.73Å; P88-A177 HydrophobicContact CG-CB 3.71Å; T90-A177 HydrophobicContact CG2-CB 4.43Å; A177-Y179 HydrophobicContact CB-CE2 3.93Å; A177-E191 HydrophobicContact CB-CB 4.21Å; A177-E191 PolarHBondContact N-O 3.18Å; A177-E191 PolarHBondContact O-N 3.13Å; A177-W193 HydrophobicContact CB-CH2 4.27Å; A177-W193 HydrophobicContact CB-CZ2 3.46Å; A177-W193 VanDerWaalsContact CB-CZ2 3.46Å
178	G	88.1	Confident	79.5	Confident	8 Å²	8	56.8 Å²	56.8	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.4	177.3	0	0	0	0	0	110.9	P88 V89 N190	P88-G178 WeakPolarHBondContact CA-O 3.29Å; P88-G178 WeakPolarHBondContact CB-O 3.49Å; V89-G178 PolarHBondContact N-O 2.96Å; V89-G178 PolarHBondContact O-N 2.85Å; G178-N190 WeakPolarHBondContact CA-OD1 3.44Å
179	Y	80.6	Confident	79.1	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.016	27%	0.27	C	S	.	.	S	Bend	trans	-102.8	-17.4	171.1	-59.2	-94.5	0	0	0	111.4	M22 A87 P88 A177 L185 L186 R188 N189 N190 E191	M22-Y179 HydrophobicContact SD-CE1 4.13Å; A87-Y179 HydrophobicContact CB-CD1 4.09Å; P88-Y179 HydrophobicContact CB-CD1 3.88Å; P88-Y179 HydrophobicContact CB-CD2 4.16Å; P88-Y179 HydrophobicContact CB-CE1 3.62Å; P88-Y179 HydrophobicContact CB-CE2 3.89Å; P88-Y179 HydrophobicContact CB-CG 4.16Å; P88-Y179 HydrophobicContact CG-CE1 3.89Å; P88-Y179 HydrophobicContact CG-CE2 4.33Å; A177-Y179 HydrophobicContact CB-CE2 3.93Å; Y179-L185 WeakPolarHBondContact O-CA 3.32Å; Y179-L185 VanDerWaalsContact O-CB 3.23Å; Y179-L185 WeakPolarHBondContact O-CB 3.34Å; Y179-L185 PolarHBondContact O-N 3.2Å; Y179-L186 HydrophobicContact CD1-CD1 4.22Å; Y179-L186 PolarHBondContact O-N 3.01Å; Y179-R188 HydrophobicContact CD1-CB 4.4Å; Y179-R188 HydrophobicContact CD1-CG 4.37Å; Y179-R188 HydrophobicContact CD2-CG 4.4Å; Y179-R188 HydrophobicContact CG-CB 4.11Å; Y179-R188 HydrophobicContact CG-CG 4.19Å; Y179-N189 WeakPolarHBondContact CD2-O 3.44Å; Y179-N190 PolarHBondContact N-OD1 3.24Å; Y179-N190 VanDerWaalsContact N-OD1 3.16Å; Y179-E191 VanDerWaalsContact CE2-CD 3.45Å; Y179-E191 HydrophobicContact CE2-CG 3.85Å; Y179-E191 WeakPolarHBondContact CE2-OE2 2.93Å; Y179-E191 PolarHBondContact OH-OE2 2.93Å
180	S	62	Low	78.9	Confident	17 Å²	17	55.6 Å²	55.6	12%	0.119	27%	0.267	C	S	.	.	S	Bend	trans	-122.6	3.8	-177.4	49.7	0	0	0	0	114.5	F183 N190	S180-F183 CarbonylContact C-O 3.58Å; S180-F183 WeakPolarHBondContact CA-O 3.32Å; S180-F183 CarbonylContact O-C 3.54Å; S180-N190 PolarHBondContact N-OD1 3.28Å; S180-N190 PolarHBondContact OG-ND2 3.03Å; S180-N190 PolarHBondContact OG-OD1 3.37Å; S180-N190 VanDerWaalsContact OG-OD1 3.12Å
