A0A061I4Z3_CRIGR Loading...

Sodium channel regulatory subunit beta-3

AlphaFold DB , UniProt , Accession A0A061I4Z3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Scn3b, Length 215 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46	Very low	57.8	Low	241 Å²	241	126.4 Å²	126.4	100%	1.187	67%	0.672	S	S	*	*				0	84.2	0	-65.5	163.8	177.2	0	0	109.8
2	P	52.3	Low	58.7	Low	110 Å²	110	120.4 Å²	120.4	71%	0.714	65%	0.648	S	S	*	*			trans	-109.2	-1.9	-177.9	34	-22.3	0	0	0	114.8
3	A	52.9	Low	59.4	Low	72 Å²	72	120.3 Å²	120.3	60%	0.595	65%	0.646	S	S	*	*	S	Bend	trans	-78.9	-27.6	-173.4	0	0	0	0	0	114.1
4	F	52.5	Low	59.8	Low	156 Å²	156	119.7 Å²	119.7	68%	0.684	64%	0.639	S	S	*	*	H	α-helix	trans	-72.5	-32.1	-174.8	-158.3	-102.5	0	0	0	113.1	R6 L7 L8	F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.37Å; F4-L7 PolarHBondContact O-N 2.85Å; F4-L8 HydrophobicContact CE1-CD1 4.38Å
5	N	55.1	Low	60.1	Low	138 Å²	138	119.7 Å²	119.7	74%	0.738	64%	0.638	S	S	*	*	H	α-helix	trans	-72.7	-12.9	-179.8	-96	4.9	0	0	0	114.8	P9	N5-P9 WeakPolarHBondContact O-CD 3.48Å
6	R	56.3	Low	60.5	Low	209 Å²	209	117.2 Å²	117.2	79%	0.789	62%	0.624	S	S	*	*	H	α-helix	trans	-94.8	-14.9	177.6	-69.2	-169.4	-178.7	-151.2	1.3	113.9	F4 P9	F4-R6 VanDerWaalsContact C-N 3.29Å; F4-R6 PolarHBondContact O-N 3.37Å; R6-P9 WeakPolarHBondContact O-CD 3.46Å; R6-P9 WeakPolarHBondContact O-CG 3.45Å
7	L	58.3	Low	60.5	Low	109 Å²	109	114.6 Å²	114.6	57%	0.571	62%	0.616	S	S	*	*	H	α-helix	trans	-80.7	-34.2	178.7	-79.7	148.9	0	0	0	112.4	F4 L10 A11	F4-L7 PolarHBondContact O-N 2.85Å; L7-L10 PolarHBondContact O-N 3.38Å; L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 2.7Å
8	L	61.2	Low	60.5	Low	114 Å²	114	119.9 Å²	119.9	60%	0.597	63%	0.626	S	S	*	*	H	α-helix	trans	-56	-50.8	174.8	-105.4	92	0	0	0	114.2	F4 L10 A11 S12	F4-L8 HydrophobicContact CE1-CD1 4.38Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.49Å; L8-A11 PolarHBondContact O-N 3.3Å; L8-S12 PolarHBondContact O-N 3.14Å
9	P	64.1	Low	60.5	Low	72 Å²	72	119.3 Å²	119.3	47%	0.468	63%	0.628	S	S	.	*	H	α-helix	trans	-67.8	-33.8	-179.5	25.2	-34	0	0	0	111.8	N5 R6 S12 L13	N5-P9 WeakPolarHBondContact O-CD 3.48Å; R6-P9 WeakPolarHBondContact O-CD 3.46Å; R6-P9 WeakPolarHBondContact O-CG 3.45Å; P9-S12 PolarHBondContact O-N 2.94Å; P9-S12 PolarHBondContact O-OG 3.3Å; P9-L13 WeakPolarHBondContact O-CB 3.2Å; P9-L13 PolarHBondContact O-N 3.06Å
10	L	67.3	Low	60.5	Low	115 Å²	115	122.8 Å²	122.8	60%	0.602	63%	0.632	S	S	*	*	H	α-helix	trans	-67.8	-43.5	178.3	-147	94.5	0	0	0	111.7	L7 L8 S12 L13 M14	L7-L10 PolarHBondContact O-N 3.38Å; L8-L10 VanDerWaalsContact C-N 3.31Å; L8-L10 PolarHBondContact O-N 3.49Å; L10-S12 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.19Å; L10-M14 VanDerWaalsContact O-CG 3.28Å; L10-M14 WeakPolarHBondContact O-CG 2.98Å; L10-M14 PolarHBondContact O-N 3.29Å
11	A	69.9	Low	60.8	Low	54 Å²	54	121.9 Å²	121.9	45%	0.446	63%	0.632	S	S	.	*	H	α-helix	trans	-63.7	-40.1	174.6	0	0	0	0	0	111.6	L7 L8 M14 L15	L7-A11 WeakPolarHBondContact O-CB 3.47Å; L7-A11 PolarHBondContact O-N 2.7Å; L8-A11 PolarHBondContact O-N 3.3Å; A11-M14 PolarHBondContact O-N 3.35Å; A11-L15 WeakPolarHBondContact O-CB 3.5Å; A11-L15 PolarHBondContact O-N 3.03Å
12	S	68	Low	61.9	Low	55 Å²	55	115.8 Å²	115.8	39%	0.385	61%	0.612	S	S	.	*	H	α-helix	trans	-64.3	-39.1	174.3	82.9	0	0	0	0	112.4	L8 P9 L10 L15 I16	L8-S12 PolarHBondContact O-N 3.14Å; P9-S12 PolarHBondContact O-N 2.94Å; P9-S12 PolarHBondContact O-OG 3.3Å; L10-S12 VanDerWaalsContact C-N 3.34Å; S12-L15 PolarHBondContact O-N 3.46Å; S12-I16 WeakPolarHBondContact O-CB 3.45Å; S12-I16 WeakPolarHBondContact O-CD1 3.35Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 2.98Å
13	L	67.8	Low	63	Low	119 Å²	119	118.2 Å²	118.2	62%	0.623	61%	0.612	S	S	*	*	H	α-helix	trans	-67.9	-38.5	178.4	-156.3	82	0	0	0	111.1	P9 L10 I16 C17	P9-L13 WeakPolarHBondContact O-CB 3.2Å; P9-L13 PolarHBondContact O-N 3.06Å; L10-L13 PolarHBondContact O-N 3.19Å; L13-I16 PolarHBondContact O-N 3.36Å; L13-C17 WeakPolarHBondContact O-CB 3.38Å; L13-C17 PolarHBondContact O-N 3.46Å
14	M	64.9	Low	64.1	Low	112 Å²	112	120.4 Å²	120.4	55%	0.552	62%	0.619	S	S	*	*	H	α-helix	trans	-66.6	-42.5	174.4	-67.9	-65.6	-89.2	0	0	111.5	L10 A11 C17 W18	L10-M14 VanDerWaalsContact O-CG 3.28Å; L10-M14 WeakPolarHBondContact O-CG 2.98Å; L10-M14 PolarHBondContact O-N 3.29Å; A11-M14 PolarHBondContact O-N 3.35Å; M14-C17 PolarHBondContact O-N 3.1Å; M14-W18 PolarHBondContact O-N 3.46Å
15	L	65.5	Low	65.7	Low	119 Å²	119	118.5 Å²	118.5	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-59.7	-44.9	172.1	-89.8	151.2	0	0	0	112	A11 S12 C17 W18 V19	A11-L15 WeakPolarHBondContact O-CB 3.5Å; A11-L15 PolarHBondContact O-N 3.03Å; S12-L15 PolarHBondContact O-N 3.46Å; L15-C17 VanDerWaalsContact C-N 3.29Å; L15-C17 PolarHBondContact O-N 3.32Å; L15-W18 PolarHBondContact O-N 3.44Å; L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.22Å
16	I	65.9	Low	67.4	Low	80 Å²	80	114.2 Å²	114.2	41%	0.41	60%	0.601	S	S	.	*	H	α-helix	trans	-64.1	-35.6	175.4	-65.6	159.9	0	0	0	110.9	S12 L13 R20	S12-I16 WeakPolarHBondContact O-CB 3.45Å; S12-I16 WeakPolarHBondContact O-CD1 3.35Å; S12-I16 WeakPolarHBondContact O-CG1 3.48Å; S12-I16 PolarHBondContact O-N 2.98Å; L13-I16 PolarHBondContact O-N 3.36Å; I16-R20 WeakPolarHBondContact O-CG 3.21Å; I16-R20 PolarHBondContact O-N 3.36Å
17	C	61.1	Low	69.1	Low	73 Å²	73	108.7 Å²	108.7	49%	0.493	59%	0.59	S	S	.	*	H	α-helix	trans	-71.3	-32.1	177.4	-143.8	0	0	0	0	112.5	L13 M14 L15 R20	L13-C17 WeakPolarHBondContact O-CB 3.38Å; L13-C17 PolarHBondContact O-N 3.46Å; M14-C17 PolarHBondContact O-N 3.1Å; L15-C17 VanDerWaalsContact C-N 3.29Å; L15-C17 PolarHBondContact O-N 3.32Å; C17-R20 PolarHBondContact O-N 3.35Å
18	W	59.5	Low	70.8	Confident	210 Å²	210	107.6 Å²	107.6	80%	0.795	58%	0.582	S	S	*	*	H	α-helix	trans	-74.1	-35.4	174.9	-76.9	40.7	0	0	0	112	M14 L15 R20	M14-W18 PolarHBondContact O-N 3.46Å; L15-W18 PolarHBondContact O-N 3.44Å; W18-R20 PolarHBondContact O-N 3.17Å
19	V	61	Low	72.4	Confident	109 Å²	109	105 Å²	105	66%	0.661	57%	0.57	S	S	*	*	H	α-helix	trans	-70.9	-18	174.9	175.3	0	0	0	0	112.2	L15 V21	L15-V19 VanDerWaalsContact O-CG2 3.24Å; L15-V19 WeakPolarHBondContact O-CG2 3.48Å; L15-V19 PolarHBondContact O-N 3.22Å; V19-V21 VanDerWaalsContact C-N 3.35Å; V19-V21 PolarHBondContact O-N 3.02Å
20	R	60.9	Low	73.9	Confident	189 Å²	189	106.5 Å²	106.5	71%	0.713	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-2.5	-176.6	-85.7	176	-176.5	-173.6	2.2	115.9	I16 C17 W18	I16-R20 WeakPolarHBondContact O-CG 3.21Å; I16-R20 PolarHBondContact O-N 3.36Å; C17-R20 PolarHBondContact O-N 3.35Å; W18-R20 PolarHBondContact O-N 3.17Å
21	V	65.8	Low	75.2	Confident	103 Å²	103	101.8 Å²	101.8	62%	0.624	56%	0.557	S	S	*	*			trans	-112	48.8	-179.6	-161	0	0	0	0	110.9	V19 F23	V19-V21 VanDerWaalsContact C-N 3.35Å; V19-V21 PolarHBondContact O-N 3.02Å; V21-F23 HydrophobicContact CG1-CD2 4.35Å; V21-F23 HydrophobicContact CG1-CE2 3.82Å
22	C	69.9	Low	76.3	Confident	113 Å²	113	105 Å²	105	76%	0.764	56%	0.563	S	S	*	*			trans	-109.4	103.9	163.4	-67.5	0	0	0	0	107.7
23	F	74.8	Confident	77.5	Confident	162 Å²	162	105.6 Å²	105.6	71%	0.711	56%	0.564	S	S	*	*			trans	-86.1	136.5	169.9	-65.1	-80.1	0	0	0	108.7	V21 V25	V21-F23 HydrophobicContact CG1-CD2 4.35Å; V21-F23 HydrophobicContact CG1-CE2 3.82Å; F23-V25 PolarHBondContact O-N 2.9Å
24	P	76.8	Confident	78.8	Confident	117 Å²	117	104.7 Å²	104.7	76%	0.76	56%	0.557	S	S	*	*			trans	-60.9	134.5	169.6	27.2	-32.5	0	0	0	108.9
25	V	85.9	Confident	80.1	Confident	117 Å²	117	99.6 Å²	99.6	71%	0.709	53%	0.533	S	S	*	.			trans	-125.4	134.1	177.9	177.4	0	0	0	0	108.2	F23 V27	F23-V25 PolarHBondContact O-N 2.9Å; V25-V27 HydrophobicContact CG1-CG2 4.46Å
26	C	90.3	Very high	81.5	Confident	48 Å²	48	95.7 Å²	95.7	32%	0.324	51%	0.514	S	S	.	.			trans	-75	129.5	170.3	-177.4	0	0	0	0	109.9	C48 Q101	C26-C48 HydrophobicContact CB-CB 3.69Å; C26-C48 WeakPolarHBondContact CB-SG 3.23Å; C26-C48 PolarHBondContact O-SG 3.44Å; C26-C48 VanDerWaalsContact O-SG 3.41Å; C26-C48 WeakPolarHBondContact SG-CA 3.4Å; C26-C48 WeakPolarHBondContact SG-CB 3.41Å; C26-C48 CovalentContact SG-SG 2.04Å; C26-C48 PolarHBondContact SG-SG 3.28Å; C26-Q101 PolarHBondContact SG-OE1 3.24Å
27	V	92.9	Very high	82.9	Confident	93 Å²	93	96 Å²	96	56%	0.564	51%	0.513	S	S	*	.			trans	-123.6	130.2	177.2	-178.3	0	0	0	0	109.4	V25 V29 C48	V25-V27 HydrophobicContact CG1-CG2 4.46Å; V27-V29 HydrophobicContact CG1-CG2 4.16Å; V27-V29 PolarHBondContact O-N 3.08Å; V27-C48 PolarHBondContact N-SG 3.34Å
28	E	93.7	Very high	84.5	Confident	86 Å²	86	94.5 Å²	94.5	40%	0.402	51%	0.51	S	S	.	.			trans	-80	112.3	175.8	-59.7	-170.8	159.5	0	0	109.8	C48 R139	E28-C48 HydrophobicContact CG-CB 4.1Å; E28-C48 PolarHBondContact OE1-N 2.9Å; E28-C48 VanDerWaalsContact OE1-N 3.11Å; E28-R139 IonicContact OE1-NH2 3.23Å; E28-R139 IonicContact OE2-CZ 2.8Å; E28-R139 IonicContact OE2-NH2 3.46Å; E28-R139 PolarHBondContact OE2-NH2 3.47Å
29	V	94.9	Very high	86.1	Confident	58 Å²	58	88.7 Å²	88.7	35%	0.352	50%	0.495	S	S	.	.			trans	-114.6	132.2	179.4	-174.1	0	0	0	0	109	V27	V27-V29 HydrophobicContact CG1-CG2 4.16Å; V27-V29 PolarHBondContact O-N 3.08Å
30	P	94.4	Very high	87.7	Confident	105 Å²	105	87.6 Å²	87.6	68%	0.682	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-63.8	154.5	177.3	27	-34.7	0	0	0	111.9	R44	P30-R44 PolarHBondContact O-NE 3.49Å; P30-R44 PolarHBondContact O-NH2 3.41Å
31	S	95.6	Very high	89.4	Confident	16 Å²	16	79.1 Å²	79.1	11%	0.112	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-72.6	153.6	171.6	-167.6	0	0	0	0	111.4	R44	S31-R44 WeakPolarHBondContact CB-O 3.33Å; S31-R44 PolarHBondContact OG-N 3.04Å
32	E	93.1	Very high	90.8	Very high	121 Å²	121	77.8 Å²	77.8	57%	0.565	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-62.9	145.9	162.6	-72.5	162.7	-154.7	0	0	109.7	M41	E32-M41 HydrophobicContact CB-CE 3.54Å; E32-M41 VanDerWaalsContact O-CE 3.26Å; E32-M41 WeakPolarHBondContact O-CE 3.22Å
33	T	93.6	Very high	92.1	Very high	67 Å²	67	72.4 Å²	72.4	41%	0.411	41%	0.408	S	S	.	.			trans	-109.2	-10.5	-173.7	53.1	0	0	0	0	113.1	P142 L143 R144	T33-P142 WeakPolarHBondContact CA-O 3.33Å; T33-P142 VanDerWaalsContact CB-O 3.28Å; T33-P142 WeakPolarHBondContact CB-O 3.34Å; T33-P142 HydrophobicContact CG2-CG 4.15Å; T33-P142 WeakPolarHBondContact CG2-O 3.33Å; T33-L143 CarbonylContact O-C 3.52Å; T33-L143 WeakPolarHBondContact O-CA 3.35Å; T33-R144 PolarHBondContact O-N 3.32Å
34	E	93.5	Very high	93.2	Very high	101 Å²	101	68.2 Å²	68.2	47%	0.472	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.8	-179.6	-61.3	-168.6	166.6	0	0	109.4	R144	E34-R144 WeakPolarHBondContact CA-O 3.26Å
35	A	93.9	Very high	94.1	Very high	5 Å²	5	62.7 Å²	62.7	4%	0.041	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145	176.3	0	0	0	0	0	110.6	M41 V110 L143 R144 V145 T146	A35-M41 HydrophobicContact CB-CB 3.91Å; A35-M41 HydrophobicContact CB-CG 3.78Å; A35-M41 HydrophobicContact CB-SD 3.94Å; A35-V110 HydrophobicContact CB-CG1 4.31Å; A35-L143 HydrophobicContact CB-CD1 3.87Å; A35-R144 PolarHBondContact N-O 3.37Å; A35-V145 CarbonylContact O-C 3.57Å; A35-V145 VanDerWaalsContact O-CA 3.28Å; A35-V145 WeakPolarHBondContact O-CA 3.28Å; A35-T146 PolarHBondContact O-N 2.78Å
36	V	94.6	Very high	94.6	Very high	37 Å²	37	58.3 Å²	58.3	22%	0.224	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.8	177.5	-176.3	0	0	0	0	109.7	G38 N39 T146 E147 A149	V36-G38 PolarHBondContact O-N 2.92Å; V36-N39 HydrophobicContact CB-CB 4.4Å; V36-N39 PolarHBondContact O-N 3.04Å; V36-T146 CarbonylContact C-O 3.57Å; V36-T146 WeakPolarHBondContact CA-O 3.43Å; V36-E147 WeakPolarHBondContact CG1-O 3.28Å; V36-A149 HydrophobicContact CG2-CB 3.76Å
37	Q	95.3	Very high	94.8	Very high	86 Å²	86	56.2 Å²	56.2	40%	0.402	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	136.2	176.6	-171.8	-176.3	28.8	0	0	111.5	N39 V145 T146	Q37-N39 PolarHBondContact O-N 3.16Å; Q37-V145 HydrophobicContact CB-CG1 4.31Å; Q37-T146 PolarHBondContact N-O 3.47Å
38	G	93.3	Very high	94.8	Very high	41 Å²	41	53 Å²	53	42%	0.423	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-20.7	179	0	0	0	0	0	114.6	V36 V110	V36-G38 PolarHBondContact O-N 2.92Å; G38-V110 PolarHBondContact N-O 3.48Å
39	N	94.1	Very high	94.6	Very high	88 Å²	88	50.4 Å²	50.4	47%	0.471	28%	0.279	S	S	.	.	S	Bend	trans	-84.1	153.6	177.4	-72.2	-29.3	0	0	0	111.6	V36 Q37 V110	V36-N39 HydrophobicContact CB-CB 4.4Å; V36-N39 PolarHBondContact O-N 3.04Å; Q37-N39 PolarHBondContact O-N 3.16Å; N39-V110 WeakPolarHBondContact O-CB 3.35Å; N39-V110 VanDerWaalsContact O-CG2 3.23Å; N39-V110 WeakPolarHBondContact O-CG2 3.39Å; N39-V110 PolarHBondContact O-N 3.24Å
40	P	95.5	Very high	94.1	Very high	87 Å²	87	58.2 Å²	58.2	57%	0.565	31%	0.309	S	S	*	.			trans	-71.9	137.2	171	30.1	-33.6	0	0	0	110.4	T106 V107 L108	P40-T106 HydrophobicContact CB-CG2 4.17Å; P40-V107 CarbonylContact C-O 3.54Å; P40-V107 VanDerWaalsContact CA-O 3.32Å; P40-V107 WeakPolarHBondContact CA-O 3.42Å; P40-L108 HydrophobicContact CB-CD2 4.06Å
