A0A096MS22_PAPAN Loading...

Phospholipase A2

AlphaFold DB , UniProt , Accession A0A096MS22, Species PAPAN (Papio anubis, Olive baboon), Gene PLA2G1B, Length 148 aa.

						>A0A096MS22_PAPAN|A0A096MS22|PLA2G1B
MKLLVLAVLLTVAAAESGISSRAVWQFRKLIKCVIPGSDPYLEYNNYGCYCGLGGSGTPVDELDKCCQTHDNCYDQAKKLSSCKFLLDNPYTHTYSYSCSNSEITCSSKNKECEAFICNCDRNAAICFSKAPYNKEHKNLDSKKYCQS
					

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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	40.8	Very low	52.1	Low	242 Å²	242	154.1 Å²	154.1	100%	1.192	84%	0.835	S	S	*	*				0	116	0	-98	150.1	55.7	0	0	108.8
2	K	42.8	Very low	52.6	Low	205 Å²	205	152.4 Å²	152.4	89%	0.891	83%	0.833	S	S	*	*			trans	37.6	116	156.6	-74.5	166.5	175.6	175.3	0	121
3	L	48.2	Very low	52.7	Low	159 Å²	159	147.5 Å²	147.5	83%	0.832	83%	0.825	S	S	*	*			trans	-57.6	142.2	163.7	-66.3	124.4	0	0	0	112.4
4	L	49.5	Very low	52.8	Low	167 Å²	167	143.2 Å²	143.2	87%	0.874	82%	0.818	S	S	*	*			trans	-131.7	86	162.2	-71.8	172.3	0	0	0	109
5	V	54.3	Low	52.8	Low	125 Å²	125	139.8 Å²	139.8	76%	0.758	81%	0.814	S	S	*	*			trans	-84.2	106.5	166.8	-178.2	0	0	0	0	106.5	A7	V5-A7 PolarHBondContact O-N 3.28Å
6	L	53	Low	52.4	Low	162 Å²	162	142.8 Å²	142.8	85%	0.848	82%	0.818	S	S	*	*			trans	-74.8	90.1	172.7	-84.7	155.3	0	0	0	108.9	V8	L6-V8 PolarHBondContact O-N 2.77Å
7	A	56.6	Low	52	Low	83 Å²	83	141.2 Å²	141.2	69%	0.686	82%	0.817	S	S	*	*			trans	-77.4	97.2	168.2	0	0	0	0	0	109	V5 L9	V5-A7 PolarHBondContact O-N 3.28Å; A7-L9 PolarHBondContact O-N 3Å; A7-L9 VanDerWaalsContact O-N 3.16Å
8	V	56.9	Low	51.6	Low	120 Å²	120	136.7 Å²	136.7	73%	0.727	81%	0.806	S	S	*	*			trans	-77.6	96.5	169.8	179.9	0	0	0	0	107.5	L6 L10	L6-V8 PolarHBondContact O-N 2.77Å; V8-L10 PolarHBondContact O-N 3.33Å; V8-L10 VanDerWaalsContact O-N 3.1Å
9	L	56.2	Low	51.1	Low	152 Å²	152	138.2 Å²	138.2	80%	0.796	81%	0.808	S	S	*	*			trans	-72.5	97.3	170.3	-76.5	161.3	0	0	0	108.4	A7 T11	A7-L9 PolarHBondContact O-N 3Å; A7-L9 VanDerWaalsContact O-N 3.16Å; L9-T11 VanDerWaalsContact C-N 3.28Å; L9-T11 PolarHBondContact O-N 3.19Å
10	L	55.2	Low	50.6	Low	154 Å²	154	134.8 Å²	134.8	81%	0.806	79%	0.793	S	S	*	*			trans	-69.8	88.9	163.8	-76.9	161.4	0	0	0	108.1	V8 V12	V8-L10 PolarHBondContact O-N 3.33Å; V8-L10 VanDerWaalsContact O-N 3.1Å; L10-V12 PolarHBondContact O-N 2.74Å
11	T	59.2	Low	50.5	Low	126 Å²	126	131.4 Å²	131.4	77%	0.773	78%	0.776	S	S	*	*			trans	-69.1	100	164.3	52.4	0	0	0	0	107.9	L9 A13	L9-T11 VanDerWaalsContact C-N 3.28Å; L9-T11 PolarHBondContact O-N 3.19Å; T11-A13 VanDerWaalsContact C-N 3.33Å; T11-A13 PolarHBondContact O-N 2.94Å
12	V	58.8	Low	51.3	Low	134 Å²	134	127 Å²	127	81%	0.812	75%	0.746	S	S	*	*			trans	-71.1	97.6	164.1	-176.4	0	0	0	0	105.8	L10 A14	L10-V12 PolarHBondContact O-N 2.74Å; V12-A14 PolarHBondContact O-N 2.86Å