181	S	56	Low	78.9	Confident	26 Å²	26	54.4 Å²	54.4	18%	0.182	26%	0.261	C	S	.	.	S	Bend	trans	-140	140.9	-178.7	-174.5	0	0	0	0	110.3	F183	S181-F183 VanDerWaalsContact C-N 3.29Å; S181-F183 PolarHBondContact N-O 3.01Å
182	P	51.4	Low	79.2	Confident	38 Å²	38	48.3 Å²	48.3	25%	0.247	23%	0.232	C	C	.	.	S	Bend	cis	-76	-6.4	1.8	30.3	-34.2	0	0	0	114.6	F66	F66-P182 HydrophobicContact CB-CG 3.92Å; F66-P182 HydrophobicContact CD1-CG 3.49Å; F66-P182 VanDerWaalsContact CD1-CG 3.49Å; F66-P182 HydrophobicContact CD2-CG 4.07Å; F66-P182 HydrophobicContact CE1-CG 4.02Å; F66-P182 HydrophobicContact CG-CG 3.52Å; F66-P182 HydrophobicContact CZ-CG 4.49Å
183	F	59.3	Low	79.4	Confident	135 Å²	135	40.9 Å²	40.9	59%	0.592	20%	0.2	S	C	*	.	S	Bend	trans	-128.7	154	171.5	-61.5	-77.4	0	0	0	110.1	F66 S180 S181 L185	F66-F183 HydrophobicContact CD1-CD2 4.44Å; F66-F183 HydrophobicContact CD1-CE2 4.21Å; F66-F183 AromaticContact CE1-CD2 3.68Å; F66-F183 HydrophobicContact CE1-CD2 3.68Å; F66-F183 AromaticContact CE1-CE2 3.63Å; F66-F183 HydrophobicContact CE1-CE2 3.63Å; F66-F183 HydrophobicContact CZ-CD2 4.12Å; F66-F183 HydrophobicContact CZ-CE2 4.49Å; S180-F183 CarbonylContact C-O 3.58Å; S180-F183 WeakPolarHBondContact CA-O 3.32Å; S180-F183 CarbonylContact O-C 3.54Å; S181-F183 VanDerWaalsContact C-N 3.29Å; S181-F183 PolarHBondContact N-O 3.01Å; F183-L185 HydrophobicContact CB-CD2 4.35Å; F183-L185 PolarHBondContact O-N 3.37Å
184	Q	63.9	Low	79.5	Confident	139 Å²	139	40.9 Å²	40.9	65%	0.65	20%	0.2	S	C	*	.			trans	-72.8	87.3	176.8	-162	168.5	9.8	0	0	110.4
185	L	60.3	Low	79.5	Confident	30 Å²	30	40.3 Å²	40.3	16%	0.157	20%	0.198	C	C	.	.			trans	-76.6	-39.2	-178.7	-51.9	178.9	0	0	0	111.4	L85 A87 V89 Y179 F183	L85-L185 HydrophobicContact CD2-CD2 3.46Å; L85-L185 VanDerWaalsContact CD2-CD2 3.46Å; L85-L185 HydrophobicContact CG-CD2 4.34Å; A87-L185 HydrophobicContact CB-CB 4.47Å; A87-L185 HydrophobicContact CB-CD1 4.25Å; V89-L185 HydrophobicContact CG2-CD1 3.86Å; Y179-L185 WeakPolarHBondContact O-CA 3.32Å; Y179-L185 VanDerWaalsContact O-CB 3.23Å; Y179-L185 WeakPolarHBondContact O-CB 3.34Å; Y179-L185 PolarHBondContact O-N 3.2Å; F183-L185 HydrophobicContact CB-CD2 4.35Å; F183-L185 PolarHBondContact O-N 3.37Å
186	L	61.7	Low	79.3	Confident	50 Å²	50	43 Å²	43	26%	0.262	21%	0.211	S	C	.	.	S	Bend	trans	-143.8	151.9	178.1	-68.3	172.9	0	0	0	109.8	V20 M22 A87 Y179 R188	V20-L186 HydrophobicContact CB-CD1 4.37Å; V20-L186 HydrophobicContact CB-CD2 4.04Å; V20-L186 HydrophobicContact CB-CG 4.28Å; V20-L186 HydrophobicContact CG2-CD2 4.01Å; V20-L186 HydrophobicContact CG2-CG 4.44Å; M22-L186 HydrophobicContact SD-CD1 3.93Å; A87-L186 HydrophobicContact CB-CD1 3.92Å; Y179-L186 HydrophobicContact CD1-CD1 4.22Å; Y179-L186 PolarHBondContact O-N 3.01Å; L186-R188 HydrophobicContact CB-CB 4.07Å; L186-R188 PolarHBondContact O-N 3.24Å