41	M	95.1	Very high	93.6	Very high	10 Å²	10	59.9 Å²	59.9	5%	0.049	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.3	178	175.8	57.8	174.6	0	0	110.9	E32 A35 L43 T106 V107 V110 L143	E32-M41 HydrophobicContact CB-CE 3.54Å; E32-M41 VanDerWaalsContact O-CE 3.26Å; E32-M41 WeakPolarHBondContact O-CE 3.22Å; A35-M41 HydrophobicContact CB-CB 3.91Å; A35-M41 HydrophobicContact CB-CG 3.78Å; A35-M41 HydrophobicContact CB-SD 3.94Å; M41-L43 HydrophobicContact CG-CD2 4.34Å; M41-T106 CarbonylContact O-C 3.58Å; M41-T106 VanDerWaalsContact O-CA 3.31Å; M41-T106 WeakPolarHBondContact O-CA 3.38Å; M41-V107 PolarHBondContact N-O 3.31Å; M41-V107 PolarHBondContact O-N 3.01Å; M41-V110 HydrophobicContact CB-CG2 3.64Å; M41-L143 HydrophobicContact CE-CD1 3.8Å; M41-L143 HydrophobicContact CG-CD1 4.05Å
42	K	95.9	Very high	93	Very high	76 Å²	76	64.8 Å²	64.8	33%	0.33	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.8	173.5	-174.4	-179.6	-180	167.4	0	110	R44 N95 D102	K42-R44 PolarHBondContact O-N 3.43Å; K42-N95 WeakPolarHBondContact CD-ND2 3.21Å; K42-N95 VanDerWaalsContact CE-ND2 3.3Å; K42-N95 WeakPolarHBondContact CE-ND2 3.49Å; K42-N95 PolarHBondContact NZ-ND2 3.42Å; K42-D102 IonicContact NZ-OD2 3.81Å
43	L	96.8	Very high	92.5	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	100.8	169.7	-61.3	175.7	0	0	0	109	M41 C45 W62 S104 I105 V107 Y118 I141 L143	M41-L43 HydrophobicContact CG-CD2 4.34Å; L43-C45 PolarHBondContact O-N 2.86Å; L43-W62 HydrophobicContact CB-CH2 3.75Å; L43-W62 HydrophobicContact CB-CZ3 3.99Å; L43-W62 HydrophobicContact CD1-CZ3 4.24Å; L43-S104 WeakPolarHBondContact O-CA 3.37Å; L43-S104 WeakPolarHBondContact O-CB 3.39Å; L43-I105 HydrophobicContact CB-CG1 4.05Å; L43-I105 HydrophobicContact CD1-CD1 4.21Å; L43-I105 HydrophobicContact CD1-CG1 4.17Å; L43-I105 PolarHBondContact N-O 3.46Å; L43-I105 PolarHBondContact O-N 3.43Å; L43-V107 HydrophobicContact CD1-CG2 3.73Å; L43-V107 HydrophobicContact CG-CG2 4.22Å; L43-Y118 HydrophobicContact CD1-CD1 3.36Å; L43-Y118 HydrophobicContact CD1-CD2 4.2Å; L43-Y118 HydrophobicContact CD1-CE1 3.68Å; L43-Y118 HydrophobicContact CD1-CE2 4.48Å; L43-Y118 HydrophobicContact CD1-CG 3.64Å; L43-Y118 HydrophobicContact CD2-CD2 4.42Å; L43-Y118 HydrophobicContact CD2-CG 4.48Å; L43-I141 HydrophobicContact CD2-CG2 4.06Å; L43-L143 HydrophobicContact CD2-CD1 4.31Å; L43-L143 HydrophobicContact CD2-CD2 4.33Å
44	R	97.1	Very high	92.1	Very high	74 Å²	74	63.6 Å²	63.6	28%	0.279	31%	0.313	S	S	.	.			trans	-80.1	121.7	-175.1	179.1	168.2	49.5	-155	-14.9	111.3	P30 S31 K42 I46 S104 I141	P30-R44 PolarHBondContact O-NE 3.49Å; P30-R44 PolarHBondContact O-NH2 3.41Å; S31-R44 WeakPolarHBondContact CB-O 3.33Å; S31-R44 PolarHBondContact OG-N 3.04Å; K42-R44 PolarHBondContact O-N 3.43Å; R44-I46 HydrophobicContact CG-CD1 4.01Å; R44-I46 HydrophobicContact CG-CG1 4Å; R44-S104 VanDerWaalsContact CA-OG 3.28Å; R44-S104 WeakPolarHBondContact CA-OG 3.37Å; R44-I141 WeakPolarHBondContact O-CD1 3.35Å
45	C	97	Very high	91.8	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.007	33%	0.326	C	S	.	.			trans	-132.1	104.4	172.1	-175.3	0	0	0	0	109.4	L43 W62 V103 S104 C120	L43-C45 PolarHBondContact O-N 2.86Å; C45-W62 HydrophobicContact CB-CH2 3.73Å; C45-W62 HydrophobicContact CB-CZ2 3.42Å; C45-W62 VanDerWaalsContact CB-CZ2 3.42Å; C45-V103 HydrophobicContact CB-CG2 3.94Å; C45-V103 VanDerWaalsContact O-CG2 3.27Å; C45-V103 WeakPolarHBondContact O-CG2 3.3Å; C45-V103 PolarHBondContact O-N 3.43Å; C45-S104 PolarHBondContact N-OG 3.43Å; C45-C120 HydrophobicContact CB-CB 3.71Å; C45-C120 WeakPolarHBondContact CB-SG 3.14Å; C45-C120 WeakPolarHBondContact SG-CB 3.3Å; C45-C120 CovalentContact SG-SG 2.04Å; C45-C120 PolarHBondContact SG-SG 3.33Å
46	I	95.7	Very high	91.6	Very high	25 Å²	25	67.1 Å²	67.1	13%	0.128	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-111.3	128.8	176.3	-57.5	171.3	0	0	0	107.8	R44 Q101 D102	R44-I46 HydrophobicContact CG-CD1 4.01Å; R44-I46 HydrophobicContact CG-CG1 4Å; I46-Q101 WeakPolarHBondContact CA-O 3.48Å; I46-D102 HydrophobicContact CG1-CB 4.4Å
47	S	94.9	Very high	91.5	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.021	34%	0.34	C	S	.	.			trans	-128.5	103.5	171.9	177.4	0	0	0	0	107.9	Q101 R124	S47-Q101 PolarHBondContact N-O 3.1Å; S47-R124 VanDerWaalsContact O-CZ 3.29Å; S47-R124 PolarHBondContact O-NH1 3.47Å; S47-R124 PolarHBondContact O-NH2 3.32Å; S47-R124 PolarHBondContact OG-NH1 3.29Å
48	C	92.8	Very high	91.4	Very high	27 Å²	27	64.5 Å²	64.5	18%	0.182	32%	0.323	C	S	.	.			trans	-77.4	139.9	-175.9	-62.6	0	0	0	0	110.7	C26 V27 E28	C26-C48 HydrophobicContact CB-CB 3.69Å; C26-C48 WeakPolarHBondContact CB-SG 3.23Å; C26-C48 PolarHBondContact O-SG 3.44Å; C26-C48 VanDerWaalsContact O-SG 3.41Å; C26-C48 WeakPolarHBondContact SG-CA 3.4Å; C26-C48 WeakPolarHBondContact SG-CB 3.41Å; C26-C48 CovalentContact SG-SG 2.04Å; C26-C48 PolarHBondContact SG-SG 3.28Å; V27-C48 PolarHBondContact N-SG 3.34Å; E28-C48 HydrophobicContact CG-CB 4.1Å; E28-C48 PolarHBondContact OE1-N 2.9Å; E28-C48 VanDerWaalsContact OE1-N 3.11Å
49	M	89.6	Confident	91.4	Very high	30 Å²	30	63.5 Å²	63.5	15%	0.148	31%	0.309	C	S	.	.			trans	-76.7	141.9	170.7	-63.7	-172.8	-171.8	0	0	109	R51 A56 Q101 F126	M49-R51 PolarHBondContact O-N 3.28Å; M49-A56 HydrophobicContact CE-CB 4.34Å; M49-Q101 HydrophobicContact CG-CG 4.3Å; M49-F126 HydrophobicContact SD-CE1 4.46Å
50	K	84.6	Confident	91.5	Very high	223 Å²	223	59.3 Å²	59.3	97%	0.97	29%	0.286	S	S	*	.	S	Bend	trans	-66	-27.6	175.2	-71	-173.2	177.5	-179.4	0	112.3
51	R	84	Confident	91.5	Very high	140 Å²	140	57.1 Å²	57.1	53%	0.528	27%	0.269	S	S	.	.			trans	-143.5	114.2	-175.3	-172.5	179.8	-87.4	174.2	1.6	107.3	M49 E53 V54	M49-R51 PolarHBondContact O-N 3.28Å; R51-E53 VanDerWaalsContact CD-CD 3.46Å; R51-E53 WeakPolarHBondContact CD-OE1 3.32Å; R51-E53 HydrophobicContact CG-CG 3.71Å; R51-E53 WeakPolarHBondContact CG-OE1 3.35Å; R51-E53 WeakPolarHBondContact CG-OE2 3.38Å; R51-E53 IonicContact NE-OE1 2.91Å; R51-E53 PolarHBondContact NE-OE1 2.91Å; R51-V54 HydrophobicContact CB-CG2 4.17Å; R51-V54 HydrophobicContact CG-CG2 3.78Å
52	E	82	Confident	91.6	Very high	119 Å²	119	56.7 Å²	56.7	56%	0.556	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-25.7	-172	-174.7	167.3	-144.7	0	0	112.1	V54 Q101	E52-V54 PolarHBondContact O-N 3.14Å; E52-Q101 PolarHBondContact OE1-NE2 3.23Å
53	E	82.4	Confident	91.6	Very high	145 Å²	145	55.2 Å²	55.2	68%	0.678	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.8	179	65.5	-91.2	-160	0	0	114.8	R51	R51-E53 VanDerWaalsContact CD-CD 3.46Å; R51-E53 WeakPolarHBondContact CD-OE1 3.32Å; R51-E53 HydrophobicContact CG-CG 3.71Å; R51-E53 WeakPolarHBondContact CG-OE1 3.35Å; R51-E53 WeakPolarHBondContact CG-OE2 3.38Å; R51-E53 IonicContact NE-OE1 2.91Å; R51-E53 PolarHBondContact NE-OE1 2.91Å
54	V	86.3	Confident	91.5	Very high	18 Å²	18	55.7 Å²	55.7	11%	0.109	26%	0.262	C	S	.	.	S	Bend	trans	-98.6	122.9	-178.9	-179.6	0	0	0	0	110	R51 E52 F126 F128	R51-V54 HydrophobicContact CB-CG2 4.17Å; R51-V54 HydrophobicContact CG-CG2 3.78Å; E52-V54 PolarHBondContact O-N 3.14Å; V54-F126 HydrophobicContact CB-CD1 4.5Å; V54-F126 HydrophobicContact CG1-CB 4.31Å; V54-F126 HydrophobicContact CG1-CD1 3.9Å; V54-F128 HydrophobicContact CB-CE1 4.36Å; V54-F128 HydrophobicContact CB-CZ 4.49Å; V54-F128 HydrophobicContact CG1-CD1 4.26Å; V54-F128 HydrophobicContact CG1-CE1 3.64Å; V54-F128 HydrophobicContact CG1-CE2 4.3Å; V54-F128 HydrophobicContact CG1-CZ 3.67Å; V54-F128 HydrophobicContact CG2-CE1 3.72Å; V54-F128 HydrophobicContact CG2-CZ 4.16Å
55	E	86.4	Confident	91.4	Very high	155 Å²	155	56.5 Å²	56.5	72%	0.724	27%	0.265	S	S	*	.			trans	-69	136	174.1	-62.6	-170	171.6	0	0	111.1	E127	E55-E127 PolarHBondContact O-N 3.34Å
56	A	90	Very high	91.3	Very high	24 Å²	24	58.6 Å²	58.6	20%	0.198	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.5	-179.9	0	0	0	0	0	111.1	M49 T58 E125 F126	M49-A56 HydrophobicContact CE-CB 4.34Å; A56-T58 PolarHBondContact O-N 3.43Å; A56-E125 CarbonylContact C-O 3.54Å; A56-E125 VanDerWaalsContact CA-O 3.3Å; A56-E125 WeakPolarHBondContact CA-O 3.42Å; A56-F126 HydrophobicContact CB-CD1 3.59Å; A56-F126 HydrophobicContact CB-CE1 3.86Å; A56-F126 HydrophobicContact CB-CG 4.15Å
57	T	91.7	Very high	91	Very high	60 Å²	60	65.7 Å²	65.7	37%	0.368	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	113.9	169.2	-65.6	0	0	0	0	108.3	R124 E125	T57-R124 WeakPolarHBondContact O-CA 3.16Å; T57-E125 PolarHBondContact N-O 3.23Å; T57-E125 PolarHBondContact O-N 2.95Å
58	T	93.3	Very high	90.4	Very high	8 Å²	8	69.9 Å²	69.9	5%	0.049	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.9	-176.8	-58.7	0	0	0	0	110.9	A56 V60 L100 V122 S123 R124	A56-T58 PolarHBondContact O-N 3.43Å; T58-V60 HydrophobicContact CG2-CG2 4.1Å; T58-L100 HydrophobicContact CG2-CB 4.07Å; T58-L100 HydrophobicContact CG2-CD1 4.4Å; T58-V122 HydrophobicContact CG2-CG1 3.93Å; T58-S123 WeakPolarHBondContact CA-O 3.39Å; T58-R124 HydrophobicContact CG2-CG 3.98Å
59	V	95.1	Very high	90.3	Very high	20 Å²	20	70.2 Å²	70.2	12%	0.121	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.5	171.7	179.1	0	0	0	0	108.4	E61 Y77 R78 S123	V59-E61 HydrophobicContact CG1-CG 4.33Å; V59-Y77 WeakPolarHBondContact CA-O 3.5Å; V59-R78 HydrophobicContact CG2-CG 4.43Å; V59-S123 PolarHBondContact N-O 3.3Å; V59-S123 PolarHBondContact O-N 2.93Å
60	V	95.9	Very high	90.4	Very high	0 Å²	0	77.6 Å²	77.6	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.4	178.6	-171.4	0	0	0	0	109.2	T58 E76 Y77 W94 V103 N121	T58-V60 HydrophobicContact CG2-CG2 4.1Å; V60-E76 CarbonylContact O-C 3.55Å; V60-E76 WeakPolarHBondContact O-CA 3.35Å; V60-Y77 PolarHBondContact N-O 3.36Å; V60-Y77 PolarHBondContact O-N 3.44Å; V60-W94 HydrophobicContact CG2-CH2 4.44Å; V60-V103 HydrophobicContact CG1-CB 3.99Å; V60-V103 HydrophobicContact CG1-CG2 3.99Å; V60-V103 HydrophobicContact CG2-CB 3.89Å; V60-V103 HydrophobicContact CG2-CG1 3.59Å; V60-V103 HydrophobicContact CG2-CG2 4.33Å; V60-N121 WeakPolarHBondContact CA-O 3.31Å
61	E	95.8	Very high	90.8	Very high	42 Å²	42	70.3 Å²	70.3	20%	0.196	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.3	176.5	-58.4	172.2	130.1	0	0	108.8	V59 F63 L73 E76 N121	V59-E61 HydrophobicContact CG1-CG 4.33Å; E61-F63 HydrophobicContact CB-CD2 4.32Å; E61-F63 HydrophobicContact CB-CE2 3.58Å; E61-F63 HydrophobicContact CB-CZ 4.26Å; E61-L73 HydrophobicContact CB-CD1 3.87Å; E61-L73 HydrophobicContact CG-CD1 4.43Å; E61-E76 HydrophobicContact CG-CG 4.45Å; E61-N121 HydrophobicContact CB-CB 4.2Å; E61-N121 PolarHBondContact N-O 2.79Å; E61-N121 PolarHBondContact O-N 2.91Å
62	W	96.4	Very high	91.3	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.9	173.7	-80	90.8	0	0	0	110	L43 C45 L73 I74 Y75 V103 I105 T119 C120 I141	L43-W62 HydrophobicContact CB-CH2 3.75Å; L43-W62 HydrophobicContact CB-CZ3 3.99Å; L43-W62 HydrophobicContact CD1-CZ3 4.24Å; C45-W62 HydrophobicContact CB-CH2 3.73Å; C45-W62 HydrophobicContact CB-CZ2 3.42Å; C45-W62 VanDerWaalsContact CB-CZ2 3.42Å; W62-L73 WeakPolarHBondContact O-CD1 3.17Å; W62-I74 HydrophobicContact CB-CD1 4.19Å; W62-I74 HydrophobicContact CB-CG1 3.79Å; W62-I74 VanDerWaalsContact O-CG1 3.23Å; W62-I74 WeakPolarHBondContact O-CG1 3.24Å; W62-I74 PolarHBondContact O-N 3.24Å; W62-Y75 PolarHBondContact N-O 2.77Å; W62-Y75 PolarHBondContact O-N 2.84Å; W62-V103 PolarHBondContact NE1-O 3.33Å; W62-I105 HydrophobicContact CB-CD1 4.18Å; W62-I105 HydrophobicContact CD2-CD1 3.49Å; W62-I105 VanDerWaalsContact CD2-CD1 3.49Å; W62-I105 HydrophobicContact CD2-CG1 3.96Å; W62-I105 HydrophobicContact CE3-CD1 3.76Å; W62-I105 HydrophobicContact CE3-CG1 4.25Å; W62-I105 HydrophobicContact CG-CD1 3.7Å; W62-I105 HydrophobicContact CG-CG1 4.47Å; W62-I105 HydrophobicContact CH2-CG1 4.15Å; W62-I105 HydrophobicContact CZ2-CD1 4.35Å; W62-I105 HydrophobicContact CZ2-CG1 3.87Å; W62-I105 HydrophobicContact CZ3-CD1 4.28Å; W62-I105 HydrophobicContact CZ3-CG1 4.34Å; W62-T119 WeakPolarHBondContact CA-O 3.34Å; W62-C120 HydrophobicContact CD2-CB 4.06Å; W62-C120 HydrophobicContact CE3-CB 4.02Å; W62-C120 HydrophobicContact CH2-CB 3.81Å; W62-C120 HydrophobicContact CZ2-CB 3.82Å; W62-C120 HydrophobicContact CZ3-CB 3.91Å; W62-I141 HydrophobicContact CH2-CD1 3.65Å; W62-I141 HydrophobicContact CZ3-CD1 3.8Å
