A0A087XGK9_POEFO Loading...

peptidylprolyl isomerase

AlphaFold DB (A0A3B3TPS1), UniProt , Accession A0A087XGK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 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	46.7	Very low	51.5	Low	240 Å²	240	152.8 Å²	152.8	100%	1.182	83%	0.832	S	S	*	*				0	93.5	0	-86.2	152.8	53.8	0	0	109.1
2	M	42.9	Very low	52.3	Low	163 Å²	163	148.6 Å²	148.6	80%	0.803	82%	0.822	S	S	*	*			trans	-143.1	105.3	160.8	-93.1	-174.6	103.4	0	0	106.7	F4	M2-F4 HydrophobicContact CE-CE2 4.25Å; M2-F4 HydrophobicContact CE-CZ 4.19Å
3	L	48.2	Very low	52.4	Low	159 Å²	159	149.1 Å²	149.1	83%	0.832	82%	0.821	S	S	*	*			trans	-76.7	124.2	168.8	-102.8	77.9	0	0	0	107.7
4	F	46.4	Very low	52.8	Low	173 Å²	173	150.7 Å²	150.7	76%	0.759	82%	0.817	S	S	*	*			trans	-105.2	98.9	163.7	-84.5	-84	0	0	0	108.5	M2 L6	M2-F4 HydrophobicContact CE-CE2 4.25Å; M2-F4 HydrophobicContact CE-CZ 4.19Å; F4-L6 PolarHBondContact O-N 2.87Å
5	T	55.9	Low	53.2	Low	127 Å²	127	147.9 Å²	147.9	78%	0.779	81%	0.806	S	S	*	*			trans	-79.9	104.9	168.7	14.2	0	0	0	0	108.7	C7	T5-C7 PolarHBondContact O-N 3.41Å
6	L	51.6	Low	53.3	Low	167 Å²	167	149.9 Å²	149.9	87%	0.874	81%	0.805	S	S	*	*			trans	-77.3	105.6	166.4	-104.5	90.7	0	0	0	108.8	F4 S8	F4-L6 PolarHBondContact O-N 2.87Å; L6-S8 PolarHBondContact O-N 3.11Å
7	C	51	Low	53.6	Low	113 Å²	113	148.5 Å²	148.5	76%	0.764	80%	0.803	S	S	*	*			trans	-80.4	108.8	172.3	-158.7	0	0	0	0	108.8	T5 L9	T5-C7 PolarHBondContact O-N 3.41Å; C7-L9 PolarHBondContact O-N 3.49Å
8	S	57.1	Low	54.1	Low	109 Å²	109	147.3 Å²	147.3	76%	0.762	80%	0.801	S	S	*	*			trans	-77.9	96.6	175.8	57.6	0	0	0	0	110.3	L6 L10	L6-S8 PolarHBondContact O-N 3.11Å; S8-L10 PolarHBondContact O-N 3.06Å
9	L	55.6	Low	54.1	Low	158 Å²	158	143.4 Å²	143.4	83%	0.827	80%	0.798	S	S	*	*			trans	-80.9	98.5	170.2	-73.1	161.8	0	0	0	109	C7 P11	C7-L9 PolarHBondContact O-N 3.49Å; L9-P11 WeakPolarHBondContact O-CD 2.99Å
10	L	57.9	Low	54.2	Low	156 Å²	156	139.6 Å²	139.6	82%	0.817	79%	0.793	S	S	*	*			trans	-71.4	119.3	163.6	-87	153.7	0	0	0	108	S8 S12	S8-L10 PolarHBondContact O-N 3.06Å; L10-S12 PolarHBondContact O-N 3.45Å; L10-S12 VanDerWaalsContact O-N 3.09Å
11	P	52.9	Low	54.8	Low	116 Å²	116	142.9 Å²	142.9	75%	0.753	80%	0.799	S	S	*	*			trans	-72.8	107.3	174	28.7	-29.5	0	0	0	108	L9 L13	L9-P11 WeakPolarHBondContact O-CD 2.99Å; P11-L13 PolarHBondContact O-N 3.32Å
12	S	62.1	Low	55.9	Low	102 Å²	102	139.2 Å²	139.2	71%	0.713	78%	0.783	S	S	*	*			trans	-58.9	107.4	168.1	-73.1	0	0	0	0	108.7	L10 F14	L10-S12 PolarHBondContact O-N 3.45Å; L10-S12 VanDerWaalsContact O-N 3.09Å; S12-F14 VanDerWaalsContact C-N 3.32Å; S12-F14 PolarHBondContact O-N 3.38Å
13	L	52.9	Low	57.6	Low	155 Å²	155	137 Å²	137	81%	0.812	78%	0.781	S	S	*	*			trans	-67.1	92.3	172.7	-148.5	85.5	0	0	0	107.5	P11 V15	P11-L13 PolarHBondContact O-N 3.32Å; L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.11Å
14	F	58.6	Low	59.3	Low	172 Å²	172	136.9 Å²	136.9	75%	0.754	78%	0.776	S	S	*	*			trans	-67.7	97.2	168.1	-98.1	-90.3	0	0	0	107.7	S12 F16	S12-F14 VanDerWaalsContact C-N 3.32Å; S12-F14 PolarHBondContact O-N 3.38Å; F14-F16 HydrophobicContact CB-CD2 4.45Å; F14-F16 HydrophobicContact CB-CE2 4.29Å; F14-F16 PolarHBondContact O-N 3.35Å
15	V	58.4	Low	61.3	Low	108 Å²	108	130.3 Å²	130.3	66%	0.655	75%	0.754	S	S	*	*			trans	-68	99.4	167.5	178.9	0	0	0	0	106.7	L13 V17	L13-V15 VanDerWaalsContact C-N 3.33Å; L13-V15 PolarHBondContact O-N 3.11Å; V15-V17 VanDerWaalsContact C-N 3.35Å; V15-V17 HydrophobicContact CG1-CG2 4.12Å; V15-V17 PolarHBondContact O-N 2.85Å
16	F	54	Low	63.1	Low	181 Å²	181	129.8 Å²	129.8	79%	0.794	75%	0.746	S	S	*	*			trans	-68.4	96.7	166.5	-84.5	-90.8	0	0	0	107.8	F14 T18	F14-F16 HydrophobicContact CB-CD2 4.45Å; F14-F16 HydrophobicContact CB-CE2 4.29Å; F14-F16 PolarHBondContact O-N 3.35Å; F16-T18 PolarHBondContact O-N 2.71Å
17	V	59.6	Low	65.3	Low	126 Å²	126	122.3 Å²	122.3	76%	0.764	71%	0.707	S	S	*	*			trans	-71	97.4	166.7	-180	0	0	0	0	106.7	V15 G19	V15-V17 VanDerWaalsContact C-N 3.35Å; V15-V17 HydrophobicContact CG1-CG2 4.12Å; V15-V17 PolarHBondContact O-N 2.85Å; V17-G19 PolarHBondContact O-N 3.45Å; V17-G19 VanDerWaalsContact O-N 3.1Å
18	T	62.6	Low	67.5	Low	127 Å²	127	122.7 Å²	122.7	78%	0.779	70%	0.696	S	S	*	*			trans	-67.5	106.4	166.3	52.2	0	0	0	0	107.3	F16 G20	F16-T18 PolarHBondContact O-N 2.71Å; T18-G20 VanDerWaalsContact C-N 3.35Å; T18-G20 PolarHBondContact O-N 3.03Å
19	G	53.6	Low	69.5	Low	72 Å²	72	121 Å²	121	74%	0.742	68%	0.678	S	S	*	*			trans	-63.3	93.4	173.8	0	0	0	0	0	110.3	V17 K21	V17-G19 PolarHBondContact O-N 3.45Å; V17-G19 VanDerWaalsContact O-N 3.1Å; G19-K21 PolarHBondContact O-N 3.22Å
20	G	57.1	Low	71.5	Confident	68 Å²	68	116.7 Å²	116.7	70%	0.701	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-65.5	120.9	168.3	0	0	0	0	0	108.9	T18 L22	T18-G20 VanDerWaalsContact C-N 3.35Å; T18-G20 PolarHBondContact O-N 3.03Å; G20-L22 PolarHBondContact O-N 3.42Å
21	K	65.4	Low	73.5	Confident	209 Å²	209	113 Å²	113	91%	0.909	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-57.4	127.1	168.3	-80.3	-180	174.7	179.2	0	107.8	G19	G19-K21 PolarHBondContact O-N 3.22Å
22	L	70.5	Confident	75.6	Confident	162 Å²	162	111.7 Å²	111.7	85%	0.848	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-56	139.2	170.4	-73.8	164.4	0	0	0	108.6	G20 E24	G20-L22 PolarHBondContact O-N 3.42Å; L22-E24 PolarHBondContact O-N 3.04Å
23	P	77.8	Confident	77.3	Confident	118 Å²	118	111.6 Å²	111.6	77%	0.766	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-58.3	139.1	176.3	25.5	-33	0	0	0	109.3
24	E	83.8	Confident	79.4	Confident	156 Å²	156	110.1 Å²	110.1	73%	0.729	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-60.9	142.5	173	-163.5	-173.8	139.6	0	0	109.1	L22 D26 K90	L22-E24 PolarHBondContact O-N 3.04Å; E24-D26 PolarHBondContact O-N 3.01Å; E24-K90 IonicContact OE1-NZ 2.76Å; E24-K90 PolarHBondContact OE1-NZ 2.74Å
25	A	88.6	Confident	81.1	Confident	35 Å²	35	103.1 Å²	103.1	29%	0.289	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-62.6	136.3	175.8	0	0	0	0	0	110.2	P106 S108 L109	A25-P106 HydrophobicContact CB-CG 4.03Å; A25-S108 WeakPolarHBondContact CB-OG 3.23Å; A25-L109 HydrophobicContact CB-CG 4.46Å
26	D	94.5	Very high	82.8	Confident	115 Å²	115	107.7 Å²	107.7	62%	0.615	58%	0.581	S	S	*	*			trans	-132.5	158.4	179.8	-157.7	8.8	0	0	0	111.4	E24 P106	E24-D26 PolarHBondContact O-N 3.01Å; D26-P106 WeakPolarHBondContact O-CD 3.25Å
27	V	96.9	Very high	84.8	Confident	10 Å²	10	104.3 Å²	104.3	6%	0.061	57%	0.569	C	S	.	*			trans	-87.9	130.9	179.4	-177	0	0	0	0	109	I29 G87 K90 L103 V105 L109	V27-I29 HydrophobicContact CG1-CG1 4.27Å; V27-I29 PolarHBondContact O-N 3.46Å; V27-G87 VanDerWaalsContact CG2-CA 3.46Å; V27-G87 WeakPolarHBondContact CG2-O 3.27Å; V27-K90 HydrophobicContact CG2-CB 4.17Å; V27-L103 HydrophobicContact CG1-CB 3.98Å; V27-L103 HydrophobicContact CG1-CD2 4.24Å; V27-V105 HydrophobicContact CG1-CG2 4.04Å; V27-L109 HydrophobicContact CG2-CD1 3.61Å
28	K	98.1	Very high	86.5	Confident	121 Å²	121	100.6 Å²	100.6	53%	0.526	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122	168.3	-168	-168.3	178.2	-152.8	0	108.9	E30 L103 T104	K28-E30 WeakPolarHBondContact CE-OE1 3.3Å; K28-E30 IonicContact NZ-OE1 2.74Å; K28-E30 PolarHBondContact NZ-OE1 3.08Å; K28-L103 WeakPolarHBondContact O-CA 3.37Å; K28-T104 PolarHBondContact N-O 3.15Å; K28-T104 PolarHBondContact O-N 2.99Å
29	I	98.4	Very high	87.9	Confident	75 Å²	75	102.7 Å²	102.7	39%	0.385	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.8	-179	-52	172.2	0	0	0	109.4	V27 R101 L103	V27-I29 HydrophobicContact CG1-CG1 4.27Å; V27-I29 PolarHBondContact O-N 3.46Å; I29-R101 HydrophobicContact CG2-CG 4.39Å; I29-L103 HydrophobicContact CB-CD2 4.25Å; I29-L103 HydrophobicContact CG1-CD2 3.97Å; I29-L103 HydrophobicContact CG2-CD2 3.94Å
30	E	98.5	Very high	89.8	Confident	67 Å²	67	103.1 Å²	103.1	31%	0.313	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.9	173.9	-62.9	177.1	-127.9	0	0	109	K28 I32 R101 K102	K28-E30 WeakPolarHBondContact CE-OE1 3.3Å; K28-E30 IonicContact NZ-OE1 2.74Å; K28-E30 PolarHBondContact NZ-OE1 3.08Å; E30-I32 PolarHBondContact O-N 3.13Å; E30-R101 CarbonylContact O-C 3.56Å; E30-R101 VanDerWaalsContact O-CA 3.26Å; E30-R101 WeakPolarHBondContact O-CA 3.41Å; E30-K102 HydrophobicContact CB-CB 4.22Å; E30-K102 PolarHBondContact N-O 3.24Å; E30-K102 PolarHBondContact O-N 3.16Å
31	V	98.3	Very high	91.7	Very high	78 Å²	78	105 Å²	105	47%	0.473	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.3	176.3	-177.6	0	0	0	0	108.7	K34 E99 R101	V31-K34 HydrophobicContact CG1-CB 4.29Å; V31-E99 HydrophobicContact CG1-CG 4.12Å; V31-R101 HydrophobicContact CG2-CG 4.25Å
32	I	98.1	Very high	93.2	Very high	89 Å²	89	95 Å²	95	46%	0.456	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-44.1	-178.9	-62.3	167.9	0	0	0	110.5	E30 R100 K102	E30-I32 PolarHBondContact O-N 3.13Å; I32-R100 HydrophobicContact CB-CB 4.42Å; I32-R100 HydrophobicContact CB-CG 4.35Å; I32-R100 HydrophobicContact CD1-CG 4.27Å; I32-R100 PolarHBondContact N-O 2.66Å; I32-K102 HydrophobicContact CD1-CB 3.75Å; I32-K102 HydrophobicContact CG1-CB 4.21Å
33	H	97.6	Very high	94.2	Very high	100 Å²	100	92.8 Å²	92.8	46%	0.463	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.1	-178.6	171.6	-100.5	0	0	0	109.3	G98 E99 R100	H33-G98 PolarHBondContact CE1-O 2.8Å; H33-G98 VanDerWaalsContact CE1-O 3.27Å; H33-G98 PolarHBondContact ND1-O 2.77Å; H33-E99 WeakPolarHBondContact O-CA 3.38Å; H33-E99 WeakPolarHBondContact O-CG 3.46Å; H33-R100 HydrophobicContact CB-CB 3.98Å; H33-R100 PolarHBondContact N-O 2.91Å; H33-R100 VanDerWaalsContact N-O 3.14Å; H33-R100 PolarHBondContact O-N 2.89Å
34	K	96.4	Very high	94.8	Very high	124 Å²	124	91.7 Å²	91.7	54%	0.539	44%	0.438	S	S	.	.			trans	-130.7	132.4	174.6	-169	175.7	-178.1	175.5	0	109.3	V31	V31-K34 HydrophobicContact CG1-CB 4.29Å
35	P	95.9	Very high	94.8	Very high	25 Å²	25	84.9 Å²	84.9	16%	0.162	41%	0.411	C	S	.	.			trans	-63.9	151.9	176.9	31.2	-39.7	0	0	0	110.8	M37 C96 A97	P35-M37 VanDerWaalsContact C-N 3.33Å; P35-M37 PolarHBondContact O-N 2.95Å; P35-C96 HydrophobicContact CG-CB 3.7Å; P35-A97 WeakPolarHBondContact CG-O 2.97Å
36	F	94.2	Very high	95	Very high	203 Å²	203	83.3 Å²	83.3	89%	0.89	40%	0.397	S	S	*	.	S	Bend	trans	-61.9	-41	177.7	-179.4	-105.8	0	0	0	112.1
37	M	94.6	Very high	94.9	Very high	110 Å²	110	80.1 Å²	80.1	54%	0.542	38%	0.379	S	S	.	.			trans	-110.2	138.3	175.4	-65.8	-64.1	-74.4	0	0	110.4	P35	P35-M37 VanDerWaalsContact C-N 3.33Å; P35-M37 PolarHBondContact O-N 2.95Å
38	C	95.8	Very high	94.9	Very high	49 Å²	49	79.7 Å²	79.7	33%	0.331	38%	0.376	S	S	.	.			trans	-133.1	99.7	173.1	179.4	0	0	0	0	109.6	R40 C96	C38-R40 PolarHBondContact SG-O 3.12Å; C38-R40 VanDerWaalsContact SG-O 3.36Å; C38-C96 HydrophobicContact CB-CB 3.74Å; C38-C96 WeakPolarHBondContact CB-SG 3.41Å; C38-C96 WeakPolarHBondContact SG-CB 3.04Å; C38-C96 CovalentContact SG-SG 2.02Å; C38-C96 PolarHBondContact SG-SG 2.98Å
39	H	91.7	Very high	94.8	Very high	170 Å²	170	74.9 Å²	74.9	79%	0.787	36%	0.357	S	S	*	.	S	Bend	trans	-83.9	-29.9	-178.9	-62.9	-73.2	0	0	0	112.7
40	R	94.5	Very high	94.7	Very high	82 Å²	82	71.4 Å²	71.4	31%	0.309	34%	0.339	S	S	.	.			trans	-138.1	141.5	-180	178.9	179.3	176.8	158.3	4.2	109.3	C38 D46 I134 Q135 N136	C38-R40 PolarHBondContact SG-O 3.12Å; C38-R40 VanDerWaalsContact SG-O 3.36Å; R40-D46 IonicContact CZ-OD1 2.78Å; R40-D46 IonicContact CZ-OD2 3.74Å; R40-D46 IonicContact NE-OD2 2.72Å; R40-D46 IonicContact NH2-OD1 3.87Å; R40-D46 PolarHBondContact NH2-OD1 2.9Å; R40-D46 IonicContact NH2-OD2 3.97Å; R40-D46 PolarHBondContact NH2-OD2 3.37Å; R40-I134 HydrophobicContact CG-CD1 4.3Å; R40-I134 HydrophobicContact CG-CG2 4.47Å; R40-I134 VanDerWaalsContact NE-CG2 3.25Å; R40-Q135 PolarHBondContact NH2-O 3.09Å; R40-N136 VanDerWaalsContact CZ-OD1 3.31Å; R40-N136 PolarHBondContact NH1-OD1 3.13Å; R40-N136 PolarHBondContact NH2-OD1 3.27Å
41	K	96.8	Very high	94.6	Very high	106 Å²	106	69 Å²	69	46%	0.461	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-111	145.8	170.5	-73.4	-177.6	180	178.2	0	110	N94 M95	K41-N94 HydrophobicContact CD-CB 4.38Å; K41-M95 CarbonylContact C-O 3.58Å; K41-M95 WeakPolarHBondContact CA-O 3.28Å
42	S	96.1	Very high	94.5	Very high	1 Å²	1	67.1 Å²	67.1	1%	0.007	31%	0.312	C	S	.	.			trans	-63.5	137.4	173.7	57.8	0	0	0	0	111	D46 L92 N94 M95	S42-D46 WeakPolarHBondContact CA-OD2 3.35Å; S42-L92 PolarHBondContact OG-O 2.76Å; S42-N94 PolarHBondContact O-N 3.48Å; S42-N94 PolarHBondContact OG-N 3.03Å; S42-M95 PolarHBondContact N-O 3.05Å; S42-M95 WeakPolarHBondContact OG-CB 3.49Å; S42-M95 PolarHBondContact OG-N 3.46Å; S42-M95 PolarHBondContact OG-O 2.77Å
43	K	92.4	Very high	94.3	Very high	115 Å²	115	64.8 Å²	64.8	50%	0.5	30%	0.299	S	S	.	.			trans	-133.5	165.5	170.8	63.1	-178.3	-172.7	-56.8	0	109.8	G45 D46	K43-G45 PolarHBondContact O-N 3.2Å; K43-D46 PolarHBondContact N-OD2 3.45Å; K43-D46 IonicContact NZ-OD1 2.79Å; K43-D46 PolarHBondContact NZ-OD1 2.98Å; K43-D46 IonicContact NZ-OD2 2.71Å; K43-D46 VanDerWaalsContact O-CB 3.28Å; K43-D46 WeakPolarHBondContact O-CB 3.38Å; K43-D46 PolarHBondContact O-N 2.78Å
44	Y	88.7	Confident	94.3	Very high	94 Å²	94	60 Å²	60	37%	0.369	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	140.3	173.5	-64	-32.9	0	0	0	111.4	D46 L79 G80 Q93	Y44-D46 VanDerWaalsContact C-N 3.29Å; Y44-D46 PolarHBondContact O-N 3.09Å; Y44-L79 CarbonylContact C-O 3.58Å; Y44-L79 WeakPolarHBondContact CA-O 3.27Å; Y44-L79 HydrophobicContact CD1-CD2 4.32Å; Y44-L79 HydrophobicContact CD1-CG 4.05Å; Y44-G80 VanDerWaalsContact CD1-CA 3.45Å; Y44-Q93 HydrophobicContact CD1-CG 4.06Å; Y44-Q93 HydrophobicContact CE1-CG 3.66Å; Y44-Q93 VanDerWaalsContact CZ-CD 3.42Å; Y44-Q93 PolarHBondContact OH-NE2 3.44Å
45	G	85.8	Confident	94.3	Very high	14 Å²	14	56.2 Å²	56.2	14%	0.144	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-6.8	-172.9	0	0	0	0	0	115	K43 L79 G137	K43-G45 PolarHBondContact O-N 3.2Å; G45-L79 PolarHBondContact N-O 3.21Å; G45-G137 WeakPolarHBondContact O-CA 3.48Å; G45-G137 PolarHBondContact O-N 3.3Å
46	D	91.2	Very high	94.4	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.011	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	144.5	169.2	-72.1	-13.3	0	0	0	110.5	R40 S42 K43 Y44 L48 L79 I134 Q135	R40-D46 IonicContact CZ-OD1 2.78Å; R40-D46 IonicContact CZ-OD2 3.74Å; R40-D46 IonicContact NE-OD2 2.72Å; R40-D46 IonicContact NH2-OD1 3.87Å; R40-D46 PolarHBondContact NH2-OD1 2.9Å; R40-D46 IonicContact NH2-OD2 3.97Å; R40-D46 PolarHBondContact NH2-OD2 3.37Å; S42-D46 WeakPolarHBondContact CA-OD2 3.35Å; K43-D46 PolarHBondContact N-OD2 3.45Å; K43-D46 IonicContact NZ-OD1 2.79Å; K43-D46 PolarHBondContact NZ-OD1 2.98Å; K43-D46 IonicContact NZ-OD2 2.71Å; K43-D46 VanDerWaalsContact O-CB 3.28Å; K43-D46 WeakPolarHBondContact O-CB 3.38Å; K43-D46 PolarHBondContact O-N 2.78Å; Y44-D46 VanDerWaalsContact C-N 3.29Å; Y44-D46 PolarHBondContact O-N 3.09Å; D46-L48 HydrophobicContact CB-CD2 4.19Å; D46-L79 PolarHBondContact O-N 2.87Å; D46-I134 HydrophobicContact CB-CG2 3.86Å; D46-I134 WeakPolarHBondContact OD2-CG2 3.13Å; D46-Q135 WeakPolarHBondContact CA-O 3.47Å
47	M	93.9	Very high	94.6	Very high	47 Å²	47	50.3 Å²	50.3	23%	0.232	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.4	165.1	-82.9	179.9	72.9	0	0	109.5	W76 F77 I134 Q135	M47-W76 HydrophobicContact CB-CE3 3.89Å; M47-W76 HydrophobicContact CB-CZ3 4.04Å; M47-W76 HydrophobicContact CE-CB 3.95Å; M47-W76 HydrophobicContact CE-CD2 4.13Å; M47-W76 HydrophobicContact CE-CE3 4.07Å; M47-W76 HydrophobicContact CE-CG 4.12Å; M47-F77 CarbonylContact C-O 3.55Å; M47-F77 WeakPolarHBondContact CA-O 3.04Å; M47-I134 WeakPolarHBondContact O-CA 3.5Å; M47-Q135 HydrophobicContact CB-CB 4.19Å; M47-Q135 PolarHBondContact N-O 2.86Å; M47-Q135 PolarHBondContact O-N 3.35Å