187	E	68.1	Low	79.1	Confident	192 Å²	192	47.2 Å²	47.2	90%	0.897	23%	0.229	S	C	*	.	S	Bend	trans	-74.3	60	166.3	-67.4	-170	115.9	0	0	110.4
188	R	71.3	Confident	78	Confident	81 Å²	81	53.5 Å²	53.5	31%	0.306	26%	0.262	S	S	.	.			trans	-130.1	146	-176.7	-169.3	171	171.9	162.7	1.5	110.7	M22 Y179 L186 E191	M22-R188 PolarHBondContact SD-NH1 2.98Å; M22-R188 VanDerWaalsContact SD-NH1 3.37Å; Y179-R188 HydrophobicContact CD1-CB 4.4Å; Y179-R188 HydrophobicContact CD1-CG 4.37Å; Y179-R188 HydrophobicContact CD2-CG 4.4Å; Y179-R188 HydrophobicContact CG-CB 4.11Å; Y179-R188 HydrophobicContact CG-CG 4.19Å; L186-R188 HydrophobicContact CB-CB 4.07Å; L186-R188 PolarHBondContact O-N 3.24Å; R188-E191 IonicContact NE-OE1 2.84Å; R188-E191 IonicContact NH2-OE1 2.94Å; R188-E191 PolarHBondContact NH2-OE1 2.71Å
189	N	84.5	Confident	76.3	Confident	60 Å²	60	60.6 Å²	60.6	32%	0.321	29%	0.293	S	S	.	.			trans	-64.1	143.8	178.7	-73.8	-5.4	0	0	0	111.3	F142 D143 Y179	F142-N189 WeakPolarHBondContact O-CB 3.38Å; D143-N189 PolarHBondContact OD1-ND2 3.5Å; D143-N189 PolarHBondContact OD1-OD1 2.62Å; D143-N189 VanDerWaalsContact OD1-OD1 3.07Å; Y179-N189 WeakPolarHBondContact CD2-O 3.44Å
190	N	90.9	Very high	74.4	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	154.7	171.7	-63.8	-54.4	0	0	0	109.1	S141 F142 G144 S146 G178 Y179 S180	S141-N190 CarbonylContact C-O 3.58Å; S141-N190 WeakPolarHBondContact CA-O 3.38Å; F142-N190 VanDerWaalsContact CD1-O 3.31Å; F142-N190 WeakPolarHBondContact CD1-O 3.38Å; F142-N190 HydrophobicContact CD2-CB 4.47Å; F142-N190 HydrophobicContact CE1-CB 4.09Å; F142-N190 WeakPolarHBondContact CE1-O 3.15Å; F142-N190 HydrophobicContact CE2-CB 3.77Å; F142-N190 HydrophobicContact CZ-CB 3.56Å; F142-N190 PolarHBondContact N-O 2.68Å; F142-N190 PolarHBondContact O-N 2.66Å; G144-N190 PolarHBondContact O-ND2 2.92Å; S146-N190 PolarHBondContact N-ND2 2.92Å; G178-N190 WeakPolarHBondContact CA-OD1 3.44Å; Y179-N190 PolarHBondContact N-OD1 3.24Å; Y179-N190 VanDerWaalsContact N-OD1 3.16Å; S180-N190 PolarHBondContact N-OD1 3.28Å; S180-N190 PolarHBondContact OG-ND2 3.03Å; S180-N190 PolarHBondContact OG-OD1 3.37Å; S180-N190 VanDerWaalsContact OG-OD1 3.12Å