63	F	95.6	Very high	91.9	Very high	45 Å²	45	63.7 Å²	63.7	20%	0.197	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	147.4	174.8	-63.4	-95.7	0	0	0	110.4	E61 D71 F72 L73 Y118 T119 N121	E61-F63 HydrophobicContact CB-CD2 4.32Å; E61-F63 HydrophobicContact CB-CE2 3.58Å; E61-F63 HydrophobicContact CB-CZ 4.26Å; F63-D71 HydrophobicContact CB-CB 4.42Å; F63-D71 HydrophobicContact CD1-CB 4.43Å; F63-F72 CarbonylContact C-O 3.55Å; F63-F72 VanDerWaalsContact CA-O 3.25Å; F63-F72 WeakPolarHBondContact CA-O 3.35Å; F63-L73 HydrophobicContact CD1-CB 4.24Å; F63-L73 HydrophobicContact CD1-CD1 4.42Å; F63-L73 HydrophobicContact CD2-CD1 4.47Å; F63-L73 HydrophobicContact CE1-CB 3.98Å; F63-L73 HydrophobicContact CE1-CD1 4.02Å; F63-L73 HydrophobicContact CE2-CD1 4.07Å; F63-L73 HydrophobicContact CZ-CD1 3.82Å; F63-Y118 CarbonylContact O-C 3.59Å; F63-Y118 WeakPolarHBondContact O-CA 3.27Å; F63-T119 PolarHBondContact N-O 3.08Å; F63-T119 PolarHBondContact O-N 3.34Å; F63-N121 WeakPolarHBondContact CE2-ND2 3.34Å
64	Y	95.7	Very high	92.4	Very high	11 Å²	11	56.8 Å²	56.8	4%	0.043	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.7	170.5	172.9	-109.8	0	0	0	109.8	P66 D71 F72 F88 N113 S115 Y118	Y64-P66 HydrophobicContact CE1-CB 3.95Å; Y64-P66 HydrophobicContact CE1-CG 4.28Å; Y64-D71 WeakPolarHBondContact O-CA 3.41Å; Y64-F72 AromaticContact CD1-CE1 3.65Å; Y64-F72 HydrophobicContact CD1-CE1 3.65Å; Y64-F72 HydrophobicContact CD1-CE2 4.23Å; Y64-F72 AromaticContact CD1-CZ 3.43Å; Y64-F72 HydrophobicContact CD1-CZ 3.43Å; Y64-F72 VanDerWaalsContact CD1-CZ 3.43Å; Y64-F72 HydrophobicContact CE1-CE1 4.29Å; Y64-F72 HydrophobicContact CE1-CZ 4.13Å; Y64-F72 HydrophobicContact CG-CZ 4.44Å; Y64-F72 PolarHBondContact N-O 2.81Å; Y64-F72 WeakPolarHBondContact O-CD1 3.25Å; Y64-F72 PolarHBondContact O-N 3.4Å; Y64-F88 AromaticContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CZ 4.05Å; Y64-F88 HydrophobicContact CD2-CZ 4.3Å; Y64-F88 AromaticContact CE1-CE2 3.92Å; Y64-F88 HydrophobicContact CE1-CE2 3.92Å; Y64-F88 HydrophobicContact CE1-CZ 4.04Å; Y64-F88 HydrophobicContact CE2-CZ 4.31Å; Y64-F88 AromaticContact CG-CE2 3.95Å; Y64-F88 HydrophobicContact CG-CE2 3.95Å; Y64-F88 HydrophobicContact CG-CZ 4.15Å; Y64-N113 PolarHBondContact OH-O 3.15Å; Y64-S115 PolarHBondContact OH-O 2.93Å; Y64-Y118 AromaticContact CD2-CD1 3.94Å; Y64-Y118 HydrophobicContact CD2-CD1 3.94Å; Y64-Y118 HydrophobicContact CD2-CD2 4.11Å; Y64-Y118 AromaticContact CD2-CE1 3.54Å; Y64-Y118 HydrophobicContact CD2-CE1 3.54Å; Y64-Y118 AromaticContact CD2-CE2 3.69Å; Y64-Y118 HydrophobicContact CD2-CE2 3.69Å; Y64-Y118 HydrophobicContact CD2-CG 4.22Å; Y64-Y118 AromaticContact CD2-CZ 3.4Å; Y64-Y118 HydrophobicContact CE2-CD2 4.46Å; Y64-Y118 HydrophobicContact CE2-CE1 4.24Å; Y64-Y118 AromaticContact CE2-CE2 3.74Å; Y64-Y118 HydrophobicContact CE2-CE2 3.74Å; Y64-Y118 AromaticContact CE2-CZ 3.62Å; Y64-Y118 HydrophobicContact CG-CE1 4.22Å
65	R	95.3	Very high	92.8	Very high	91 Å²	91	56.3 Å²	56.3	34%	0.343	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.2	172	179.5	-162.3	-64	157.2	9.1	108.1	D71 L117	R65-D71 WeakPolarHBondContact CB-OD1 3.46Å; R65-D71 IonicContact CZ-OD1 3.16Å; R65-D71 IonicContact CZ-OD2 3.72Å; R65-D71 IonicContact NE-OD1 2.6Å; R65-D71 PolarHBondContact NE-OD1 3.47Å; R65-D71 IonicContact NE-OD2 3.83Å; R65-D71 VanDerWaalsContact NH2-CG 3.27Å; R65-D71 IonicContact NH2-OD1 2.88Å; R65-D71 PolarHBondContact NH2-OD1 3.48Å; R65-D71 IonicContact NH2-OD2 2.82Å; R65-D71 PolarHBondContact NH2-OD2 3.36Å; R65-L117 HydrophobicContact CB-CB 4.31Å; R65-L117 PolarHBondContact N-O 2.9Å; R65-L117 PolarHBondContact O-N 3.36Å
66	P	93.3	Very high	93.1	Very high	45 Å²	45	50.3 Å²	50.3	29%	0.292	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	159.4	170.2	28.7	-30.5	0	0	0	110.2	Y64 G68 G69	Y64-P66 HydrophobicContact CE1-CB 3.95Å; Y64-P66 HydrophobicContact CE1-CG 4.28Å; P66-G68 PolarHBondContact O-N 3.42Å; P66-G68 VanDerWaalsContact O-N 3.09Å; P66-G69 PolarHBondContact O-N 2.94Å
67	E	89.2	Confident	93.3	Very high	173 Å²	173	51.2 Å²	51.2	81%	0.808	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	118.4	178.1	-67.6	-170.7	169.9	0	0	111.3	G69	E67-G69 VanDerWaalsContact C-N 3.28Å; E67-G69 PolarHBondContact O-N 2.82Å
68	G	84.3	Confident	93.2	Very high	91 Å²	91	53.5 Å²	53.5	94%	0.938	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	3.5	-177.6	0	0	0	0	0	116	P66	P66-G68 PolarHBondContact O-N 3.42Å; P66-G68 VanDerWaalsContact O-N 3.09Å
69	G	89.3	Confident	92.8	Very high	35 Å²	35	60.2 Å²	60.2	36%	0.361	31%	0.314	S	S	.	.	S	Bend	trans	-96.7	-168.6	177.9	0	0	0	0	0	115	P66 E67	P66-G69 PolarHBondContact O-N 2.94Å; E67-G69 VanDerWaalsContact C-N 3.28Å; E67-G69 PolarHBondContact O-N 2.82Å
70	K	91.4	Very high	92.3	Very high	184 Å²	184	60.3 Å²	60.3	80%	0.8	32%	0.319	S	S	*	.			trans	-105.7	153.2	175	-66.3	-176.7	-179.9	179.3	0	111
71	D	93.4	Very high	91.5	Very high	71 Å²	71	65.7 Å²	65.7	38%	0.38	34%	0.343	S	S	.	.			trans	-70	133	177.4	-54.6	23.9	0	0	0	109.5	F63 Y64 R65	F63-D71 HydrophobicContact CB-CB 4.42Å; F63-D71 HydrophobicContact CD1-CB 4.43Å; Y64-D71 WeakPolarHBondContact O-CA 3.41Å; R65-D71 WeakPolarHBondContact CB-OD1 3.46Å; R65-D71 IonicContact CZ-OD1 3.16Å; R65-D71 IonicContact CZ-OD2 3.72Å; R65-D71 IonicContact NE-OD1 2.6Å; R65-D71 PolarHBondContact NE-OD1 3.47Å; R65-D71 IonicContact NE-OD2 3.83Å; R65-D71 VanDerWaalsContact NH2-CG 3.27Å; R65-D71 IonicContact NH2-OD1 2.88Å; R65-D71 PolarHBondContact NH2-OD1 3.48Å; R65-D71 IonicContact NH2-OD2 2.82Å; R65-D71 PolarHBondContact NH2-OD2 3.36Å
72	F	93.8	Very high	90.7	Very high	71 Å²	71	68.1 Å²	68.1	31%	0.311	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.1	168.2	61.4	-91.6	0	0	0	110.6	F63 Y64 I74 P87	F63-F72 CarbonylContact C-O 3.55Å; F63-F72 VanDerWaalsContact CA-O 3.25Å; F63-F72 WeakPolarHBondContact CA-O 3.35Å; Y64-F72 AromaticContact CD1-CE1 3.65Å; Y64-F72 HydrophobicContact CD1-CE1 3.65Å; Y64-F72 HydrophobicContact CD1-CE2 4.23Å; Y64-F72 AromaticContact CD1-CZ 3.43Å; Y64-F72 HydrophobicContact CD1-CZ 3.43Å; Y64-F72 VanDerWaalsContact CD1-CZ 3.43Å; Y64-F72 HydrophobicContact CE1-CE1 4.29Å; Y64-F72 HydrophobicContact CE1-CZ 4.13Å; Y64-F72 HydrophobicContact CG-CZ 4.44Å; Y64-F72 PolarHBondContact N-O 2.81Å; Y64-F72 WeakPolarHBondContact O-CD1 3.25Å; Y64-F72 PolarHBondContact O-N 3.4Å; F72-I74 HydrophobicContact CD2-CG2 3.86Å; F72-I74 HydrophobicContact CE2-CG2 3.59Å; F72-P87 HydrophobicContact CE2-CG 4.49Å; F72-P87 HydrophobicContact CZ-CG 4.38Å
73	L	94.5	Very high	89.7	Confident	48 Å²	48	72.4 Å²	72.4	25%	0.251	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128	-178.6	-174.3	72.9	0	0	0	109.3	E61 W62 F63 E76 V84	E61-L73 HydrophobicContact CB-CD1 3.87Å; E61-L73 HydrophobicContact CG-CD1 4.43Å; W62-L73 WeakPolarHBondContact O-CD1 3.17Å; F63-L73 HydrophobicContact CD1-CB 4.24Å; F63-L73 HydrophobicContact CD1-CD1 4.42Å; F63-L73 HydrophobicContact CD2-CD1 4.47Å; F63-L73 HydrophobicContact CE1-CB 3.98Å; F63-L73 HydrophobicContact CE1-CD1 4.02Å; F63-L73 HydrophobicContact CE2-CD1 4.07Å; F63-L73 HydrophobicContact CZ-CD1 3.82Å; L73-E76 HydrophobicContact CD2-CB 4.46Å; L73-V84 HydrophobicContact CD2-CG1 4.46Å; L73-V84 HydrophobicContact CD2-CG2 3.76Å; L73-V84 HydrophobicContact CG-CG2 4.03Å
74	I	94.4	Very high	89.2	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-25.4	177.9	57.5	164.2	0	0	0	112.5	W62 F72 F88 L92 I105 Y118	W62-I74 HydrophobicContact CB-CD1 4.19Å; W62-I74 HydrophobicContact CB-CG1 3.79Å; W62-I74 VanDerWaalsContact O-CG1 3.23Å; W62-I74 WeakPolarHBondContact O-CG1 3.24Å; W62-I74 PolarHBondContact O-N 3.24Å; F72-I74 HydrophobicContact CD2-CG2 3.86Å; F72-I74 HydrophobicContact CE2-CG2 3.59Å; I74-F88 HydrophobicContact CG2-CD2 3.78Å; I74-F88 HydrophobicContact CG2-CE2 4.24Å; I74-L92 HydrophobicContact CB-CD1 4.2Å; I74-L92 HydrophobicContact CD1-CD1 4.35Å; I74-L92 HydrophobicContact CG1-CD1 4.49Å; I74-L92 WeakPolarHBondContact O-CD1 3.23Å; I74-I105 HydrophobicContact CD1-CD1 4.18Å; I74-Y118 HydrophobicContact CD1-CD1 3.93Å; I74-Y118 HydrophobicContact CD1-CE1 4.01Å
75	Y	93.6	Very high	88.6	Confident	9 Å²	9	80 Å²	80	4%	0.035	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	137.7	-177.5	-171.6	-85.4	0	0	0	111.1	W62 H81 L92 W94 I105	W62-Y75 PolarHBondContact N-O 2.77Å; W62-Y75 PolarHBondContact O-N 2.84Å; Y75-H81 WeakPolarHBondContact OH-CB 3.28Å; Y75-H81 PolarHBondContact OH-ND1 3.46Å; Y75-L92 HydrophobicContact CD2-CB 4.46Å; Y75-L92 HydrophobicContact CD2-CD1 4.43Å; Y75-W94 HydrophobicContact CD1-CE3 4.47Å; Y75-W94 AromaticContact CE1-CE3 3.52Å; Y75-W94 HydrophobicContact CE1-CE3 3.52Å; Y75-W94 AromaticContact CE1-CZ3 3.8Å; Y75-W94 HydrophobicContact CE1-CZ3 3.8Å; Y75-W94 AromaticContact CZ-CE3 3.85Å; Y75-I105 HydrophobicContact CD1-CG2 4.37Å
76	E	94.3	Very high	88.2	Confident	29 Å²	29	76.5 Å²	76.5	14%	0.136	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.7	173.7	-170.9	-176.8	-161.1	0	0	110.4	V60 E61 L73 R78 Q82 V84	V60-E76 CarbonylContact O-C 3.55Å; V60-E76 WeakPolarHBondContact O-CA 3.35Å; E61-E76 HydrophobicContact CG-CG 4.45Å; L73-E76 HydrophobicContact CD2-CB 4.46Å; E76-R78 HydrophobicContact CG-CB 4.33Å; E76-R78 IonicContact OE1-CZ 2.64Å; E76-R78 IonicContact OE1-NE 3.77Å; E76-R78 PolarHBondContact OE1-NE 3.01Å; E76-R78 IonicContact OE1-NH2 3.7Å; E76-R78 PolarHBondContact OE1-NH2 3.4Å; E76-Q82 PolarHBondContact N-O 3.28Å; E76-Q82 PolarHBondContact O-N 2.98Å; E76-V84 HydrophobicContact CB-CG2 4.5Å
77	Y	92.6	Very high	87.9	Confident	42 Å²	42	78.9 Å²	78.9	17%	0.165	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	108.5	165.8	-172.1	-87.9	0	0	0	109.1	V59 V60 G80 H81 W94 L100	V59-Y77 WeakPolarHBondContact CA-O 3.5Å; V60-Y77 PolarHBondContact N-O 3.36Å; V60-Y77 PolarHBondContact O-N 3.44Å; Y77-G80 WeakPolarHBondContact CA-O 3.33Å; Y77-G80 WeakPolarHBondContact CD2-O 3.5Å; Y77-H81 AromaticContact CD2-ND1 3.9Å; Y77-H81 AromaticContact CE2-CE1 3.73Å; Y77-H81 AromaticContact CE2-ND1 3.97Å; Y77-H81 AromaticContact CE2-NE2 3.98Å; Y77-W94 HydrophobicContact CD2-CH2 4.32Å; Y77-W94 HydrophobicContact CD2-CZ2 4.41Å; Y77-W94 HydrophobicContact CD2-CZ3 4.47Å; Y77-W94 HydrophobicContact CG-CH2 4.26Å; Y77-L100 HydrophobicContact CD1-CD1 4.41Å; Y77-L100 HydrophobicContact CD1-CD2 4.06Å; Y77-L100 HydrophobicContact CE1-CD1 3.68Å; Y77-L100 HydrophobicContact CE1-CD2 3.48Å; Y77-L100 VanDerWaalsContact CE1-CD2 3.48Å; Y77-L100 HydrophobicContact CE1-CG 4.25Å
78	R	90.8	Very high	87.9	Confident	109 Å²	109	70.8 Å²	70.8	41%	0.411	38%	0.381	S	S	.	.	S	Bend	trans	-141.3	106	175.4	-176.5	-174.5	-61.6	-93.2	-0.7	108.6	V59 E76 G80 Q82	V59-R78 HydrophobicContact CG2-CG 4.43Å; E76-R78 HydrophobicContact CG-CB 4.33Å; E76-R78 IonicContact OE1-CZ 2.64Å; E76-R78 IonicContact OE1-NE 3.77Å; E76-R78 PolarHBondContact OE1-NE 3.01Å; E76-R78 IonicContact OE1-NH2 3.7Å; E76-R78 PolarHBondContact OE1-NH2 3.4Å; R78-G80 PolarHBondContact N-O 2.95Å; R78-G80 VanDerWaalsContact N-O 3.16Å; R78-G80 PolarHBondContact O-N 3.46Å; R78-Q82 PolarHBondContact O-NE2 3.39Å; R78-Q82 VanDerWaalsContact O-NE2 3.15Å
79	N	83.9	Confident	88	Confident	149 Å²	149	71.9 Å²	71.9	80%	0.797	36%	0.361	S	S	*	.	S	Bend	trans	53.3	23.7	-175.9	-60.4	-20.5	0	0	0	114.1
80	G	84.3	Confident	88	Confident	22 Å²	22	73 Å²	73	23%	0.227	37%	0.374	C	S	.	.	S	Bend	trans	149.4	170.1	-173.3	0	0	0	0	0	112	Y77 R78	Y77-G80 WeakPolarHBondContact CA-O 3.33Å; Y77-G80 WeakPolarHBondContact CD2-O 3.5Å; R78-G80 PolarHBondContact N-O 2.95Å; R78-G80 VanDerWaalsContact N-O 3.16Å; R78-G80 PolarHBondContact O-N 3.46Å
81	H	79.3	Confident	88.1	Confident	112 Å²	112	66.8 Å²	66.8	52%	0.519	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	120.2	178.2	-53.2	-85.6	0	0	0	109.7	Y75 Y77 W94	Y75-H81 WeakPolarHBondContact OH-CB 3.28Å; Y75-H81 PolarHBondContact OH-ND1 3.46Å; Y77-H81 AromaticContact CD2-ND1 3.9Å; Y77-H81 AromaticContact CE2-CE1 3.73Å; Y77-H81 AromaticContact CE2-ND1 3.97Å; Y77-H81 AromaticContact CE2-NE2 3.98Å; H81-W94 AromaticContact CE1-CD1 3.37Å; H81-W94 AromaticContact CE1-CD2 3.86Å; H81-W94 AromaticContact CE1-CG 3.36Å; H81-W94 AromaticContact CE1-NE1 3.79Å; H81-W94 AromaticContact ND1-CD2 3.95Å; H81-W94 AromaticContact ND1-CG 3.57Å
82	Q	80.4	Confident	88.1	Confident	94 Å²	94	64.3 Å²	64.3	44%	0.439	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	107.4	174.9	-60.9	-174.6	37.9	0	0	108.6	E76 R78	E76-Q82 PolarHBondContact N-O 3.28Å; E76-Q82 PolarHBondContact O-N 2.98Å; R78-Q82 PolarHBondContact O-NE2 3.39Å; R78-Q82 VanDerWaalsContact O-NE2 3.15Å
83	E	74.9	Confident	88.1	Confident	89 Å²	89	66.2 Å²	66.2	42%	0.416	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.5	173.1	-165.2	169.5	-150.8	0	0	109.1	Q89 G90	E83-Q89 HydrophobicContact CG-CG 4.42Å; E83-Q89 WeakPolarHBondContact OE1-CA 3.34Å; E83-G90 PolarHBondContact OE1-N 3.48Å
84	V	85	Confident	88	Confident	39 Å²	39	66.2 Å²	66.2	24%	0.236	34%	0.338	C	S	.	.			trans	-93.6	140	-179	-178.9	0	0	0	0	108.4	L73 E76 S86	L73-V84 HydrophobicContact CD2-CG1 4.46Å; L73-V84 HydrophobicContact CD2-CG2 3.76Å; L73-V84 HydrophobicContact CG-CG2 4.03Å; E76-V84 HydrophobicContact CB-CG2 4.5Å; V84-S86 PolarHBondContact O-N 2.97Å; V84-S86 PolarHBondContact O-OG 2.99Å