48	L	96.4	Very high	94.7	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.7	-178.7	-56	-173.1	0	0	0	110	D46 V50 W76 F77 L79 L92 L131 I134	D46-L48 HydrophobicContact CB-CD2 4.19Å; L48-V50 HydrophobicContact CB-CG1 4.2Å; L48-W76 WeakPolarHBondContact O-CA 3.1Å; L48-F77 HydrophobicContact CB-CD1 4.45Å; L48-F77 HydrophobicContact CB-CE1 3.87Å; L48-F77 HydrophobicContact CB-CZ 3.93Å; L48-F77 HydrophobicContact CD1-CE2 4.29Å; L48-F77 HydrophobicContact CD1-CZ 3.79Å; L48-F77 HydrophobicContact CG-CZ 4.3Å; L48-F77 PolarHBondContact N-O 3.19Å; L48-F77 PolarHBondContact O-N 3.46Å; L48-F77 VanDerWaalsContact O-N 3.12Å; L48-L79 HydrophobicContact CD1-CB 4.03Å; L48-L79 HydrophobicContact CD1-CD1 4.14Å; L48-L79 HydrophobicContact CD1-CD2 4.1Å; L48-L79 HydrophobicContact CD1-CG 4.31Å; L48-L79 HydrophobicContact CG-CB 4.3Å; L48-L92 HydrophobicContact CD1-CB 4.29Å; L48-L131 HydrophobicContact CB-CD1 3.82Å; L48-L131 HydrophobicContact CD1-CD1 4.43Å; L48-L131 HydrophobicContact CD2-CD1 3.99Å; L48-L131 HydrophobicContact CG-CD1 4.29Å; L48-I134 HydrophobicContact CD2-CB 4.3Å; L48-I134 HydrophobicContact CD2-CG1 3.97Å; L48-I134 HydrophobicContact CD2-CG2 3.9Å
49	L	95.6	Very high	94.7	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.11	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	116.8	169.8	-174.5	57	0	0	0	108.3	P74 W76 M132 E133	L49-P74 HydrophobicContact CD1-CB 3.56Å; L49-P74 HydrophobicContact CD1-CG 3.69Å; L49-P74 HydrophobicContact CD2-CB 4.38Å; L49-P74 HydrophobicContact CD2-CG 3.89Å; L49-P74 HydrophobicContact CG-CB 3.74Å; L49-P74 HydrophobicContact CG-CG 3.8Å; L49-W76 HydrophobicContact CB-CD2 3.83Å; L49-W76 HydrophobicContact CB-CE3 3.75Å; L49-W76 HydrophobicContact CB-CH2 3.55Å; L49-W76 HydrophobicContact CB-CZ2 3.64Å; L49-W76 HydrophobicContact CB-CZ3 3.61Å; L49-W76 HydrophobicContact CD1-CD2 3.84Å; L49-W76 HydrophobicContact CD1-CG 3.89Å; L49-W76 HydrophobicContact CD1-CZ2 4.25Å; L49-W76 HydrophobicContact CD2-CH2 4.4Å; L49-W76 HydrophobicContact CD2-CZ2 3.79Å; L49-W76 HydrophobicContact CG-CD2 4.36Å; L49-W76 HydrophobicContact CG-CH2 4.48Å; L49-W76 HydrophobicContact CG-CZ2 4.09Å; L49-W76 VanDerWaalsContact N-CE3 3.32Å; L49-W76 VanDerWaalsContact N-CZ3 3.29Å; L49-M132 HydrophobicContact CB-CB 4.24Å; L49-M132 HydrophobicContact CD2-CB 4.18Å; L49-M132 HydrophobicContact CG-CB 4.05Å; L49-M132 HydrophobicContact CG-CG 4.5Å; L49-M132 WeakPolarHBondContact O-CA 3.48Å; L49-M132 WeakPolarHBondContact O-CB 3.44Å; L49-M132 PolarHBondContact O-N 3.33Å; L49-E133 HydrophobicContact CB-CB 3.9Å; L49-E133 HydrophobicContact CD2-CB 4.28Å; L49-E133 PolarHBondContact N-O 3.07Å; L49-E133 PolarHBondContact O-N 2.9Å
50	V	96.8	Very high	94.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146	-176.1	-58.3	0	0	0	0	112.7	L48 Y52 P74 V75 F77 W88 I129 E130 L131	L48-V50 HydrophobicContact CB-CG1 4.2Å; V50-Y52 HydrophobicContact CG2-CD1 4.39Å; V50-P74 WeakPolarHBondContact O-CA 3.34Å; V50-P74 WeakPolarHBondContact O-CB 3.35Å; V50-V75 PolarHBondContact N-O 3.21Å; V50-V75 PolarHBondContact O-N 3.01Å; V50-F77 HydrophobicContact CB-CE1 4.4Å; V50-F77 HydrophobicContact CG1-CE1 3.77Å; V50-F77 HydrophobicContact CG2-CD1 4.06Å; V50-F77 HydrophobicContact CG2-CE1 3.68Å; V50-W88 HydrophobicContact CG2-CH2 4.31Å; V50-W88 HydrophobicContact CG2-CZ3 3.86Å; V50-I129 HydrophobicContact CB-CG2 3.93Å; V50-I129 HydrophobicContact CG1-CG2 4.02Å; V50-I129 HydrophobicContact CG2-CG2 4.43Å; V50-E130 VanDerWaalsContact CA-O 3.28Å; V50-E130 WeakPolarHBondContact CA-O 3.4Å; V50-L131 HydrophobicContact CG1-CD1 3.91Å
51	H	95.8	Very high	95	Very high	18 Å²	18	46.1 Å²	46.1	8%	0.083	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	143.3	152.9	-86.8	-58.5	0	0	0	109.7	S66 R67 T72 I129 E130	H51-S66 WeakPolarHBondContact CA-OG 3.47Å; H51-S66 PolarHBondContact ND1-OG 3.42Å; H51-R67 PolarHBondContact CD2-NH1 3.05Å; H51-T72 PolarHBondContact CE1-O 3.07Å; H51-I129 CarbonylContact O-C 3.43Å; H51-I129 WeakPolarHBondContact O-CA 3.38Å; H51-E130 HydrophobicContact CB-CB 4.47Å; H51-E130 PolarHBondContact N-O 2.85Å; H51-E130 PolarHBondContact O-N 3.06Å
52	Y	95.5	Very high	94.9	Very high	38 Å²	38	44.1 Å²	44.1	15%	0.149	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.8	175.1	70.5	-81.5	0	0	0	113.8	V50 H64 S65 S66 V75 W88 F127 D128	V50-Y52 HydrophobicContact CG2-CD1 4.39Å; Y52-H64 HydrophobicContact CE2-CB 4.33Å; Y52-H64 AromaticContact CE2-ND1 3.31Å; Y52-H64 VanDerWaalsContact CE2-ND1 3.31Å; Y52-H64 WeakPolarHBondContact CE2-ND1 3.27Å; Y52-H64 AromaticContact CZ-CE1 3.74Å; Y52-H64 AromaticContact CZ-ND1 3.36Å; Y52-H64 PolarHBondContact OH-CE1 3.22Å; Y52-H64 PolarHBondContact OH-ND1 3.14Å; Y52-S65 WeakPolarHBondContact O-CA 3.39Å; Y52-S66 PolarHBondContact N-OG 3.03Å; Y52-S66 PolarHBondContact O-N 3.4Å; Y52-S66 PolarHBondContact O-OG 2.99Å; Y52-V75 HydrophobicContact CE1-CG2 4.34Å; Y52-W88 AromaticContact CD1-CH2 3.66Å; Y52-W88 HydrophobicContact CD1-CH2 3.66Å; Y52-W88 HydrophobicContact CD1-CZ2 4.48Å; Y52-W88 AromaticContact CD2-CH2 3.92Å; Y52-W88 HydrophobicContact CD2-CH2 3.92Å; Y52-W88 AromaticContact CD2-CZ2 3.93Å; Y52-W88 HydrophobicContact CD2-CZ2 3.93Å; Y52-W88 HydrophobicContact CE1-CH2 4.11Å; Y52-W88 HydrophobicContact CE2-CH2 4.34Å; Y52-W88 HydrophobicContact CE2-CZ2 4.42Å; Y52-W88 AromaticContact CG-CH2 3.53Å; Y52-W88 HydrophobicContact CG-CH2 3.53Å; Y52-W88 AromaticContact CG-CZ2 3.94Å; Y52-W88 HydrophobicContact CG-CZ2 3.94Å; Y52-F127 HydrophobicContact CD2-CD1 4.33Å; Y52-F127 HydrophobicContact CD2-CE1 4.48Å; Y52-D128 CarbonylContact C-O 3.54Å; Y52-D128 WeakPolarHBondContact CA-O 3.4Å
53	E	95.5	Very high	94.7	Very high	39 Å²	39	45.4 Å²	45.4	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.3	164	-57.9	-167.9	138.1	0	0	109.1	F55 M62 F127 D128	E53-F55 HydrophobicContact CB-CE2 3.51Å; E53-F55 HydrophobicContact CB-CZ 3.77Å; E53-M62 HydrophobicContact CB-CE 4.25Å; E53-M62 HydrophobicContact CG-CE 4.32Å; E53-F127 WeakPolarHBondContact O-CA 3.3Å; E53-D128 PolarHBondContact N-O 2.91Å; E53-D128 PolarHBondContact O-N 2.87Å
54	G	96.3	Very high	94.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.5	-177.8	0	0	0	0	0	112	M62 F63 H64	G54-M62 CarbonylContact O-C 3.55Å; G54-M62 VanDerWaalsContact O-CA 3.31Å; G54-M62 WeakPolarHBondContact O-CA 3.01Å; G54-M62 WeakPolarHBondContact O-CG 3.49Å; G54-F63 WeakPolarHBondContact O-CD1 3.44Å; G54-F63 PolarHBondContact O-N 2.88Å; G54-H64 PolarHBondContact N-O 3.4Å; G54-H64 PolarHBondContact O-N 3.11Å
55	F	97.6	Very high	94.8	Very high	44 Å²	44	40.3 Å²	40.3	19%	0.193	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.6	-175.3	-51.1	-97.5	0	0	0	112	E53 T61 M62 F63 L125 I126	E53-F55 HydrophobicContact CB-CE2 3.51Å; E53-F55 HydrophobicContact CB-CZ 3.77Å; F55-T61 CarbonylContact C-O 3.57Å; F55-T61 VanDerWaalsContact CA-O 3.31Å; F55-T61 WeakPolarHBondContact CA-O 3.46Å; F55-M62 HydrophobicContact CD1-CB 3.7Å; F55-M62 HydrophobicContact CD1-CE 4.49Å; F55-M62 HydrophobicContact CD1-CG 4.21Å; F55-M62 HydrophobicContact CE1-CB 3.71Å; F55-M62 HydrophobicContact CE1-CE 3.42Å; F55-M62 VanDerWaalsContact CE1-CE 3.42Å; F55-M62 HydrophobicContact CE1-CG 3.98Å; F55-M62 HydrophobicContact CZ-CE 3.45Å; F55-M62 VanDerWaalsContact CZ-CE 3.45Å; F55-M62 HydrophobicContact CZ-CG 4.46Å; F55-F63 VanDerWaalsContact C-CE1 3.49Å; F55-L125 WeakPolarHBondContact O-CA 3.5Å; F55-I126 HydrophobicContact CB-CB 4.39Å; F55-I126 PolarHBondContact N-O 3.47Å; F55-I126 PolarHBondContact O-N 3.4Å
56	L	98.1	Very high	94.9	Very high	8 Å²	8	40 Å²	40	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	126.9	167.4	-61.4	177.5	0	0	0	109.3	S58 G60 T61 F63 I119 P120 L125	L56-S58 PolarHBondContact O-N 2.97Å; L56-G60 VanDerWaalsContact O-CA 3.24Å; L56-G60 WeakPolarHBondContact O-CA 3.49Å; L56-G60 PolarHBondContact O-N 3.28Å; L56-T61 PolarHBondContact N-O 3.25Å; L56-F63 HydrophobicContact CD2-CD1 4.15Å; L56-F63 HydrophobicContact CG-CD1 4.28Å; L56-I119 HydrophobicContact CD2-CG2 4.07Å; L56-P120 HydrophobicContact CD1-CG 4.45Å; L56-L125 HydrophobicContact CD2-CD2 3.82Å
57	E	97.9	Very high	94.6	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.453	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-37.1	177.9	-177.8	-176.5	-114.7	0	0	111.8	N59 T104 T124 I126	E57-N59 VanDerWaalsContact C-N 3.31Å; E57-N59 PolarHBondContact O-N 3.08Å; E57-T104 WeakPolarHBondContact OE1-CG2 3.45Å; E57-T124 HydrophobicContact CB-CG2 4.04Å; E57-T124 WeakPolarHBondContact CB-O 3.42Å; E57-T124 HydrophobicContact CG-CG2 4.38Å; E57-T124 PolarHBondContact N-O 3.36Å; E57-T124 VanDerWaalsContact OE2-CB 3.23Å; E57-T124 WeakPolarHBondContact OE2-CB 3.23Å; E57-T124 WeakPolarHBondContact OE2-CG2 3.5Å; E57-T124 PolarHBondContact OE2-OG1 3.16Å; E57-I126 HydrophobicContact CB-CD1 4.15Å; E57-I126 HydrophobicContact CB-CG1 4.15Å; E57-I126 HydrophobicContact CG-CD1 4.12Å; E57-I126 HydrophobicContact CG-CG1 4.46Å
58	S	96.9	Very high	93.5	Very high	100 Å²	100	48 Å²	48	70%	0.699	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.8	-171.9	57.3	0	0	0	0	114.6	L56	L56-S58 PolarHBondContact O-N 2.97Å
59	N	95.4	Very high	91.5	Very high	102 Å²	102	56.2 Å²	56.2	55%	0.545	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	2.3	-174.6	66	15.4	0	0	0	114.1	E57 T61	E57-N59 VanDerWaalsContact C-N 3.31Å; E57-N59 PolarHBondContact O-N 3.08Å; N59-T61 PolarHBondContact ND2-OG1 2.81Å; N59-T61 PolarHBondContact O-N 3.09Å; N59-T61 WeakPolarHBondContact OD1-CB 3.44Å; N59-T61 PolarHBondContact OD1-N 2.66Å; N59-T61 PolarHBondContact OD1-OG1 3.3Å
60	G	96.3	Very high	89.6	Confident	48 Å²	48	59.9 Å²	59.9	50%	0.495	33%	0.333	S	S	.	.			trans	69.7	9.1	-178.8	0	0	0	0	0	115	L56 M62	L56-G60 VanDerWaalsContact O-CA 3.24Å; L56-G60 WeakPolarHBondContact O-CA 3.49Å; L56-G60 PolarHBondContact O-N 3.28Å; G60-M62 PolarHBondContact O-N 2.82Å
61	T	95.8	Very high	87.6	Confident	73 Å²	73	65.2 Å²	65.2	45%	0.448	36%	0.361	S	S	.	.			trans	-68.9	123.8	-178.5	-58.4	0	0	0	0	110	F55 L56 N59 F63	F55-T61 CarbonylContact C-O 3.57Å; F55-T61 VanDerWaalsContact CA-O 3.31Å; F55-T61 WeakPolarHBondContact CA-O 3.46Å; L56-T61 PolarHBondContact N-O 3.25Å; N59-T61 PolarHBondContact ND2-OG1 2.81Å; N59-T61 PolarHBondContact O-N 3.09Å; N59-T61 WeakPolarHBondContact OD1-CB 3.44Å; N59-T61 PolarHBondContact OD1-N 2.66Å; N59-T61 PolarHBondContact OD1-OG1 3.3Å; T61-F63 PolarHBondContact O-N 3.15Å
62	M	94.9	Very high	86.4	Confident	63 Å²	63	68.5 Å²	68.5	31%	0.31	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	123.5	172.1	-172.8	-173.5	-75	0	0	109.6	E53 G54 F55 G60 K68	E53-M62 HydrophobicContact CB-CE 4.25Å; E53-M62 HydrophobicContact CG-CE 4.32Å; G54-M62 CarbonylContact O-C 3.55Å; G54-M62 VanDerWaalsContact O-CA 3.31Å; G54-M62 WeakPolarHBondContact O-CA 3.01Å; G54-M62 WeakPolarHBondContact O-CG 3.49Å; F55-M62 HydrophobicContact CD1-CB 3.7Å; F55-M62 HydrophobicContact CD1-CE 4.49Å; F55-M62 HydrophobicContact CD1-CG 4.21Å; F55-M62 HydrophobicContact CE1-CB 3.71Å; F55-M62 HydrophobicContact CE1-CE 3.42Å; F55-M62 VanDerWaalsContact CE1-CE 3.42Å; F55-M62 HydrophobicContact CE1-CG 3.98Å; F55-M62 HydrophobicContact CZ-CE 3.45Å; F55-M62 VanDerWaalsContact CZ-CE 3.45Å; F55-M62 HydrophobicContact CZ-CG 4.46Å; G60-M62 PolarHBondContact O-N 2.82Å; M62-K68 HydrophobicContact SD-CD 4.44Å
63	F	92.9	Very high	85.8	Confident	28 Å²	28	71.4 Å²	71.4	12%	0.123	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-24.7	176.8	62.2	-99	0	0	0	112.5	G54 F55 L56 T61 K118 I119 L125 F127	G54-F63 WeakPolarHBondContact O-CD1 3.44Å; G54-F63 PolarHBondContact O-N 2.88Å; F55-F63 VanDerWaalsContact C-CE1 3.49Å; L56-F63 HydrophobicContact CD2-CD1 4.15Å; L56-F63 HydrophobicContact CG-CD1 4.28Å; T61-F63 PolarHBondContact O-N 3.15Å; F63-K118 HydrophobicContact CB-CB 4.36Å; F63-I119 HydrophobicContact CB-CG1 4.26Å; F63-I119 HydrophobicContact CD1-CD1 4.45Å; F63-I119 HydrophobicContact CD1-CG1 4.23Å; F63-I119 HydrophobicContact CD2-CD1 3.66Å; F63-I119 HydrophobicContact CD2-CG1 3.93Å; F63-I119 HydrophobicContact CE1-CD1 4.42Å; F63-I119 HydrophobicContact CE2-CD1 3.66Å; F63-I119 HydrophobicContact CE2-CG1 4.36Å; F63-I119 HydrophobicContact CG-CD1 4.1Å; F63-I119 HydrophobicContact CG-CG1 3.88Å; F63-I119 HydrophobicContact CZ-CD1 4.05Å; F63-L125 HydrophobicContact CE1-CB 4.46Å; F63-L125 HydrophobicContact CE1-CD1 4.39Å; F63-L125 HydrophobicContact CE1-CD2 3.85Å; F63-L125 HydrophobicContact CE1-CG 4.46Å; F63-L125 HydrophobicContact CZ-CD1 4.05Å; F63-L125 HydrophobicContact CZ-CD2 4.33Å; F63-F127 HydrophobicContact CE2-CE1 4.23Å; F63-F127 HydrophobicContact CE2-CZ 4.35Å; F63-F127 AromaticContact CZ-CE1 3.75Å; F63-F127 HydrophobicContact CZ-CE1 3.75Å; F63-F127 AromaticContact CZ-CZ 3.7Å; F63-F127 HydrophobicContact CZ-CZ 3.7Å
64	H	90.1	Very high	85.5	Confident	91 Å²	91	71.3 Å²	71.3	42%	0.421	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	150.7	179.8	-158.3	-81.2	0	0	0	112.2	Y52 G54	Y52-H64 HydrophobicContact CE2-CB 4.33Å; Y52-H64 AromaticContact CE2-ND1 3.31Å; Y52-H64 VanDerWaalsContact CE2-ND1 3.31Å; Y52-H64 WeakPolarHBondContact CE2-ND1 3.27Å; Y52-H64 AromaticContact CZ-CE1 3.74Å; Y52-H64 AromaticContact CZ-ND1 3.36Å; Y52-H64 PolarHBondContact OH-CE1 3.22Å; Y52-H64 PolarHBondContact OH-ND1 3.14Å; G54-H64 PolarHBondContact N-O 3.4Å; G54-H64 PolarHBondContact O-N 3.11Å
65	S	91.6	Very high	85.2	Confident	12 Å²	12	74.5 Å²	74.5	8%	0.084	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	134.7	171.4	173	0	0	0	0	109.8	Y52 R67 K68	Y52-S65 WeakPolarHBondContact O-CA 3.39Å; S65-R67 PolarHBondContact O-N 2.8Å; S65-R67 PolarHBondContact OG-N 3.13Å; S65-K68 PolarHBondContact OG-N 3.07Å
66	S	87.7	Confident	85	Confident	6 Å²	6	76.3 Å²	76.3	4%	0.042	43%	0.428	C	S	.	.	S	Bend	trans	-72.5	-7	169.7	60.6	0	0	0	0	113.5	H51 Y52 T72	H51-S66 WeakPolarHBondContact CA-OG 3.47Å; H51-S66 PolarHBondContact ND1-OG 3.42Å; Y52-S66 PolarHBondContact N-OG 3.03Å; Y52-S66 PolarHBondContact O-N 3.4Å; Y52-S66 PolarHBondContact O-OG 2.99Å; S66-T72 CarbonylContact O-C 3.48Å
67	R	84.9	Confident	84.7	Confident	99 Å²	99	76.2 Å²	76.2	37%	0.374	43%	0.427	S	S	.	.	S	Bend	trans	-110.2	-13	-175.9	-58.8	-177	-169.7	-92.1	9.1	113	H51 S65 E130	H51-R67 PolarHBondContact CD2-NH1 3.05Å; S65-R67 PolarHBondContact O-N 2.8Å; S65-R67 PolarHBondContact OG-N 3.13Å; R67-E130 IonicContact CZ-OE2 3.76Å; R67-E130 IonicContact NH2-OE2 2.6Å; R67-E130 PolarHBondContact NH2-OE2 2.78Å
68	K	71.4	Confident	84.4	Confident	119 Å²	119	72.1 Å²	72.1	52%	0.517	41%	0.409	S	S	.	.	S	Bend	trans	-124.7	115.7	-177.1	-67.5	-175.9	177.4	175.6	0	109.2	M62 S65	M62-K68 HydrophobicContact SD-CD 4.44Å; S65-K68 PolarHBondContact OG-N 3.07Å
69	H	54.3	Low	84.1	Confident	174 Å²	174	67.4 Å²	67.4	81%	0.806	38%	0.376	S	S	*	.	S	Bend	trans	100.9	129	177	-58.5	-65.3	0	0	0	116.3	D71	H69-D71 PolarHBondContact O-N 2.87Å
70	G	56.7	Low	83.7	Confident	98 Å²	98	63 Å²	63	100%	1.01	36%	0.355	S	S	*	.	S	Bend	trans	65.3	-66.7	159.6	0	0	0	0	0	116
71	D	54.6	Low	83	Confident	112 Å²	112	63.9 Å²	63.9	60%	0.599	35%	0.348	S	S	*	.			trans	-127.4	99.7	-177.2	-152.6	-15.3	0	0	0	107.9	H69 N73	H69-D71 PolarHBondContact O-N 2.87Å; D71-N73 PolarHBondContact O-N 3.04Å; D71-N73 PolarHBondContact OD1-ND2 3.1Å