191	E	94.8	Very high	73.2	Confident	5 Å²	5	69.5 Å²	69.5	2%	0.023	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150	-173.1	-54.1	168.5	163.3	0	0	111.3	R41 V139 R140 T176 A177 Y179 R188 W193	R41-E191 IonicContact CZ-OE1 3.77Å; R41-E191 IonicContact CZ-OE2 3.15Å; R41-E191 VanDerWaalsContact NH1-CD 3.32Å; R41-E191 IonicContact NH1-OE1 3.38Å; R41-E191 PolarHBondContact NH1-OE1 2.68Å; R41-E191 VanDerWaalsContact NH1-OE1 3.07Å; R41-E191 IonicContact NH1-OE2 3.76Å; R41-E191 PolarHBondContact NH1-OE2 2.81Å; R41-E191 IonicContact NH2-OE1 2.68Å; R41-E191 PolarHBondContact NH2-OE1 2.75Å; R41-E191 IonicContact NH2-OE2 2.81Å; V139-E191 HydrophobicContact CG1-CB 3.95Å; V139-E191 HydrophobicContact CG1-CG 4.03Å; R140-E191 VanDerWaalsContact O-CA 3.29Å; R140-E191 WeakPolarHBondContact O-CA 3.23Å; T176-E191 CarbonylContact C-O 3.54Å; T176-E191 WeakPolarHBondContact CA-O 3.31Å; A177-E191 HydrophobicContact CB-CB 4.21Å; A177-E191 PolarHBondContact N-O 3.18Å; A177-E191 PolarHBondContact O-N 3.13Å; Y179-E191 VanDerWaalsContact CE2-CD 3.45Å; Y179-E191 HydrophobicContact CE2-CG 3.85Å; Y179-E191 WeakPolarHBondContact CE2-OE2 2.93Å; Y179-E191 PolarHBondContact OH-OE2 2.93Å; R188-E191 IonicContact NE-OE1 2.84Å; R188-E191 IonicContact NH2-OE1 2.94Å; R188-E191 PolarHBondContact NH2-OE1 2.71Å; E191-W193 PolarHBondContact OE2-NE1 3.37Å
192	V	96.6	Very high	72.5	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.8	164	-66.8	0	0	0	0	109.6	R140 F142 N151 Q154 L155 L158 Y175	R140-V192 HydrophobicContact CB-CG2 4.01Å; R140-V192 PolarHBondContact N-O 2.82Å; R140-V192 PolarHBondContact O-N 3.44Å; F142-V192 HydrophobicContact CE1-CG1 4.04Å; N151-V192 HydrophobicContact CB-CG1 4.07Å; Q154-V192 HydrophobicContact CB-CG1 4.44Å; Q154-V192 HydrophobicContact CB-CG2 3.79Å; L155-V192 HydrophobicContact CD1-CG1 4.49Å; L155-V192 HydrophobicContact CD2-CB 3.79Å; L155-V192 HydrophobicContact CD2-CG1 4.42Å; L155-V192 HydrophobicContact CD2-CG2 4.12Å; L155-V192 HydrophobicContact CG-CB 3.87Å; L155-V192 HydrophobicContact CG-CG1 3.99Å; L155-V192 HydrophobicContact CG-CG2 4.11Å; L158-V192 HydrophobicContact CD2-CG2 4.48Å; Y175-V192 WeakPolarHBondContact O-CA 3.48Å
193	W	97.4	Very high	72.1	Confident	5 Å²	5	83.1 Å²	83.1	2%	0.019	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.4	-177.4	-37.5	-27.3	0	0	0	112.2	Y43 P88 T90 V137 F138 V139 Y175 A177 E191	Y43-W193 HydrophobicContact CE1-CH2 4.49Å; Y43-W193 HydrophobicContact CE2-CE3 4.43Å; Y43-W193 AromaticContact CE2-CH2 3.94Å; Y43-W193 HydrophobicContact CE2-CH2 3.94Å; Y43-W193 HydrophobicContact CE2-CZ2 4.4Å; Y43-W193 AromaticContact CE2-CZ3 3.96Å; Y43-W193 HydrophobicContact CE2-CZ3 3.96Å; Y43-W193 AromaticContact CZ-CH2 3.73Å; Y43-W193 WeakPolarHBondContact OH-CH2 3.38Å; Y43-W193 WeakPolarHBondContact OH-CZ2 3.4Å; P88-W193 HydrophobicContact