85	E	83.7	Confident	88	Confident	178 Å²	178	69.8 Å²	69.8	83%	0.832	36%	0.357	S	S	*	.	S	Bend	trans	-60.4	102.6	175.6	-166.1	172.5	-170.1	0	0	109.3
86	S	86.3	Confident	87.9	Confident	16 Å²	16	70.3 Å²	70.3	11%	0.112	37%	0.366	C	S	.	.	S	Bend	trans	-152.2	165.1	-172.1	73.1	0	0	0	0	110.3	V84 F88 Q89	V84-S86 PolarHBondContact O-N 2.97Å; V84-S86 PolarHBondContact O-OG 2.99Å; S86-F88 PolarHBondContact O-N 3.49Å; S86-F88 PolarHBondContact OG-N 3.45Å; S86-Q89 VanDerWaalsContact O-CB 3.28Å; S86-Q89 WeakPolarHBondContact O-CB 3.33Å; S86-Q89 PolarHBondContact O-N 3Å
87	P	86.6	Confident	87.7	Confident	95 Å²	95	70.8 Å²	70.8	62%	0.617	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-7.9	174.8	-23.4	34.8	0	0	0	114.8	F72 R91	F72-P87 HydrophobicContact CE2-CG 4.49Å; F72-P87 HydrophobicContact CZ-CG 4.38Å; P87-R91 PolarHBondContact O-NH2 3.41Å
88	F	88.5	Confident	87.5	Confident	3 Å²	3	78.2 Å²	78.2	1%	0.013	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	0.5	179.1	-67.6	-91	0	0	0	112.9	Y64 I74 S86 G90 R91 L92 V107 D114 Y118	Y64-F88 AromaticContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CE2 3.64Å; Y64-F88 HydrophobicContact CD1-CZ 4.05Å; Y64-F88 HydrophobicContact CD2-CZ 4.3Å; Y64-F88 AromaticContact CE1-CE2 3.92Å; Y64-F88 HydrophobicContact CE1-CE2 3.92Å; Y64-F88 HydrophobicContact CE1-CZ 4.04Å; Y64-F88 HydrophobicContact CE2-CZ 4.31Å; Y64-F88 AromaticContact CG-CE2 3.95Å; Y64-F88 HydrophobicContact CG-CE2 3.95Å; Y64-F88 HydrophobicContact CG-CZ 4.15Å; I74-F88 HydrophobicContact CG2-CD2 3.78Å; I74-F88 HydrophobicContact CG2-CE2 4.24Å; S86-F88 PolarHBondContact O-N 3.49Å; S86-F88 PolarHBondContact OG-N 3.45Å; F88-G90 PolarHBondContact O-N 2.97Å; F88-R91 WeakPolarHBondContact O-CB 3.42Å; F88-R91 PolarHBondContact O-N 3.42Å; F88-L92 HydrophobicContact CB-CD1 3.65Å; F88-L92 HydrophobicContact CB-CD2 4.15Å; F88-L92 HydrophobicContact CB-CG 3.76Å; F88-L92 HydrophobicContact CD1-CD2 4.28Å; F88-L92 PolarHBondContact O-N 2.96Å; F88-V107 HydrophobicContact CD1-CG1 4.17Å; F88-V107 HydrophobicContact CE1-CG1 4.28Å; F88-D114 HydrophobicContact CE1-CB 4.12Å; F88-D114 WeakPolarHBondContact CE1-OD1 3.44Å; F88-D114 HydrophobicContact CZ-CB 4.38Å; F88-D114 WeakPolarHBondContact CZ-OD1 3.3Å; F88-Y118 HydrophobicContact CE1-CE1 4.37Å; F88-Y118 WeakPolarHBondContact CE1-OH 3.43Å; F88-Y118 HydrophobicContact CZ-CE1 4.36Å; F88-Y118 WeakPolarHBondContact CZ-OH 3.36Å
89	Q	87.4	Confident	87.4	Confident	114 Å²	114	77.7 Å²	77.7	53%	0.533	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	130.5	-178.9	-171.6	175.1	8.2	0	0	111.7	E83 S86 R91	E83-Q89 HydrophobicContact CG-CG 4.42Å; E83-Q89 WeakPolarHBondContact OE1-CA 3.34Å; S86-Q89 VanDerWaalsContact O-CB 3.28Å; S86-Q89 WeakPolarHBondContact O-CB 3.33Å; S86-Q89 PolarHBondContact O-N 3Å; Q89-R91 PolarHBondContact O-N 2.95Å
90	G	88.7	Confident	87.8	Confident	60 Å²	60	71.8 Å²	71.8	62%	0.619	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-1.7	-176.4	0	0	0	0	0	114.7	E83 F88	E83-G90 PolarHBondContact OE1-N 3.48Å; F88-G90 PolarHBondContact O-N 2.97Å
91	R	93.5	Very high	88.1	Confident	53 Å²	53	71.5 Å²	71.5	20%	0.2	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-7.1	176.7	-58.6	-167.3	-63.5	133.2	-2.7	113.1	P87 F88 Q89 L108 N109 D114	P87-R91 PolarHBondContact O-NH2 3.41Å; F88-R91 WeakPolarHBondContact O-CB 3.42Å; F88-R91 PolarHBondContact O-N 3.42Å; Q89-R91 PolarHBondContact O-N 2.95Å; R91-L108 WeakPolarHBondContact O-CB 3.23Å; R91-L108 WeakPolarHBondContact O-CG 3.45Å; R91-L108 PolarHBondContact O-N 2.94Å; R91-N109 PolarHBondContact NH1-O 3.06Å; R91-D114 IonicContact CZ-OD1 3.65Å; R91-D114 IonicContact CZ-OD2 3.72Å; R91-D114 IonicContact NH1-OD1 3.36Å; R91-D114 PolarHBondContact NH1-OD1 3.48Å; R91-D114 IonicContact NH1-OD2 2.9Å; R91-D114 PolarHBondContact NH1-OD2 2.74Å; R91-D114 IonicContact NH2-OD1 2.89Å; R91-D114 PolarHBondContact NH2-OD1 2.93Å; R91-D114 IonicContact NH2-OD2 3.71Å
92	L	93.6	Very high	88.9	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127	179.5	-63.5	176.3	0	0	0	110.9	I74 Y75 F88 I105 V107	I74-L92 HydrophobicContact CB-CD1 4.2Å; I74-L92 HydrophobicContact CD1-CD1 4.35Å; I74-L92 HydrophobicContact CG1-CD1 4.49Å; I74-L92 WeakPolarHBondContact O-CD1 3.23Å; Y75-L92 HydrophobicContact CD2-CB 4.46Å; Y75-L92 HydrophobicContact CD2-CD1 4.43Å; F88-L92 HydrophobicContact CB-CD1 3.65Å; F88-L92 HydrophobicContact CB-CD2 4.15Å; F88-L92 HydrophobicContact CB-CG 3.76Å; F88-L92 HydrophobicContact CD1-CD2 4.28Å; F88-L92 PolarHBondContact O-N 2.96Å; L92-I105 HydrophobicContact CD2-CD1 4.3Å; L92-V107 HydrophobicContact CD2-CB 4.42Å; L92-V107 HydrophobicContact CD2-CG1 4.46Å; L92-V107 HydrophobicContact CD2-CG2 3.81Å
93	Q	93.4	Very high	89.6	Confident	111 Å²	111	63.4 Å²	63.4	52%	0.519	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.9	174.6	-172.2	176.9	27.4	0	0	110.4	N95 I105 T106	Q93-N95 PolarHBondContact O-N 3.41Å; Q93-I105 CarbonylContact O-C 3.27Å; Q93-I105 WeakPolarHBondContact O-CA 3.38Å; Q93-T106 PolarHBondContact N-O 2.99Å; Q93-T106 PolarHBondContact O-N 3.25Å
94	W	93.3	Very high	90.6	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.178	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.8	172.8	-179.2	-96.2	0	0	0	111.2	V60 Y75 Y77 H81 G96 L100 V103 I105	V60-W94 HydrophobicContact CG2-CH2 4.44Å; Y75-W94 HydrophobicContact CD1-CE3 4.47Å; Y75-W94 AromaticContact CE1-CE3 3.52Å; Y75-W94 HydrophobicContact CE1-CE3 3.52Å; Y75-W94 AromaticContact CE1-CZ3 3.8Å; Y75-W94 HydrophobicContact CE1-CZ3 3.8Å; Y75-W94 AromaticContact CZ-CE3 3.85Å; Y77-W94 HydrophobicContact CD2-CH2 4.32Å; Y77-W94 HydrophobicContact CD2-CZ2 4.41Å; Y77-W94 HydrophobicContact CD2-CZ3 4.47Å; Y77-W94 HydrophobicContact CG-CH2 4.26Å; H81-W94 AromaticContact CE1-CD1 3.37Å; H81-W94 AromaticContact CE1-CD2 3.86Å; H81-W94 AromaticContact CE1-CG 3.36Å; H81-W94 AromaticContact CE1-NE1 3.79Å; H81-W94 AromaticContact ND1-CD2 3.95Å; H81-W94 AromaticContact ND1-CG 3.57Å; W94-G96 PolarHBondContact NE1-O 3.28Å; W94-L100 HydrophobicContact CZ2-CD2 4.15Å; W94-V103 HydrophobicContact CH2-CB 3.68Å; W94-V103 HydrophobicContact CH2-CG1 3.95Å; W94-V103 HydrophobicContact CZ2-CB 4.38Å; W94-V103 HydrophobicContact CZ2-CG1 4.39Å; W94-V103 HydrophobicContact CZ3-CB 4.4Å; W94-I105 HydrophobicContact CE3-CG2 4.02Å; W94-I105 HydrophobicContact CZ3-CG2 4.38Å
95	N	93.4	Very high	91.1	Very high	75 Å²	75	57.3 Å²	57.3	40%	0.401	30%	0.304	S	S	.	.			trans	-134.6	35.7	177.4	-163.2	19.2	0	0	0	111.8	K42 Q93 S104	K42-N95 WeakPolarHBondContact CD-ND2 3.21Å; K42-N95 VanDerWaalsContact CE-ND2 3.3Å; K42-N95 WeakPolarHBondContact CE-ND2 3.49Å; K42-N95 PolarHBondContact NZ-ND2 3.42Å; Q93-N95 PolarHBondContact O-N 3.41Å; N95-S104 CarbonylContact C-O 3.57Å; N95-S104 VanDerWaalsContact C-O 3.27Å; N95-S104 WeakPolarHBondContact CA-O 3.41Å; N95-S104 PolarHBondContact N-O 2.88Å
96	G	91.3	Very high	91.7	Very high	21 Å²	21	49.5 Å²	49.5	22%	0.216	27%	0.269	C	S	.	.			trans	-95	165	177.8	0	0	0	0	0	113.6	W94 D102 S104	W94-G96 PolarHBondContact NE1-O 3.28Å; G96-D102 CarbonylContact C-O 3.6Å; G96-D102 WeakPolarHBondContact CA-O 3.32Å; G96-S104 PolarHBondContact N-O 2.9Å
97	S	91.4	Very high	92.1	Very high	39 Å²	39	48.7 Å²	48.7	27%	0.273	26%	0.263	S	S	.	.			trans	-80.6	159.5	178.7	70.3	0	0	0	0	112.3	D99 L100 Q101 D102	S97-D99 PolarHBondContact O-N 2.95Å; S97-L100 PolarHBondContact O-N 3.39Å; S97-Q101 PolarHBondContact OG-N 2.97Å; S97-D102 PolarHBondContact N-O 2.98Å; S97-D102 PolarHBondContact OG-N 2.9Å
98	K	88	Confident	92.6	Very high	198 Å²	198	47 Å²	47	86%	0.861	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-32.9	176.4	-171.5	-178.9	177.4	-172	0	112.3	L100	K98-L100 PolarHBondContact O-N 3.37Å
99	D	88.4	Confident	92.8	Very high	98 Å²	98	52.1 Å²	52.1	52%	0.524	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	2.2	-178.6	-44.4	-49.4	0	0	0	112.6	S97 Q101	S97-D99 PolarHBondContact O-N 2.95Å; D99-Q101 HydrophobicContact CB-CG 4.36Å; D99-Q101 PolarHBondContact O-N 3.45Å
100	L	91.4	Very high	93.2	Very high	25 Å²	25	46.8 Å²	46.8	13%	0.131	25%	0.252	C	S	.	.	S	Bend	trans	55.5	26.1	178	-54.3	173.8	0	0	0	113.4	T58 Y77 W94 S97 K98 V103 R124	T58-L100 HydrophobicContact CG2-CB 4.07Å; T58-L100 HydrophobicContact CG2-CD1 4.4Å; Y77-L100 HydrophobicContact CD1-CD1 4.41Å; Y77-L100 HydrophobicContact CD1-CD2 4.06Å; Y77-L100 HydrophobicContact CE1-CD1 3.68Å; Y77-L100 HydrophobicContact CE1-CD2 3.48Å; Y77-L100 VanDerWaalsContact CE1-CD2 3.48Å; Y77-L100 HydrophobicContact CE1-CG 4.25Å; W94-L100 HydrophobicContact CZ2-CD2 4.15Å; S97-L100 PolarHBondContact O-N 3.39Å; K98-L100 PolarHBondContact O-N 3.37Å; L100-V103 HydrophobicContact CB-CG1 4.46Å; L100-V103 WeakPolarHBondContact O-CG1 3.35Å; L100-R124 PolarHBondContact O-NH2 3.44Å
101	Q	92.1	Very high	93.4	Very high	16 Å²	16	46.5 Å²	46.5	8%	0.075	24%	0.238	C	C	.	.	S	Bend	trans	-85.5	-42	170.6	-65.5	-168.3	76.8	0	0	110.8	C26 I46 S47 M49 E52 S97 D99	C26-Q101 PolarHBondContact SG-OE1 3.24Å; I46-Q101 WeakPolarHBondContact CA-O 3.48Å; S47-Q101 PolarHBondContact N-O 3.1Å; M49-Q101 HydrophobicContact CG-CG 4.3Å; E52-Q101 PolarHBondContact OE1-NE2 3.23Å; S97-Q101 PolarHBondContact OG-N 2.97Å; D99-Q101 HydrophobicContact CB-CG 4.36Å; D99-Q101 PolarHBondContact O-N 3.45Å
102	D	94.7	Very high	93.4	Very high	35 Å²	35	47.5 Å²	47.5	19%	0.187	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-94.9	119.3	165.4	-173.7	-9.5	0	0	0	108.1	K42 I46 G96 S97 S104	K42-D102 IonicContact NZ-OD2 3.81Å; I46-D102 HydrophobicContact CG1-CB 4.4Å; G96-D102 CarbonylContact C-O 3.6Å; G96-D102 WeakPolarHBondContact CA-O 3.32Å; S97-D102 PolarHBondContact N-O 2.98Å; S97-D102 PolarHBondContact OG-N 2.9Å; D102-S104 WeakPolarHBondContact OD1-CB 3.27Å; D102-S104 PolarHBondContact OD1-N 3.39Å; D102-S104 PolarHBondContact OD1-OG 3Å
103	V	95.6	Very high	93.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.278	C	S	.	.			trans	-124.5	31.5	-178	-61.5	0	0	0	0	111.2	C45 V60 W62 W94 L100 V122	C45-V103 HydrophobicContact CB-CG2 3.94Å; C45-V103 VanDerWaalsContact O-CG2 3.27Å; C45-V103 WeakPolarHBondContact O-CG2 3.3Å; C45-V103 PolarHBondContact O-N 3.43Å; V60-V103 HydrophobicContact CG1-CB 3.99Å; V60-V103 HydrophobicContact CG1-CG2 3.99Å; V60-V103 HydrophobicContact CG2-CB 3.89Å; V60-V103 HydrophobicContact CG2-CG1 3.59Å; V60-V103 HydrophobicContact CG2-CG2 4.33Å; W62-V103 PolarHBondContact NE1-O 3.33Å; W94-V103 HydrophobicContact CH2-CB 3.68Å; W94-V103 HydrophobicContact CH2-CG1 3.95Å; W94-V103 HydrophobicContact CZ2-CB 4.38Å; W94-V103 HydrophobicContact CZ2-CG1 4.39Å; W94-V103 HydrophobicContact CZ3-CB 4.4Å; L100-V103 HydrophobicContact CB-CG1 4.46Å; L100-V103 WeakPolarHBondContact O-CG1 3.35Å; V103-V122 HydrophobicContact CG2-CG2 3.74Å
104	S	96.6	Very high	93.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.255	C	S	.	.			trans	-66.4	145.2	-179.6	-57.4	0	0	0	0	112.7	L43 R44 C45 N95 G96 D102	L43-S104 WeakPolarHBondContact O-CA 3.37Å; L43-S104 WeakPolarHBondContact O-CB 3.39Å; R44-S104 VanDerWaalsContact CA-OG 3.28Å; R44-S104 WeakPolarHBondContact CA-OG 3.37Å; C45-S104 PolarHBondContact N-OG 3.43Å; N95-S104 CarbonylContact C-O 3.57Å; N95-S104 VanDerWaalsContact C-O 3.27Å; N95-S104 WeakPolarHBondContact CA-O 3.41Å; N95-S104 PolarHBondContact N-O 2.88Å; G96-S104 PolarHBondContact N-O 2.9Å; D102-S104 WeakPolarHBondContact OD1-CB 3.27Å; D102-S104 PolarHBondContact OD1-N 3.39Å; D102-S104 PolarHBondContact OD1-OG 3Å
105	I	95.5	Very high	93.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	153	172.3	61.5	175.4	0	0	0	109.9	L43 W62 I74 Y75 L92 Q93 W94	L43-I105 HydrophobicContact CB-CG1 4.05Å; L43-I105 HydrophobicContact CD1-CD1 4.21Å; L43-I105 HydrophobicContact CD1-CG1 4.17Å; L43-I105 PolarHBondContact N-O 3.46Å; L43-I105 PolarHBondContact O-N 3.43Å; W62-I105 HydrophobicContact CB-CD1 4.18Å; W62-I105 HydrophobicContact CD2-CD1 3.49Å; W62-I105 VanDerWaalsContact CD2-CD1 3.49Å; W62-I105 HydrophobicContact CD2-CG1 3.96Å; W62-I105 HydrophobicContact CE3-CD1 3.76Å; W62-I105 HydrophobicContact CE3-CG1 4.25Å; W62-I105 HydrophobicContact CG-CD1 3.7Å; W62-I105 HydrophobicContact CG-CG1 4.47Å; W62-I105 HydrophobicContact CH2-CG1 4.15Å; W62-I105 HydrophobicContact CZ2-CD1 4.35Å; W62-I105 HydrophobicContact CZ2-CG1 3.87Å; W62-I105 HydrophobicContact CZ3-CD1 4.28Å; W62-I105 HydrophobicContact CZ3-CG1 4.34Å; I74-I105 HydrophobicContact CD1-CD1 4.18Å; Y75-I105 HydrophobicContact CD1-CG2 4.37Å; L92-I105 HydrophobicContact CD2-CD1 4.3Å; Q93-I105 CarbonylContact O-C 3.27Å; Q93-I105 WeakPolarHBondContact O-CA 3.38Å; W94-I105 HydrophobicContact CE3-CG2 4.02Å; W94-I105 HydrophobicContact CZ3-CG2 4.38Å
106	T	95.8	Very high	93.4	Very high	14 Å²	14	44.1 Å²	44.1	9%	0.086	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125	176.1	-50.8	0	0	0	0	108.6	P40 M41 Q93 L108	P40-T106 HydrophobicContact CB-CG2 4.17Å; M41-T106 CarbonylContact O-C 3.58Å; M41-T106 VanDerWaalsContact O-CA 3.31Å; M41-T106 WeakPolarHBondContact O-CA 3.38Å; Q93-T106 PolarHBondContact N-O 2.99Å; Q93-T106 PolarHBondContact O-N 3.25Å; T106-L108 HydrophobicContact CG2-CD2 4.4Å