72	T	71.1	Confident	82.5	Confident	88 Å²	88	66.1 Å²	66.1	54%	0.54	35%	0.348	S	S	.	.			trans	-82.8	15.8	-176.2	51.7	0	0	0	0	113	H51 S66	H51-T72 PolarHBondContact CE1-O 3.07Å; S66-T72 CarbonylContact O-C 3.48Å
73	N	82.4	Confident	81.9	Confident	99 Å²	99	68.2 Å²	68.2	53%	0.529	36%	0.357	S	S	.	.			trans	-83.6	144.4	-175.2	-70.3	-42.8	0	0	0	110.7	D71	D71-N73 PolarHBondContact O-N 3.04Å; D71-N73 PolarHBondContact OD1-ND2 3.1Å
74	P	88.7	Confident	81.8	Confident	37 Å²	37	69 Å²	69	24%	0.24	36%	0.364	C	S	.	.			trans	-62.1	154.8	169.7	27.9	-32.8	0	0	0	110.4	L49 V50 M132	L49-P74 HydrophobicContact CD1-CB 3.56Å; L49-P74 HydrophobicContact CD1-CG 3.69Å; L49-P74 HydrophobicContact CD2-CB 4.38Å; L49-P74 HydrophobicContact CD2-CG 3.89Å; L49-P74 HydrophobicContact CG-CB 3.74Å; L49-P74 HydrophobicContact CG-CG 3.8Å; V50-P74 WeakPolarHBondContact O-CA 3.34Å; V50-P74 WeakPolarHBondContact O-CB 3.35Å; P74-M132 HydrophobicContact CB-CG 4.21Å
75	V	90.9	Very high	82	Confident	67 Å²	67	65.6 Å²	65.6	41%	0.406	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136	-172.9	-176.6	0	0	0	0	109.9	V50 Y52	V50-V75 PolarHBondContact N-O 3.21Å; V50-V75 PolarHBondContact O-N 3.01Å; Y52-V75 HydrophobicContact CE1-CG2 4.34Å
76	W	92.4	Very high	82.1	Confident	82 Å²	82	69.5 Å²	69.5	31%	0.311	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141	171.3	-73.7	105.6	0	0	0	110.9	M47 L48 L49 E133 Q135	M47-W76 HydrophobicContact CB-CE3 3.89Å; M47-W76 HydrophobicContact CB-CZ3 4.04Å; M47-W76 HydrophobicContact CE-CB 3.95Å; M47-W76 HydrophobicContact CE-CD2 4.13Å; M47-W76 HydrophobicContact CE-CE3 4.07Å; M47-W76 HydrophobicContact CE-CG 4.12Å; L48-W76 WeakPolarHBondContact O-CA 3.1Å; L49-W76 HydrophobicContact CB-CD2 3.83Å; L49-W76 HydrophobicContact CB-CE3 3.75Å; L49-W76 HydrophobicContact CB-CH2 3.55Å; L49-W76 HydrophobicContact CB-CZ2 3.64Å; L49-W76 HydrophobicContact CB-CZ3 3.61Å; L49-W76 HydrophobicContact CD1-CD2 3.84Å; L49-W76 HydrophobicContact CD1-CG 3.89Å; L49-W76 HydrophobicContact CD1-CZ2 4.25Å; L49-W76 HydrophobicContact CD2-CH2 4.4Å; L49-W76 HydrophobicContact CD2-CZ2 3.79Å; L49-W76 HydrophobicContact CG-CD2 4.36Å; L49-W76 HydrophobicContact CG-CH2 4.48Å; L49-W76 HydrophobicContact CG-CZ2 4.09Å; L49-W76 VanDerWaalsContact N-CE3 3.32Å; L49-W76 VanDerWaalsContact N-CZ3 3.29Å; W76-E133 HydrophobicContact CH2-CB 3.91Å; W76-E133 HydrophobicContact CH2-CG 4.03Å; W76-Q135 HydrophobicContact CH2-CB 4.12Å; W76-Q135 HydrophobicContact CH2-CG 3.57Å; W76-Q135 HydrophobicContact CZ2-CG 4.43Å; W76-Q135 HydrophobicContact CZ3-CB 4.06Å; W76-Q135 HydrophobicContact CZ3-CG 4.04Å
77	F	91.8	Very high	82.5	Confident	5 Å²	5	69.2 Å²	69.2	2%	0.022	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	161.3	163.6	72.3	-82.3	0	0	0	109.9	M47 L48 V50 L79 V84 W88 L92	M47-F77 CarbonylContact C-O 3.55Å; M47-F77 WeakPolarHBondContact CA-O 3.04Å; L48-F77 HydrophobicContact CB-CD1 4.45Å; L48-F77 HydrophobicContact CB-CE1 3.87Å; L48-F77 HydrophobicContact CB-CZ 3.93Å; L48-F77 HydrophobicContact CD1-CE2 4.29Å; L48-F77 HydrophobicContact CD1-CZ 3.79Å; L48-F77 HydrophobicContact CG-CZ 4.3Å; L48-F77 PolarHBondContact N-O 3.19Å; L48-F77 PolarHBondContact O-N 3.46Å; L48-F77 VanDerWaalsContact O-N 3.12Å; V50-F77 HydrophobicContact CB-CE1 4.4Å; V50-F77 HydrophobicContact CG1-CE1 3.77Å; V50-F77 HydrophobicContact CG2-CD1 4.06Å; V50-F77 HydrophobicContact CG2-CE1 3.68Å; F77-L79 HydrophobicContact CE2-CB 4.41Å; F77-L79 HydrophobicContact CE2-CD1 4.05Å; F77-V84 HydrophobicContact CB-CG1 3.8Å; F77-V84 HydrophobicContact CD2-CB 4.49Å; F77-V84 HydrophobicContact CD2-CG1 3.99Å; F77-V84 HydrophobicContact CD2-CG2 3.63Å; F77-V84 HydrophobicContact CE2-CG2 3.85Å; F77-V84 HydrophobicContact CG-CG1 3.87Å; F77-V84 HydrophobicContact CG-CG2 4.32Å; F77-W88 HydrophobicContact CD1-CE3 4.41Å; F77-W88 HydrophobicContact CD1-CZ3 4.23Å; F77-W88 AromaticContact CE1-CE3 3.88Å; F77-W88 HydrophobicContact CE1-CE3 3.88Å; F77-W88 AromaticContact CE1-CZ3 3.86Å; F77-W88 HydrophobicContact CE1-CZ3 3.86Å; F77-W88 HydrophobicContact CE2-CE3 4.45Å; F77-W88 AromaticContact CZ-CE3 3.92Å; F77-W88 HydrophobicContact CZ-CE3 3.92Å; F77-W88 HydrophobicContact CZ-CZ3 4.37Å; F77-L92 HydrophobicContact CE1-CD1 4.22Å; F77-L92 HydrophobicContact CE2-CD1 4.41Å; F77-L92 HydrophobicContact CZ-CD1 3.52Å
78	T	90.9	Very high	83.1	Confident	12 Å²	12	65.2 Å²	65.2	7%	0.074	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	124.2	177.7	-48.9	0	0	0	0	110.2	I81 E83	T78-I81 HydrophobicContact CG2-CD1 3.86Å; T78-I81 HydrophobicContact CG2-CG1 4.01Å; T78-I81 HydrophobicContact CG2-CG2 4.25Å; T78-E83 WeakPolarHBondContact CA-OE2 3.32Å; T78-E83 VanDerWaalsContact CB-OE2 3.23Å; T78-E83 WeakPolarHBondContact CB-OE2 3.49Å; T78-E83 PolarHBondContact N-OE2 2.96Å; T78-E83 PolarHBondContact OG1-OE2 3.22Å; T78-E83 VanDerWaalsContact OG1-OE2 3.13Å
79	L	91.8	Very high	84.2	Confident	0 Å²	0	60 Å²	60	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	130.9	-176.5	-174.3	69.4	0	0	0	111.4	Y44 G45 D46 L48 F77 L92 Q93	Y44-L79 CarbonylContact C-O 3.58Å; Y44-L79 WeakPolarHBondContact CA-O 3.27Å; Y44-L79 HydrophobicContact CD1-CD2 4.32Å; Y44-L79 HydrophobicContact CD1-CG 4.05Å; G45-L79 PolarHBondContact N-O 3.21Å; D46-L79 PolarHBondContact O-N 2.87Å; L48-L79 HydrophobicContact CD1-CB 4.03Å; L48-L79 HydrophobicContact CD1-CD1 4.14Å; L48-L79 HydrophobicContact CD1-CD2 4.1Å; L48-L79 HydrophobicContact CD1-CG 4.31Å; L48-L79 HydrophobicContact CG-CB 4.3Å; F77-L79 HydrophobicContact CE2-CB 4.41Å; F77-L79 HydrophobicContact CE2-CD1 4.05Å; L79-L92 HydrophobicContact CD1-CB 3.91Å; L79-Q93 HydrophobicContact CD2-CG 3.93Å
80	G	85.8	Confident	86.1	Confident	10 Å²	10	54.9 Å²	54.9	10%	0.103	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	89	6.9	168.7	0	0	0	0	0	115.8	Y44 D89	Y44-G80 VanDerWaalsContact CD1-CA 3.45Å; G80-D89 VanDerWaalsContact CA-CG 3.5Å; G80-D89 VanDerWaalsContact N-CG 3.34Å; G80-D89 PolarHBondContact N-OD1 3Å
81	I	83	Confident	88	Confident	67 Å²	67	50.2 Å²	50.2	34%	0.344	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	13.4	177.3	67.3	162	0	0	0	113	T78 E83	T78-I81 HydrophobicContact CG2-CD1 3.86Å; T78-I81 HydrophobicContact CG2-CG1 4.01Å; T78-I81 HydrophobicContact CG2-CG2 4.25Å; I81-E83 HydrophobicContact CD1-CB 4.17Å; I81-E83 HydrophobicContact CG1-CB 3.93Å; I81-E83 PolarHBondContact O-N 3.2Å
82	R	84.4	Confident	90.1	Very high	119 Å²	119	45 Å²	45	45%	0.449	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	26.8	-176.2	-55.4	-178.8	175.5	174	2.8	114.3	V84 D89 E210 L211	R82-V84 PolarHBondContact O-N 3.42Å; R82-D89 WeakPolarHBondContact CA-OD2 3.28Å; R82-D89 PolarHBondContact N-OD2 2.96Å; R82-E210 PolarHBondContact NH1-O 3.31Å; R82-E210 PolarHBondContact NH2-O 2.8Å; R82-L211 PolarHBondContact NH2-OXT 3.32Å
83	E	83	Confident	91.2	Very high	108 Å²	108	43.2 Å²	43.2	51%	0.505	21%	0.21	S	C	.	.	S	Bend	trans	-64.5	-28.6	170.2	-174.6	177.7	175.2	0	0	111.1	T78 I81	T78-E83 WeakPolarHBondContact CA-OE2 3.32Å; T78-E83 VanDerWaalsContact CB-OE2 3.23Å; T78-E83 WeakPolarHBondContact CB-OE2 3.49Å; T78-E83 PolarHBondContact N-OE2 2.96Å; T78-E83 PolarHBondContact OG1-OE2 3.22Å; T78-E83 VanDerWaalsContact OG1-OE2 3.13Å; I81-E83 HydrophobicContact CD1-CB 4.17Å; I81-E83 HydrophobicContact CG1-CB 3.93Å; I81-E83 PolarHBondContact O-N 3.2Å
84	V	89.8	Confident	91.9	Very high	45 Å²	45	43.1 Å²	43.1	27%	0.273	21%	0.209	S	C	.	.	S	Bend	trans	-122.9	-166.3	176.6	-64	0	0	0	0	110.8	F77 R82 W88	F77-V84 HydrophobicContact CB-CG1 3.8Å; F77-V84 HydrophobicContact CD2-CB 4.49Å; F77-V84 HydrophobicContact CD2-CG1 3.99Å; F77-V84 HydrophobicContact CD2-CG2 3.63Å; F77-V84 HydrophobicContact CE2-CG2 3.85Å; F77-V84 HydrophobicContact CG-CG1 3.87Å; F77-V84 HydrophobicContact CG-CG2 4.32Å; R82-V84 PolarHBondContact O-N 3.42Å; V84-W88 HydrophobicContact CB-CE3 4.41Å; V84-W88 HydrophobicContact CG2-CB 3.69Å; V84-W88 HydrophobicContact CG2-CD2 4.46Å; V84-W88 HydrophobicContact CG2-CE3 4.15Å; V84-W88 HydrophobicContact CG2-CG 4.33Å
85	L	94.1	Very high	92.4	Very high	18 Å²	18	41.4 Å²	41.4	9%	0.094	20%	0.198	C	C	.	.			trans	-60.4	139.1	178.4	-63.7	-178.6	0	0	0	111.7	G87 W88 D89 A110 Y111 L125 F127	L85-G87 PolarHBondContact O-N 2.71Å; L85-W88 HydrophobicContact CB-CG 4.4Å; L85-W88 WeakPolarHBondContact O-CA 3.44Å; L85-W88 WeakPolarHBondContact O-CB 3.36Å; L85-W88 PolarHBondContact O-N 2.79Å; L85-D89 PolarHBondContact O-N 2.91Å; L85-A110 HydrophobicContact CD1-CB 4.29Å; L85-Y111 HydrophobicContact CD1-CE2 4.07Å; L85-Y111 HydrophobicContact CD2-CD1 4.08Å; L85-Y111 HydrophobicContact CD2-CD2 4.4Å; L85-Y111 HydrophobicContact CD2-CE1 3.62Å; L85-Y111 HydrophobicContact CD2-CE2 3.98Å; L85-Y111 HydrophobicContact CD2-CG 4.46Å; L85-L125 HydrophobicContact CD1-CD1 4.14Å; L85-F127 HydrophobicContact CD1-CE2 3.67Å; L85-F127 HydrophobicContact CD1-CZ 3.57Å
86	K	94.1	Very high	92.7	Very high	95 Å²	95	38.3 Å²	38.3	41%	0.413	18%	0.179	S	C	.	.	H	α-helix	trans	-51.6	-33.3	173.2	-64.5	-175.1	179.6	-171.9	0	112.3	W88 D89 K90 L109	K86-W88 VanDerWaalsContact C-N 3.34Å; K86-D89 PolarHBondContact O-N 3.01Å; K86-K90 PolarHBondContact O-N 2.99Å; K86-K90 VanDerWaalsContact O-N 3.16Å; K86-L109 HydrophobicContact CB-CB 4.47Å; K86-L109 HydrophobicContact CB-CD2 4.12Å; K86-L109 PolarHBondContact N-O 3.31Å
87	G	96.5	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.6	-29	175.9	0	0	0	0	0	114.6	V27 L85 G91 L109	V27-G87 VanDerWaalsContact CG2-CA 3.46Å; V27-G87 WeakPolarHBondContact CG2-O 3.27Å; L85-G87 PolarHBondContact O-N 2.71Å; G87-G91 WeakPolarHBondContact O-CA 3.25Å; G87-G91 PolarHBondContact O-N 3.04Å; G87-L109 PolarHBondContact N-O 3.09Å
88	W	97.4	Very high	93.2	Very high	14 Å²	14	37.6 Å²	37.6	5%	0.053	20%	0.195	C	C	.	.	H	α-helix	trans	-72.2	-43	173.3	-78.4	39	0	0	0	110.9	V50 Y52 F77 V84 L85 K86 K90 G91 L92 F127 I129	V50-W88 HydrophobicContact CG2-CH2 4.31Å; V50-W88 HydrophobicContact CG2-CZ3 3.86Å; Y52-W88 AromaticContact CD1-CH2 3.66Å; Y52-W88 HydrophobicContact CD1-CH2 3.66Å; Y52-W88 HydrophobicContact CD1-CZ2 4.48Å; Y52-W88 AromaticContact CD2-CH2 3.92Å; Y52-W88 HydrophobicContact CD2-CH2 3.92Å; Y52-W88 AromaticContact CD2-CZ2 3.93Å; Y52-W88 HydrophobicContact CD2-CZ2 3.93Å; Y52-W88 HydrophobicContact CE1-CH2 4.11Å; Y52-W88 HydrophobicContact CE2-CH2 4.34Å; Y52-W88 HydrophobicContact CE2-CZ2 4.42Å; Y52-W88 AromaticContact CG-CH2 3.53Å; Y52-W88 HydrophobicContact CG-CH2 3.53Å; Y52-W88 AromaticContact CG-CZ2 3.94Å; Y52-W88 HydrophobicContact CG-CZ2 3.94Å; F77-W88 HydrophobicContact CD1-CE3 4.41Å; F77-W88 HydrophobicContact CD1-CZ3 4.23Å; F77-W88 AromaticContact CE1-CE3 3.88Å; F77-W88 HydrophobicContact CE1-CE3 3.88Å; F77-W88 AromaticContact CE1-CZ3 3.86Å; F77-W88 HydrophobicContact CE1-CZ3 3.86Å; F77-W88 HydrophobicContact CE2-CE3 4.45Å; F77-W88 AromaticContact CZ-CE3 3.92Å; F77-W88 HydrophobicContact CZ-CE3 3.92Å; F77-W88 HydrophobicContact CZ-CZ3 4.37Å; V84-W88 HydrophobicContact CB-CE3 4.41Å; V84-W88 HydrophobicContact CG2-CB 3.69Å; V84-W88 HydrophobicContact CG2-CD2 4.46Å; V84-W88 HydrophobicContact CG2-CE3 4.15Å; V84-W88 HydrophobicContact CG2-CG 4.33Å; L85-W88 HydrophobicContact CB-CG 4.4Å; L85-W88 WeakPolarHBondContact O-CA 3.44Å; L85-W88 WeakPolarHBondContact O-CB 3.36Å; L85-W88 PolarHBondContact O-N 2.79Å; K86-W88 VanDerWaalsContact C-N 3.34Å; W88-K90 VanDerWaalsContact C-N 3.3Å; W88-K90 PolarHBondContact O-N 2.78Å; W88-G91 PolarHBondContact O-N 3.47Å; W88-G91 VanDerWaalsContact O-N 3.12Å; W88-L92 HydrophobicContact CB-CD1 4.03Å; W88-L92 HydrophobicContact CD2-CD1 4.02Å; W88-L92 HydrophobicContact CE3-CD1 3.71Å; W88-L92 HydrophobicContact CG-CD1 4.2Å; W88-L92 HydrophobicContact CZ3-CD1 4.48Å; W88-L92 VanDerWaalsContact O-CB 3.31Å; W88-L92 WeakPolarHBondContact O-CB 3.37Å; W88-L92 WeakPolarHBondContact O-CG 3.34Å; W88-L92 PolarHBondContact O-N 3.41Å; W88-F127 AromaticContact CE2-CD1 3.93Å; W88-F127 AromaticContact CZ2-CD1 3.61Å; W88-F127 HydrophobicContact CZ2-CD1 3.61Å; W88-F127 AromaticContact CZ2-CE1 3.78Å; W88-F127 HydrophobicContact CZ2-CE1 3.78Å; W88-F127 HydrophobicContact CZ2-CG 4.2Å; W88-F127 AromaticContact NE1-CD1 3.63Å; W88-F127 AromaticContact NE1-CD2 3.42Å; W88-F127 AromaticContact NE1-CE1 3.69Å; W88-F127 AromaticContact NE1-CE2 3.49Å; W88-F127 AromaticContact NE1-CG 3.48Å; W88-F127 AromaticContact NE1-CZ 3.62Å; W88-I129 HydrophobicContact CD2-CD1 3.9Å; W88-I129 HydrophobicContact CE3-CD1 4.32Å; W88-I129 HydrophobicContact CG-CD1 4.45Å; W88-I129 HydrophobicContact CH2-CD1 4.11Å; W88-I129 HydrophobicContact CZ2-CD1 3.66Å; W88-I129 HydrophobicContact CZ2-CG1 4.3Å; W88-I129 HydrophobicContact CZ3-CD1 4.42Å
89	D	94.4	Very high	93.5	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.053	19%	0.192	C	C	.	.	H	α-helix	trans	-56.8	-43.2	175.5	-75.1	-13.3	0	0	0	112.2	G80 R82 L85 K86 Q93	G80-D89 VanDerWaalsContact CA-CG 3.5Å; G80-D89 VanDerWaalsContact N-CG 3.34Å; G80-D89 PolarHBondContact N-OD1 3Å; R82-D89 WeakPolarHBondContact CA-OD2 3.28Å; R82-D89 PolarHBondContact N-OD2 2.96Å; L85-D89 PolarHBondContact O-N 2.91Å; K86-D89 PolarHBondContact O-N 3.01Å; D89-Q93 PolarHBondContact O-NE2 2.64Å
90	K	94.3	Very high	93.8	Very high	67 Å²	67	41.7 Å²	41.7	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-70.4	-43.5	173.4	-68.3	-170.2	177	-168.9	0	112.2	E24 V27 K86 W88 L109	E24-K90 IonicContact OE1-NZ 2.76Å; E24-K90 PolarHBondContact OE1-NZ 2.74Å; V27-K90 HydrophobicContact CG2-CB 4.17Å; K86-K90 PolarHBondContact O-N 2.99Å; K86-K90 VanDerWaalsContact O-N 3.16Å; W88-K90 VanDerWaalsContact C-N 3.3Å; W88-K90 PolarHBondContact O-N 2.78Å; K90-L109 HydrophobicContact CD-CD1 4.18Å
91	G	96.9	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-78.8	-21.1	-169.2	0	0	0	0	0	116.3	G87 W88 R101	G87-G91 WeakPolarHBondContact O-CA 3.25Å; G87-G91 PolarHBondContact O-N 3.04Å; W88-G91 PolarHBondContact O-N 3.47Å; W88-G91 VanDerWaalsContact O-N 3.12Å; G91-R101 PolarHBondContact O-NH1 3.41Å
92	L	97.8	Very high	95.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	7.6	-170.3	-60.8	177.1	0	0	0	114.5	S42 L48 F77 L79 W88 M95 L103 I129	S42-L92 PolarHBondContact OG-O 2.76Å; L48-L92 HydrophobicContact CD1-CB 4.29Å; F77-L92 HydrophobicContact CE1-CD1 4.22Å; F77-L92 HydrophobicContact CE2-CD1 4.41Å; F77-L92 HydrophobicContact CZ-CD1 3.52Å; L79-L92 HydrophobicContact CD1-CB 3.91Å; W88-L92 HydrophobicContact CB-CD1 4.03Å; W88-L92 HydrophobicContact CD2-CD1 4.02Å; W88-L92 HydrophobicContact CE3-CD1 3.71Å; W88-L92 HydrophobicContact CG-CD1 4.2Å; W88-L92 HydrophobicContact CZ3-CD1 4.48Å; W88-L92 VanDerWaalsContact O-CB 3.31Å; W88-L92 WeakPolarHBondContact O-CB 3.37Å; W88-L92 WeakPolarHBondContact O-CG 3.34Å; W88-L92 PolarHBondContact O-N 3.41Å; L92-M95 HydrophobicContact CD2-SD 3.61Å; L92-L103 HydrophobicContact CD2-CD1 4.09Å; L92-L103 HydrophobicContact CG-CD1 4.16Å; L92-I129 HydrophobicContact CD1-CD1 4.03Å; L92-I129 HydrophobicContact CD1-CG2 4.4Å; L92-I129 HydrophobicContact CD2-CB 4.34Å; L92-I129 HydrophobicContact CD2-CD1 4.01Å; L92-I129 HydrophobicContact CD2-CG2 4.04Å; L92-I129 HydrophobicContact CG-CD1 4.43Å
93	Q	95.8	Very high	95.9	Very high	52 Å²	52	36.5 Å²	36.5	24%	0.243	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	153.9	168.2	-75.6	172.9	67.9	0	0	112.2	Y44 L79 D89 M95 R101	Y44-Q93 HydrophobicContact CD1-CG 4.06Å; Y44-Q93 HydrophobicContact CE1-CG 3.66Å; Y44-Q93 VanDerWaalsContact CZ-CD 3.42Å; Y44-Q93 PolarHBondContact OH-NE2 3.44Å; L79-Q93 HydrophobicContact CD2-CG 3.93Å; D89-Q93 PolarHBondContact O-NE2 2.64Å; Q93-M95 PolarHBondContact O-N 3.12Å; Q93-R101 PolarHBondContact O-NH1 2.74Å; Q93-R101 PolarHBondContact O-NH2 2.76Å