13	A	53.8	Low	52.4	Low	88 Å²	88	117.3 Å²	117.3	73%	0.727	70%	0.704	S	S	*	*			trans	-64.6	106.9	164.4	0	0	0	0	0	106.4	T11 A15	T11-A13 VanDerWaalsContact C-N 3.33Å; T11-A13 PolarHBondContact O-N 2.94Å; A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.5Å
14	A	54.1	Low	54.1	Low	88 Å²	88	113 Å²	113	73%	0.727	68%	0.684	S	S	*	*			trans	-62.9	101.1	164.2	0	0	0	0	0	106.2	V12 E16	V12-A14 PolarHBondContact O-N 2.86Å; A14-E16 VanDerWaalsContact C-N 3.27Å; A14-E16 PolarHBondContact O-N 3.01Å
15	A	53	Low	56	Low	92 Å²	92	110 Å²	110	76%	0.76	66%	0.662	S	S	*	*			trans	-65.3	99	163.5	0	0	0	0	0	105.6	A13 S17	A13-A15 VanDerWaalsContact C-N 3.3Å; A13-A15 PolarHBondContact O-N 3.5Å; A15-S17 VanDerWaalsContact C-N 3.3Å; A15-S17 PolarHBondContact O-N 2.02Å
16	E	46.8	Very low	58	Low	188 Å²	188	105.1 Å²	105.1	88%	0.879	63%	0.63	S	S	*	*			trans	-57	105.2	160.9	-71.4	-174.7	176.8	0	0	105.7	A14 G18	A14-E16 VanDerWaalsContact C-N 3.27Å; A14-E16 PolarHBondContact O-N 3.01Å; E16-G18 PolarHBondContact O-N 2.84Å
17	S	45.4	Very low	60.1	Low	115 Å²	115	98.7 Å²	98.7	80%	0.804	60%	0.595	S	S	*	*			trans	-70.5	69.2	167.5	54.5	0	0	0	0	107.4	A15 I19	A15-S17 VanDerWaalsContact C-N 3.3Å; A15-S17 PolarHBondContact O-N 2.02Å; S17-I19 PolarHBondContact O-N 2.8Å
18	G	43.4	Very low	62	Low	60 Å²	60	99.5 Å²	99.5	62%	0.619	58%	0.581	S	S	*	*			trans	-56.9	110.3	162.2	0	0	0	0	0	105.9	E16 S20	E16-G18 PolarHBondContact O-N 2.84Å; G18-S20 PolarHBondContact O-N 2.84Å
19	I	42.4	Very low	63.9	Low	165 Å²	165	99.7 Å²	99.7	85%	0.846	57%	0.572	S	S	*	*			trans	-42.9	113.8	173.4	-64.2	167.7	0	0	0	106.4	S17 S21	S17-I19 PolarHBondContact O-N 2.8Å; I19-S21 VanDerWaalsContact C-N 3.34Å; I19-S21 PolarHBondContact O-N 3.42Å
20	S	40.9	Very low	65.9	Low	71 Å²	71	92.4 Å²	92.4	50%	0.497	53%	0.534	S	S	.	.			trans	-64.6	98.2	-170.1	-155.6	0	0	0	0	108.8	G18 R22	G18-S20 PolarHBondContact O-N 2.84Å; S20-R22 PolarHBondContact O-N 3.08Å; S20-R22 VanDerWaalsContact O-N 3.09Å
21	S	50	Low	68	Low	63 Å²	63	85.3 Å²	85.3	44%	0.441	50%	0.497	S	S	.	.			trans	-72	-0	-167.7	-179.5	0	0	0	0	114.2	I19 A23 V24 W25	I19-S21 VanDerWaalsContact C-N 3.34Å; I19-S21 PolarHBondContact O-N 3.42Å; S21-A23 PolarHBondContact O-N 2.96Å; S21-A23 VanDerWaalsContact O-N 3.09Å; S21-V24 PolarHBondContact O-N 3.27Å; S21-W25 PolarHBondContact O-N 3.4Å