107	V	95.6	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.9	173.9	-171.7	0	0	0	0	107.7	P40 M41 L43 F88 L92 V110	P40-V107 CarbonylContact C-O 3.54Å; P40-V107 VanDerWaalsContact CA-O 3.32Å; P40-V107 WeakPolarHBondContact CA-O 3.42Å; M41-V107 PolarHBondContact N-O 3.31Å; M41-V107 PolarHBondContact O-N 3.01Å; L43-V107 HydrophobicContact CD1-CG2 3.73Å; L43-V107 HydrophobicContact CG-CG2 4.22Å; F88-V107 HydrophobicContact CD1-CG1 4.17Å; F88-V107 HydrophobicContact CE1-CG1 4.28Å; L92-V107 HydrophobicContact CD2-CB 4.42Å; L92-V107 HydrophobicContact CD2-CG1 4.46Å; L92-V107 HydrophobicContact CD2-CG2 3.81Å; V107-V110 HydrophobicContact CB-CG2 4.16Å; V107-V110 HydrophobicContact CG1-CG2 4.13Å
108	L	95.3	Very high	93.9	Very high	59 Å²	59	42.9 Å²	42.9	31%	0.309	23%	0.225	S	C	.	.	S	Bend	trans	-86.4	144.5	178.8	-58.3	176.4	0	0	0	110.5	P40 R91 T106	P40-L108 HydrophobicContact CB-CD2 4.06Å; R91-L108 WeakPolarHBondContact O-CB 3.23Å; R91-L108 WeakPolarHBondContact O-CG 3.45Å; R91-L108 PolarHBondContact O-N 2.94Å; T106-L108 HydrophobicContact CG2-CD2 4.4Å
109	N	94.2	Very high	94.4	Very high	111 Å²	111	33.9 Å²	33.9	59%	0.594	19%	0.187	S	C	*	.	S	Bend	trans	48.4	65.3	178.2	-60.5	-24.3	0	0	0	111.8	R91	R91-N109 PolarHBondContact NH1-O 3.06Å
110	V	94.8	Very high	94.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	16%	0.162	C	C	.	.			trans	-64.5	136.2	-176.5	178	0	0	0	0	110.6	A35 G38 N39 M41 V107 D114 V145	A35-V110 HydrophobicContact CB-CG1 4.31Å; G38-V110 PolarHBondContact N-O 3.48Å; N39-V110 WeakPolarHBondContact O-CB 3.35Å; N39-V110 VanDerWaalsContact O-CG2 3.23Å; N39-V110 WeakPolarHBondContact O-CG2 3.39Å; N39-V110 PolarHBondContact O-N 3.24Å; M41-V110 HydrophobicContact CB-CG2 3.64Å; V107-V110 HydrophobicContact CB-CG2 4.16Å; V107-V110 HydrophobicContact CG1-CG2 4.13Å; V110-D114 HydrophobicContact CG1-CB 4.27Å; V110-V145 HydrophobicContact CG1-CB 4.22Å; V110-V145 HydrophobicContact CG1-CG1 3.7Å; V110-V145 HydrophobicContact CG1-CG2 3.41Å; V110-V145 VanDerWaalsContact CG1-CG2 3.41Å
111	T	93.6	Very high	95	Very high	54 Å²	54	28.9 Å²	28.9	33%	0.331	16%	0.16	S	C	.	.			trans	-116.2	160.7	178.6	66.2	0	0	0	0	110.7	N113 D114	T111-N113 PolarHBondContact O-N 3.21Å; T111-N113 VanDerWaalsContact O-N 3.12Å; T111-D114 PolarHBondContact N-OD2 3.14Å; T111-D114 WeakPolarHBondContact O-CB 3.32Å; T111-D114 PolarHBondContact O-N 3.37Å; T111-D114 VanDerWaalsContact OG1-CG 3.26Å; T111-D114 PolarHBondContact OG1-OD2 3.41Å
112	L	92.4	Very high	95.2	Very high	74 Å²	74	28.1 Å²	28.1	39%	0.387	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-57.6	-29.2	178.4	-64.8	172.6	0	0	0	112.8	D114 S115 V145	L112-D114 PolarHBondContact O-N 3.17Å; L112-S115 WeakPolarHBondContact O-CB 3.45Å; L112-S115 PolarHBondContact O-N 2.9Å; L112-S115 PolarHBondContact O-OG 3.22Å; L112-V145 HydrophobicContact CD2-CB 4.4Å; L112-V145 HydrophobicContact CD2-CG1 4.13Å
113	N	91.9	Very high	95.3	Very high	141 Å²	141	27.1 Å²	27.1	75%	0.754	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-73.7	-12	177.6	-66.6	-21.4	0	0	0	114	Y64 T111	Y64-N113 PolarHBondContact OH-O 3.15Å; T111-N113 PolarHBondContact O-N 3.21Å; T111-N113 VanDerWaalsContact O-N 3.12Å
114	D	93.4	Very high	95.2	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.032	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-83.3	-0.8	175.1	-58.9	-43.4	0	0	0	111.5	F88 R91 V110 T111 L112 Y118	F88-D114 HydrophobicContact CE1-CB 4.12Å; F88-D114 WeakPolarHBondContact CE1-OD1 3.44Å; F88-D114 HydrophobicContact CZ-CB 4.38Å; F88-D114 WeakPolarHBondContact CZ-OD1 3.3Å; R91-D114 IonicContact CZ-OD1 3.65Å; R91-D114 IonicContact CZ-OD2 3.72Å; R91-D114 IonicContact NH1-OD1 3.36Å; R91-D114 PolarHBondContact NH1-OD1 3.48Å; R91-D114 IonicContact NH1-OD2 2.9Å; R91-D114 PolarHBondContact NH1-OD2 2.74Å; R91-D114 IonicContact NH2-OD1 2.89Å; R91-D114 PolarHBondContact NH2-OD1 2.93Å; R91-D114 IonicContact NH2-OD2 3.71Å; V110-D114 HydrophobicContact CG1-CB 4.27Å; T111-D114 PolarHBondContact N-OD2 3.14Å; T111-D114 WeakPolarHBondContact O-CB 3.32Å; T111-D114 PolarHBondContact O-N 3.37Å; T111-D114 VanDerWaalsContact OG1-CG 3.26Å; T111-D114 PolarHBondContact OG1-OD2 3.41Å; L112-D114 PolarHBondContact O-N 3.17Å; D114-Y118 WeakPolarHBondContact O-CE2 3.31Å; D114-Y118 PolarHBondContact O-OH 3.16Å
115	S	94.7	Very high	95	Very high	25 Å²	25	31.5 Å²	31.5	18%	0.175	17%	0.172	C	C	.	.			trans	-67.1	128.7	172	-57.2	0	0	0	0	110.9	Y64 L112 L143 V145	Y64-S115 PolarHBondContact OH-O 2.93Å; L112-S115 WeakPolarHBondContact O-CB 3.45Å; L112-S115 PolarHBondContact O-N 2.9Å; L112-S115 PolarHBondContact O-OG 3.22Å; S115-L143 WeakPolarHBondContact CA-O 3.37Å; S115-V145 WeakPolarHBondContact OG-CB 3.38Å; S115-V145 WeakPolarHBondContact OG-CG2 3Å; S115-V145 PolarHBondContact OG-N 3.24Å; S115-V145 VanDerWaalsContact OG-N 3.07Å
116	G	95.1	Very high	94.8	Very high	8 Å²	8	32.8 Å²	32.8	8%	0.082	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-159.8	-177	0	0	0	0	0	112.3	L143	G116-L143 PolarHBondContact N-O 3.01Å; G116-L143 PolarHBondContact O-N 2.92Å
117	L	96.6	Very high	94.4	Very high	35 Å²	35	36.9 Å²	36.9	18%	0.183	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.2	-178.7	-175.5	69.3	0	0	0	110.5	R65 L140 P142	R65-L117 HydrophobicContact CB-CB 4.31Å; R65-L117 PolarHBondContact N-O 2.9Å; R65-L117 PolarHBondContact O-N 3.36Å; L117-L140 HydrophobicContact CD1-CB 4.29Å; L117-L140 HydrophobicContact CD2-CD2 4.32Å; L117-P142 HydrophobicContact CD1-CB 4.24Å
118	Y	96.6	Very high	93.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.9	172.6	-65.3	-98.9	0	0	0	109.6	L43 F63 Y64 I74 F88 D114 I141 L143	L43-Y118 HydrophobicContact CD1-CD1 3.36Å; L43-Y118 HydrophobicContact CD1-CD2 4.2Å; L43-Y118 HydrophobicContact CD1-CE1 3.68Å; L43-Y118 HydrophobicContact CD1-CE2 4.48Å; L43-Y118 HydrophobicContact CD1-CG 3.64Å; L43-Y118 HydrophobicContact CD2-CD2 4.42Å; L43-Y118 HydrophobicContact CD2-CG 4.48Å; F63-Y118 CarbonylContact O-C 3.59Å; F63-Y118 WeakPolarHBondContact O-CA 3.27Å; Y64-Y118 AromaticContact CD2-CD1 3.94Å; Y64-Y118 HydrophobicContact CD2-CD1 3.94Å; Y64-Y118 HydrophobicContact CD2-CD2 4.11Å; Y64-Y118 AromaticContact CD2-CE1 3.54Å; Y64-Y118 HydrophobicContact CD2-CE1 3.54Å; Y64-Y118 AromaticContact CD2-CE2 3.69Å; Y64-Y118 HydrophobicContact CD2-CE2 3.69Å; Y64-Y118 HydrophobicContact CD2-CG 4.22Å; Y64-Y118 AromaticContact CD2-CZ 3.4Å; Y64-Y118 HydrophobicContact CE2-CD2 4.46Å; Y64-Y118 HydrophobicContact CE2-CE1 4.24Å; Y64-Y118 AromaticContact CE2-CE2 3.74Å; Y64-Y118 HydrophobicContact CE2-CE2 3.74Å; Y64-Y118 AromaticContact CE2-CZ 3.62Å; Y64-Y118 HydrophobicContact CG-CE1 4.22Å; I74-Y118 HydrophobicContact CD1-CD1 3.93Å; I74-Y118 HydrophobicContact CD1-CE1 4.01Å; F88-Y118 HydrophobicContact CE1-CE1 4.37Å; F88-Y118 WeakPolarHBondContact CE1-OH 3.43Å; F88-Y118 HydrophobicContact CZ-CE1 4.36Å; F88-Y118 WeakPolarHBondContact CZ-OH 3.36Å; D114-Y118 WeakPolarHBondContact O-CE2 3.31Å; D114-Y118 PolarHBondContact O-OH 3.16Å; Y118-I141 PolarHBondContact N-O 3.04Å; Y118-I141 PolarHBondContact O-N 2.91Å; Y118-L143 HydrophobicContact CD2-CB 3.79Å; Y118-L143 HydrophobicContact CD2-CD2 4.35Å; Y118-L143 HydrophobicContact CE2-CB 3.67Å; Y118-L143 HydrophobicContact CE2-CD2 3.59Å; Y118-L143 HydrophobicContact CE2-CG 4.27Å
119	T	97.1	Very high	93.2	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.4	-179.7	-57.1	0	0	0	0	109.6	W62 F63 T138 R139 L140	W62-T119 WeakPolarHBondContact CA-O 3.34Å; F63-T119 PolarHBondContact N-O 3.08Å; F63-T119 PolarHBondContact O-N 3.34Å; T119-T138 HydrophobicContact CG2-CG2 3.54Å; T119-R139 CarbonylContact C-O 3.58Å; T119-R139 WeakPolarHBondContact CA-O 3.16Å; T119-L140 HydrophobicContact CG2-CD2 3.85Å; T119-L140 WeakPolarHBondContact OG1-CD2 3.47Å
120	C	96.9	Very high	92.6	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.6	174	172.7	0	0	0	0	108.9	C45 W62 T138 R139	C45-C120 HydrophobicContact CB-CB 3.71Å; C45-C120 WeakPolarHBondContact CB-SG 3.14Å; C45-C120 WeakPolarHBondContact SG-CB 3.3Å; C45-C120 CovalentContact SG-SG 2.04Å; C45-C120 PolarHBondContact SG-SG 3.33Å; W62-C120 HydrophobicContact CD2-CB 4.06Å; W62-C120 HydrophobicContact CE3-CB 4.02Å; W62-C120 HydrophobicContact CH2-CB 3.81Å; W62-C120 HydrophobicContact CZ2-CB 3.82Å; W62-C120 HydrophobicContact CZ3-CB 3.91Å; C120-T138 CarbonylContact O-C 3.55Å; C120-T138 WeakPolarHBondContact O-CA 3.39Å; C120-R139 HydrophobicContact CB-CB 4.27Å; C120-R139 PolarHBondContact N-O 3.5Å; C120-R139 PolarHBondContact O-N 3.41Å
121	N	97.3	Very high	92.1	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.2	174.2	-79.7	-19	0	0	0	109.2	V60 E61 F63 T138	V60-N121 WeakPolarHBondContact CA-O 3.31Å; E61-N121 HydrophobicContact CB-CB 4.2Å; E61-N121 PolarHBondContact N-O 2.79Å; E61-N121 PolarHBondContact O-N 2.91Å; F63-N121 WeakPolarHBondContact CE2-ND2 3.34Å; N121-T138 WeakPolarHBondContact OD1-CB 3.46Å; N121-T138 WeakPolarHBondContact OD1-CG2 3.37Å; N121-T138 PolarHBondContact OD1-OG1 2.92Å
122	V	96.4	Very high	91.7	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.3	175	-171.4	0	0	0	0	108	T58 V103 R124 K136 T137	T58-V122 HydrophobicContact CG2-CG1 3.93Å; V103-V122 HydrophobicContact CG2-CG2 3.74Å; V122-R124 HydrophobicContact CG1-CG 4.17Å; V122-K136 CarbonylContact O-C 3.34Å; V122-K136 WeakPolarHBondContact O-CA 3.28Å; V122-T137 PolarHBondContact N-O 2.91Å; V122-T137 PolarHBondContact O-N 2.79Å
123	S	95.8	Very high	91.6	Very high	14 Å²	14	56.9 Å²	56.9	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.2	178.8	-58.8	0	0	0	0	108.7	T58 V59	T58-S123 WeakPolarHBondContact CA-O 3.39Å; V59-S123 PolarHBondContact N-O 3.3Å; V59-S123 PolarHBondContact O-N 2.93Å
124	R	94	Very high	91.5	Very high	10 Å²	10	56.3 Å²	56.3	4%	0.038	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.4	-177.6	-63.9	-169.8	175.8	130.5	-2	110.7	S47 T57 T58 L100 V122 F126 F134 V135	S47-R124 VanDerWaalsContact O-CZ 3.29Å; S47-R124 PolarHBondContact O-NH1 3.47Å; S47-R124 PolarHBondContact O-NH2 3.32Å; S47-R124 PolarHBondContact OG-NH1 3.29Å; T57-R124 WeakPolarHBondContact O-CA 3.16Å; T58-R124 HydrophobicContact CG2-CG 3.98Å; L100-R124 PolarHBondContact O-NH2 3.44Å; V122-R124 HydrophobicContact CG1-CG 4.17Å; R124-F126 HydrophobicContact CB-CE2 4.08Å; R124-F126 HydrophobicContact CB-CZ 4.29Å; R124-F134 CarbonylContact O-C 3.57Å; R124-F134 WeakPolarHBondContact O-CA 3.36Å; R124-V135 PolarHBondContact N-O 2.81Å; R124-V135 PolarHBondContact O-N 2.89Å
125	E	92.9	Very high	91.5	Very high	82 Å²	82	59.2 Å²	59.2	38%	0.383	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.3	167.3	-170.2	175.6	-179.8	0	0	108.1	A56 T57 R132 F134	A56-E125 CarbonylContact C-O 3.54Å; A56-E125 VanDerWaalsContact CA-O 3.3Å; A56-E125 WeakPolarHBondContact CA-O 3.42Å; T57-E125 PolarHBondContact N-O 3.23Å; T57-E125 PolarHBondContact O-N 2.95Å; E125-R132 HydrophobicContact CG-CB 4.25Å; E125-F134 HydrophobicContact CB-CD2 4.43Å
126	F	90.6	Very high	91.5	Very high	27 Å²	27	63.1 Å²	63.1	12%	0.118	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.1	-179.4	-64.9	-88.9	0	0	0	110.5	M49 V54 A56 R124 F128 R132 P133 V135	M49-F126 HydrophobicContact SD-CE1 4.46Å; V54-F126 HydrophobicContact CB-CD1 4.5Å; V54-F126 HydrophobicContact CG1-CB 4.31Å; V54-F126 HydrophobicContact CG1-CD1 3.9Å; A56-F126 HydrophobicContact CB-CD1 3.59Å; A56-F126 HydrophobicContact CB-CE1 3.86Å; A56-F126 HydrophobicContact CB-CG 4.15Å; R124-F126 HydrophobicContact CB-CE2 4.08Å; R124-F126 HydrophobicContact CB-CZ 4.29Å; F126-F128 HydrophobicContact CB-CD2 3.95Å; F126-F128 HydrophobicContact CB-CE2 3.41Å; F126-F128 VanDerWaalsContact CB-CE2 3.41Å; F126-F128 HydrophobicContact CB-CZ 4.17Å; F126-F128 HydrophobicContact CG-CE2 4.14Å; F126-R132 WeakPolarHBondContact O-CA 3.45Å; F126-P133 HydrophobicContact CB-CG 4.03Å; F126-P133 HydrophobicContact CD2-CG 4.34Å; F126-P133 PolarHBondContact N-O 3.46Å; F126-P133 VanDerWaalsContact N-O 3.07Å; F126-V135 HydrophobicContact CD2-CG2 4.34Å; F126-V135 HydrophobicContact CE2-CB 4.14Å; F126-V135 HydrophobicContact CE2-CG2 3.83Å
127	E	86.6	Confident	91.5	Very high	99 Å²	99	64.3 Å²	64.3	46%	0.463	32%	0.319	S	S	.	.			trans	-95.1	100.3	177.8	-64.4	-169.6	-168.2	0	0	110	E55	E55-E127 PolarHBondContact O-N 3.34Å