94	N	96.7	Very high	96.6	Very high	97 Å²	97	32.4 Å²	32.4	52%	0.519	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	30.1	174.5	-64.7	-64.7	0	0	0	114.1	K41 S42 R101	K41-N94 HydrophobicContact CD-CB 4.38Å; S42-N94 PolarHBondContact O-N 3.48Å; S42-N94 PolarHBondContact OG-N 3.03Å; N94-R101 PolarHBondContact O-NH2 3.45Å; N94-R101 VanDerWaalsContact O-NH2 3.16Å
95	M	97.9	Very high	97	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-99.8	144.9	-177.6	-159.4	169.1	170.3	0	0	109.9	K41 S42 L92 Q93 E99 R101 L131	K41-M95 CarbonylContact C-O 3.58Å; K41-M95 WeakPolarHBondContact CA-O 3.28Å; S42-M95 PolarHBondContact N-O 3.05Å; S42-M95 WeakPolarHBondContact OG-CB 3.49Å; S42-M95 PolarHBondContact OG-N 3.46Å; S42-M95 PolarHBondContact OG-O 2.77Å; L92-M95 HydrophobicContact CD2-SD 3.61Å; Q93-M95 PolarHBondContact O-N 3.12Å; M95-E99 WeakPolarHBondContact CA-OE2 3.3Å; M95-E99 VanDerWaalsContact CE-C 3.48Å; M95-E99 HydrophobicContact CE-CB 3.87Å; M95-E99 HydrophobicContact CE-CG 4.07Å; M95-E99 WeakPolarHBondContact CE-O 3.47Å; M95-E99 HydrophobicContact CG-CB 3.77Å; M95-E99 VanDerWaalsContact CG-CD 3.5Å; M95-E99 HydrophobicContact CG-CG 3.93Å; M95-R101 HydrophobicContact CE-CB 4.1Å; M95-R101 HydrophobicContact CE-CG 3.81Å; M95-R101 HydrophobicContact SD-CG 4.06Å; M95-L131 HydrophobicContact CB-CD2 3.76Å; M95-L131 HydrophobicContact CE-CB 3.72Å; M95-L131 HydrophobicContact CG-CB 4.27Å; M95-L131 HydrophobicContact CG-CD2 3.77Å; M95-L131 HydrophobicContact SD-CB 4.08Å; M95-L131 HydrophobicContact SD-CD2 4.3Å
96	C	98.1	Very high	97.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-100	148.8	178.8	-54	0	0	0	0	110.9	P35 C38 G98 E99 L131	P35-C96 HydrophobicContact CG-CB 3.7Å; C38-C96 HydrophobicContact CB-CB 3.74Å; C38-C96 WeakPolarHBondContact CB-SG 3.41Å; C38-C96 WeakPolarHBondContact SG-CB 3.04Å; C38-C96 CovalentContact SG-SG 2.02Å; C38-C96 PolarHBondContact SG-SG 2.98Å; C96-G98 PolarHBondContact O-N 2.99Å; C96-E99 HydrophobicContact CB-CB 4.42Å; C96-E99 PolarHBondContact N-OE2 3.02Å; C96-E99 WeakPolarHBondContact O-CB 3.49Å; C96-E99 PolarHBondContact O-N 2.82Å; C96-L131 WeakPolarHBondContact O-CD2 3.22Å
97	A	97.3	Very high	97.3	Very high	48 Å²	48	27.6 Å²	27.6	40%	0.397	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.3	169.5	0	0	0	0	0	110.6	P35	P35-A97 WeakPolarHBondContact CG-O 2.97Å
98	G	96.8	Very high	97.3	Very high	25 Å²	25	31.3 Å²	31.3	26%	0.258	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	-3.1	-169.4	0	0	0	0	0	115.2	H33 C96 L131	H33-G98 PolarHBondContact CE1-O 2.8Å; H33-G98 VanDerWaalsContact CE1-O 3.27Å; H33-G98 PolarHBondContact ND1-O 2.77Å; C96-G98 PolarHBondContact O-N 2.99Å; G98-L131 WeakPolarHBondContact CA-O 3.26Å; G98-L131 PolarHBondContact N-O 2.79Å
99	E	98.4	Very high	97.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.019	17%	0.173	C	C	.	.			trans	-75.8	146.7	174.9	-166.1	176.7	143.3	0	0	110.6	V31 H33 M95 C96 R101 L131	V31-E99 HydrophobicContact CG1-CG 4.12Å; H33-E99 WeakPolarHBondContact O-CA 3.38Å; H33-E99 WeakPolarHBondContact O-CG 3.46Å; M95-E99 WeakPolarHBondContact CA-OE2 3.3Å; M95-E99 VanDerWaalsContact CE-C 3.48Å; M95-E99 HydrophobicContact CE-CB 3.87Å; M95-E99 HydrophobicContact CE-CG 4.07Å; M95-E99 WeakPolarHBondContact CE-O 3.47Å; M95-E99 HydrophobicContact CG-CB 3.77Å; M95-E99 VanDerWaalsContact CG-CD 3.5Å; M95-E99 HydrophobicContact CG-CG 3.93Å; C96-E99 HydrophobicContact CB-CB 4.42Å; C96-E99 PolarHBondContact N-OE2 3.02Å; C96-E99 WeakPolarHBondContact O-CB 3.49Å; C96-E99 PolarHBondContact O-N 2.82Å; E99-R101 IonicContact OE1-CZ 2.79Å; E99-R101 IonicContact OE1-NE 3.65Å; E99-R101 PolarHBondContact OE1-NE 3.15Å; E99-R101 IonicContact OE1-NH2 3.63Å; E99-R101 PolarHBondContact OE1-NH2 2.88Å; E99-R101 IonicContact OE2-NH2 3.91Å; E99-L131 PolarHBondContact O-N 2.9Å
100	R	98.3	Very high	97.3	Very high	93 Å²	93	31.7 Å²	31.7	35%	0.351	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.6	173.9	-172.2	178	171.5	174.4	-0.8	110	I32 H33 D128 I129 E130	I32-R100 HydrophobicContact CB-CB 4.42Å; I32-R100 HydrophobicContact CB-CG 4.35Å; I32-R100 HydrophobicContact CD1-CG 4.27Å; I32-R100 PolarHBondContact N-O 2.66Å; H33-R100 HydrophobicContact CB-CB 3.98Å; H33-R100 PolarHBondContact N-O 2.91Å; H33-R100 VanDerWaalsContact N-O 3.14Å; H33-R100 PolarHBondContact O-N 2.89Å; R100-D128 WeakPolarHBondContact CG-OD1 3.38Å; R100-D128 IonicContact CZ-OD1 3.51Å; R100-D128 IonicContact CZ-OD2 3.37Å; R100-D128 IonicContact NE-OD1 2.72Å; R100-D128 PolarHBondContact NE-OD1 3.21Å; R100-D128 IonicContact NE-OD2 3.33Å; R100-D128 PolarHBondContact NE-OD2 3.22Å; R100-D128 IonicContact NH2-OD1 3.5Å; R100-D128 IonicContact NH2-OD2 2.65Å; R100-D128 PolarHBondContact NH2-OD2 2.91Å; R100-I129 CarbonylContact C-O 3.58Å; R100-I129 WeakPolarHBondContact CA-O 3.15Å; R100-I129 WeakPolarHBondContact CG-O 3.38Å; R100-E130 HydrophobicContact CG-CB 4.33Å
101	R	98.6	Very high	97.4	Very high	20 Å²	20	32 Å²	32	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148	-179.3	-74.2	-178.9	-177.1	176.2	7.7	111.5	I29 E30 V31 G91 Q93 N94 M95 E99 L103 I129	I29-R101 HydrophobicContact CG2-CG 4.39Å; E30-R101 CarbonylContact O-C 3.56Å; E30-R101 VanDerWaalsContact O-CA 3.26Å; E30-R101 WeakPolarHBondContact O-CA 3.41Å; V31-R101 HydrophobicContact CG2-CG 4.25Å; G91-R101 PolarHBondContact O-NH1 3.41Å; Q93-R101 PolarHBondContact O-NH1 2.74Å; Q93-R101 PolarHBondContact O-NH2 2.76Å; N94-R101 PolarHBondContact O-NH2 3.45Å; N94-R101 VanDerWaalsContact O-NH2 3.16Å; M95-R101 HydrophobicContact CE-CB 4.1Å; M95-R101 HydrophobicContact CE-CG 3.81Å; M95-R101 HydrophobicContact SD-CG 4.06Å; E99-R101 IonicContact OE1-CZ 2.79Å; E99-R101 IonicContact OE1-NE 3.65Å; E99-R101 PolarHBondContact OE1-NE 3.15Å; E99-R101 IonicContact OE1-NH2 3.63Å; E99-R101 PolarHBondContact OE1-NH2 2.88Å; E99-R101 IonicContact OE2-NH2 3.91Å; R101-L103 HydrophobicContact CB-CD2 4.34Å; R101-I129 PolarHBondContact N-O 3.36Å; R101-I129 PolarHBondContact O-N 2.64Å
102	K	98.6	Very high	97.3	Very high	68 Å²	68	33 Å²	33	30%	0.296	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.4	161.2	179	-176.4	-179.8	-169.4	0	109.3	E30 I32 I126 F127	E30-K102 HydrophobicContact CB-CB 4.22Å; E30-K102 PolarHBondContact N-O 3.24Å; E30-K102 PolarHBondContact O-N 3.16Å; I32-K102 HydrophobicContact CD1-CB 3.75Å; I32-K102 HydrophobicContact CG1-CB 4.21Å; K102-I126 HydrophobicContact CD-CG2 4.26Å; K102-I126 VanDerWaalsContact CE-CG2 3.42Å; K102-I126 HydrophobicContact CG-CG2 3.95Å; K102-F127 CarbonylContact C-O 3.5Å; K102-F127 WeakPolarHBondContact CA-O 3.15Å
103	L	98.6	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.5	175	-53.5	-174.5	0	0	0	109.4	V27 K28 I29 L92 R101 V105 I126 F127 I129	V27-L103 HydrophobicContact CG1-CB 3.98Å; V27-L103 HydrophobicContact CG1-CD2 4.24Å; K28-L103 WeakPolarHBondContact O-CA 3.37Å; I29-L103 HydrophobicContact CB-CD2 4.25Å; I29-L103 HydrophobicContact CG1-CD2 3.97Å; I29-L103 HydrophobicContact CG2-CD2 3.94Å; L92-L103 HydrophobicContact CD2-CD1 4.09Å; L92-L103 HydrophobicContact CG-CD1 4.16Å; R101-L103 HydrophobicContact CB-CD2 4.34Å; L103-V105 HydrophobicContact CB-CG2 4.01Å; L103-I126 CarbonylContact O-C 3.51Å; L103-I126 VanDerWaalsContact O-CA 3.32Å; L103-I126 WeakPolarHBondContact O-CA 3.42Å; L103-F127 HydrophobicContact CB-CB 4.34Å; L103-F127 PolarHBondContact N-O 2.93Å; L103-F127 PolarHBondContact O-N 3.43Å; L103-I129 HydrophobicContact CD1-CD1 3.75Å; L103-I129 HydrophobicContact CG-CD1 4.27Å
104	T	98.5	Very high	97.3	Very high	21 Å²	21	45.3 Å²	45.3	13%	0.129	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.2	163.1	-56.9	0	0	0	0	108.1	K28 E57 T124 L125	K28-T104 PolarHBondContact N-O 3.15Å; K28-T104 PolarHBondContact O-N 2.99Å; E57-T104 WeakPolarHBondContact OE1-CG2 3.45Å; T104-T124 HydrophobicContact CG2-CG2 3.52Å; T104-L125 CarbonylContact C-O 3.59Å; T104-L125 WeakPolarHBondContact CA-O 3.13Å
105	V	98.3	Very high	97.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.3	-171.8	-174.1	0	0	0	0	109.3	V27 L103 L109 A110 T124 L125 F127	V27-V105 HydrophobicContact CG1-CG2 4.04Å; L103-V105 HydrophobicContact CB-CG2 4.01Å; V105-L109 HydrophobicContact CG1-CB 3.8Å; V105-L109 WeakPolarHBondContact CG1-O 3.04Å; V105-A110 HydrophobicContact CG1-CB 3.96Å; V105-T124 WeakPolarHBondContact O-CA 3.3Å; V105-T124 WeakPolarHBondContact O-CG2 3.5Å; V105-L125 PolarHBondContact N-O 2.79Å; V105-L125 PolarHBondContact O-N 3.29Å; V105-F127 HydrophobicContact CG2-CD2 3.96Å; V105-F127 HydrophobicContact CG2-CE2 4.29Å
106	P	97.8	Very high	97.1	Very high	27 Å²	27	47.1 Å²	47.1	18%	0.175	25%	0.253	C	S	.	.			trans	-67.4	158.6	176.5	29.3	-35	0	0	0	111.2	A25 D26 S108 L109 A110	A25-P106 HydrophobicContact CB-CG 4.03Å; D26-P106 WeakPolarHBondContact O-CD 3.25Å; P106-S108 VanDerWaalsContact C-N 3.26Å; P106-S108 PolarHBondContact O-N 3.34Å; P106-S108 VanDerWaalsContact O-N 3.15Å; P106-L109 HydrophobicContact CG-CB 4.35Å; P106-L109 HydrophobicContact CG-CD1 4.06Å; P106-L109 HydrophobicContact CG-CG 4.2Å; P106-L109 PolarHBondContact O-N 3.41Å; P106-A110 PolarHBondContact O-N 2.87Å
107	P	97.1	Very high	96.9	Very high	31 Å²	31	51.2 Å²	51.2	20%	0.201	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.1	-34.3	-173.4	20.1	-32.6	0	0	0	114.1	L109 A110 G112	P107-L109 PolarHBondContact O-N 3.1Å; P107-A110 CarbonylContact O-C 3.47Å; P107-A110 PolarHBondContact O-N 2.8Å; P107-G112 VanDerWaalsContact O-CA 3.29Å; P107-G112 WeakPolarHBondContact O-CA 2.98Å; P107-G112 PolarHBondContact O-N 2.83Å
108	S	95.8	Very high	96.7	Very high	77 Å²	77	56.9 Å²	56.9	54%	0.538	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-64.8	-19.3	177.5	51.2	0	0	0	0	114.3	A25 P106	A25-S108 WeakPolarHBondContact CB-OG 3.23Å; P106-S108 VanDerWaalsContact C-N 3.26Å; P106-S108 PolarHBondContact O-N 3.34Å; P106-S108 VanDerWaalsContact O-N 3.15Å
109	L	96.4	Very high	96.7	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-107.9	6.3	174.7	-60.8	-178.8	0	0	0	112.3	A25 V27 K86 G87 K90 V105 P106 P107	A25-L109 HydrophobicContact CB-CG 4.46Å; V27-L109 HydrophobicContact CG2-CD1 3.61Å; K86-L109 HydrophobicContact CB-CB 4.47Å; K86-L109 HydrophobicContact CB-CD2 4.12Å; K86-L109 PolarHBondContact N-O 3.31Å; G87-L109 PolarHBondContact N-O 3.09Å; K90-L109 HydrophobicContact CD-CD1 4.18Å; V105-L109 HydrophobicContact CG1-CB 3.8Å; V105-L109 WeakPolarHBondContact CG1-O 3.04Å; P106-L109 HydrophobicContact CG-CB 4.35Å; P106-L109 HydrophobicContact CG-CD1 4.06Å; P106-L109 HydrophobicContact CG-CG 4.2Å; P106-L109 PolarHBondContact O-N 3.41Å; P107-L109 PolarHBondContact O-N 3.1Å
110	A	96	Very high	96.6	Very high	21 Å²	21	59.1 Å²	59.1	17%	0.174	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-123.3	177.7	0	0	0	0	0	110.2	L85 V105 P106 P107 L125	L85-A110 HydrophobicContact CD1-CB 4.29Å; V105-A110 HydrophobicContact CG1-CB 3.96Å; P106-A110 PolarHBondContact O-N 2.87Å; P107-A110 CarbonylContact O-C 3.47Å; P107-A110 PolarHBondContact O-N 2.8Å; A110-L125 HydrophobicContact CB-CD1 3.77Å; A110-L125 HydrophobicContact CB-CG 4.17Å
111	Y	96.1	Very high	96.6	Very high	74 Å²	74	58.6 Å²	58.6	29%	0.29	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	16.9	-175.5	-58.6	-72	0	0	0	114.5	L85 G115 Q116 I119 L125	L85-Y111 HydrophobicContact CD1-CE2 4.07Å; L85-Y111 HydrophobicContact CD2-CD1 4.08Å; L85-Y111 HydrophobicContact CD2-CD2 4.4Å; L85-Y111 HydrophobicContact CD2-CE1 3.62Å; L85-Y111 HydrophobicContact CD2-CE2 3.98Å; L85-Y111 HydrophobicContact CD2-CG 4.46Å; Y111-G115 PolarHBondContact O-N 3.48Å; Y111-Q116 HydrophobicContact CD1-CB 3.88Å; Y111-Q116 HydrophobicContact CE1-CB 4.29Å; Y111-Q116 HydrophobicContact CG-CB 4.08Å; Y111-I119 HydrophobicContact CD2-CB 4.49Å; Y111-I119 HydrophobicContact CD2-CD1 3.49Å; Y111-I119 VanDerWaalsContact CD2-CD1 3.49Å; Y111-I119 HydrophobicContact CD2-CG2 4.12Å; Y111-I119 HydrophobicContact CE2-CD1 3.2Å; Y111-L125 HydrophobicContact CD2-CD1 3.79Å; Y111-L125 HydrophobicContact CE2-CD1 3.77Å
112	G	95.2	Very high	96.5	Very high	20 Å²	20	60.9 Å²	60.9	21%	0.206	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	-150.3	169.3	0	0	0	0	0	114.9	P107 E114 S122	P107-G112 VanDerWaalsContact O-CA 3.29Å; P107-G112 WeakPolarHBondContact O-CA 2.98Å; P107-G112 PolarHBondContact O-N 2.83Å; G112-E114 VanDerWaalsContact C-N 3.27Å; G112-S122 VanDerWaalsContact O-CA 3.29Å; G112-S122 WeakPolarHBondContact O-CA 3.34Å; G112-S122 PolarHBondContact O-N 3.36Å
113	K	96.2	Very high	96.5	Very high	164 Å²	164	58.5 Å²	58.5	71%	0.713	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.9	-179.5	-67	178.3	-179.5	175.4	0	111.9	P121	K113-P121 WeakPolarHBondContact O-CA 3.49Å; K113-P121 WeakPolarHBondContact O-CB 3.46Å
114	E	96.4	Very high	96.5	Very high	148 Å²	148	60.2 Å²	60.2	69%	0.692	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-35.9	-172.1	-62	71.1	-160.3	0	0	110.5	G112	G112-E114 VanDerWaalsContact C-N 3.27Å
115	G	95.3	Very high	96.5	Very high	17 Å²	17	59.2 Å²	59.2	18%	0.175	35%	0.345	C	S	.	.			trans	70.5	-172.2	-172	0	0	0	0	0	111.9	Y111 I119	Y111-G115 PolarHBondContact O-N 3.48Å; G115-I119 WeakPolarHBondContact CA-O 3.48Å
116	Q	95.7	Very high	96.5	Very high	119 Å²	119	60.9 Å²	60.9	56%	0.556	35%	0.353	S	S	*	.	B	Isolated β-bridge	trans	-159.2	125.5	176.1	-170.4	174	2	0	0	112	Y111 K118 I119	Y111-Q116 HydrophobicContact CD1-CB 3.88Å; Y111-Q116 HydrophobicContact CE1-CB 4.29Å; Y111-Q116 HydrophobicContact CG-CB 4.08Å; Q116-K118 PolarHBondContact O-N 2.89Å; Q116-I119 PolarHBondContact N-O 3.22Å; Q116-I119 VanDerWaalsContact O-CB 3.3Å; Q116-I119 WeakPolarHBondContact O-CB 3.45Å; Q116-I119 PolarHBondContact O-N 2.88Å
117	G	94	Very high	96.5	Very high	87 Å²	87	59.8 Å²	59.8	90%	0.897	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	-110	174.6	0	0	0	0	0	112.8	I119	G117-I119 VanDerWaalsContact C-N 3.28Å; G117-I119 PolarHBondContact O-N 3.05Å
118	K	92.5	Very high	96.5	Very high	167 Å²	167	59.7 Å²	59.7	73%	0.726	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.2	178	-63.2	179.4	-176.1	172.8	0	113.9	F63 Q116 P120	F63-K118 HydrophobicContact CB-CB 4.36Å; Q116-K118 PolarHBondContact O-N 2.89Å; K118-P120 WeakPolarHBondContact O-CD 3.35Å
119	I	96.6	Very high	96.7	Very high	14 Å²	14	56 Å²	56	7%	0.072	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-100.4	113.9	-174.9	-57.1	170.7	0	0	0	108.7	L56 F63 Y111 G115 Q116 G117 L125	L56-I119 HydrophobicContact CD2-CG2 4.07Å; F63-I119 HydrophobicContact CB-CG1 4.26Å; F63-I119 HydrophobicContact CD1-CD1 4.45Å; F63-I119 HydrophobicContact CD1-CG1 4.23Å; F63-I119 HydrophobicContact CD2-CD1 3.66Å; F63-I119 HydrophobicContact CD2-CG1 3.93Å; F63-I119 HydrophobicContact CE1-CD1 4.42Å; F63-I119 HydrophobicContact CE2-CD1 3.66Å; F63-I119 HydrophobicContact CE2-CG1 4.36Å; F63-I119 HydrophobicContact CG-CD1 4.1Å; F63-I119 HydrophobicContact CG-CG1 3.88Å; F63-I119 HydrophobicContact CZ-CD1 4.05Å; Y111-I119 HydrophobicContact CD2-CB 4.49Å; Y111-I119 HydrophobicContact CD2-CD1 3.49Å; Y111-I119 VanDerWaalsContact CD2-CD1 3.49Å; Y111-I119 HydrophobicContact CD2-CG2 4.12Å; Y111-I119 HydrophobicContact CE2-CD1 3.2Å; G115-I119 WeakPolarHBondContact CA-O 3.48Å; Q116-I119 PolarHBondContact N-O 3.22Å; Q116-I119 VanDerWaalsContact O-CB 3.3Å; Q116-I119 WeakPolarHBondContact O-CB 3.45Å; Q116-I119 PolarHBondContact O-N 2.88Å; G117-I119 VanDerWaalsContact C-N 3.28Å; G117-I119 PolarHBondContact O-N 3.05Å; I119-L125 HydrophobicContact CD1-CD1 4.38Å; I119-L125 HydrophobicContact CG2-CD2 3.79Å