CG-CZ2 4.47Å; T90-W193 HydrophobicContact CG2-CH2 4.06Å; T90-W193 HydrophobicContact CG2-CZ3 4.33Å; V137-W193 HydrophobicContact CB-CB 4.08Å; V137-W193 HydrophobicContact CG1-CB 4.46Å; V137-W193 HydrophobicContact CG2-CB 4.32Å; V137-W193 HydrophobicContact CG2-CD2 4.32Å; V137-W193 HydrophobicContact CG2-CE3 4.24Å; V137-W193 HydrophobicContact CG2-CG 4.41Å; F138-W193 CarbonylContact O-C 3.44Å; F138-W193 WeakPolarHBondContact O-CA 3.35Å; V139-W193 HydrophobicContact CG2-CG 4.06Å; Y175-W193 HydrophobicContact CG-CE3 4.1Å; Y175-W193 PolarHBondContact N-O 2.97Å; Y175-W193 PolarHBondContact O-N 3.29Å; A177-W193 HydrophobicContact CB-CH2 4.27Å; A177-W193 HydrophobicContact CB-CZ2 3.46Å; A177-W193 VanDerWaalsContact CB-CZ2 3.46Å; E191-W193 PolarHBondContact OE2-NE1 3.37Å
194	L	97.2	Very high	71	Confident	10 Å²	10	84.3 Å²	84.3	5%	0.052	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.6	168.7	-70.1	173.3	0	0	0	109.3	V137 F138 L155 L158 A159 L162 F169 F174	V137-L194 WeakPolarHBondContact CA-O 3.5Å; F138-L194 PolarHBondContact N-O 2.78Å; F138-L194 PolarHBondContact O-N 2.94Å; L155-L194 HydrophobicContact CD2-CD2 3.9Å; L155-L194 HydrophobicContact CD2-CG 4.12Å; L158-L194 HydrophobicContact CB-CD1 4.39Å; L158-L194 HydrophobicContact CD2-CB 4.29Å; L158-L194 HydrophobicContact CD2-CD1 3.96Å; L158-L194 HydrophobicContact CD2-CG 3.98Å; L158-L194 HydrophobicContact CG-CD1 3.92Å; L158-L194 HydrophobicContact CG-CG 4.49Å; A159-L194 HydrophobicContact CB-CD1 4.01Å; L162-L194 HydrophobicContact CD1-CB 4.21Å; L162-L194 HydrophobicContact CD1-CD1 3.81Å; F169-L194 HydrophobicContact CB-CB 4.29Å; F169-L194 HydrophobicContact CD2-CB 4.14Å; F169-L194 HydrophobicContact CD2-CD1 3.79Å; F169-L194 HydrophobicContact CD2-CD2 4.19Å; F169-L194 HydrophobicContact CD2-CG 4.27Å; F169-L194 HydrophobicContact CE2-CD1 3.76Å; F169-L194 HydrophobicContact CE2-CD2 4.46Å; F169-L194 HydrophobicContact CG-CB 4.37Å; F169-L194 HydrophobicContact CG-CD1 4.37Å; F169-L194 HydrophobicContact CZ-CD1 4.33Å; F174-L194 HydrophobicContact CB-CD2 4.02Å
195	I	96.6	Very high	69.5	Low	29 Å²	29	90.8 Å²	90.8	15%	0.149	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	126.8	-174.9	-50	169.1	0	0	0	108.8	Y92 V137 F169 N170 V173 Y175 K197	Y92-I195 HydrophobicContact CE2-CD1 4.07Å; V137-I195 HydrophobicContact CG1-CG1 4.43Å; F169-I195 CarbonylContact C-O 3.52Å; F169-I195 WeakPolarHBondContact CA-O 3.4Å; F169-I195 WeakPolarHBondContact CB-O 3.38Å; N170-I195 HydrophobicContact CB-CB 4.22Å; N170-I195 PolarHBondContact N-O 2.9Å; V173-I195 HydrophobicContact CG2-CD1 3.84Å; Y175-I195 HydrophobicContact CD2-CD1 4.13Å; Y175-I195 HydrophobicContact CD2-CG1 4.07Å; Y175-I195 HydrophobicContact CE2-CD1 3.66Å; Y175-I195 HydrophobicContact CE2-CG1 4Å; I195-K197 PolarHBondContact O-N 3.38Å