128	F	85.2	Confident	91.4	Very high	90 Å²	90	65.7 Å²	65.7	40%	0.395	33%	0.329	S	S	.	.			trans	-111.5	153.6	166	-53.7	-87.8	0	0	0	110.6	V54 F126 A130 H131 P133	V54-F128 HydrophobicContact CB-CE1 4.36Å; V54-F128 HydrophobicContact CB-CZ 4.49Å; V54-F128 HydrophobicContact CG1-CD1 4.26Å; V54-F128 HydrophobicContact CG1-CE1 3.64Å; V54-F128 HydrophobicContact CG1-CE2 4.3Å; V54-F128 HydrophobicContact CG1-CZ 3.67Å; V54-F128 HydrophobicContact CG2-CE1 3.72Å; V54-F128 HydrophobicContact CG2-CZ 4.16Å; F126-F128 HydrophobicContact CB-CD2 3.95Å; F126-F128 HydrophobicContact CB-CE2 3.41Å; F126-F128 VanDerWaalsContact CB-CE2 3.41Å; F126-F128 HydrophobicContact CB-CZ 4.17Å; F126-F128 HydrophobicContact CG-CE2 4.14Å; F128-A130 PolarHBondContact O-N 2.72Å; F128-A130 VanDerWaalsContact O-N 3.17Å; F128-H131 VanDerWaalsContact CB-O 3.24Å; F128-H131 WeakPolarHBondContact CB-O 3.41Å; F128-H131 PolarHBondContact N-O 2.84Å; F128-H131 PolarHBondContact O-N 2.79Å; F128-P133 VanDerWaalsContact CD2-CD 3.5Å; F128-P133 HydrophobicContact CD2-CG 3.8Å; F128-P133 HydrophobicContact CE2-CG 3.53Å
129	E	81.3	Confident	91.4	Very high	212 Å²	212	70.1 Å²	70.1	99%	0.991	35%	0.346	S	S	*	.	S	Bend	trans	-55.5	-35.8	-177.9	-66.5	-179.1	171.7	0	0	113.5
130	A	82.2	Confident	91.4	Very high	102 Å²	102	74.9 Å²	74.9	84%	0.843	37%	0.37	S	S	*	.	S	Bend	trans	-106.1	-18.9	-174.3	0	0	0	0	0	114.5	F128	F128-A130 PolarHBondContact O-N 2.72Å; F128-A130 VanDerWaalsContact O-N 3.17Å
131	H	83.4	Confident	91.4	Very high	126 Å²	126	75.3 Å²	75.3	58%	0.583	37%	0.372	S	S	*	.			trans	-155.8	150.9	-173.7	-172.2	60.1	0	0	0	112.2	F128 P133	F128-H131 VanDerWaalsContact CB-O 3.24Å; F128-H131 WeakPolarHBondContact CB-O 3.41Å; F128-H131 PolarHBondContact N-O 2.84Å; F128-H131 PolarHBondContact O-N 2.79Å; H131-P133 WeakPolarHBondContact O-CD 3.46Å
132	R	86.3	Confident	91.3	Very high	154 Å²	154	78 Å²	78	58%	0.581	39%	0.391	S	S	*	.			trans	-120.1	83.5	176	-64.5	-176.3	-177.2	-168.9	-4.3	110.2	E125 F126	E125-R132 HydrophobicContact CG-CB 4.25Å; F126-R132 WeakPolarHBondContact O-CA 3.45Å
133	P	89	Confident	91.3	Very high	36 Å²	36	78.3 Å²	78.3	23%	0.234	39%	0.392	C	S	.	.			trans	-72	135.4	178.8	28.7	-29.3	0	0	0	109.6	F126 F128 H131	F126-P133 HydrophobicContact CB-CG 4.03Å; F126-P133 HydrophobicContact CD2-CG 4.34Å; F126-P133 PolarHBondContact N-O 3.46Å; F126-P133 VanDerWaalsContact N-O 3.07Å; F128-P133 VanDerWaalsContact CD2-CD 3.5Å; F128-P133 HydrophobicContact CD2-CG 3.8Å; F128-P133 HydrophobicContact CE2-CG 3.53Å; H131-P133 WeakPolarHBondContact O-CD 3.46Å
134	F	90.9	Very high	91.2	Very high	129 Å²	129	85.7 Å²	85.7	57%	0.566	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	128.2	174.2	178.2	-96.2	0	0	0	110	R124 E125 K136	R124-F134 CarbonylContact O-C 3.57Å; R124-F134 WeakPolarHBondContact O-CA 3.36Å; E125-F134 HydrophobicContact CB-CD2 4.43Å; F134-K136 HydrophobicContact CE1-CB 3.97Å; F134-K136 HydrophobicContact CZ-CB 4.39Å
135	V	92.3	Very high	91.3	Very high	67 Å²	67	85.7 Å²	85.7	41%	0.406	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.2	178.4	-179.2	0	0	0	0	109.2	R124 F126	R124-V135 PolarHBondContact N-O 2.81Å; R124-V135 PolarHBondContact O-N 2.89Å; F126-V135 HydrophobicContact CD2-CG2 4.34Å; F126-V135 HydrophobicContact CE2-CB 4.14Å; F126-V135 HydrophobicContact CE2-CG2 3.83Å
136	K	94.6	Very high	91.3	Very high	108 Å²	108	83.6 Å²	83.6	47%	0.47	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	125.7	173.3	-174.6	168.5	-178.8	167.1	0	110.1	V122 F134	V122-K136 CarbonylContact O-C 3.34Å; V122-K136 WeakPolarHBondContact O-CA 3.28Å; F134-K136 HydrophobicContact CE1-CB 3.97Å; F134-K136 HydrophobicContact CZ-CB 4.39Å
137	T	95.2	Very high	91.4	Very high	32 Å²	32	88.9 Å²	88.9	20%	0.196	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	129	175.8	-60.1	0	0	0	0	109	V122	V122-T137 PolarHBondContact N-O 2.91Å; V122-T137 PolarHBondContact O-N 2.79Å
138	T	96.1	Very high	91.4	Very high	64 Å²	64	91.8 Å²	91.8	39%	0.393	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.5	178.5	-61.2	0	0	0	0	109.7	T119 C120 N121 L140	T119-T138 HydrophobicContact CG2-CG2 3.54Å; C120-T138 CarbonylContact O-C 3.55Å; C120-T138 WeakPolarHBondContact O-CA 3.39Å; N121-T138 WeakPolarHBondContact OD1-CB 3.46Å; N121-T138 WeakPolarHBondContact OD1-CG2 3.37Å; N121-T138 PolarHBondContact OD1-OG1 2.92Å; T138-L140 HydrophobicContact CG2-CD2 4.41Å
139	R	96.4	Very high	91.3	Very high	94 Å²	94	91.2 Å²	91.2	36%	0.355	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130	174.6	-63	-66.1	179.4	-138.8	5.4	109.5	E28 T119 C120	E28-R139 IonicContact OE1-NH2 3.23Å; E28-R139 IonicContact OE2-CZ 2.8Å; E28-R139 IonicContact OE2-NH2 3.46Å; E28-R139 PolarHBondContact OE2-NH2 3.47Å; T119-R139 CarbonylContact C-O 3.58Å; T119-R139 WeakPolarHBondContact CA-O 3.16Å; C120-R139 HydrophobicContact CB-CB 4.27Å; C120-R139 PolarHBondContact N-O 3.5Å; C120-R139 PolarHBondContact O-N 3.41Å
140	L	96	Very high	91.2	Very high	109 Å²	109	83.4 Å²	83.4	57%	0.571	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.3	-179.3	-62.7	173.5	0	0	0	108.4	L117 T119 T138	L117-L140 HydrophobicContact CD1-CB 4.29Å; L117-L140 HydrophobicContact CD2-CD2 4.32Å; T119-L140 HydrophobicContact CG2-CD2 3.85Å; T119-L140 WeakPolarHBondContact OG1-CD2 3.47Å; T138-L140 HydrophobicContact CG2-CD2 4.41Å
141	I	96.9	Very high	91	Very high	8 Å²	8	86.2 Å²	86.2	4%	0.041	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	97.9	-175.8	-59.2	162.1	0	0	0	107.5	L43 R44 W62 Y118 L143	L43-I141 HydrophobicContact CD2-CG2 4.06Å; R44-I141 WeakPolarHBondContact O-CD1 3.35Å; W62-I141 HydrophobicContact CH2-CD1 3.65Å; W62-I141 HydrophobicContact CZ3-CD1 3.8Å; Y118-I141 PolarHBondContact N-O 3.04Å; Y118-I141 PolarHBondContact O-N 2.91Å; I141-L143 PolarHBondContact O-N 2.93Å
142	P	96.1	Very high	90.8	Very high	75 Å²	75	86 Å²	86	49%	0.487	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	117	171.5	29.8	-30.5	0	0	0	108.5	T33 L117	T33-P142 WeakPolarHBondContact CA-O 3.33Å; T33-P142 VanDerWaalsContact CB-O 3.28Å; T33-P142 WeakPolarHBondContact CB-O 3.34Å; T33-P142 HydrophobicContact CG2-CG 4.15Å; T33-P142 WeakPolarHBondContact CG2-O 3.33Å; L117-P142 HydrophobicContact CD1-CB 4.24Å
143	L	95.6	Very high	90.7	Very high	6 Å²	6	87 Å²	87	3%	0.031	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.1	177.5	-174.1	70.3	0	0	0	109.8	T33 A35 M41 L43 S115 G116 Y118 I141 V145	T33-L143 CarbonylContact O-C 3.52Å; T33-L143 WeakPolarHBondContact O-CA 3.35Å; A35-L143 HydrophobicContact CB-CD1 3.87Å; M41-L143 HydrophobicContact CE-CD1 3.8Å; M41-L143 HydrophobicContact CG-CD1 4.05Å; L43-L143 HydrophobicContact CD2-CD1 4.31Å; L43-L143 HydrophobicContact CD2-CD2 4.33Å; S115-L143 WeakPolarHBondContact CA-O 3.37Å; G116-L143 PolarHBondContact N-O 3.01Å; G116-L143 PolarHBondContact O-N 2.92Å; Y118-L143 HydrophobicContact CD2-CB 3.79Å; Y118-L143 HydrophobicContact CD2-CD2 4.35Å; Y118-L143 HydrophobicContact CE2-CB 3.67Å; Y118-L143 HydrophobicContact CE2-CD2 3.59Å; Y118-L143 HydrophobicContact CE2-CG 4.27Å; I141-L143 PolarHBondContact O-N 2.93Å; L143-V145 HydrophobicContact CD2-CG2 4.23Å; L143-V145 HydrophobicContact CG-CG2 4.38Å
144	R	94.8	Very high	90.5	Very high	169 Å²	169	90.4 Å²	90.4	64%	0.638	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.4	170.6	-170.6	176.7	-171.5	-178.7	1.4	109.2	T33 E34 A35	T33-R144 PolarHBondContact O-N 3.32Å; E34-R144 WeakPolarHBondContact CA-O 3.26Å; A35-R144 PolarHBondContact N-O 3.37Å
145	V	94.8	Very high	90.5	Very high	10 Å²	10	87.3 Å²	87.3	6%	0.061	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.8	177	-173.3	0	0	0	0	109.4	A35 Q37 V110 L112 S115 L143	A35-V145 CarbonylContact O-C 3.57Å; A35-V145 VanDerWaalsContact O-CA 3.28Å; A35-V145 WeakPolarHBondContact O-CA 3.28Å; Q37-V145 HydrophobicContact CB-CG1 4.31Å; V110-V145 HydrophobicContact CG1-CB 4.22Å; V110-V145 HydrophobicContact CG1-CG1 3.7Å; V110-V145 HydrophobicContact CG1-CG2 3.41Å; V110-V145 VanDerWaalsContact CG1-CG2 3.41Å; L112-V145 HydrophobicContact CD2-CB 4.4Å; L112-V145 HydrophobicContact CD2-CG1 4.13Å; S115-V145 WeakPolarHBondContact OG-CB 3.38Å; S115-V145 WeakPolarHBondContact OG-CG2 3Å; S115-V145 PolarHBondContact OG-N 3.24Å; S115-V145 VanDerWaalsContact OG-N 3.07Å; L143-V145 HydrophobicContact CD2-CG2 4.23Å; L143-V145 HydrophobicContact CG-CG2 4.38Å
146	T	93.6	Very high	90.4	Very high	38 Å²	38	86.8 Å²	86.8	23%	0.233	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	156.8	176.8	53.8	0	0	0	0	110.3	A35 V36 Q37 E148	A35-T146 PolarHBondContact O-N 2.78Å; V36-T146 CarbonylContact C-O 3.57Å; V36-T146 WeakPolarHBondContact CA-O 3.43Å; Q37-T146 PolarHBondContact N-O 3.47Å; T146-E148 VanDerWaalsContact C-N 3.33Å; T146-E148 WeakPolarHBondContact CB-O 3.18Å; T146-E148 PolarHBondContact OG1-O 3.43Å
147	E	92	Very high	90.2	Very high	138 Å²	138	85.7 Å²	85.7	65%	0.645	46%	0.461	S	S	*	.	S	Bend	trans	-73.3	-30.3	176.7	-61.8	-174.3	163.7	0	0	111.6	V36	V36-E147 WeakPolarHBondContact CG1-O 3.28Å
148	E	87.4	Confident	90.2	Very high	161 Å²	161	87.6 Å²	87.6	75%	0.752	48%	0.476	S	S	*	.	S	Bend	trans	-123	151.1	-179.7	-62.3	-176.7	169.7	0	0	110.6	T146	T146-E148 VanDerWaalsContact C-N 3.33Å; T146-E148 WeakPolarHBondContact CB-O 3.18Å; T146-E148 PolarHBondContact OG1-O 3.43Å
149	A	83.3	Confident	90.1	Very high	77 Å²	77	89.1 Å²	89.1	64%	0.636	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-71.5	128.1	175	0	0	0	0	0	110	V36	V36-A149 HydrophobicContact CG2-CB 3.76Å
150	G	77.6	Confident	90.1	Very high	49 Å²	49	89 Å²	89	51%	0.505	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-68	139.6	168.2	0	0	0	0	0	110.6
151	E	78.2	Confident	90	Very high	160 Å²	160	88.3 Å²	88.3	75%	0.748	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-78.7	134.2	168.9	-71.5	-177.1	125.4	0	0	110	F153	E151-F153 PolarHBondContact O-N 3.12Å
152	D	80.6	Confident	90	Very high	121 Å²	121	92.2 Å²	92.2	65%	0.647	50%	0.498	S	S	*	.			trans	-64.1	102.2	174.3	-77.9	-33.5	0	0	0	109.8	T154 S155 V156	D152-T154 PolarHBondContact O-N 2.85Å; D152-S155 WeakPolarHBondContact O-CA 3.04Å; D152-S155 WeakPolarHBondContact O-CB 3.45Å; D152-S155 PolarHBondContact O-N 3.33Å; D152-V156 PolarHBondContact O-N 2.89Å; D152-V156 VanDerWaalsContact O-N 3.16Å
153	F	83.7	Confident	90.1	Very high	175 Å²	175	94.8 Å²	94.8	77%	0.768	50%	0.499	S	S	*	.	H	α-helix	trans	-51.8	-33.1	177.2	-66.6	-74.2	0	0	0	112.4	E151 V156 V157	E151-F153 PolarHBondContact O-N 3.12Å; F153-V156 PolarHBondContact O-N 2.78Å; F153-V157 WeakPolarHBondContact O-CB 3.06Å; F153-V157 WeakPolarHBondContact O-CG2 3.45Å; F153-V157 PolarHBondContact O-N 2.87Å
154	T	84.8	Confident	90.2	Very high	108 Å²	108	99 Å²	99	66%	0.663	52%	0.52	S	S	*	.	H	α-helix	trans	-63.8	-42.2	176.6	54.2	0	0	0	0	112.1	D152 S158	D152-T154 PolarHBondContact O-N 2.85Å; T154-S158 VanDerWaalsContact O-CB 3.3Å; T154-S158 WeakPolarHBondContact O-CB 3.28Å; T154-S158 PolarHBondContact O-N 3.07Å; T154-S158 PolarHBondContact O-OG 2.84Å
155	S	90	Very high	90.4	Very high	65 Å²	65	95.6 Å²	95.6	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-52.2	176.2	-172.9	0	0	0	0	109.9	D152 V157 S158 E159	D152-S155 WeakPolarHBondContact O-CA 3.04Å; D152-S155 WeakPolarHBondContact O-CB 3.45Å; D152-S155 PolarHBondContact O-N 3.33Å; S155-V157 VanDerWaalsContact C-N 3.35Å; S155-V157 PolarHBondContact O-N 2.95Å; S155-S158 PolarHBondContact O-N 3.36Å; S155-S158 VanDerWaalsContact O-N 3.14Å; S155-S158 PolarHBondContact O-OG 2.75Å; S155-E159 PolarHBondContact O-N 3.45Å
156	V	90.1	Very high	90.5	Very high	56 Å²	56	99.4 Å²	99.4	34%	0.339	53%	0.534	S	S	.	.	H	α-helix	trans	-58.2	-45.9	179.6	179.9	0	0	0	0	111.5	D152 F153 S158 E159 I160	D152-V156 PolarHBondContact O-N 2.89Å; D152-V156 VanDerWaalsContact O-N 3.16Å; F153-V156 PolarHBondContact O-N 2.78Å; V156-S158 PolarHBondContact O-N 2.8Å; V156-E159 PolarHBondContact O-N 3.46Å; V156-I160 HydrophobicContact CG1-CD1 3.95Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 2.94Å; V156-I160 VanDerWaalsContact O-N 3.08Å
157	V	92.3	Very high	90.7	Very high	84 Å²	84	101.7 Å²	101.7	51%	0.509	55%	0.547	S	S	.	.	H	α-helix	trans	-65.2	-41.1	178.5	171.5	0	0	0	0	111.3	F153 S155 E159 I160 M161	F153-V157 WeakPolarHBondContact O-CB 3.06Å; F153-V157 WeakPolarHBondContact O-CG2 3.45Å; F153-V157 PolarHBondContact O-N 2.87Å; S155-V157 VanDerWaalsContact C-N 3.35Å; S155-V157 PolarHBondContact O-N 2.95Å; V157-E159 VanDerWaalsContact C-N 3.31Å; V157-E159 PolarHBondContact O-N 2.99Å; V157-I160 PolarHBondContact O-N 2.84Å; V157-M161 HydrophobicContact CG1-CG 4.19Å; V157-M161 WeakPolarHBondContact O-CB 3.44Å; V157-M161 VanDerWaalsContact O-CG 3.27Å; V157-M161 WeakPolarHBondContact O-CG 3.4Å; V157-M161 PolarHBondContact O-N 2.76Å
158	S	94.5	Very high	91	Very high	73 Å²	73	100.8 Å²	100.8	51%	0.51	54%	0.542	S	S	.	.	H	α-helix	trans	-64.2	-37.3	179.6	73.7	0	0	0	0	112.5	T154 S155 V156 M162	T154-S158 VanDerWaalsContact O-CB 3.3Å; T154-S158 WeakPolarHBondContact O-CB 3.28Å; T154-S158 PolarHBondContact O-N 3.07Å; T154-S158 PolarHBondContact O-OG 2.84Å; S155-S158 PolarHBondContact O-N 3.36Å; S155-S158 VanDerWaalsContact O-N 3.14Å; S155-S158 PolarHBondContact O-OG 2.75Å; V156-S158 PolarHBondContact O-N 2.8Å; S158-M162 WeakPolarHBondContact O-CB 3.42Å; S158-M162 PolarHBondContact O-N 2.79Å