120	P	97.1	Very high	96.7	Very high	61 Å²	61	58 Å²	58	40%	0.396	33%	0.327	S	S	.	.			trans	-64.1	157.9	178.7	-22.5	33.5	0	0	0	113.4	L56 K118 S123	L56-P120 HydrophobicContact CD1-CG 4.45Å; K118-P120 WeakPolarHBondContact O-CD 3.35Å; P120-S123 WeakPolarHBondContact CD-OG 3.49Å; P120-S123 WeakPolarHBondContact O-CB 3.4Å; P120-S123 PolarHBondContact O-N 3.26Å; P120-S123 PolarHBondContact O-OG 2.96Å
121	P	97.9	Very high	96.8	Very high	83 Å²	83	57 Å²	57	54%	0.539	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.5	137	163.2	-39.2	42.9	0	0	0	114.6	K113 S123	K113-P121 WeakPolarHBondContact O-CA 3.49Å; K113-P121 WeakPolarHBondContact O-CB 3.46Å; P121-S123 PolarHBondContact O-N 2.02Å; P121-S123 VanDerWaalsContact O-N 3.16Å
122	S	97	Very high	96.8	Very high	68 Å²	68	57.2 Å²	57.2	48%	0.476	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	30.6	172.7	-52.3	0	0	0	0	114.7	G112	G112-S122 VanDerWaalsContact O-CA 3.29Å; G112-S122 WeakPolarHBondContact O-CA 3.34Å; G112-S122 PolarHBondContact O-N 3.36Å
123	S	97.8	Very high	96.8	Very high	17 Å²	17	60.2 Å²	60.2	12%	0.119	33%	0.332	C	S	.	.			trans	-79.8	130.2	179.1	-63.9	0	0	0	0	112.5	P120 P121	P120-S123 WeakPolarHBondContact CD-OG 3.49Å; P120-S123 WeakPolarHBondContact O-CB 3.4Å; P120-S123 PolarHBondContact O-N 3.26Å; P120-S123 PolarHBondContact O-OG 2.96Å; P121-S123 PolarHBondContact O-N 2.02Å; P121-S123 VanDerWaalsContact O-N 3.16Å
124	T	98.4	Very high	96.8	Very high	37 Å²	37	53.4 Å²	53.4	23%	0.227	30%	0.303	C	S	.	.			trans	-75.4	133.7	160	-55.5	0	0	0	0	109.2	E57 T104 V105	E57-T124 HydrophobicContact CB-CG2 4.04Å; E57-T124 WeakPolarHBondContact CB-O 3.42Å; E57-T124 HydrophobicContact CG-CG2 4.38Å; E57-T124 PolarHBondContact N-O 3.36Å; E57-T124 VanDerWaalsContact OE2-CB 3.23Å; E57-T124 WeakPolarHBondContact OE2-CB 3.23Å; E57-T124 WeakPolarHBondContact OE2-CG2 3.5Å; E57-T124 PolarHBondContact OE2-OG1 3.16Å; T104-T124 HydrophobicContact CG2-CG2 3.52Å; V105-T124 WeakPolarHBondContact O-CA 3.3Å; V105-T124 WeakPolarHBondContact O-CG2 3.5Å
125	L	98.4	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.5	-177.7	-52	-176.3	0	0	0	110.8	F55 L56 F63 L85 T104 V105 A110 Y111 I119 F127	F55-L125 WeakPolarHBondContact O-CA 3.5Å; L56-L125 HydrophobicContact CD2-CD2 3.82Å; F63-L125 HydrophobicContact CE1-CB 4.46Å; F63-L125 HydrophobicContact CE1-CD1 4.39Å; F63-L125 HydrophobicContact CE1-CD2 3.85Å; F63-L125 HydrophobicContact CE1-CG 4.46Å; F63-L125 HydrophobicContact CZ-CD1 4.05Å; F63-L125 HydrophobicContact CZ-CD2 4.33Å; L85-L125 HydrophobicContact CD1-CD1 4.14Å; T104-L125 CarbonylContact C-O 3.59Å; T104-L125 WeakPolarHBondContact CA-O 3.13Å; V105-L125 PolarHBondContact N-O 2.79Å; V105-L125 PolarHBondContact O-N 3.29Å; A110-L125 HydrophobicContact CB-CD1 3.77Å; A110-L125 HydrophobicContact CB-CG 4.17Å; Y111-L125 HydrophobicContact CD2-CD1 3.79Å; Y111-L125 HydrophobicContact CE2-CD1 3.77Å; I119-L125 HydrophobicContact CD1-CD1 4.38Å; I119-L125 HydrophobicContact CG2-CD2 3.79Å; L125-F127 HydrophobicContact CB-CD2 4.21Å; L125-F127 HydrophobicContact CB-CE2 3.65Å; L125-F127 HydrophobicContact CB-CZ 4.33Å; L125-F127 HydrophobicContact CD1-CE2 3.81Å; L125-F127 HydrophobicContact CD1-CZ 3.88Å; L125-F127 HydrophobicContact CG-CE2 4.41Å
126	I	98.6	Very high	96.2	Very high	34 Å²	34	51.2 Å²	51.2	17%	0.174	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.9	169	-62.7	175	0	0	0	107.6	F55 E57 K102 L103	F55-I126 HydrophobicContact CB-CB 4.39Å; F55-I126 PolarHBondContact N-O 3.47Å; F55-I126 PolarHBondContact O-N 3.4Å; E57-I126 HydrophobicContact CB-CD1 4.15Å; E57-I126 HydrophobicContact CB-CG1 4.15Å; E57-I126 HydrophobicContact CG-CD1 4.12Å; E57-I126 HydrophobicContact CG-CG1 4.46Å; K102-I126 HydrophobicContact CD-CG2 4.26Å; K102-I126 VanDerWaalsContact CE-CG2 3.42Å; K102-I126 HydrophobicContact CG-CG2 3.95Å; L103-I126 CarbonylContact O-C 3.51Å; L103-I126 VanDerWaalsContact O-CA 3.32Å; L103-I126 WeakPolarHBondContact O-CA 3.42Å
127	F	98.3	Very high	95.6	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	139	171.2	-68.6	-84.9	0	0	0	110.4	Y52 E53 F63 L85 W88 K102 L103 V105 L125 I129	Y52-F127 HydrophobicContact CD2-CD1 4.33Å; Y52-F127 HydrophobicContact CD2-CE1 4.48Å; E53-F127 WeakPolarHBondContact O-CA 3.3Å; F63-F127 HydrophobicContact CE2-CE1 4.23Å; F63-F127 HydrophobicContact CE2-CZ 4.35Å; F63-F127 AromaticContact CZ-CE1 3.75Å; F63-F127 HydrophobicContact CZ-CE1 3.75Å; F63-F127 AromaticContact CZ-CZ 3.7Å; F63-F127 HydrophobicContact CZ-CZ 3.7Å; L85-F127 HydrophobicContact CD1-CE2 3.67Å; L85-F127 HydrophobicContact CD1-CZ 3.57Å; W88-F127 AromaticContact CE2-CD1 3.93Å; W88-F127 AromaticContact CZ2-CD1 3.61Å; W88-F127 HydrophobicContact CZ2-CD1 3.61Å; W88-F127 AromaticContact CZ2-CE1 3.78Å; W88-F127 HydrophobicContact CZ2-CE1 3.78Å; W88-F127 HydrophobicContact CZ2-CG 4.2Å; W88-F127 AromaticContact NE1-CD1 3.63Å; W88-F127 AromaticContact NE1-CD2 3.42Å; W88-F127 AromaticContact NE1-CE1 3.69Å; W88-F127 AromaticContact NE1-CE2 3.49Å; W88-F127 AromaticContact NE1-CG 3.48Å; W88-F127 AromaticContact NE1-CZ 3.62Å; K102-F127 CarbonylContact C-O 3.5Å; K102-F127 WeakPolarHBondContact CA-O 3.15Å; L103-F127 HydrophobicContact CB-CB 4.34Å; L103-F127 PolarHBondContact N-O 2.93Å; L103-F127 PolarHBondContact O-N 3.43Å; V105-F127 HydrophobicContact CG2-CD2 3.96Å; V105-F127 HydrophobicContact CG2-CE2 4.29Å; L125-F127 HydrophobicContact CB-CD2 4.21Å; L125-F127 HydrophobicContact CB-CE2 3.65Å; L125-F127 HydrophobicContact CB-CZ 4.33Å; L125-F127 HydrophobicContact CD1-CE2 3.81Å; L125-F127 HydrophobicContact CD1-CZ 3.88Å; L125-F127 HydrophobicContact CG-CE2 4.41Å; F127-I129 HydrophobicContact CB-CD1 3.8Å; F127-I129 HydrophobicContact CB-CG1 3.82Å; F127-I129 HydrophobicContact CG-CD1 4.46Å
128	D	97.8	Very high	94.6	Very high	30 Å²	30	44.2 Å²	44.2	16%	0.16	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.8	165.7	-170.7	-20.7	0	0	0	107.7	Y52 E53 R100	Y52-D128 CarbonylContact C-O 3.54Å; Y52-D128 WeakPolarHBondContact CA-O 3.4Å; E53-D128 PolarHBondContact N-O 2.91Å; E53-D128 PolarHBondContact O-N 2.87Å; R100-D128 WeakPolarHBondContact CG-OD1 3.38Å; R100-D128 IonicContact CZ-OD1 3.51Å; R100-D128 IonicContact CZ-OD2 3.37Å; R100-D128 IonicContact NE-OD1 2.72Å; R100-D128 PolarHBondContact NE-OD1 3.21Å; R100-D128 IonicContact NE-OD2 3.33Å; R100-D128 PolarHBondContact NE-OD2 3.22Å; R100-D128 IonicContact NH2-OD1 3.5Å; R100-D128 IonicContact NH2-OD2 2.65Å; R100-D128 PolarHBondContact NH2-OD2 2.91Å
129	I	98.1	Very high	93.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.5	-166.4	-54	179.2	0	0	0	109.2	V50 H51 W88 L92 R100 R101 L103 F127	V50-I129 HydrophobicContact CB-CG2 3.93Å; V50-I129 HydrophobicContact CG1-CG2 4.02Å; V50-I129 HydrophobicContact CG2-CG2 4.43Å; H51-I129 CarbonylContact O-C 3.43Å; H51-I129 WeakPolarHBondContact O-CA 3.38Å; W88-I129 HydrophobicContact CD2-CD1 3.9Å; W88-I129 HydrophobicContact CE3-CD1 4.32Å; W88-I129 HydrophobicContact CG-CD1 4.45Å; W88-I129 HydrophobicContact CH2-CD1 4.11Å; W88-I129 HydrophobicContact CZ2-CD1 3.66Å; W88-I129 HydrophobicContact CZ2-CG1 4.3Å; W88-I129 HydrophobicContact CZ3-CD1 4.42Å; L92-I129 HydrophobicContact CD1-CD1 4.03Å; L92-I129 HydrophobicContact CD1-CG2 4.4Å; L92-I129 HydrophobicContact CD2-CB 4.34Å; L92-I129 HydrophobicContact CD2-CD1 4.01Å; L92-I129 HydrophobicContact CD2-CG2 4.04Å; L92-I129 HydrophobicContact CG-CD1 4.43Å; R100-I129 CarbonylContact C-O 3.58Å; R100-I129 WeakPolarHBondContact CA-O 3.15Å; R100-I129 WeakPolarHBondContact CG-O 3.38Å; R101-I129 PolarHBondContact N-O 3.36Å; R101-I129 PolarHBondContact O-N 2.64Å; L103-I129 HydrophobicContact CD1-CD1 3.75Å; L103-I129 HydrophobicContact CG-CD1 4.27Å; F127-I129 HydrophobicContact CB-CD1 3.8Å; F127-I129 HydrophobicContact CB-CG1 3.82Å; F127-I129 HydrophobicContact CG-CD1 4.46Å
130	E	97.6	Very high	93	Very high	53 Å²	53	40.8 Å²	40.8	25%	0.248	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.6	170.8	-174.6	178	-159.9	0	0	109.2	V50 H51 R67 R100 M132	V50-E130 VanDerWaalsContact CA-O 3.28Å; V50-E130 WeakPolarHBondContact CA-O 3.4Å; H51-E130 HydrophobicContact CB-CB 4.47Å; H51-E130 PolarHBondContact N-O 2.85Å; H51-E130 PolarHBondContact O-N 3.06Å; R67-E130 IonicContact CZ-OE2 3.76Å; R67-E130 IonicContact NH2-OE2 2.6Å; R67-E130 PolarHBondContact NH2-OE2 2.78Å; R100-E130 HydrophobicContact CG-CB 4.33Å; E130-M132 HydrophobicContact CB-SD 4.36Å; E130-M132 HydrophobicContact CG-SD 3.75Å
131	L	97.9	Very high	92.3	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	114.8	176	178.6	57.6	0	0	0	109.1	L48 V50 M95 C96 G98 E99 E133 I134	L48-L131 HydrophobicContact CB-CD1 3.82Å; L48-L131 HydrophobicContact CD1-CD1 4.43Å; L48-L131 HydrophobicContact CD2-CD1 3.99Å; L48-L131 HydrophobicContact CG-CD1 4.29Å; V50-L131 HydrophobicContact CG1-CD1 3.91Å; M95-L131 HydrophobicContact CB-CD2 3.76Å; M95-L131 HydrophobicContact CE-CB 3.72Å; M95-L131 HydrophobicContact CG-CB 4.27Å; M95-L131 HydrophobicContact CG-CD2 3.77Å; M95-L131 HydrophobicContact SD-CB 4.08Å; M95-L131 HydrophobicContact SD-CD2 4.3Å; C96-L131 WeakPolarHBondContact O-CD2 3.22Å; G98-L131 WeakPolarHBondContact CA-O 3.26Å; G98-L131 PolarHBondContact N-O 2.79Å; E99-L131 PolarHBondContact O-N 2.9Å; L131-E133 WeakPolarHBondContact CD1-O 3.38Å; L131-I134 HydrophobicContact CD1-CG1 4.35Å; L131-I134 HydrophobicContact CD2-CD1 3.99Å; L131-I134 HydrophobicContact CD2-CG1 3.86Å; L131-I134 HydrophobicContact CG-CG1 4.32Å
132	M	96	Very high	91.6	Very high	77 Å²	77	42.9 Å²	42.9	38%	0.379	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-46.3	-177.9	-51.9	-56.4	-64.9	0	0	111	L49 P74 E130	L49-M132 HydrophobicContact CB-CB 4.24Å; L49-M132 HydrophobicContact CD2-CB 4.18Å; L49-M132 HydrophobicContact CG-CB 4.05Å; L49-M132 HydrophobicContact CG-CG 4.5Å; L49-M132 WeakPolarHBondContact O-CA 3.48Å; L49-M132 WeakPolarHBondContact O-CB 3.44Å; L49-M132 PolarHBondContact O-N 3.33Å; P74-M132 HydrophobicContact CB-CG 4.21Å; E130-M132 HydrophobicContact CB-SD 4.36Å; E130-M132 HydrophobicContact CG-SD 3.75Å
133	E	95.8	Very high	91.1	Very high	84 Å²	84	40.3 Å²	40.3	39%	0.393	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.1	-173.3	-165	178	151.3	0	0	111.8	L49 W76 L131 Q135	L49-E133 HydrophobicContact CB-CB 3.9Å; L49-E133 HydrophobicContact CD2-CB 4.28Å; L49-E133 PolarHBondContact N-O 3.07Å; L49-E133 PolarHBondContact O-N 2.9Å; W76-E133 HydrophobicContact CH2-CB 3.91Å; W76-E133 HydrophobicContact CH2-CG 4.03Å; L131-E133 WeakPolarHBondContact CD1-O 3.38Å; E133-Q135 HydrophobicContact CG-CG 4.48Å; E133-Q135 WeakPolarHBondContact OE1-CG 3.04Å; E133-Q135 PolarHBondContact OE1-NE2 3.16Å
134	I	96.1	Very high	90.6	Very high	20 Å²	20	39.6 Å²	39.6	10%	0.103	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.6	173	-51	171.7	0	0	0	108	R40 D46 M47 L48 L131	R40-I134 HydrophobicContact CG-CD1 4.3Å; R40-I134 HydrophobicContact CG-CG2 4.47Å; R40-I134 VanDerWaalsContact NE-CG2 3.25Å; D46-I134 HydrophobicContact CB-CG2 3.86Å; D46-I134 WeakPolarHBondContact OD2-CG2 3.13Å; M47-I134 WeakPolarHBondContact O-CA 3.5Å; L48-I134 HydrophobicContact CD2-CB 4.3Å; L48-I134 HydrophobicContact CD2-CG1 3.97Å; L48-I134 HydrophobicContact CD2-CG2 3.9Å; L131-I134 HydrophobicContact CD1-CG1 4.35Å; L131-I134 HydrophobicContact CD2-CD1 3.99Å; L131-I134 HydrophobicContact CD2-CG1 3.86Å; L131-I134 HydrophobicContact CG-CG1 4.32Å
135	Q	92.1	Very high	90.2	Very high	72 Å²	72	44.7 Å²	44.7	34%	0.336	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	158.7	171.3	-73.7	-178.6	12.2	0	0	110.5	R40 D46 M47 W76 E133 G137	R40-Q135 PolarHBondContact NH2-O 3.09Å; D46-Q135 WeakPolarHBondContact CA-O 3.47Å; M47-Q135 HydrophobicContact CB-CB 4.19Å; M47-Q135 PolarHBondContact N-O 2.86Å; M47-Q135 PolarHBondContact O-N 3.35Å; W76-Q135 HydrophobicContact CH2-CB 4.12Å; W76-Q135 HydrophobicContact CH2-CG 3.57Å; W76-Q135 HydrophobicContact CZ2-CG 4.43Å; W76-Q135 HydrophobicContact CZ3-CB 4.06Å; W76-Q135 HydrophobicContact CZ3-CG 4.04Å; E133-Q135 HydrophobicContact CG-CG 4.48Å; E133-Q135 WeakPolarHBondContact OE1-CG 3.04Å; E133-Q135 PolarHBondContact OE1-NE2 3.16Å; Q135-G137 PolarHBondContact O-N 2.97Å
136	N	86.4	Confident	89.8	Confident	47 Å²	47	50.2 Å²	50.2	25%	0.251	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	125.4	166.2	-64.1	-35.8	0	0	0	107.7	R40 E142	R40-N136 VanDerWaalsContact CZ-OD1 3.31Å; R40-N136 PolarHBondContact NH1-OD1 3.13Å; R40-N136 PolarHBondContact NH2-OD1 3.27Å; N136-E142 PolarHBondContact ND2-OE2 3.45Å
137	G	82.8	Confident	89.5	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.01	24%	0.236	C	C	.	.			trans	-78.6	175.8	175	0	0	0	0	0	112	G45 Q135 R139 S140 T143	G45-G137 WeakPolarHBondContact O-CA 3.48Å; G45-G137 PolarHBondContact O-N 3.3Å; Q135-G137 PolarHBondContact O-N 2.97Å; G137-R139 PolarHBondContact O-N 3.39Å; G137-S140 WeakPolarHBondContact O-CB 3.38Å; G137-S140 PolarHBondContact O-N 3.15Å; G137-S140 VanDerWaalsContact O-N 3.12Å; G137-T143 PolarHBondContact O-OG1 3.04Å
138	P	74.1	Confident	89.3	Confident	59 Å²	59	49.4 Å²	49.4	38%	0.383	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.5	-166.8	24.4	-34.4	0	0	0	114.2	T143 F204	P138-T143 VanDerWaalsContact O-CG2 3.22Å; P138-T143 WeakPolarHBondContact O-CG2 3.38Å; P138-F204 WeakPolarHBondContact O-CZ 3.41Å
139	R	76.3	Confident	89.1	Confident	88 Å²	88	53 Å²	53	33%	0.332	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	21.4	178.7	-64.1	-168.1	-173.3	154.7	-5.1	114.3	G137 E191 F204	G137-R139 PolarHBondContact O-N 3.39Å; R139-E191 IonicContact CZ-OE1 3.41Å; R139-E191 IonicContact NH2-OE1 2.74Å; R139-E191 PolarHBondContact NH2-OE1 3.15Å; R139-F204 VanDerWaalsContact C-CE1 3.41Å; R139-F204 VanDerWaalsContact CA-CE1 3.45Å; R139-F204 HydrophobicContact CB-CE1 4.36Å
140	S	79.7	Confident	89	Confident	20 Å²	20	57.2 Å²	57.2	14%	0.14	28%	0.278	C	S	.	.	S	Bend	trans	-80.3	154.2	179	81.6	0	0	0	0	112.4	G137 E142 T143 F144 F204	G137-S140 WeakPolarHBondContact O-CB 3.38Å; G137-S140 PolarHBondContact O-N 3.15Å; G137-S140 VanDerWaalsContact O-N 3.12Å; S140-E142 PolarHBondContact O-N 3.36Å; S140-E142 PolarHBondContact OG-N 3.47Å; S140-T143 WeakPolarHBondContact O-CA 3.5Å; S140-T143 WeakPolarHBondContact O-CB 3.08Å; S140-T143 PolarHBondContact O-N 2.93Å; S140-T143 PolarHBondContact OG-N 3Å; S140-T143 PolarHBondContact OG-OG1 3.19Å; S140-F144 PolarHBondContact O-N 3.03Å; S140-F204 WeakPolarHBondContact O-CE1 3.34Å
141	H	81.1	Confident	88.9	Confident	74 Å²	74	60.6 Å²	60.6	34%	0.343	30%	0.298	S	S	.	.	H	α-helix	trans	-56.5	-32.6	173.5	-172.1	83.6	0	0	0	112.8	R145	H141-R145 PolarHBondContact NE2-NE 3.41Å; H141-R145 VanDerWaalsContact NE2-NE 3.11Å; H141-R145 PolarHBondContact NE2-NH2 3.21Å; H141-R145 PolarHBondContact O-N 2.95Å
142	E	83.9	Confident	88.7	Confident	115 Å²	115	63.5 Å²	63.5	54%	0.537	31%	0.314	S	S	.	.	H	α-helix	trans	-68.6	-43.7	174.8	-68.3	175.7	-156.3	0	0	110.9	N136 S140 F144 R145 D146	N136-E142 PolarHBondContact ND2-OE2 3.45Å; S140-E142 PolarHBondContact O-N 3.36Å; S140-E142 PolarHBondContact OG-N 3.47Å; E142-F144 VanDerWaalsContact C-N 3.34Å; E142-F144 PolarHBondContact O-N 3.39Å; E142-R145 PolarHBondContact O-N 3.36Å; E142-D146 PolarHBondContact O-N 3.33Å