196	Q	94.4	Very high	70	Confident	69 Å²	69	93.9 Å²	93.9	32%	0.322	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-62.7	132.9	172.3	-173.3	177.3	22	0	0	109.5	T136 F138	T136-Q196 VanDerWaalsContact CB-OE1 3.25Å; T136-Q196 HydrophobicContact CG2-CB 4.36Å; T136-Q196 WeakPolarHBondContact O-CB 3.21Å; T136-Q196 PolarHBondContact O-N 3.41Å; F138-Q196 HydrophobicContact CE2-CB 3.76Å; F138-Q196 HydrophobicContact CE2-CG 4Å; F138-Q196 HydrophobicContact CZ-CB 4.07Å; F138-Q196 HydrophobicContact CZ-CG 3.93Å
197	K	91.3	Very high	70.4	Confident	92 Å²	92	96.2 Å²	96.2	40%	0.4	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-95.8	122.9	167.4	-82.2	-178.3	173.4	166	0	107.6	V168 N170 I195	V168-K197 HydrophobicContact CG1-CB 3.98Å; V168-K197 PolarHBondContact O-N 2.98Å; V168-K197 VanDerWaalsContact O-N 3.09Å; N170-K197 HydrophobicContact CB-CD 4.42Å; N170-K197 HydrophobicContact CB-CG 4.23Å; I195-K197 PolarHBondContact O-N 3.38Å
198	N	72.5	Confident	70.6	Confident	132 Å²	132	90.8 Å²	90.8	71%	0.706	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-68.6	131.9	160	-62.7	-14.9	0	0	0	106.3
199	E	52.1	Low	70.5	Confident	158 Å²	158	91.4 Å²	91.4	74%	0.738	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-55.4	139.6	160	-67.9	-166.6	120.4	0	0	107	S201	E199-S201 PolarHBondContact O-N 2.92Å
200	P	40.8	Very low	69.6	Low	115 Å²	115	93.4 Å²	93.4	75%	0.747	47%	0.474	S	S	*	.			trans	-56.5	113.2	169	24.6	-30.1	0	0	0	106.2	E202	P200-E202 PolarHBondContact O-N 2.85Å
201	S	36.5	Very low	68.2	Low	93 Å²	93	99.5 Å²	99.5	65%	0.65	51%	0.506	S	S	*	.			trans	-55.5	113.5	163.8	46.7	0	0	0	0	105.8	E199 E203	E199-S201 PolarHBondContact O-N 2.92Å; S201-E203 PolarHBondContact O-N 3.49Å
202	E	40.3	Very low	66.3	Low	197 Å²	197	106.3 Å²	106.3	92%	0.921	54%	0.54	S	S	*	.			trans	-60.7	77.4	164.1	-72.7	-91.6	131	0	0	107.6	P200	P200-E202 PolarHBondContact O-N 2.85Å
203	E	43.6	Very low	64	Low	153 Å²	153	114.5 Å²	114.5	72%	0.715	58%	0.581	S	S	*	*			trans	-138.2	90.1	167.6	-87.4	-171.5	99.6	0	0	107.2	S201	S201-E203 PolarHBondContact O-N 3.49Å
204	N	35.1	Very low	61.2	Low	159 Å²	159	123.6 Å²	123.6	85%	0.85	63%	0.628	S	S	*	*				-176	97	115.6	-81.6	-38.6	0	0	0	108.4
205	E	34.1	Very low	57.9	Low	276 Å²	276	133.9 Å²	133.9	100%	1.29	68%	0.681	S	S	*	*			trans	-60.5	0	152.3	-92.8	-179	80.5	0	0	111.2

Retrieved 205 of 205 residues in 154.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).