159	E	93.5	Very high	91.5	Very high	96 Å²	96	97.9 Å²	97.9	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-66.2	-48.2	175.5	-179	175.4	-178.4	0	0	111.5	S155 V156 V157 M161 M162 Y163	S155-E159 PolarHBondContact O-N 3.45Å; V156-E159 PolarHBondContact O-N 3.46Å; V157-E159 VanDerWaalsContact C-N 3.31Å; V157-E159 PolarHBondContact O-N 2.99Å; E159-M161 VanDerWaalsContact C-N 3.35Å; E159-M161 PolarHBondContact O-N 2.81Å; E159-M162 WeakPolarHBondContact O-CB 3.35Å; E159-M162 PolarHBondContact O-N 3.2Å; E159-Y163 HydrophobicContact CG-CD2 3.99Å; E159-Y163 HydrophobicContact CG-CE2 3.51Å; E159-Y163 WeakPolarHBondContact O-CD2 3.48Å; E159-Y163 PolarHBondContact O-N 3Å; E159-Y163 VanDerWaalsContact O-N 3.1Å
160	I	95.7	Very high	92.1	Very high	90 Å²	90	98.2 Å²	98.2	46%	0.462	53%	0.525	S	S	.	.	H	α-helix	trans	-60	-45.9	176.8	-66.6	167.9	0	0	0	110.8	V156 V157 M162 Y163 I164	V156-I160 HydrophobicContact CG1-CD1 3.95Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 2.94Å; V156-I160 VanDerWaalsContact O-N 3.08Å; V157-I160 PolarHBondContact O-N 2.84Å; I160-M162 VanDerWaalsContact C-N 3.32Å; I160-M162 PolarHBondContact O-N 3.5Å; I160-Y163 PolarHBondContact O-N 3.33Å; I160-I164 HydrophobicContact CG2-CD1 3.8Å; I160-I164 HydrophobicContact CG2-CG1 4.42Å; I160-I164 WeakPolarHBondContact O-CG1 3.49Å; I160-I164 PolarHBondContact O-N 2.86Å
161	M	95.4	Very high	93.1	Very high	96 Å²	96	100.6 Å²	100.6	47%	0.473	53%	0.525	S	S	.	.	H	α-helix	trans	-62.6	-38.6	178.7	-74.7	-60.7	-62.3	0	0	112.2	V157 E159 I164 L165	V157-M161 HydrophobicContact CG1-CG 4.19Å; V157-M161 WeakPolarHBondContact O-CB 3.44Å; V157-M161 VanDerWaalsContact O-CG 3.27Å; V157-M161 WeakPolarHBondContact O-CG 3.4Å; V157-M161 PolarHBondContact O-N 2.76Å; E159-M161 VanDerWaalsContact C-N 3.35Å; E159-M161 PolarHBondContact O-N 2.81Å; M161-I164 PolarHBondContact O-N 2.94Å; M161-I164 HydrophobicContact SD-CD1 4.42Å; M161-L165 WeakPolarHBondContact O-CG 3.44Å; M161-L165 PolarHBondContact O-N 3.31Å
162	M	96.7	Very high	94	Very high	90 Å²	90	99.7 Å²	99.7	44%	0.443	52%	0.515	S	S	.	.	H	α-helix	trans	-58.8	-49.3	173.6	-179.5	-161.4	67.6	0	0	110.9	S158 E159 I160 I164 L165 L166	S158-M162 WeakPolarHBondContact O-CB 3.42Å; S158-M162 PolarHBondContact O-N 2.79Å; E159-M162 WeakPolarHBondContact O-CB 3.35Å; E159-M162 PolarHBondContact O-N 3.2Å; I160-M162 VanDerWaalsContact C-N 3.32Å; I160-M162 PolarHBondContact O-N 3.5Å; M162-I164 PolarHBondContact O-N 3.37Å; M162-L165 PolarHBondContact O-N 3.29Å; M162-L166 HydrophobicContact CE-CD1 4.46Å; M162-L166 HydrophobicContact CG-CD1 4.12Å; M162-L166 VanDerWaalsContact O-CG 3.31Å; M162-L166 WeakPolarHBondContact O-CG 3.07Å; M162-L166 PolarHBondContact O-N 3.47Å
163	Y	97.8	Very high	94.8	Very high	129 Å²	129	99.7 Å²	99.7	51%	0.506	51%	0.514	S	S	.	.	H	α-helix	trans	-62.3	-41.6	179.2	-72.5	-58.4	0	0	0	112.8	E159 I160 L165 L166 V167	E159-Y163 HydrophobicContact CG-CD2 3.99Å; E159-Y163 HydrophobicContact CG-CE2 3.51Å; E159-Y163 WeakPolarHBondContact O-CD2 3.48Å; E159-Y163 PolarHBondContact O-N 3Å; E159-Y163 VanDerWaalsContact O-N 3.1Å; I160-Y163 PolarHBondContact O-N 3.33Å; Y163-L165 VanDerWaalsContact C-N 3.35Å; Y163-L165 PolarHBondContact O-N 2.5Å; Y163-L166 PolarHBondContact O-N 3.06Å; Y163-V167 WeakPolarHBondContact O-CG2 3.27Å; Y163-V167 PolarHBondContact O-N 3.03Å
164	I	98	Very high	95.5	Very high	93 Å²	93	96.9 Å²	96.9	48%	0.477	50%	0.502	S	S	.	.	H	α-helix	trans	-60.1	-45.9	177.1	-68.6	169	0	0	0	110.8	I160 M161 M162 L166 V167 F168	I160-I164 HydrophobicContact CG2-CD1 3.8Å; I160-I164 HydrophobicContact CG2-CG1 4.42Å; I160-I164 WeakPolarHBondContact O-CG1 3.49Å; I160-I164 PolarHBondContact O-N 2.86Å; M161-I164 PolarHBondContact O-N 2.94Å; M161-I164 HydrophobicContact SD-CD1 4.42Å; M162-I164 PolarHBondContact O-N 3.37Å; I164-L166 PolarHBondContact O-N 3.04Å; I164-V167 PolarHBondContact O-N 3.19Å; I164-F168 WeakPolarHBondContact O-CB 3.23Å; I164-F168 PolarHBondContact O-N 3.04Å
165	L	97.6	Very high	96.1	Very high	98 Å²	98	97 Å²	97	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-41.2	178.2	-71.3	173.4	0	0	0	111.8	M161 M162 Y163 F168 L169	M161-L165 WeakPolarHBondContact O-CG 3.44Å; M161-L165 PolarHBondContact O-N 3.31Å; M162-L165 PolarHBondContact O-N 3.29Å; Y163-L165 VanDerWaalsContact C-N 3.35Å; Y163-L165 PolarHBondContact O-N 2.5Å; L165-F168 PolarHBondContact O-N 3.48Å; L165-L169 WeakPolarHBondContact O-CB 3.43Å; L165-L169 VanDerWaalsContact O-CG 3.23Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.79Å
166	L	97.6	Very high	96.4	Very high	91 Å²	91	98.1 Å²	98.1	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-45.4	176.7	-71	172.5	0	0	0	112.1	M162 Y163 I164 T170	M162-L166 HydrophobicContact CE-CD1 4.46Å; M162-L166 HydrophobicContact CG-CD1 4.12Å; M162-L166 VanDerWaalsContact O-CG 3.31Å; M162-L166 WeakPolarHBondContact O-CG 3.07Å; M162-L166 PolarHBondContact O-N 3.47Å; Y163-L166 PolarHBondContact O-N 3.06Å; I164-L166 PolarHBondContact O-N 3.04Å; L166-T170 WeakPolarHBondContact O-CB 3.41Å; L166-T170 VanDerWaalsContact O-CG2 3.22Å; L166-T170 WeakPolarHBondContact O-CG2 3.14Å; L166-T170 PolarHBondContact O-N 3.19Å; L166-T170 PolarHBondContact O-OG1 3.46Å
167	V	98.2	Very high	96.7	Very high	86 Å²	86	100.5 Å²	100.5	52%	0.521	50%	0.504	S	S	.	.	H	α-helix	trans	-64.7	-43.1	177.9	173.9	0	0	0	0	110.9	Y163 I164 T170 L171	Y163-V167 WeakPolarHBondContact O-CG2 3.27Å; Y163-V167 PolarHBondContact O-N 3.03Å; I164-V167 PolarHBondContact O-N 3.19Å; V167-T170 WeakPolarHBondContact CA-OG1 2.92Å; V167-T170 PolarHBondContact O-N 3.36Å; V167-T170 PolarHBondContact O-OG1 2.98Å; V167-L171 HydrophobicContact CG1-CD1 3.91Å; V167-L171 HydrophobicContact CG1-CG 4.39Å; V167-L171 WeakPolarHBondContact O-CB 3.02Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.49Å; V167-L171 PolarHBondContact O-N 2.92Å
168	F	98.3	Very high	96.9	Very high	119 Å²	119	99.3 Å²	99.3	52%	0.522	50%	0.495	S	S	.	.	H	α-helix	trans	-63.3	-46.8	178.7	-177.5	-98.5	0	0	0	112.3	I164 L165 L171 W172	I164-F168 WeakPolarHBondContact O-CB 3.23Å; I164-F168 PolarHBondContact O-N 3.04Å; L165-F168 PolarHBondContact O-N 3.48Å; F168-L171 PolarHBondContact O-N 3.25Å; F168-W172 AromaticContact CE1-CE3 3.65Å; F168-W172 HydrophobicContact CE1-CE3 3.65Å; F168-W172 HydrophobicContact CE1-CZ3 4.05Å; F168-W172 AromaticContact CZ-CE3 3.78Å; F168-W172 HydrophobicContact CZ-CE3 3.78Å; F168-W172 HydrophobicContact CZ-CZ3 4.04Å; F168-W172 WeakPolarHBondContact O-CB 3.44Å; F168-W172 PolarHBondContact O-N 2.88Å
169	L	97.6	Very high	97	Very high	99 Å²	99	102.4 Å²	102.4	52%	0.518	50%	0.496	S	S	.	.	H	α-helix	trans	-65.9	-39.6	179.4	-69.7	176.2	0	0	0	112.2	L165 W172 L173	L165-L169 WeakPolarHBondContact O-CB 3.43Å; L165-L169 VanDerWaalsContact O-CG 3.23Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.79Å; L169-W172 PolarHBondContact O-N 3.28Å; L169-L173 WeakPolarHBondContact O-CG 3.01Å; L169-L173 PolarHBondContact O-N 3.25Å
170	T	97.3	Very high	97.1	Very high	84 Å²	84	101 Å²	101	52%	0.515	50%	0.496	S	S	.	.	H	α-helix	trans	-66.6	-42.6	177.1	49.9	0	0	0	0	111.9	L166 V167 L173 F174	L166-T170 WeakPolarHBondContact O-CB 3.41Å; L166-T170 VanDerWaalsContact O-CG2 3.22Å; L166-T170 WeakPolarHBondContact O-CG2 3.14Å; L166-T170 PolarHBondContact O-N 3.19Å; L166-T170 PolarHBondContact O-OG1 3.46Å; V167-T170 WeakPolarHBondContact CA-OG1 2.92Å; V167-T170 PolarHBondContact O-N 3.36Å; V167-T170 PolarHBondContact O-OG1 2.98Å; T170-L173 PolarHBondContact O-N 2.04Å; T170-F174 VanDerWaalsContact O-CB 3.3Å; T170-F174 WeakPolarHBondContact O-CB 3.45Å; T170-F174 PolarHBondContact O-N 3.03Å
171	L	97.7	Very high	97.1	Very high	99 Å²	99	104.9 Å²	104.9	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-42.3	174.2	-72	174.8	0	0	0	111.9	V167 F168 F174 I175	V167-L171 HydrophobicContact CG1-CD1 3.91Å; V167-L171 HydrophobicContact CG1-CG 4.39Å; V167-L171 WeakPolarHBondContact O-CB 3.02Å; V167-L171 VanDerWaalsContact O-CG 3.27Å; V167-L171 WeakPolarHBondContact O-CG 3.49Å; V167-L171 PolarHBondContact O-N 2.92Å; F168-L171 PolarHBondContact O-N 3.25Å; L171-F174 PolarHBondContact O-N 2.86Å; L171-I175 VanDerWaalsContact O-CG1 3.25Å; L171-I175 WeakPolarHBondContact O-CG1 3.42Å; L171-I175 PolarHBondContact O-N 2.83Å
172	W	97.5	Very high	97	Very high	142 Å²	142	108.4 Å²	108.4	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-57.1	-54.2	174.2	-173.7	-52.4	0	0	0	111.1	F168 L169 F174 I175 E176	F168-W172 AromaticContact CE1-CE3 3.65Å; F168-W172 HydrophobicContact CE1-CE3 3.65Å; F168-W172 HydrophobicContact CE1-CZ3 4.05Å; F168-W172 AromaticContact CZ-CE3 3.78Å; F168-W172 HydrophobicContact CZ-CE3 3.78Å; F168-W172 HydrophobicContact CZ-CZ3 4.04Å; F168-W172 WeakPolarHBondContact O-CB 3.44Å; F168-W172 PolarHBondContact O-N 2.88Å; L169-W172 PolarHBondContact O-N 3.28Å; W172-F174 VanDerWaalsContact C-N 3.26Å; W172-F174 PolarHBondContact O-N 2.97Å; W172-I175 PolarHBondContact O-N 3.37Å; W172-I175 VanDerWaalsContact O-N 3.15Å; W172-E176 PolarHBondContact O-N 3.37Å
173	L	97.2	Very high	96.9	Very high	120 Å²	120	110.4 Å²	110.4	63%	0.628	52%	0.52	S	S	*	.	H	α-helix	trans	-60.9	-37	-179.5	-71.1	178.2	0	0	0	111.9	L169 T170 E176 M177	L169-L173 WeakPolarHBondContact O-CG 3.01Å; L169-L173 PolarHBondContact O-N 3.25Å; T170-L173 PolarHBondContact O-N 2.04Å; L173-E176 PolarHBondContact O-N 3.38Å; L173-M177 VanDerWaalsContact O-CB 3.23Å; L173-M177 WeakPolarHBondContact O-CB 3.41Å; L173-M177 PolarHBondContact O-N 2.9Å
174	F	97.5	Very high	96.6	Very high	117 Å²	117	108.6 Å²	108.6	51%	0.513	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-40.8	176.2	-172.5	-108.3	0	0	0	112.1	T170 L171 W172 M177 I178	T170-F174 VanDerWaalsContact O-CB 3.3Å; T170-F174 WeakPolarHBondContact O-CB 3.45Å; T170-F174 PolarHBondContact O-N 3.03Å; L171-F174 PolarHBondContact O-N 2.86Å; W172-F174 VanDerWaalsContact C-N 3.26Å; W172-F174 PolarHBondContact O-N 2.97Å; F174-M177 HydrophobicContact CD2-CE 3.65Å; F174-M177 HydrophobicContact CE2-CE 3.63Å; F174-M177 PolarHBondContact O-N 2.78Å; F174-I178 HydrophobicContact CD1-CD1 3.71Å; F174-I178 HydrophobicContact CE1-CD1 3.29Å; F174-I178 HydrophobicContact CE1-CG1 4.35Å; F174-I178 HydrophobicContact CE2-CD1 4.37Å; F174-I178 HydrophobicContact CG-CD1 4.42Å; F174-I178 HydrophobicContact CZ-CD1 3.67Å; F174-I178 HydrophobicContact CZ-CG1 4.41Å; F174-I178 WeakPolarHBondContact O-CG1 3.42Å; F174-I178 PolarHBondContact O-N 3.17Å
175	I	97.7	Very high	96.1	Very high	111 Å²	111	105.9 Å²	105.9	57%	0.569	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-47.3	174.8	-69.3	164.8	0	0	0	110.6	L171 W172 M177 I178 Y179	L171-I175 VanDerWaalsContact O-CG1 3.25Å; L171-I175 WeakPolarHBondContact O-CG1 3.42Å; L171-I175 PolarHBondContact O-N 2.83Å; W172-I175 PolarHBondContact O-N 3.37Å; W172-I175 VanDerWaalsContact O-N 3.15Å; I175-M177 VanDerWaalsContact C-N 3.34Å; I175-M177 PolarHBondContact O-N 3.05Å; I175-I178 PolarHBondContact O-N 2.04Å; I175-Y179 WeakPolarHBondContact O-CB 3.25Å; I175-Y179 PolarHBondContact O-N 3.01Å
176	E	97.1	Very high	95.7	Very high	87 Å²	87	108.1 Å²	108.1	41%	0.407	52%	0.518	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.8	-75.7	-64.7	158.6	0	0	111.6	W172 L173 I178 Y179 C180	W172-E176 PolarHBondContact O-N 3.37Å; L173-E176 PolarHBondContact O-N 3.38Å; E176-I178 PolarHBondContact O-N 2.76Å; E176-Y179 PolarHBondContact O-N 3.16Å; E176-C180 WeakPolarHBondContact O-CB 3.4Å; E176-C180 PolarHBondContact O-N 2.8Å; E176-C180 PolarHBondContact O-SG 3.17Å; E176-C180 VanDerWaalsContact O-SG 3.36Å
177	M	96.2	Very high	95.1	Very high	106 Å²	106	106.7 Å²	106.7	52%	0.522	52%	0.519	S	S	.	.	H	α-helix	trans	-59.4	-47.5	175.4	-176.7	-156.7	70.6	0	0	111.3	L173 F174 I175 Y179 Y181	L173-M177 VanDerWaalsContact O-CB 3.23Å; L173-M177 WeakPolarHBondContact O-CB 3.41Å; L173-M177 PolarHBondContact O-N 2.9Å; F174-M177 HydrophobicContact CD2-CE 3.65Å; F174-M177 HydrophobicContact CE2-CE 3.63Å; F174-M177 PolarHBondContact O-N 2.78Å; I175-M177 VanDerWaalsContact C-N 3.34Å; I175-M177 PolarHBondContact O-N 3.05Å; M177-Y179 VanDerWaalsContact C-N 3.34Å; M177-Y181 WeakPolarHBondContact O-CB 3.35Å; M177-Y181 PolarHBondContact O-N 2.73Å
178	I	97.1	Very high	94.4	Very high	60 Å²	60	109 Å²	109	31%	0.308	52%	0.524	S	S	.	.	H	α-helix	trans	-63.3	-42.1	176.5	-71.2	171.4	0	0	0	111	F174 I175 E176 Y181 R182	F174-I178 HydrophobicContact CD1-CD1 3.71Å; F174-I178 HydrophobicContact CE1-CD1 3.29Å; F174-I178 HydrophobicContact CE1-CG1 4.35Å; F174-I178 HydrophobicContact CE2-CD1 4.37Å; F174-I178 HydrophobicContact CG-CD1 4.42Å; F174-I178 HydrophobicContact CZ-CD1 3.67Å; F174-I178 HydrophobicContact CZ-CG1 4.41Å; F174-I178 WeakPolarHBondContact O-CG1 3.42Å; F174-I178 PolarHBondContact O-N 3.17Å; I175-I178 PolarHBondContact O-N 2.04Å; E176-I178 PolarHBondContact O-N 2.76Å; I178-Y181 PolarHBondContact O-N 2.88Å; I178-R182 HydrophobicContact CG2-CG 4.39Å; I178-R182 WeakPolarHBondContact O-CB 3.39Å; I178-R182 WeakPolarHBondContact O-CG 3.45Å; I178-R182 PolarHBondContact O-N 2.94Å