143	T	85.4	Confident	88.5	Confident	14 Å²	14	67.2 Å²	67.2	9%	0.086	32%	0.324	C	S	.	.	H	α-helix	trans	-63.4	-39.8	175.3	-48.9	0	0	0	0	112	G137 P138 S140 R145 D146 M147 F163 F204	G137-T143 PolarHBondContact O-OG1 3.04Å; P138-T143 VanDerWaalsContact O-CG2 3.22Å; P138-T143 WeakPolarHBondContact O-CG2 3.38Å; S140-T143 WeakPolarHBondContact O-CA 3.5Å; S140-T143 WeakPolarHBondContact O-CB 3.08Å; S140-T143 PolarHBondContact O-N 2.93Å; S140-T143 PolarHBondContact OG-N 3Å; S140-T143 PolarHBondContact OG-OG1 3.19Å; T143-R145 VanDerWaalsContact C-N 3.3Å; T143-R145 PolarHBondContact O-N 3.33Å; T143-D146 PolarHBondContact O-N 2.99Å; T143-D146 VanDerWaalsContact O-N 3.14Å; T143-M147 HydrophobicContact CG2-CG 4.41Å; T143-M147 HydrophobicContact CG2-SD 4.05Å; T143-M147 VanDerWaalsContact O-CG 3.26Å; T143-M147 WeakPolarHBondContact O-CG 3.44Å; T143-M147 PolarHBondContact O-N 3.47Å; T143-F163 HydrophobicContact CG2-CE2 4.13Å; T143-F163 HydrophobicContact CG2-CZ 3.82Å; T143-F204 HydrophobicContact CG2-CZ 4.37Å
144	F	88.9	Confident	88.5	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.009	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-49	174.4	-176.2	-82.4	0	0	0	110.8	S140 E142 D146 M147 D148 L155 V201 F204	S140-F144 PolarHBondContact O-N 3.03Å; E142-F144 VanDerWaalsContact C-N 3.34Å; E142-F144 PolarHBondContact O-N 3.39Å; F144-D146 VanDerWaalsContact C-N 3.3Å; F144-D146 PolarHBondContact O-N 2.65Å; F144-M147 WeakPolarHBondContact O-CB 3.47Å; F144-M147 PolarHBondContact O-N 2.9Å; F144-M147 VanDerWaalsContact O-N 3.07Å; F144-D148 HydrophobicContact CD1-CB 4.28Å; F144-D148 HydrophobicContact CE1-CB 3.89Å; F144-D148 WeakPolarHBondContact O-CB 3.41Å; F144-D148 PolarHBondContact O-N 3.37Å; F144-L155 HydrophobicContact CD2-CD1 3.81Å; F144-L155 HydrophobicContact CD2-CD2 4.31Å; F144-L155 HydrophobicContact CD2-CG 3.99Å; F144-L155 HydrophobicContact CE1-CD2 4.49Å; F144-L155 HydrophobicContact CE2-CD1 3.77Å; F144-L155 HydrophobicContact CE2-CD2 4Å; F144-L155 HydrophobicContact CE2-CG 3.5Å; F144-L155 VanDerWaalsContact CE2-CG 3.5Å; F144-L155 HydrophobicContact CZ-CD2 4.08Å; F144-L155 HydrophobicContact CZ-CG 3.93Å; F144-V201 HydrophobicContact CD1-CG2 3.75Å; F144-V201 HydrophobicContact CD2-CG2 4.13Å; F144-V201 HydrophobicContact CE1-CG2 3.34Å; F144-V201 HydrophobicContact CE2-CB 4.25Å; F144-V201 HydrophobicContact CE2-CG2 3.71Å; F144-V201 HydrophobicContact CG-CG2 4.14Å; F144-V201 HydrophobicContact CZ-CB 4.29Å; F144-V201 HydrophobicContact CZ-CG2 3.31Å; F144-F204 HydrophobicContact CB-CD1 3.86Å; F144-F204 HydrophobicContact CB-CE1 3.63Å; F144-F204 HydrophobicContact CB-CZ 4.22Å; F144-F204 HydrophobicContact CD2-CB 3.78Å; F144-F204 AromaticContact CD2-CD1 3.65Å; F144-F204 HydrophobicContact CD2-CD1 3.65Å; F144-F204 HydrophobicContact CD2-CD2 4.15Å; F144-F204 HydrophobicContact CD2-CE1 4.14Å; F144-F204 AromaticContact CD2-CG 3.61Å; F144-F204 HydrophobicContact CD2-CG 3.61Å; F144-F204 HydrophobicContact CE2-CB 4.11Å; F144-F204 HydrophobicContact CE2-CG 4.35Å; F144-F204 HydrophobicContact CG-CD1 4.24Å; F144-F204 HydrophobicContact CG-CE1 4.41Å
145	R	88.8	Confident	88.5	Confident	144 Å²	144	65.2 Å²	65.2	54%	0.543	31%	0.313	S	S	.	.	H	α-helix	trans	-63.1	-35.1	177.6	-75.2	-177.6	173.3	169.4	5.4	113.1	H141 E142 T143 M147	H141-R145 PolarHBondContact NE2-NE 3.41Å; H141-R145 VanDerWaalsContact NE2-NE 3.11Å; H141-R145 PolarHBondContact NE2-NH2 3.21Å; H141-R145 PolarHBondContact O-N 2.95Å; E142-R145 PolarHBondContact O-N 3.36Å; T143-R145 VanDerWaalsContact C-N 3.3Å; T143-R145 PolarHBondContact O-N 3.33Å; R145-M147 PolarHBondContact O-N 3.34Å
146	D	89.9	Confident	88.7	Confident	116 Å²	116	62.6 Å²	62.6	62%	0.62	30%	0.303	S	S	*	.	H	α-helix	trans	-69	-23.8	175.8	-70.6	-17.1	0	0	0	112.3	E142 T143 F144	E142-D146 PolarHBondContact O-N 3.33Å; T143-D146 PolarHBondContact O-N 2.99Å; T143-D146 VanDerWaalsContact O-N 3.14Å; F144-D146 VanDerWaalsContact C-N 3.3Å; F144-D146 PolarHBondContact O-N 2.65Å
147	M	92.2	Very high	89.1	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.059	31%	0.307	C	S	.	.	H	α-helix	trans	-89.9	-36.9	179	-68.2	174.5	70.2	0	0	113.3	T143 F144 R145 L149 L155 E159 V160 F163 F204	T143-M147 HydrophobicContact CG2-CG 4.41Å; T143-M147 HydrophobicContact CG2-SD 4.05Å; T143-M147 VanDerWaalsContact O-CG 3.26Å; T143-M147 WeakPolarHBondContact O-CG 3.44Å; T143-M147 PolarHBondContact O-N 3.47Å; F144-M147 WeakPolarHBondContact O-CB 3.47Å; F144-M147 PolarHBondContact O-N 2.9Å; F144-M147 VanDerWaalsContact O-N 3.07Å; R145-M147 PolarHBondContact O-N 3.34Å; M147-L149 PolarHBondContact O-N 2.72Å; M147-L149 VanDerWaalsContact O-N 3.08Å; M147-L155 HydrophobicContact CB-CD1 4.36Å; M147-L155 HydrophobicContact CB-CD2 3.6Å; M147-L155 HydrophobicContact CE-CD1 3.81Å; M147-L155 HydrophobicContact SD-CD1 4.19Å; M147-E159 WeakPolarHBondContact O-CB 2.97Å; M147-E159 WeakPolarHBondContact O-CG 3.47Å; M147-V160 HydrophobicContact CE-CB 4.34Å; M147-V160 HydrophobicContact CE-CG1 4.39Å; M147-V160 HydrophobicContact CE-CG2 3.88Å; M147-F163 HydrophobicContact CE-CB 4.21Å; M147-F163 HydrophobicContact CE-CD1 4.07Å; M147-F163 HydrophobicContact CE-CG 4.17Å; M147-F163 HydrophobicContact CG-CB 3.92Å; M147-F163 HydrophobicContact CG-CD1 4.12Å; M147-F163 HydrophobicContact CG-CD2 3.45Å; M147-F163 VanDerWaalsContact CG-CD2 3.45Å; M147-F163 HydrophobicContact CG-CE2 3.94Å; M147-F163 HydrophobicContact CG-CG 3.55Å; M147-F163 HydrophobicContact CG-CZ 4.45Å; M147-F163 HydrophobicContact SD-CD1 4.04Å; M147-F163 HydrophobicContact SD-CD2 4.36Å; M147-F163 HydrophobicContact SD-CE1 4.26Å; M147-F163 HydrophobicContact SD-CG 4.09Å; M147-F204 HydrophobicContact CE-CE2 4.27Å; M147-F204 HydrophobicContact SD-CE2 3.67Å; M147-F204 HydrophobicContact SD-CZ 3.84Å
148	D	94.4	Very high	89.6	Confident	9 Å²	9	72.1 Å²	72.1	5%	0.048	34%	0.342	C	S	.	.			trans	-72.8	91.8	177.9	-179.3	-0.4	0	0	0	109.8	F144 N150 D151 D152 W153 L155	F144-D148 HydrophobicContact CD1-CB 4.28Å; F144-D148 HydrophobicContact CE1-CB 3.89Å; F144-D148 WeakPolarHBondContact O-CB 3.41Å; F144-D148 PolarHBondContact O-N 3.37Å; D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact OD1-OD1 2.76Å; D148-D151 VanDerWaalsContact OD1-CA 3.27Å; D148-D151 WeakPolarHBondContact OD1-CA 3.31Å; D148-D151 PolarHBondContact OD1-N 2.86Å; D148-D152 PolarHBondContact OD1-N 3.47Å; D148-D152 VanDerWaalsContact OD1-N 3.15Å; D148-D152 PolarHBondContact OD2-N 2.71Å; D148-W153 VanDerWaalsContact OD2-CA 3.3Å; D148-W153 WeakPolarHBondContact OD2-CA 3.35Å; D148-W153 PolarHBondContact OD2-N 3.45Å; D148-L155 HydrophobicContact CB-CD2 3.95Å
149	L	94.8	Very high	90.6	Very high	104 Å²	104	69.9 Å²	69.9	55%	0.545	33%	0.326	S	S	.	.	S	Bend	trans	-81.6	-16.3	-171.6	-64.4	179.4	0	0	0	112.5	M147 E159	M147-L149 PolarHBondContact O-N 2.72Å; M147-L149 VanDerWaalsContact O-N 3.08Å; L149-E159 HydrophobicContact CB-CG 4.19Å; L149-E159 HydrophobicContact CD1-CG 4.26Å; L149-E159 HydrophobicContact CG-CG 4.12Å; L149-E159 PolarHBondContact N-OE1 2.73Å
150	N	95.6	Very high	91.4	Very high	89 Å²	89	66 Å²	66	48%	0.476	31%	0.312	S	S	.	.	S	Bend	trans	-110.5	1.6	-177.5	73.1	8.4	0	0	0	113.3	D148 D152 E159	D148-N150 VanDerWaalsContact C-N 3.32Å; D148-N150 PolarHBondContact OD1-OD1 2.76Å; N150-D152 VanDerWaalsContact C-N 3.25Å; N150-D152 PolarHBondContact ND2-OD2 3.12Å; N150-D152 VanDerWaalsContact ND2-OD2 3.11Å; N150-D152 PolarHBondContact O-N 3.4Å; N150-D152 VanDerWaalsContact OD1-CB 3.23Å; N150-D152 WeakPolarHBondContact OD1-CB 3.39Å; N150-D152 PolarHBondContact OD1-N 2.92Å; N150-D152 PolarHBondContact OD1-OD1 2.91Å; N150-D152 VanDerWaalsContact OD1-OD1 3.04Å; N150-D152 PolarHBondContact OD1-OD2 2.83Å; N150-E159 PolarHBondContact N-OE1 2.99Å
151	D	94.3	Very high	91.9	Very high	124 Å²	124	68.9 Å²	68.9	66%	0.663	32%	0.322	S	S	*	.			trans	56.9	32	-179.9	-66.6	-59.7	0	0	0	113.5	D148	D148-D151 VanDerWaalsContact OD1-CA 3.27Å; D148-D151 WeakPolarHBondContact OD1-CA 3.31Å; D148-D151 PolarHBondContact OD1-N 2.86Å
152	D	95.3	Very high	92.3	Very high	62 Å²	62	70.2 Å²	70.2	33%	0.332	33%	0.328	S	S	.	.	S	Bend	trans	-92.2	6	-178.6	80.6	-0	0	0	0	114.2	D148 N150 K154	D148-D152 PolarHBondContact OD1-N 3.47Å; D148-D152 VanDerWaalsContact OD1-N 3.15Å; D148-D152 PolarHBondContact OD2-N 2.71Å; N150-D152 VanDerWaalsContact C-N 3.25Å; N150-D152 PolarHBondContact ND2-OD2 3.12Å; N150-D152 VanDerWaalsContact ND2-OD2 3.11Å; N150-D152 PolarHBondContact O-N 3.4Å; N150-D152 VanDerWaalsContact OD1-CB 3.23Å; N150-D152 WeakPolarHBondContact OD1-CB 3.39Å; N150-D152 PolarHBondContact OD1-N 2.92Å; N150-D152 PolarHBondContact OD1-OD1 2.91Å; N150-D152 VanDerWaalsContact OD1-OD1 3.04Å; N150-D152 PolarHBondContact OD1-OD2 2.83Å; D152-K154 VanDerWaalsContact C-N 3.26Å; D152-K154 PolarHBondContact O-N 2.82Å; D152-K154 WeakPolarHBondContact OD1-CG 3.39Å; D152-K154 PolarHBondContact OD1-N 3.43Å; D152-K154 WeakPolarHBondContact OD2-CE 3.49Å
153	W	91.2	Very high	92.6	Very high	155 Å²	155	66.5 Å²	66.5	59%	0.587	31%	0.31	S	S	*	.	S	Bend	trans	65.3	23.9	176.1	-67.1	67.7	0	0	0	114.4	D148 V201	D148-W153 VanDerWaalsContact OD2-CA 3.3Å; D148-W153 WeakPolarHBondContact OD2-CA 3.35Å; D148-W153 PolarHBondContact OD2-N 3.45Å; W153-V201 HydrophobicContact CE3-CG2 3.86Å
154	K	95	Very high	92.6	Very high	61 Å²	61	67.1 Å²	67.1	27%	0.265	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	154.3	173.4	57	179.3	-175.3	164.5	0	109.7	D152 F198 I199	D152-K154 VanDerWaalsContact C-N 3.26Å; D152-K154 PolarHBondContact O-N 2.82Å; D152-K154 WeakPolarHBondContact OD1-CG 3.39Å; D152-K154 PolarHBondContact OD1-N 3.43Å; D152-K154 WeakPolarHBondContact OD2-CE 3.49Å; K154-F198 HydrophobicContact CB-CB 4.05Å; K154-F198 HydrophobicContact CD-CB 3.96Å; K154-F198 HydrophobicContact CD-CD1 3.67Å; K154-F198 HydrophobicContact CD-CD2 4.15Å; K154-F198 HydrophobicContact CD-CE1 4.19Å; K154-F198 HydrophobicContact CD-CG 3.66Å; K154-F198 HydrophobicContact CG-CB 4.32Å; K154-F198 HydrophobicContact CG-CD1 4.01Å; K154-F198 HydrophobicContact CG-CG 4.29Å; K154-I199 CarbonylContact C-O 3.58Å; K154-I199 WeakPolarHBondContact CA-O 3.3Å
155	L	96	Very high	92.5	Very high	1 Å²	1	71.8 Å²	71.8	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	121.5	-178.5	-56.8	174.3	0	0	0	109.8	F144 M147 D148 V160 F188 F198 I199 F204	F144-L155 HydrophobicContact CD2-CD1 3.81Å; F144-L155 HydrophobicContact CD2-CD2 4.31Å; F144-L155 HydrophobicContact CD2-CG 3.99Å; F144-L155 HydrophobicContact CE1-CD2 4.49Å; F144-L155 HydrophobicContact CE2-CD1 3.77Å; F144-L155 HydrophobicContact CE2-CD2 4Å; F144-L155 HydrophobicContact CE2-CG 3.5Å; F144-L155 VanDerWaalsContact CE2-CG 3.5Å; F144-L155 HydrophobicContact CZ-CD2 4.08Å; F144-L155 HydrophobicContact CZ-CG 3.93Å; M147-L155 HydrophobicContact CB-CD1 4.36Å; M147-L155 HydrophobicContact CB-CD2 3.6Å; M147-L155 HydrophobicContact CE-CD1 3.81Å; M147-L155 HydrophobicContact SD-CD1 4.19Å; D148-L155 HydrophobicContact CB-CD2 3.95Å; L155-V160 HydrophobicContact CB-CG2 3.98Å; L155-F188 WeakPolarHBondContact O-CZ 3.47Å; L155-F198 CarbonylContact O-C 3.59Å; L155-F198 WeakPolarHBondContact O-CA 3.36Å; L155-I199 HydrophobicContact CB-CB 4.24Å; L155-I199 PolarHBondContact N-O 3.16Å; L155-I199 PolarHBondContact O-N 3.44Å; L155-F204 HydrophobicContact CD1-CD2 3.53Å; L155-F204 HydrophobicContact CD1-CE2 3.73Å; L155-F204 HydrophobicContact CD1-CG 4.3Å
156	S	96.6	Very high	92.4	Very high	17 Å²	17	71 Å²	71	12%	0.119	33%	0.334	C	S	.	.			trans	-81.4	160.1	168.9	70	0	0	0	0	111.6	Q158 E159 V160	S156-Q158 PolarHBondContact O-N 2.88Å; S156-Q158 VanDerWaalsContact O-N 3.13Å; S156-E159 VanDerWaalsContact CB-OE2 3.28Å; S156-E159 WeakPolarHBondContact CB-OE2 3.35Å; S156-E159 PolarHBondContact N-OE2 2.8Å; S156-E159 PolarHBondContact O-N 3.12Å; S156-E159 VanDerWaalsContact O-N 3.15Å; S156-E159 WeakPolarHBondContact OG-CG 3.04Å; S156-E159 PolarHBondContact OG-N 2.81Å; S156-E159 PolarHBondContact OG-OE2 3.19Å; S156-V160 WeakPolarHBondContact O-CG2 3.26Å; S156-V160 PolarHBondContact O-N 3.03Å
157	R	94.6	Very high	92.1	Very high	90 Å²	90	67.9 Å²	67.9	34%	0.34	32%	0.315	S	S	.	.	H	α-helix	trans	-55.1	-32.5	173.5	-67.4	173.7	-172	-92	-7.9	112.7	K161 V184 E185 F188	R157-K161 WeakPolarHBondContact O-CB 3.39Å; R157-K161 PolarHBondContact O-N 3.5Å; R157-V184 HydrophobicContact CB-CG1 4.07Å; R157-V184 HydrophobicContact CG-CG1 4.27Å; R157-E185 IonicContact CZ-OE1 3.12Å; R157-E185 IonicContact CZ-OE2 3.82Å; R157-E185 IonicContact NH1-OE1 3.89Å; R157-E185 PolarHBondContact NH1-OE1 3.41Å; R157-E185 IonicContact NH1-OE2 3.79Å; R157-E185 PolarHBondContact NH1-OE2 3.05Å; R157-F188 HydrophobicContact CB-CE2 4.22Å; R157-F188 HydrophobicContact CB-CZ 4.28Å; R157-F188 HydrophobicContact CG-CD1 4.04Å; R157-F188 HydrophobicContact CG-CD2 3.86Å; R157-F188 HydrophobicContact CG-CE1 3.82Å; R157-F188 HydrophobicContact CG-CE2 3.65Å; R157-F188 HydrophobicContact CG-CG 4.06Å; R157-F188 HydrophobicContact CG-CZ 3.64Å; R157-F188 VanDerWaalsContact N-CZ 3.34Å
158	Q	94.1	Very high	91.6	Very high	159 Å²	159	69.4 Å²	69.4	74%	0.743	32%	0.322	S	S	*	.	H	α-helix	trans	-71	-41	-178.4	-69.1	160.8	-22.3	0	0	111.2	S156 H162	S156-Q158 PolarHBondContact O-N 2.88Å; S156-Q158 VanDerWaalsContact O-N 3.13Å; Q158-H162 VanDerWaalsContact O-CB 3.3Å; Q158-H162 WeakPolarHBondContact O-CB 3.21Å; Q158-H162 PolarHBondContact O-N 3.02Å
159	E	94.7	Very high	91	Very high	12 Å²	12	73.7 Å²	73.7	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-66.9	-47.4	175.9	-77.2	159.6	147.7	0	0	111.7	M147 L149 N150 S156 K161 H162 F163	M147-E159 WeakPolarHBondContact O-CB 2.97Å; M147-E159 WeakPolarHBondContact O-CG 3.47Å; L149-E159 HydrophobicContact CB-CG 4.19Å; L149-E159 HydrophobicContact CD1-CG 4.26Å; L149-E159 HydrophobicContact CG-CG 4.12Å; L149-E159 PolarHBondContact N-OE1 2.73Å; N150-E159 PolarHBondContact N-OE1 2.99Å; S156-E159 VanDerWaalsContact CB-OE2 3.28Å; S156-E159 WeakPolarHBondContact CB-OE2 3.35Å; S156-E159 PolarHBondContact N-OE2 2.8Å; S156-E159 PolarHBondContact O-N 3.12Å; S156-E159 VanDerWaalsContact O-N 3.15Å; S156-E159 WeakPolarHBondContact OG-CG 3.04Å; S156-E159 PolarHBondContact OG-N 2.81Å; S156-E159 PolarHBondContact OG-OE2 3.19Å; E159-K161 VanDerWaalsContact C-N 3.33Å; E159-K161 PolarHBondContact O-N 3.31Å; E159-H162 WeakPolarHBondContact O-CB 3.46Å; E159-H162 PolarHBondContact O-N 3.42Å; E159-H162 VanDerWaalsContact O-N 3.15Å; E159-F163 WeakPolarHBondContact O-CB 3.28Å; E159-F163 PolarHBondContact O-N 3.49Å
160	V	92.2	Very high	90.3	Very high	5 Å²	5	75.6 Å²	75.6	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-60.3	-44.5	175.5	179.4	0	0	0	0	110.8	M147 L155 S156 H162 F163 L164 V184 I187 F188	M147-V160 HydrophobicContact CE-CB 4.34Å; M147-V160 HydrophobicContact CE-CG1 4.39Å; M147-V160 HydrophobicContact CE-CG2 3.88Å; L155-V160 HydrophobicContact CB-CG2 3.98Å; S156-V160 WeakPolarHBondContact O-CG2 3.26Å; S156-V160 PolarHBondContact O-N 3.03Å; V160-H162 VanDerWaalsContact C-N 3.34Å; V160-H162 PolarHBondContact O-N 3.35Å; V160-F163 PolarHBondContact O-N 3.03Å; V160-L164 HydrophobicContact CG1-CD1 4.11Å; V160-L164 HydrophobicContact CG1-CG 4.44Å; V160-L164 WeakPolarHBondContact O-CG 3.4Å; V160-L164 PolarHBondContact O-N 3.22Å; V160-V184 HydrophobicContact CG1-CG2 4.36Å; V160-I187 HydrophobicContact CG1-CD1 4.08Å; V160-F188 HydrophobicContact CB-CE2 4.08Å; V160-F188 HydrophobicContact CG1-CE2 4.5Å; V160-F188 HydrophobicContact CG2-CE2 3.75Å; V160-F188 HydrophobicContact CG2-CZ 4.11Å
161	K	90.9	Very high	89.2	Confident	81 Å²	81	77.1 Å²	77.1	35%	0.352	35%	0.35	S	S	.	.	H	α-helix	trans	-59.8	-44	175	-176.8	175.3	-177.9	169.2	0	112	R157 E159 K165 E181 V184	R157-K161 WeakPolarHBondContact O-CB 3.39Å; R157-K161 PolarHBondContact O-N 3.5Å; E159-K161 VanDerWaalsContact C-N 3.33Å; E159-K161 PolarHBondContact O-N 3.31Å; K161-K165 WeakPolarHBondContact O-CB 3.45Å; K161-K165 PolarHBondContact O-N 3.16Å; K161-E181 WeakPolarHBondContact CE-OE1 3.34Å; K161-E181 IonicContact NZ-OE1 3.8Å; K161-E181 PolarHBondContact NZ-OE1 3.27Å; K161-V184 HydrophobicContact CB-CG2 3.93Å; K161-V184 HydrophobicContact CG-CG2 4.46Å
162	H	90.4	Very high	88.2	Confident	103 Å²	103	74.5 Å²	74.5	48%	0.477	35%	0.352	S	S	.	.	H	α-helix	trans	-62.1	-46.2	179.3	-177.6	82.4	0	0	0	111.2	Q158 E159 V160 K165 K166	Q158-H162 VanDerWaalsContact O-CB 3.3Å; Q158-H162 WeakPolarHBondContact O-CB 3.21Å; Q158-H162 PolarHBondContact O-N 3.02Å; E159-H162 WeakPolarHBondContact O-CB 3.46Å; E159-H162 PolarHBondContact O-N 3.42Å; E159-H162 VanDerWaalsContact O-N 3.15Å; V160-H162 VanDerWaalsContact C-N 3.34Å; V160-H162 PolarHBondContact O-N 3.35Å; H162-K165 PolarHBondContact O-N 2.93Å; H162-K166 PolarHBondContact O-N 3.3Å; H162-K166 VanDerWaalsContact O-N 3.15Å
163	F	89.5	Confident	87.1	Confident	37 Å²	37	78.1 Å²	78.1	16%	0.162	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-51.1	177.5	179.9	-96.6	0	0	0	112.1	T143 M147 E159 V160 K165 K166 E167	T143-F163 HydrophobicContact CG2-CE2 4.13Å; T143-F163 HydrophobicContact CG2-CZ 3.82Å; M147-F163 HydrophobicContact CE-CB 4.21Å; M147-F163 HydrophobicContact CE-CD1 4.07Å; M147-F163 HydrophobicContact CE-CG 4.17Å; M147-F163 HydrophobicContact CG-CB 3.92Å; M147-F163 HydrophobicContact CG-CD1 4.12Å; M147-F163 HydrophobicContact CG-CD2 3.45Å; M147-F163 VanDerWaalsContact CG-CD2 3.45Å; M147-F163 HydrophobicContact CG-CE2 3.94Å; M147-F163 HydrophobicContact CG-CG 3.55Å; M147-F163 HydrophobicContact CG-CZ 4.45Å; M147-F163 HydrophobicContact SD-CD1 4.04Å; M147-F163 HydrophobicContact SD-CD2 4.36Å; M147-F163 HydrophobicContact SD-CE1 4.26Å; M147-F163 HydrophobicContact SD-CG 4.09Å; E159-F163 WeakPolarHBondContact O-CB 3.28Å; E159-F163 PolarHBondContact O-N 3.49Å; V160-F163 PolarHBondContact O-N 3.03Å; F163-K165 VanDerWaalsContact C-N 3.32Å; F163-K165 PolarHBondContact O-N 3.4Å; F163-K166 WeakPolarHBondContact O-CB 3.18Å; F163-K166 PolarHBondContact O-N 2.99Å; F163-K166 VanDerWaalsContact O-N 3.15Å; F163-E167 HydrophobicContact CD1-CG 4.32Å; F163-E167 HydrophobicContact CE1-CG 3.8Å; F163-E167 HydrophobicContact CE2-CG 4.26Å; F163-E167 HydrophobicContact CZ-CG 3.77Å; F163-E167 PolarHBondContact O-N 3.08Å
164	L	86.4	Confident	86	Confident	27 Å²	27	74.1 Å²	74.1	14%	0.141	36%	0.357	C	S	.	.	H	α-helix	trans	-58.7	-43.8	179.1	-72.8	175.3	0	0	0	111.8	V160 K166 E167 F168 M183 V184 I187	V160-L164 HydrophobicContact CG1-CD1 4.11Å; V160-L164 HydrophobicContact CG1-CG 4.44Å; V160-L164 WeakPolarHBondContact O-CG 3.4Å; V160-L164 PolarHBondContact O-N 3.22Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 3.45Å; L164-E167 PolarHBondContact O-N 3.43Å; L164-F168 WeakPolarHBondContact O-CB 3.34Å; L164-F168 WeakPolarHBondContact O-CD2 3.48Å; L164-F168 PolarHBondContact O-N 2.7Å; L164-M183 HydrophobicContact CD1-CB 4.27Å; L164-V184 HydrophobicContact CD1-CG2 3.81Å; L164-I187 HydrophobicContact CD1-CD1 3.86Å
165	K	86.1	Confident	84.5	Confident	99 Å²	99	75.6 Å²	75.6	43%	0.43	37%	0.373	S	S	.	.	H	α-helix	trans	-57.4	-46.8	176.8	-179.2	177.9	173.8	179.9	0	111.6	K161 H162 F163 F168 E169	K161-K165 WeakPolarHBondContact O-CB 3.45Å; K161-K165 PolarHBondContact O-N 3.16Å; H162-K165 PolarHBondContact O-N 2.93Å; F163-K165 VanDerWaalsContact C-N 3.32Å; F163-K165 PolarHBondContact O-N 3.4Å; K165-F168 PolarHBondContact O-N 2.88Å; K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 WeakPolarHBondContact O-CG 3.37Å; K165-E169 PolarHBondContact O-N 2.82Å
166	K	86.2	Confident	83	Confident	129 Å²	129	82.6 Å²	82.6	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-63.1	-41.6	179.1	-175.3	-175.4	175.5	-171.6	0	112	H162 F163 L164 E169 K170	H162-K166 PolarHBondContact O-N 3.3Å; H162-K166 VanDerWaalsContact O-N 3.15Å; F163-K166 WeakPolarHBondContact O-CB 3.18Å; F163-K166 PolarHBondContact O-N 2.99Å; F163-K166 VanDerWaalsContact O-N 3.15Å; L164-K166 VanDerWaalsContact C-N 3.32Å; L164-K166 PolarHBondContact O-N 3.45Å; K166-E169 PolarHBondContact O-N 3.14Å; K166-K170 WeakPolarHBondContact O-CB 3.36Å; K166-K170 PolarHBondContact O-N 3.38Å
167	E	82.9	Confident	81.5	Confident	50 Å²	50	84.1 Å²	84.1	23%	0.234	42%	0.417	C	S	.	.	H	α-helix	trans	-67.4	-37.8	177.4	-75.7	-56.4	123.9	0	0	112.4	F163 L164 K170 H171	F163-E167 HydrophobicContact CD1-CG 4.32Å; F163-E167 HydrophobicContact CE1-CG 3.8Å; F163-E167 HydrophobicContact CE2-CG 4.26Å; F163-E167 HydrophobicContact CZ-CG 3.77Å; F163-E167 PolarHBondContact O-N 3.08Å; L164-E167 PolarHBondContact O-N 3.43Å; E167-K170 PolarHBondContact O-N 2.81Å; E167-K170 IonicContact OE1-NZ 3.45Å; E167-K170 IonicContact OE2-NZ 3Å; E167-H171 PolarHBondContact O-N 3.27Å; E167-H171 PolarHBondContact O-ND1 2.95Å; E167-H171 IonicContact OE2-CE1 3.88Å; E167-H171 PolarHBondContact OE2-CE1 2.81Å; E167-H171 IonicContact OE2-ND1 3.33Å
168	F	81.9	Confident	80.3	Confident	43 Å²	43	84 Å²	84	19%	0.189	43%	0.427	C	S	.	.	H	α-helix	trans	-65.1	-45.1	175.3	-87.8	-119.3	0	0	0	111.9	L164 K165 K170 H171 G172 Y173 M183	L164-F168 WeakPolarHBondContact O-CB 3.34Å; L164-F168 WeakPolarHBondContact O-CD2 3.48Å; L164-F168 PolarHBondContact O-N 2.7Å; K165-F168 PolarHBondContact O-N 2.88Å; F168-K170 VanDerWaalsContact C-N 3.31Å; F168-K170 PolarHBondContact O-N 2.79Å; F168-H171 CarbonylContact O-C 3.41Å; F168-H171 PolarHBondContact O-N 2.8Å; F168-G172 PolarHBondContact O-N 2.77Å; F168-Y173 HydrophobicContact CD1-CD1 4.42Å; F168-Y173 HydrophobicContact CD1-CD2 4.2Å; F168-Y173 AromaticContact CD1-CG 3.88Å; F168-Y173 HydrophobicContact CD1-CG 3.88Å; F168-Y173 HydrophobicContact CG-CD2 4.46Å; F168-Y173 PolarHBondContact O-N 2.82Å; F168-M183 HydrophobicContact CE2-SD 4.22Å; F168-M183 HydrophobicContact CZ-CE 3.86Å; F168-M183 HydrophobicContact CZ-SD 3.71Å
169	E	83	Confident	79.2	Confident	99 Å²	99	82.1 Å²	82.1	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-60.4	-41.7	176.2	-73.3	173.6	-178.9	0	0	111.5	K165 K166 H171 G172	K165-E169 WeakPolarHBondContact CE-OE1 3.35Å; K165-E169 WeakPolarHBondContact O-CG 3.37Å; K165-E169 PolarHBondContact O-N 2.82Å; K166-E169 PolarHBondContact O-N 3.14Å; E169-H171 VanDerWaalsContact C-N 3.28Å; E169-H171 PolarHBondContact O-N 2.9Å; E169-G172 PolarHBondContact O-N 2.74Å; E169-G172 VanDerWaalsContact O-N 3.17Å
170	K	79	Confident	78	Confident	144 Å²	144	82.5 Å²	82.5	63%	0.626	42%	0.42	S	S	*	.	H	α-helix	trans	-61	-34.5	176.8	-177.6	-175.8	172.5	-165.8	0	112.9	K166 E167 F168	K166-K170 WeakPolarHBondContact O-CB 3.36Å; K166-K170 PolarHBondContact O-N 3.38Å; E167-K170 PolarHBondContact O-N 2.81Å; E167-K170 IonicContact OE1-NZ 3.45Å; E167-K170 IonicContact OE2-NZ 3Å; F168-K170 VanDerWaalsContact C-N 3.31Å; F168-K170 PolarHBondContact O-N 2.79Å
171	H	72.9	Confident	77.2	Confident	122 Å²	122	86.4 Å²	86.4	57%	0.565	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	9.8	179.4	-65.5	89	0	0	0	113.6	E167 F168 E169 Y173	E167-H171 PolarHBondContact O-N 3.27Å; E167-H171 PolarHBondContact O-ND1 2.95Å; E167-H171 IonicContact OE2-CE1 3.88Å; E167-H171 PolarHBondContact OE2-CE1 2.81Å; E167-H171 IonicContact OE2-ND1 3.33Å; F168-H171 CarbonylContact O-C 3.41Å; F168-H171 PolarHBondContact O-N 2.8Å; E169-H171 VanDerWaalsContact C-N 3.28Å; E169-H171 PolarHBondContact O-N 2.9Å; H171-Y173 HydrophobicContact CB-CD2 3.91Å; H171-Y173 HydrophobicContact CB-CE2 3.85Å
172	G	73.6	Confident	76.6	Confident	69 Å²	69	86.7 Å²	86.7	71%	0.711	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	17.1	172.1	0	0	0	0	0	115.2	F168 E169	F168-G172 PolarHBondContact O-N 2.77Å; E169-G172 PolarHBondContact O-N 2.74Å; E169-G172 VanDerWaalsContact O-N 3.17Å
173	Y	71.2	Confident	76.3	Confident	137 Å²	137	85.4 Å²	85.4	54%	0.537	44%	0.441	S	S	.	.			trans	-76.1	149.6	172.7	-67.7	-88.9	0	0	0	111.4	F168 H171	F168-Y173 HydrophobicContact CD1-CD1 4.42Å; F168-Y173 HydrophobicContact CD1-CD2 4.2Å; F168-Y173 AromaticContact CD1-CG 3.88Å; F168-Y173 HydrophobicContact CD1-CG 3.88Å; F168-Y173 HydrophobicContact CG-CD2 4.46Å; F168-Y173 PolarHBondContact O-N 2.82Å; H171-Y173 HydrophobicContact CB-CD2 3.91Å; H171-Y173 HydrophobicContact CB-CE2 3.85Å
174	S	68.9	Low	76.3	Confident	71 Å²	71	84 Å²	84	50%	0.497	44%	0.435	S	S	.	.			trans	-70.7	133.6	-175.9	-179.3	0	0	0	0	112	N176 D177	S174-N176 PolarHBondContact O-N 2.93Å; S174-N176 VanDerWaalsContact O-N 3.08Å; S174-N176 PolarHBondContact OG-N 2.95Å; S174-D177 VanDerWaalsContact O-CB 3.31Å; S174-D177 WeakPolarHBondContact O-CB 3.41Å; S174-D177 PolarHBondContact O-N 2.83Å
175	P	63.2	Low	76.4	Confident	93 Å²	93	87.7 Å²	87.7	60%	0.604	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-17.5	176.1	-23.2	32.7	0	0	0	115	D177	P175-D177 VanDerWaalsContact C-N 3.29Å
176	N	64.7	Low	76.4	Confident	147 Å²	147	86.8 Å²	86.8	79%	0.786	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.5	179.4	-69.6	-15.2	0	0	0	113.1	S174 T178	S174-N176 PolarHBondContact O-N 2.93Å; S174-N176 VanDerWaalsContact O-N 3.08Å; S174-N176 PolarHBondContact OG-N 2.95Å; N176-T178 PolarHBondContact O-N 2.84Å
177	D	66.1	Low	76.5	Confident	49 Å²	49	83 Å²	83	26%	0.262	44%	0.437	S	S	.	.			trans	-79.2	115.4	179.6	-165.8	-13.6	0	0	0	110.4	S174 P175 H179 H180	S174-D177 VanDerWaalsContact O-CB 3.31Å; S174-D177 WeakPolarHBondContact O-CB 3.41Å; S174-D177 PolarHBondContact O-N 2.83Å; P175-D177 VanDerWaalsContact C-N 3.29Å; D177-H179 VanDerWaalsContact C-N 3.27Å; D177-H179 PolarHBondContact O-N 3Å; D177-H179 WeakPolarHBondContact OD1-CB 3.43Å; D177-H179 IonicContact OD1-CE1 3.77Å; D177-H179 IonicContact OD1-CG 2.65Å; D177-H179 PolarHBondContact OD1-N 3.17Å; D177-H179 IonicContact OD1-ND1 2.63Å; D177-H179 PolarHBondContact OD1-ND1 2.79Å; D177-H179 IonicContact OD2-ND1 3.7Å; D177-H180 PolarHBondContact O-CE1 3.47Å; D177-H180 PolarHBondContact O-ND1 3.2Å
178	T	69.2	Low	76.9	Confident	88 Å²	88	80.8 Å²	80.8	54%	0.54	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0.3	178.5	56.5	0	0	0	0	113.4	N176 H180 E181	N176-T178 PolarHBondContact O-N 2.84Å; T178-H180 PolarHBondContact O-N 3.35Å; T178-H180 VanDerWaalsContact O-N 3.16Å; T178-E181 WeakPolarHBondContact O-CB 3.32Å; T178-E181 PolarHBondContact O-N 2.96Å
179	H	70.2	Confident	77.3	Confident	119 Å²	119	86.4 Å²	86.4	55%	0.551	45%	0.451	S	S	*	.	H	α-helix	trans	-57.1	-32.4	-179.5	-79.9	80.3	0	0	0	112.8	D177 E181 V182 M183	D177-H179 VanDerWaalsContact C-N 3.27Å; D177-H179 PolarHBondContact O-N 3Å; D177-H179 WeakPolarHBondContact OD1-CB 3.43Å; D177-H179 IonicContact OD1-CE1 3.77Å; D177-H179 IonicContact OD1-CG 2.65Å; D177-H179 PolarHBondContact OD1-N 3.17Å; D177-H179 IonicContact OD1-ND1 2.63Å; D177-H179 PolarHBondContact OD1-ND1 2.79Å; D177-H179 IonicContact OD2-ND1 3.7Å; H179-E181 VanDerWaalsContact C-N 3.26Å; H179-E181 PolarHBondContact O-N 3.15Å; H179-V182 PolarHBondContact O-N 3.2Å; H179-M183 HydrophobicContact CB-CE 4.41Å; H179-M183 WeakPolarHBondContact O-CG 3.48Å; H179-M183 PolarHBondContact O-N 2.92Å
180	H	69.6	Low	77.4	Confident	20 Å²	20	86.7 Å²	86.7	9%	0.093	46%	0.456	C	S	.	.	H	α-helix	trans	-65.2	-27.5	177.5	68.2	-84	0	0	0	113.2	D177 T178 V184	D177-H180 PolarHBondContact O-CE1 3.47Å; D177-H180 PolarHBondContact O-ND1 3.2Å; T178-H180 PolarHBondContact O-N 3.35Å; T178-H180 VanDerWaalsContact O-N 3.16Å; H180-V184 WeakPolarHBondContact O-CG2 3.47Å; H180-V184 PolarHBondContact O-N 3.07Å
181	E	74.8	Confident	77.9	Confident	87 Å²	87	81 Å²	81	41%	0.407	43%	0.432	S	S	.	.	H	α-helix	trans	-72.3	-37.9	177.5	-58.2	-168.3	145.8	0	0	111.6	K161 T178 H179 M183 V184	K161-E181 WeakPolarHBondContact CE-OE1 3.34Å; K161-E181 IonicContact NZ-OE1 3.8Å; K161-E181 PolarHBondContact NZ-OE1 3.27Å; T178-E181 WeakPolarHBondContact O-CB 3.32Å; T178-E181 PolarHBondContact O-N 2.96Å; H179-E181 VanDerWaalsContact C-N 3.26Å; H179-E181 PolarHBondContact O-N 3.15Å; E181-M183 VanDerWaalsContact C-N 3.31Å; E181-V184 PolarHBondContact O-N 2.85Å
182	V	79.3	Confident	78.8	Confident	87 Å²	87	76 Å²	76	53%	0.527	41%	0.409	S	S	.	.	H	α-helix	trans	-65.9	-38.4	176.1	-179.3	0	0	0	0	110.6	H179 V184 E185 D186	H179-V182 PolarHBondContact O-N 3.2Å; V182-V184 VanDerWaalsContact C-N 3.32Å; V182-V184 PolarHBondContact O-N 3.03Å; V182-E185 PolarHBondContact O-N 2.63Å; V182-D186 PolarHBondContact O-N 2.9Å
183	M	83.9	Confident	79.6	Confident	77 Å²	77	77.2 Å²	77.2	38%	0.379	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-37.4	177.6	-68.5	176.6	-169.6	0	0	112.7	L164 F168 H179 E181 E185 D186 I187	L164-M183 HydrophobicContact CD1-CB 4.27Å; F168-M183 HydrophobicContact CE2-SD 4.22Å; F168-M183 HydrophobicContact CZ-CE 3.86Å; F168-M183 HydrophobicContact CZ-SD 3.71Å; H179-M183 HydrophobicContact CB-CE 4.41Å; H179-M183 WeakPolarHBondContact O-CG 3.48Å; H179-M183 PolarHBondContact O-N 2.92Å; E181-M183 VanDerWaalsContact C-N 3.31Å; M183-E185 VanDerWaalsContact C-N 3.31Å; M183-E185 PolarHBondContact O-N 3.49Å; M183-D186 PolarHBondContact O-N 3.08Å; M183-I187 WeakPolarHBondContact O-CB 3.31Å; M183-I187 WeakPolarHBondContact O-CD1 3.29Å; M183-I187 WeakPolarHBondContact O-CG1 3.29Å; M183-I187 PolarHBondContact O-N 2.99Å
184	V	88.6	Confident	80.7	Confident	6 Å²	6	75.6 Å²	75.6	4%	0.036	40%	0.397	C	S	.	.	H	α-helix	trans	-59.9	-44.4	178.2	175.5	0	0	0	0	110.6	R157 V160 K161 L164 H180 E181 V182 I187 F188	R157-V184 HydrophobicContact CB-CG1 4.07Å; R157-V184 HydrophobicContact CG-CG1 4.27Å; V160-V184 HydrophobicContact CG1-CG2 4.36Å; K161-V184 HydrophobicContact CB-CG2 3.93Å; K161-V184 HydrophobicContact CG-CG2 4.46Å; L164-V184 HydrophobicContact CD1-CG2 3.81Å; H180-V184 WeakPolarHBondContact O-CG2 3.47Å; H180-V184 PolarHBondContact O-N 3.07Å; E181-V184 PolarHBondContact O-N 2.85Å; V182-V184 VanDerWaalsContact C-N 3.32Å; V182-V184 PolarHBondContact O-N 3.03Å; V184-I187 PolarHBondContact O-N 2.65Å; V184-F188 HydrophobicContact CG1-CD2 4.1Å; V184-F188 HydrophobicContact CG1-CE2 4.19Å; V184-F188 WeakPolarHBondContact O-CD2 3.38Å; V184-F188 PolarHBondContact O-N 2.6Å; V184-F188 VanDerWaalsContact O-N 3.09Å
185	E	88.8	Confident	81.9	Confident	105 Å²	105	80.6 Å²	80.6	49%	0.491	41%	0.409	S	S	.	.	H	α-helix	trans	-65.5	-41.9	-179.8	-67.1	-57.1	130.2	0	0	112.2	R157 V182 M183 F188 K189	R157-E185 IonicContact CZ-OE1 3.12Å; R157-E185 IonicContact CZ-OE2 3.82Å; R157-E185 IonicContact NH1-OE1 3.89Å; R157-E185 PolarHBondContact NH1-OE1 3.41Å; R157-E185 IonicContact NH1-OE2 3.79Å; R157-E185 PolarHBondContact NH1-OE2 3.05Å; V182-E185 PolarHBondContact O-N 2.63Å; M183-E185 VanDerWaalsContact C-N 3.31Å; M183-E185 PolarHBondContact O-N 3.49Å; E185-F188 PolarHBondContact O-N 3.18Å; E185-K189 VanDerWaalsContact O-CB 3.3Å; E185-K189 WeakPolarHBondContact O-CB 3.34Å; E185-K189 PolarHBondContact O-N 3.37Å
186	D	86.8	Confident	83.4	Confident	80 Å²	80	80.2 Å²	80.2	43%	0.428	40%	0.402	S	S	.	.	H	α-helix	trans	-66.7	-36.7	176.8	-74.2	-27.2	0	0	0	112.4	V182 M183 K189 N190	V182-D186 PolarHBondContact O-N 2.9Å; M183-D186 PolarHBondContact O-N 3.08Å; D186-K189 PolarHBondContact O-N 3.01Å; D186-N190 VanDerWaalsContact O-CG 3.3Å; D186-N190 PolarHBondContact O-N 2.93Å; D186-N190 PolarHBondContact O-ND2 2.91Å