179	Y	96.4	Very high	93.5	Very high	138 Å²	138	110 Å²	110	54%	0.541	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-50.3	178.9	175.5	-98.3	0	0	0	111.2	I175 E176 M177 Y181 R182 K183	I175-Y179 WeakPolarHBondContact O-CB 3.25Å; I175-Y179 PolarHBondContact O-N 3.01Å; E176-Y179 PolarHBondContact O-N 3.16Å; M177-Y179 VanDerWaalsContact C-N 3.34Å; Y179-Y181 PolarHBondContact O-N 3.11Å; Y179-R182 PolarHBondContact O-N 3.41Å; Y179-K183 HydrophobicContact CE1-CD 4.4Å; Y179-K183 WeakPolarHBondContact O-CB 3.4Å; Y179-K183 PolarHBondContact O-N 3.23Å
180	C	95.3	Very high	92.4	Very high	67 Å²	67	107.4 Å²	107.4	45%	0.453	52%	0.523	S	S	.	.	H	α-helix	trans	-59.4	-45.9	174.8	-73.1	0	0	0	0	111.5	E176 K183 V184	E176-C180 WeakPolarHBondContact O-CB 3.4Å; E176-C180 PolarHBondContact O-N 2.8Å; E176-C180 PolarHBondContact O-SG 3.17Å; E176-C180 VanDerWaalsContact O-SG 3.36Å; C180-K183 PolarHBondContact O-N 3.35Å; C180-V184 WeakPolarHBondContact O-CG2 3.5Å; C180-V184 PolarHBondContact O-N 2.84Å
181	Y	94.5	Very high	91.3	Very high	171 Å²	171	106.2 Å²	106.2	67%	0.671	52%	0.522	S	S	*	.	H	α-helix	trans	-58.6	-51.2	178.7	177.5	-100.1	0	0	0	111.7	M177 I178 Y179 K183 V184 S185	M177-Y181 WeakPolarHBondContact O-CB 3.35Å; M177-Y181 PolarHBondContact O-N 2.73Å; I178-Y181 PolarHBondContact O-N 2.88Å; Y179-Y181 PolarHBondContact O-N 3.11Å; Y181-K183 VanDerWaalsContact C-N 3.27Å; Y181-K183 PolarHBondContact O-N 3.23Å; Y181-V184 PolarHBondContact O-N 2.91Å; Y181-S185 WeakPolarHBondContact O-CB 3.42Å; Y181-S185 PolarHBondContact O-N 3.01Å
182	R	94.2	Very high	90.1	Very high	170 Å²	170	108.4 Å²	108.4	64%	0.642	53%	0.53	S	S	*	.	H	α-helix	trans	-63.1	-33.2	177.9	-76	-176	170.6	-172.8	-1.5	112.9	I178 Y179 S185 K186	I178-R182 HydrophobicContact CG2-CG 4.39Å; I178-R182 WeakPolarHBondContact O-CB 3.39Å; I178-R182 WeakPolarHBondContact O-CG 3.45Å; I178-R182 PolarHBondContact O-N 2.94Å; Y179-R182 PolarHBondContact O-N 3.41Å; R182-S185 PolarHBondContact O-OG 2.9Å; R182-S185 VanDerWaalsContact O-OG 3.08Å; R182-K186 WeakPolarHBondContact O-CG 3.3Å; R182-K186 PolarHBondContact O-N 2.91Å
183	K	93.6	Very high	88.9	Confident	131 Å²	131	108.2 Å²	108.2	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-69.6	-44.8	177.2	-175.2	176.8	-179.1	178.9	0	111.2	Y179 C180 Y181 A187	Y179-K183 HydrophobicContact CE1-CD 4.4Å; Y179-K183 WeakPolarHBondContact O-CB 3.4Å; Y179-K183 PolarHBondContact O-N 3.23Å; C180-K183 PolarHBondContact O-N 3.35Å; Y181-K183 VanDerWaalsContact C-N 3.27Å; Y181-K183 PolarHBondContact O-N 3.23Å; K183-A187 PolarHBondContact O-N 3.44Å; K183-A187 VanDerWaalsContact O-N 3.14Å
184	V	92.3	Very high	87.5	Confident	92 Å²	92	107.2 Å²	107.2	56%	0.558	53%	0.53	S	S	*	.	H	α-helix	trans	-65.7	-44.8	177.8	172.9	0	0	0	0	110.9	C180 Y181 K186 A187 E188	C180-V184 WeakPolarHBondContact O-CG2 3.5Å; C180-V184 PolarHBondContact O-N 2.84Å; Y181-V184 PolarHBondContact O-N 2.91Å; V184-K186 VanDerWaalsContact C-N 3.31Å; V184-K186 PolarHBondContact O-N 2.86Å; V184-A187 WeakPolarHBondContact O-CB 3.33Å; V184-A187 PolarHBondContact O-N 2.88Å; V184-E188 PolarHBondContact O-N 2.86Å
185	S	88	Confident	86.2	Confident	35 Å²	35	104.2 Å²	104.2	25%	0.245	53%	0.526	C	S	.	.	H	α-helix	trans	-59	-42.7	179.3	73.5	0	0	0	0	112	Y181 R182 A187 E188 E189	Y181-S185 WeakPolarHBondContact O-CB 3.42Å; Y181-S185 PolarHBondContact O-N 3.01Å; R182-S185 PolarHBondContact O-OG 2.9Å; R182-S185 VanDerWaalsContact O-OG 3.08Å; S185-A187 VanDerWaalsContact C-N 3.34Å; S185-A187 PolarHBondContact O-N 2.81Å; S185-E188 PolarHBondContact O-N 2.84Å; S185-E189 WeakPolarHBondContact O-CG 3.49Å; S185-E189 PolarHBondContact O-N 3.15Å
186	K	89	Confident	84.8	Confident	146 Å²	146	102 Å²	102	64%	0.635	52%	0.521	S	S	*	.	H	α-helix	trans	-65.6	-34.9	175.1	-74.7	-177.8	176.8	-172	0	113.1	R182 V184 A190	R182-K186 WeakPolarHBondContact O-CG 3.3Å; R182-K186 PolarHBondContact O-N 2.91Å; V184-K186 VanDerWaalsContact C-N 3.31Å; V184-K186 PolarHBondContact O-N 2.86Å; K186-A190 WeakPolarHBondContact O-CB 3.4Å; K186-A190 PolarHBondContact O-N 3.03Å; K186-A190 VanDerWaalsContact O-N 3.16Å
187	A	83.8	Confident	83.1	Confident	61 Å²	61	103.4 Å²	103.4	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-70.6	-34.5	176.8	0	0	0	0	0	111.9	K183 V184 S185 A191	K183-A187 PolarHBondContact O-N 3.44Å; K183-A187 VanDerWaalsContact O-N 3.14Å; V184-A187 WeakPolarHBondContact O-CB 3.33Å; V184-A187 PolarHBondContact O-N 2.88Å; S185-A187 VanDerWaalsContact C-N 3.34Å; S185-A187 PolarHBondContact O-N 2.81Å; A187-A191 WeakPolarHBondContact O-CB 3.49Å; A187-A191 PolarHBondContact O-N 2.83Å
188	E	84.1	Confident	81.3	Confident	134 Å²	134	107.1 Å²	107.1	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-69.1	-44.2	176.1	-169.2	171.6	-171.3	0	0	111.7	V184 S185 A190 A191 Q192	V184-E188 PolarHBondContact O-N 2.86Å; S185-E188 PolarHBondContact O-N 2.84Å; E188-A190 VanDerWaalsContact C-N 3.34Å; E188-A190 PolarHBondContact O-N 2.81Å; E188-A191 PolarHBondContact O-N 2.86Å; E188-Q192 PolarHBondContact O-N 2.85Å
189	E	80.1	Confident	79.5	Confident	139 Å²	139	111.8 Å²	111.8	65%	0.65	57%	0.565	S	S	*	*	H	α-helix	trans	-57	-45.7	172.1	-72.9	173.5	177.4	0	0	111.7	S185 A191 Q192 E193	S185-E189 WeakPolarHBondContact O-CG 3.49Å; S185-E189 PolarHBondContact O-N 3.15Å; E189-A191 PolarHBondContact O-N 2.8Å; E189-Q192 PolarHBondContact O-N 2.81Å; E189-E193 PolarHBondContact O-N 2.85Å; E189-E193 VanDerWaalsContact O-N 3.1Å
190	A	74.8	Confident	77.7	Confident	45 Å²	45	108.4 Å²	108.4	37%	0.372	57%	0.566	S	S	.	*	H	α-helix	trans	-66.7	-33.1	177.9	0	0	0	0	0	113.4	K186 E188 N194	K186-A190 WeakPolarHBondContact O-CB 3.4Å; K186-A190 PolarHBondContact O-N 3.03Å; K186-A190 VanDerWaalsContact O-N 3.16Å; E188-A190 VanDerWaalsContact C-N 3.34Å; E188-A190 PolarHBondContact O-N 2.81Å; A190-N194 VanDerWaalsContact O-CG 3.29Å; A190-N194 PolarHBondContact O-N 2.82Å; A190-N194 VanDerWaalsContact O-N 3.17Å; A190-N194 PolarHBondContact O-ND2 3.3Å
191	A	73.5	Confident	75.6	Confident	60 Å²	60	111.1 Å²	111.1	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-69.8	-37.1	175.6	0	0	0	0	0	112.1	A187 E188 E189 A195	A187-A191 WeakPolarHBondContact O-CB 3.49Å; A187-A191 PolarHBondContact O-N 2.83Å; E188-A191 PolarHBondContact O-N 2.86Å; E189-A191 PolarHBondContact O-N 2.8Å; A191-A195 WeakPolarHBondContact O-CB 3.16Å; A191-A195 PolarHBondContact O-N 2.88Å
192	Q	73.3	Confident	73.3	Confident	145 Å²	145	107.8 Å²	107.8	68%	0.678	57%	0.574	S	S	*	*	H	α-helix	trans	-65.9	-44.3	176	-167.3	93.6	-3.1	0	0	111.6	E188 E189 A195 S196	E188-Q192 PolarHBondContact O-N 2.85Å; E189-Q192 PolarHBondContact O-N 2.81Å; Q192-A195 PolarHBondContact O-N 2.97Å; Q192-S196 WeakPolarHBondContact O-CB 3.37Å; Q192-S196 PolarHBondContact O-N 3Å; Q192-S196 PolarHBondContact O-OG 2.92Å
193	E	71.2	Confident	71.3	Confident	138 Å²	138	105.8 Å²	105.8	65%	0.645	59%	0.586	S	S	*	*	H	α-helix	trans	-61.2	-49.5	177	-169.8	179.4	-174.5	0	0	110.9	E189 A195 S196 D197	E189-E193 PolarHBondContact O-N 2.85Å; E189-E193 VanDerWaalsContact O-N 3.1Å; E193-A195 VanDerWaalsContact C-N 3.35Å; E193-A195 PolarHBondContact O-N 2.81Å; E193-S196 WeakPolarHBondContact CA-OG 3.44Å; E193-S196 PolarHBondContact O-N 2.64Å; E193-S196 VanDerWaalsContact O-N 3.14Å; E193-S196 PolarHBondContact O-OG 3.09Å; E193-D197 PolarHBondContact O-N 2.82Å
194	N	68.2	Low	69	Low	99 Å²	99	107.8 Å²	107.8	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-57.4	-45	175.8	-73.6	-14.5	0	0	0	112.1	A190 S196 D197 Y198	A190-N194 VanDerWaalsContact O-CG 3.29Å; A190-N194 PolarHBondContact O-N 2.82Å; A190-N194 VanDerWaalsContact O-N 3.17Å; A190-N194 PolarHBondContact O-ND2 3.3Å; N194-S196 VanDerWaalsContact C-N 3.33Å; N194-S196 PolarHBondContact O-N 2.89Å; N194-D197 PolarHBondContact O-N 2.88Å; N194-Y198 WeakPolarHBondContact O-CD2 3.36Å; N194-Y198 PolarHBondContact O-N 2.6Å
195	A	70.6	Confident	66.4	Low	53 Å²	53	109.3 Å²	109.3	44%	0.438	60%	0.603	S	S	.	*	H	α-helix	trans	-65.1	-35.6	178.4	0	0	0	0	0	112.7	A191 Q192 E193 L199	A191-A195 WeakPolarHBondContact O-CB 3.16Å; A191-A195 PolarHBondContact O-N 2.88Å; Q192-A195 PolarHBondContact O-N 2.97Å; E193-A195 VanDerWaalsContact C-N 3.35Å; E193-A195 PolarHBondContact O-N 2.81Å; A195-L199 PolarHBondContact O-N 2.68Å
196	S	67.1	Low	64.2	Low	65 Å²	65	118 Å²	118	46%	0.455	64%	0.636	S	S	.	*	H	α-helix	trans	-69.5	-33.6	175.5	65.9	0	0	0	0	112.9	Q192 E193 N194 L199 A200	Q192-S196 WeakPolarHBondContact O-CB 3.37Å; Q192-S196 PolarHBondContact O-N 3Å; Q192-S196 PolarHBondContact O-OG 2.92Å; E193-S196 WeakPolarHBondContact CA-OG 3.44Å; E193-S196 PolarHBondContact O-N 2.64Å; E193-S196 VanDerWaalsContact O-N 3.14Å; E193-S196 PolarHBondContact O-OG 3.09Å; N194-S196 VanDerWaalsContact C-N 3.33Å; N194-S196 PolarHBondContact O-N 2.89Å; S196-L199 PolarHBondContact O-N 3.06Å; S196-A200 WeakPolarHBondContact O-CB 3.38Å; S196-A200 PolarHBondContact O-N 3.37Å
197	D	62.6	Low	62.1	Low	116 Å²	116	118.3 Å²	118.3	62%	0.62	64%	0.64	S	S	*	*	H	α-helix	trans	-67	-35.9	176.9	-151.9	25.7	0	0	0	111.7	E193 N194 L199 A200	E193-D197 PolarHBondContact O-N 2.82Å; N194-D197 PolarHBondContact O-N 2.88Å; D197-L199 VanDerWaalsContact C-N 3.34Å; D197-L199 PolarHBondContact O-N 2.82Å; D197-A200 PolarHBondContact O-N 3.07Å
198	Y	58.3	Low	59.8	Low	184 Å²	184	122 Å²	122	72%	0.722	65%	0.651	S	S	*	*	H	α-helix	trans	-67.8	-30	171.8	-71.3	-69.8	0	0	0	113.9	N194	N194-Y198 WeakPolarHBondContact O-CD2 3.36Å; N194-Y198 PolarHBondContact O-N 2.6Å
199	L	59.5	Low	57.9	Low	158 Å²	158	121.2 Å²	121.2	83%	0.827	66%	0.661	S	S	*	*	H	α-helix	trans	-83.5	-14.8	177.4	-71.2	171.3	0	0	0	113	A195 S196 D197	A195-L199 PolarHBondContact O-N 2.68Å; S196-L199 PolarHBondContact O-N 3.06Å; D197-L199 VanDerWaalsContact C-N 3.34Å; D197-L199 PolarHBondContact O-N 2.82Å
200	A	57.2	Low	55.8	Low	68 Å²	68	119.9 Å²	119.9	56%	0.562	66%	0.662	S	S	*	*	S	Bend	trans	-89.8	-3	-179.4	0	0	0	0	0	114.2	S196 D197 P202	S196-A200 WeakPolarHBondContact O-CB 3.38Å; S196-A200 PolarHBondContact O-N 3.37Å; D197-A200 PolarHBondContact O-N 3.07Å; A200-P202 WeakPolarHBondContact O-CD 3.24Å
201	I	52.3	Low	54.4	Low	123 Å²	123	124.1 Å²	124.1	63%	0.631	68%	0.682	S	S	*	*			trans	-70.7	112.4	174.1	-54.7	174.8	0	0	0	108.7	S203	I201-S203 PolarHBondContact O-N 2.83Å
202	P	46	Very low	53	Low	101 Å²	101	126.4 Å²	126.4	66%	0.656	69%	0.692	S	S	*	*			trans	-70.8	127.3	172	0.3	17	0	0	0	107.9	A200 E204	A200-P202 WeakPolarHBondContact O-CD 3.24Å; P202-E204 PolarHBondContact O-N 3.17Å
203	S	52.7	Low	51.3	Low	128 Å²	128	125.7 Å²	125.7	90%	0.895	70%	0.697	S	S	*	*			trans	-70.2	77.1	166.6	59.7	0	0	0	0	109.4	I201	I201-S203 PolarHBondContact O-N 2.83Å
204	E	43.8	Very low	49.6	Very low	173 Å²	173	127.8 Å²	127.8	81%	0.808	71%	0.707	S	S	*	*			trans	-104.4	92.6	175.5	-146.5	-179.6	144.4	0	0	111.3	P202	P202-E204 PolarHBondContact O-N 3.17Å
205	N	39.5	Very low	48.1	Very low	124 Å²	124	136 Å²	136	66%	0.663	74%	0.743	S	S	*	*			trans	57.4	101.9	137.5	-122.5	9.8	0	0	0	121	E207	N205-E207 PolarHBondContact O-N 3.48Å
206	K	41	Very low	47	Very low	218 Å²	218	140.2 Å²	140.2	95%	0.948	76%	0.758	S	S	*	*			trans	-88	79.6	153.9	-172.1	173.6	-175.5	164	0	108.9
207	E	44.9	Very low	45.9	Very low	153 Å²	153	144.1 Å²	144.1	72%	0.715	77%	0.774	S	S	*	*			trans	-135	102.5	165.9	-144.6	-177.9	172.8	0	0	107.8	N205	N205-E207 PolarHBondContact O-N 3.48Å
208	N	34.8	Very low	45	Very low	137 Å²	137	145.7 Å²	145.7	73%	0.733	78%	0.782	S	S	*	*				173.3	117.9	117.7	-150.9	21.1	0	0	0	110.1	V210	N208-V210 PolarHBondContact O-N 3.27Å
209	S	44.3	Very low	44.2	Very low	119 Å²	119	143.4 Å²	143.4	83%	0.832	79%	0.786	S	S	*	*			trans	-73.6	114.1	164.2	-65.5	0	0	0	0	108.8
210	V	37.4	Very low	43.2	Very low	111 Å²	111	142.5 Å²	142.5	67%	0.673	78%	0.783	S	S	*	*			trans	-143.6	111.8	157.7	-177.9	0	0	0	0	108.8	N208	N208-V210 PolarHBondContact O-N 3.27Å
211	V	44.1	Very low	42.3	Very low	133 Å²	133	147.5 Å²	147.5	81%	0.806	80%	0.798	S	S	*	*			trans	-94.5	131.5	164.4	174.5	0	0	0	0	107.5
212	P	43.3	Very low	41.6	Very low	108 Å²	108	149.2 Å²	149.2	70%	0.701	81%	0.81	S	S	*	*			trans	-110.2	117.8	147.5	26.9	-12.4	0	0	0	108.2
213	V	37.9	Very low	41.2	Very low	130 Å²	130	152.9 Å²	152.9	79%	0.788	82%	0.822	S	S	*	*				57.7	120.2	83.4	-176.4	0	0	0	0	112.9
214	E	36.9	Very low	40.3	Very low	182 Å²	182	155 Å²	155	85%	0.85	82%	0.816	S	S	*	*			trans	-54	147	-178.2	-57.2	-176.4	143.4	0	0	114.8
215	E	35.5	Very low	40	Very low	272 Å²	272	153.4 Å²	153.4	100%	1.271	82%	0.816	S	S	*	*				-153.9	0	98.3	-81.2	-161.1	166.3	0	0	110

Retrieved 215 of 215 residues in 57.3 ms (Link to these results)

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