187	I	88	Confident	84.8	Confident	50 Å²	50	74.4 Å²	74.4	26%	0.256	38%	0.378	S	S	.	.	H	α-helix	trans	-59.9	-55.5	174.6	-72.4	162.6	0	0	0	109.7	V160 L164 M183 V184 K189 N190 E191 I199	V160-I187 HydrophobicContact CG1-CD1 4.08Å; L164-I187 HydrophobicContact CD1-CD1 3.86Å; M183-I187 WeakPolarHBondContact O-CB 3.31Å; M183-I187 WeakPolarHBondContact O-CD1 3.29Å; M183-I187 WeakPolarHBondContact O-CG1 3.29Å; M183-I187 PolarHBondContact O-N 2.99Å; V184-I187 PolarHBondContact O-N 2.65Å; I187-K189 VanDerWaalsContact C-N 3.27Å; I187-K189 PolarHBondContact O-N 3.33Å; I187-N190 PolarHBondContact O-N 2.72Å; I187-N190 VanDerWaalsContact O-N 3.1Å; I187-E191 HydrophobicContact CG2-CG 4.13Å; I187-E191 WeakPolarHBondContact O-CB 3.16Å; I187-E191 VanDerWaalsContact O-CG 3.25Å; I187-E191 WeakPolarHBondContact O-CG 3.5Å; I187-E191 PolarHBondContact O-N 2.98Å; I187-I199 HydrophobicContact CG2-CD1 3.68Å
188	F	92	Very high	86.2	Confident	3 Å²	3	75 Å²	75	1%	0.013	38%	0.378	C	S	.	.	H	α-helix	trans	-62.5	-37.3	-179.5	-85	-101.6	0	0	0	111.7	L155 R157 V160 V184 E185 N190 D192 G197 I199	L155-F188 WeakPolarHBondContact O-CZ 3.47Å; R157-F188 HydrophobicContact CB-CE2 4.22Å; R157-F188 HydrophobicContact CB-CZ 4.28Å; R157-F188 HydrophobicContact CG-CD1 4.04Å; R157-F188 HydrophobicContact CG-CD2 3.86Å; R157-F188 HydrophobicContact CG-CE1 3.82Å; R157-F188 HydrophobicContact CG-CE2 3.65Å; R157-F188 HydrophobicContact CG-CG 4.06Å; R157-F188 HydrophobicContact CG-CZ 3.64Å; R157-F188 VanDerWaalsContact N-CZ 3.34Å; V160-F188 HydrophobicContact CB-CE2 4.08Å; V160-F188 HydrophobicContact CG1-CE2 4.5Å; V160-F188 HydrophobicContact CG2-CE2 3.75Å; V160-F188 HydrophobicContact CG2-CZ 4.11Å; V184-F188 HydrophobicContact CG1-CD2 4.1Å; V184-F188 HydrophobicContact CG1-CE2 4.19Å; V184-F188 WeakPolarHBondContact O-CD2 3.38Å; V184-F188 PolarHBondContact O-N 2.6Å; V184-F188 VanDerWaalsContact O-N 3.09Å; E185-F188 PolarHBondContact O-N 3.18Å; F188-N190 PolarHBondContact O-N 2.91Å; F188-D192 HydrophobicContact CD1-CB 4.34Å; F188-D192 WeakPolarHBondContact O-CB 3.36Å; F188-D192 PolarHBondContact O-N 2.83Å; F188-G197 VanDerWaalsContact CE1-O 3.3Å; F188-G197 WeakPolarHBondContact CE1-O 3.36Å; F188-I199 HydrophobicContact CD1-CD1 4.28Å; F188-I199 HydrophobicContact CD1-CG1 4.06Å; F188-I199 HydrophobicContact CD2-CD1 3.98Å; F188-I199 HydrophobicContact CE1-CD1 4.12Å; F188-I199 HydrophobicContact CE1-CG1 3.81Å; F188-I199 HydrophobicContact CE2-CD1 3.81Å; F188-I199 HydrophobicContact CE2-CG1 4.4Å; F188-I199 HydrophobicContact CG-CD1 4.21Å; F188-I199 HydrophobicContact CG-CG1 4.46Å; F188-I199 HydrophobicContact CZ-CD1 3.87Å; F188-I199 HydrophobicContact CZ-CG1 3.98Å
189	K	89.9	Confident	87.4	Confident	161 Å²	161	71 Å²	71	70%	0.7	35%	0.353	S	S	*	.	H	α-helix	trans	-59.5	-32.3	177.2	-180	-178	170.2	-166.3	0	113.3	E185 D186 I187	E185-K189 VanDerWaalsContact O-CB 3.3Å; E185-K189 WeakPolarHBondContact O-CB 3.34Å; E185-K189 PolarHBondContact O-N 3.37Å; D186-K189 PolarHBondContact O-N 3.01Å; I187-K189 VanDerWaalsContact C-N 3.27Å; I187-K189 PolarHBondContact O-N 3.33Å
190	N	85.6	Confident	88.5	Confident	105 Å²	105	67 Å²	67	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-97.3	-32.1	-175.8	-63.8	-31.5	0	0	0	113.1	D186 I187 F188	D186-N190 VanDerWaalsContact O-CG 3.3Å; D186-N190 PolarHBondContact O-N 2.93Å; D186-N190 PolarHBondContact O-ND2 2.91Å; I187-N190 PolarHBondContact O-N 2.72Å; I187-N190 VanDerWaalsContact O-N 3.1Å; F188-N190 PolarHBondContact O-N 2.91Å
191	E	87.9	Confident	89.3	Confident	26 Å²	26	67.5 Å²	67.5	12%	0.121	34%	0.343	C	S	.	.	H	α-helix	trans	-104.6	-23.4	-169.8	-50.4	-74.7	176.5	0	0	113.3	R139 I187 E193 I199 E203	R139-E191 IonicContact CZ-OE1 3.41Å; R139-E191 IonicContact NH2-OE1 2.74Å; R139-E191 PolarHBondContact NH2-OE1 3.15Å; I187-E191 HydrophobicContact CG2-CG 4.13Å; I187-E191 WeakPolarHBondContact O-CB 3.16Å; I187-E191 VanDerWaalsContact O-CG 3.25Å; I187-E191 WeakPolarHBondContact O-CG 3.5Å; I187-E191 PolarHBondContact O-N 2.98Å; E191-E193 PolarHBondContact O-N 2.85Å; E191-E193 VanDerWaalsContact O-N 3.09Å; E191-I199 HydrophobicContact CB-CD1 4.08Å; E191-I199 HydrophobicContact CB-CG1 4.4Å; E191-I199 HydrophobicContact CB-CG2 4.49Å; E191-E203 WeakPolarHBondContact O-CB 3.39Å; E191-E203 WeakPolarHBondContact O-CG 3.46Å
192	D	92	Very high	89.9	Confident	17 Å²	17	72.2 Å²	72.2	9%	0.091	36%	0.357	C	S	.	.			trans	-79.1	86.5	173.7	-178.9	-0.8	0	0	0	108.9	F188 K195 D196 G197	F188-D192 HydrophobicContact CD1-CB 4.34Å; F188-D192 WeakPolarHBondContact O-CB 3.36Å; F188-D192 PolarHBondContact O-N 2.83Å; D192-K195 WeakPolarHBondContact OD1-CA 3.49Å; D192-K195 PolarHBondContact OD1-N 2.86Å; D192-D196 PolarHBondContact OD1-N 2.81Å; D192-G197 VanDerWaalsContact OD2-CA 3.27Å; D192-G197 WeakPolarHBondContact OD2-CA 3.23Å; D192-G197 PolarHBondContact OD2-N 3.04Å
193	E	91.4	Very high	90.3	Very high	93 Å²	93	68.4 Å²	68.4	44%	0.435	33%	0.334	S	S	.	.	S	Bend	trans	-69.9	-40.7	-174.4	-73.8	-173.4	172.3	0	0	111.2	E191 E203 H208	E191-E193 PolarHBondContact O-N 2.85Å; E191-E193 VanDerWaalsContact O-N 3.09Å; E193-E203 HydrophobicContact CB-CG 4.31Å; E193-E203 HydrophobicContact CG-CG 4.33Å; E193-E203 PolarHBondContact N-OE1 2.89Å; E193-H208 IonicContact OE1-CE1 3.18Å; E193-H208 PolarHBondContact OE1-CE1 2.97Å; E193-H208 IonicContact OE1-NE2 3.88Å
194	D	93.2	Very high	90.3	Very high	103 Å²	103	65.6 Å²	65.6	55%	0.551	32%	0.319	S	S	*	.	S	Bend	trans	-89.9	-7.9	-175.3	76.4	12.1	0	0	0	114.3	D196 E203	D194-D196 VanDerWaalsContact C-N 3.3Å; D194-D196 VanDerWaalsContact OD1-CB 3.25Å; D194-D196 WeakPolarHBondContact OD1-CB 3.31Å; D194-D196 VanDerWaalsContact OD1-CG 3.28Å; D194-D196 PolarHBondContact OD1-N 2.99Å; D194-E203 PolarHBondContact N-OE1 3.5Å
195	K	94.3	Very high	89.6	Confident	176 Å²	176	68.3 Å²	68.3	77%	0.765	34%	0.336	S	S	*	.			trans	64.2	31.4	175.7	-55.2	179.6	-179.3	176.5	0	113	D192	D192-K195 WeakPolarHBondContact OD1-CA 3.49Å; D192-K195 PolarHBondContact OD1-N 2.86Å
196	D	94.9	Very high	88.7	Confident	85 Å²	85	65.2 Å²	65.2	46%	0.455	33%	0.326	S	S	.	.	S	Bend	trans	-80.4	-7.2	176.3	85.3	-9.8	0	0	0	113.2	D192 D194 F198	D192-D196 PolarHBondContact OD1-N 2.81Å; D194-D196 VanDerWaalsContact C-N 3.3Å; D194-D196 VanDerWaalsContact OD1-CB 3.25Å; D194-D196 WeakPolarHBondContact OD1-CB 3.31Å; D194-D196 VanDerWaalsContact OD1-CG 3.28Å; D194-D196 PolarHBondContact OD1-N 2.99Å; D196-F198 WeakPolarHBondContact OD1-CA 3.41Å; D196-F198 WeakPolarHBondContact OD1-CB 3.37Å; D196-F198 PolarHBondContact OD1-N 2.68Å
197	G	94.7	Very high	87.5	Confident	26 Å²	26	64.3 Å²	64.3	27%	0.268	32%	0.32	S	S	.	.	S	Bend	trans	88	8.1	179.5	0	0	0	0	0	114.2	F188 D192	F188-G197 VanDerWaalsContact CE1-O 3.3Å; F188-G197 WeakPolarHBondContact CE1-O 3.36Å; D192-G197 VanDerWaalsContact OD2-CA 3.27Å; D192-G197 WeakPolarHBondContact OD2-CA 3.23Å; D192-G197 PolarHBondContact OD2-N 3.04Å
198	F	96	Very high	85.8	Confident	61 Å²	61	65.8 Å²	65.8	27%	0.268	33%	0.326	S	S	.	.	S	Bend	trans	-124.3	166.2	175.1	-59.4	-90.3	0	0	0	110.3	K154 L155 D196	K154-F198 HydrophobicContact CB-CB 4.05Å; K154-F198 HydrophobicContact CD-CB 3.96Å; K154-F198 HydrophobicContact CD-CD1 3.67Å; K154-F198 HydrophobicContact CD-CD2 4.15Å; K154-F198 HydrophobicContact CD-CE1 4.19Å; K154-F198 HydrophobicContact CD-CG 3.66Å; K154-F198 HydrophobicContact CG-CB 4.32Å; K154-F198 HydrophobicContact CG-CD1 4.01Å; K154-F198 HydrophobicContact CG-CG 4.29Å; L155-F198 CarbonylContact O-C 3.59Å; L155-F198 WeakPolarHBondContact O-CA 3.36Å; D196-F198 WeakPolarHBondContact OD1-CA 3.41Å; D196-F198 WeakPolarHBondContact OD1-CB 3.37Å; D196-F198 PolarHBondContact OD1-N 2.68Å
199	I	93.5	Very high	83.4	Confident	4 Å²	4	71.9 Å²	71.9	2%	0.021	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106.9	168.9	-59.2	168.1	0	0	0	107.1	K154 L155 I187 F188 E191 E203 F204	K154-I199 CarbonylContact C-O 3.58Å; K154-I199 WeakPolarHBondContact CA-O 3.3Å; L155-I199 HydrophobicContact CB-CB 4.24Å; L155-I199 PolarHBondContact N-O 3.16Å; L155-I199 PolarHBondContact O-N 3.44Å; I187-I199 HydrophobicContact CG2-CD1 3.68Å; F188-I199 HydrophobicContact CD1-CD1 4.28Å; F188-I199 HydrophobicContact CD1-CG1 4.06Å; F188-I199 HydrophobicContact CD2-CD1 3.98Å; F188-I199 HydrophobicContact CE1-CD1 4.12Å; F188-I199 HydrophobicContact CE1-CG1 3.81Å; F188-I199 HydrophobicContact CE2-CD1 3.81Å; F188-I199 HydrophobicContact CE2-CG1 4.4Å; F188-I199 HydrophobicContact CG-CD1 4.21Å; F188-I199 HydrophobicContact CG-CG1 4.46Å; F188-I199 HydrophobicContact CZ-CD1 3.87Å; F188-I199 HydrophobicContact CZ-CG1 3.98Å; E191-I199 HydrophobicContact CB-CD1 4.08Å; E191-I199 HydrophobicContact CB-CG1 4.4Å; E191-I199 HydrophobicContact CB-CG2 4.49Å; I199-E203 HydrophobicContact CG2-CB 3.86Å; I199-F204 HydrophobicContact CG2-CB 3.96Å
200	S	92.4	Very high	80.9	Confident	35 Å²	35	71.6 Å²	71.6	25%	0.245	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	162.3	176.5	67.4	0	0	0	0	111.7	R202 E203 F204	S200-R202 PolarHBondContact O-N 2.71Å; S200-R202 VanDerWaalsContact O-N 3.13Å; S200-E203 VanDerWaalsContact CB-OE2 3.27Å; S200-E203 WeakPolarHBondContact CB-OE2 3.14Å; S200-E203 PolarHBondContact N-OE2 3.32Å; S200-E203 PolarHBondContact O-N 2.85Å; S200-E203 VanDerWaalsContact O-N 3.16Å; S200-E203 WeakPolarHBondContact OG-CG 3.24Å; S200-E203 PolarHBondContact OG-N 3.33Å; S200-E203 PolarHBondContact OG-OE2 3.37Å; S200-F204 WeakPolarHBondContact O-CB 3.48Å; S200-F204 PolarHBondContact O-N 3.05Å
201	V	87.8	Confident	78.5	Confident	30 Å²	30	77.1 Å²	77.1	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-51.9	-36.9	171.3	177.3	0	0	0	0	111.9	F144 W153 T205	F144-V201 HydrophobicContact CD1-CG2 3.75Å; F144-V201 HydrophobicContact CD2-CG2 4.13Å; F144-V201 HydrophobicContact CE1-CG2 3.34Å; F144-V201 HydrophobicContact CE2-CB 4.25Å; F144-V201 HydrophobicContact CE2-CG2 3.71Å; F144-V201 HydrophobicContact CG-CG2 4.14Å; F144-V201 HydrophobicContact CZ-CB 4.29Å; F144-V201 HydrophobicContact CZ-CG2 3.31Å; W153-V201 HydrophobicContact CE3-CG2 3.86Å; V201-T205 HydrophobicContact CG1-CG2 4.33Å; V201-T205 WeakPolarHBondContact O-CB 3.49Å; V201-T205 WeakPolarHBondContact O-CG2 3.31Å; V201-T205 PolarHBondContact O-N 3.25Å; V201-T205 PolarHBondContact O-OG1 3.43Å
202	R	86.1	Confident	78	Confident	187 Å²	187	79.7 Å²	79.7	71%	0.706	40%	0.401	S	S	*	.	H	α-helix	trans	-67.1	-46.9	-178.4	179.8	-176.1	135.5	140	-0.5	111	S200 T205 S206	S200-R202 PolarHBondContact O-N 2.71Å; S200-R202 VanDerWaalsContact O-N 3.13Å; R202-T205 PolarHBondContact O-OG1 2.96Å; R202-S206 WeakPolarHBondContact O-CB 3.31Å; R202-S206 PolarHBondContact O-N 3.27Å; R202-S206 VanDerWaalsContact O-N 3.08Å
203	E	87.9	Confident	77.3	Confident	7 Å²	7	82.9 Å²	82.9	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-64.2	-47	176.8	-74	158.2	142.2	0	0	110.7	E191 E193 D194 I199 S200 T205 S206	E191-E203 WeakPolarHBondContact O-CB 3.39Å; E191-E203 WeakPolarHBondContact O-CG 3.46Å; E193-E203 HydrophobicContact CB-CG 4.31Å; E193-E203 HydrophobicContact CG-CG 4.33Å; E193-E203 PolarHBondContact N-OE1 2.89Å; D194-E203 PolarHBondContact N-OE1 3.5Å; I199-E203 HydrophobicContact CG2-CB 3.86Å; S200-E203 VanDerWaalsContact CB-OE2 3.27Å; S200-E203 WeakPolarHBondContact CB-OE2 3.14Å; S200-E203 PolarHBondContact N-OE2 3.32Å; S200-E203 PolarHBondContact O-N 2.85Å; S200-E203 VanDerWaalsContact O-N 3.16Å; S200-E203 WeakPolarHBondContact OG-CG 3.24Å; S200-E203 PolarHBondContact OG-N 3.33Å; S200-E203 PolarHBondContact OG-OE2 3.37Å; E203-T205 VanDerWaalsContact C-N 3.3Å; E203-T205 PolarHBondContact O-N 2.73Å; E203-S206 VanDerWaalsContact O-CB 3.32Å; E203-S206 WeakPolarHBondContact O-CB 3.13Å; E203-S206 PolarHBondContact O-N 3.5Å; E203-S206 VanDerWaalsContact O-N 3.09Å
204	F	84.9	Confident	76.5	Confident	18 Å²	18	82.4 Å²	82.4	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-58.8	-38.3	179.8	-175.8	-97.2	0	0	0	114.2	P138 R139 S140 T143 F144 M147 L155 I199 S200	P138-F204 WeakPolarHBondContact O-CZ 3.41Å; R139-F204 VanDerWaalsContact C-CE1 3.41Å; R139-F204 VanDerWaalsContact CA-CE1 3.45Å; R139-F204 HydrophobicContact CB-CE1 4.36Å; S140-F204 WeakPolarHBondContact O-CE1 3.34Å; T143-F204 HydrophobicContact CG2-CZ 4.37Å; F144-F204 HydrophobicContact CB-CD1 3.86Å; F144-F204 HydrophobicContact CB-CE1 3.63Å; F144-F204 HydrophobicContact CB-CZ 4.22Å; F144-F204 HydrophobicContact CD2-CB 3.78Å; F144-F204 AromaticContact CD2-CD1 3.65Å; F144-F204 HydrophobicContact CD2-CD1 3.65Å; F144-F204 HydrophobicContact CD2-CD2 4.15Å; F144-F204 HydrophobicContact CD2-CE1 4.14Å; F144-F204 AromaticContact CD2-CG 3.61Å; F144-F204 HydrophobicContact CD2-CG 3.61Å; F144-F204 HydrophobicContact CE2-CB 4.11Å; F144-F204 HydrophobicContact CE2-CG 4.35Å; F144-F204 HydrophobicContact CG-CD1 4.24Å; F144-F204 HydrophobicContact CG-CE1 4.41Å; M147-F204 HydrophobicContact CE-CE2 4.27Å; M147-F204 HydrophobicContact SD-CE2 3.67Å; M147-F204 HydrophobicContact SD-CZ 3.84Å; L155-F204 HydrophobicContact CD1-CD2 3.53Å; L155-F204 HydrophobicContact CD1-CE2 3.73Å; L155-F204 HydrophobicContact CD1-CG 4.3Å; I199-F204 HydrophobicContact CG2-CB 3.96Å; S200-F204 WeakPolarHBondContact O-CB 3.48Å; S200-F204 PolarHBondContact O-N 3.05Å
205	T	74.4	Confident	75.5	Confident	62 Å²	62	81.2 Å²	81.2	38%	0.38	41%	0.409	S	S	.	.	H	α-helix	trans	-89.4	-8.3	-179.6	56.3	0	0	0	0	113.3	V201 R202 E203 I207	V201-T205 HydrophobicContact CG1-CG2 4.33Å; V201-T205 WeakPolarHBondContact O-CB 3.49Å; V201-T205 WeakPolarHBondContact O-CG2 3.31Å; V201-T205 PolarHBondContact O-N 3.25Å; V201-T205 PolarHBondContact O-OG1 3.43Å; R202-T205 PolarHBondContact O-OG1 2.96Å; E203-T205 VanDerWaalsContact C-N 3.3Å; E203-T205 PolarHBondContact O-N 2.73Å; T205-I207 PolarHBondContact O-N 2.9Å; T205-I207 VanDerWaalsContact O-N 3.11Å
206	S	68.9	Low	74.3	Confident	40 Å²	40	75.3 Å²	75.3	28%	0.28	39%	0.386	S	S	.	.			trans	-67.7	109.8	177.3	-162.6	0	0	0	0	109	R202 E203 H208	R202-S206 WeakPolarHBondContact O-CB 3.31Å; R202-S206 PolarHBondContact O-N 3.27Å; R202-S206 VanDerWaalsContact O-N 3.08Å; E203-S206 VanDerWaalsContact O-CB 3.32Å; E203-S206 WeakPolarHBondContact O-CB 3.13Å; E203-S206 PolarHBondContact O-N 3.5Å; E203-S206 VanDerWaalsContact O-N 3.09Å; S206-H208 PolarHBondContact O-N 3.01Å
207	I	61.3	Low	73	Confident	61 Å²	61	74.6 Å²	74.6	31%	0.313	38%	0.382	S	S	.	.			trans	-80.4	104.8	166.1	-60.1	177.3	0	0	0	105.3	T205 D209	T205-I207 PolarHBondContact O-N 2.9Å; T205-I207 VanDerWaalsContact O-N 3.11Å; I207-D209 PolarHBondContact O-N 2.86Å
208	H	53.6	Low	71.4	Confident	82 Å²	82	78.1 Å²	78.1	38%	0.38	39%	0.39	S	S	.	.			trans	-63.1	92.5	165.3	-67.5	-67.6	0	0	0	108.4	E193 S206 E210	E193-H208 IonicContact OE1-CE1 3.18Å; E193-H208 PolarHBondContact OE1-CE1 2.97Å; E193-H208 IonicContact OE1-NE2 3.88Å; S206-H208 PolarHBondContact O-N 3.01Å; H208-E210 HydrophobicContact CB-CG 4.48Å; H208-E210 PolarHBondContact O-N 2.89Å
209	D	40.7	Very low	69.5	Low	131 Å²	131	79.4 Å²	79.4	70%	0.701	40%	0.4	S	S	*	.			trans	-64.5	80.5	158.3	-81	-24.3	0	0	0	106.6	I207 L211	I207-D209 PolarHBondContact O-N 2.86Å; D209-L211 PolarHBondContact O-N 3.24Å
210	E	37.2	Very low	67.5	Low	155 Å²	155	85.7 Å²	85.7	72%	0.724	43%	0.431	S	S	*	.			trans	-66.7	91.3	166.2	-75.1	-162.6	162.6	0	0	108	R82 H208	R82-E210 PolarHBondContact NH1-O 3.31Å; R82-E210 PolarHBondContact NH2-O 2.8Å; H208-E210 HydrophobicContact CB-CG 4.48Å; H208-E210 PolarHBondContact O-N 2.89Å
211	L	35.2	Very low	65.3	Low	220 Å²	220	90.3 Å²	90.3	100%	1.152	45%	0.448	S	S	*	.			trans	3	0	159.6	-64.9	165.6	0	0	0	114.4	R82 D209	R82-L211 PolarHBondContact NH2-OXT 3.32Å; D209-L211 PolarHBondContact O-N 3.24Å

Retrieved 211 of 211 residues in 253.5 ms (Link to these results)

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