22	R	56.9	Low	69.8	Low	151 Å²	151	83.6 Å²	83.6	57%	0.57	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	17.6	-91	163.7	20.1	176.5	179.2	-162.9	-0.6	116.8	S20 W25 T92 T94	S20-R22 PolarHBondContact O-N 3.08Å; S20-R22 VanDerWaalsContact O-N 3.09Å; R22-W25 HydrophobicContact CB-CE3 4.28Å; R22-W25 HydrophobicContact CB-CH2 3.15Å; R22-W25 HydrophobicContact CB-CZ2 3.89Å; R22-W25 HydrophobicContact CB-CZ3 3.4Å; R22-W25 HydrophobicContact CG-CH2 3.45Å; R22-W25 VanDerWaalsContact CG-CH2 3.45Å; R22-W25 HydrophobicContact CG-CZ3 3.53Å; R22-W25 VanDerWaalsContact N-CE3 3.28Å; R22-W25 VanDerWaalsContact O-CE3 3.29Å; R22-W25 WeakPolarHBondContact O-CH2 3.24Å; R22-W25 WeakPolarHBondContact O-CZ2 3.22Å; R22-W25 WeakPolarHBondContact O-CZ3 3.5Å; R22-W25 PolarHBondContact O-NE1 3.31Å; R22-T92 WeakPolarHBondContact CB-O 3.05Å; R22-T94 HydrophobicContact CB-CG2 4.16Å; R22-T94 WeakPolarHBondContact O-CG2 3.32Å
23	A	66.3	Low	71.7	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-27	-172.8	0	0	0	0	0	113.1	S21 W25 Q26 F27 P90 Y91 H93	S21-A23 PolarHBondContact O-N 2.96Å; S21-A23 VanDerWaalsContact O-N 3.09Å; A23-W25 PolarHBondContact O-N 2.93Å; A23-W25 VanDerWaalsContact O-N 3.1Å; A23-Q26 WeakPolarHBondContact O-CA 3.41Å; A23-Q26 WeakPolarHBondContact O-CB 3.23Å; A23-Q26 PolarHBondContact O-N 2.95Å; A23-F27 PolarHBondContact O-N 2.63Å; A23-P90 WeakPolarHBondContact CB-O 3.27Å; A23-Y91 WeakPolarHBondContact CB-O 3.45Å; A23-Y91 PolarHBondContact N-O 3.15Å; A23-H93 WeakPolarHBondContact CB-O 3.43Å
24	V	83.9	Confident	73.8	Confident	70 Å²	70	74.5 Å²	74.5	42%	0.424	42%	0.415	S	S	.	.	H	α-helix	trans	-56.2	-31.2	177.5	179.1	0	0	0	0	111.7	S21 Q26 F27 R28 Y91	S21-V24 PolarHBondContact O-N 3.27Å; V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.75Å; V24-F27 PolarHBondContact O-N 2.82Å; V24-R28 PolarHBondContact O-N 2.85Å; V24-Y91 HydrophobicContact CG2-CD1 4.13Å; V24-Y91 PolarHBondContact N-O 3.27Å
25	W	89.4	Confident	75.9	Confident	104 Å²	104	72 Å²	72	39%	0.394	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-32.9	173.2	73.7	63.1	0	0	0	113.1	S21 R22 A23 R28 K29 T94	S21-W25 PolarHBondContact O-N 3.4Å; R22-W25 HydrophobicContact CB-CE3 4.28Å; R22-W25 HydrophobicContact CB-CH2 3.15Å; R22-W25 HydrophobicContact CB-CZ2 3.89Å; R22-W25 HydrophobicContact CB-CZ3 3.4Å; R22-W25 HydrophobicContact CG-CH2 3.45Å; R22-W25 VanDerWaalsContact CG-CH2 3.45Å; R22-W25 HydrophobicContact CG-CZ3 3.53Å; R22-W25 VanDerWaalsContact N-CE3 3.28Å; R22-W25 VanDerWaalsContact O-CE3 3.29Å; R22-W25 WeakPolarHBondContact O-CH2 3.24Å; R22-W25 WeakPolarHBondContact O-CZ2 3.22Å; R22-W25 WeakPolarHBondContact O-CZ3 3.5Å; R22-W25 PolarHBondContact O-NE1 3.31Å; A23-W25 PolarHBondContact O-N 2.93Å; A23-W25 VanDerWaalsContact O-N 3.1Å; W25-R28 PolarHBondContact O-N 2.83Å; W25-K29 VanDerWaalsContact O-CG 3.28Å; W25-K29 WeakPolarHBondContact O-CG 3.42Å; W25-K29 PolarHBondContact O-N 3.07Å; W25-K29 VanDerWaalsContact O-N 3.09Å; W25-T94 HydrophobicContact CH2-CG2 4.48Å; W25-T94 HydrophobicContact CZ2-CG2 3.81Å
26	Q	95.8	Very high	78	Confident	22 Å²	22	72.3 Å²	72.3	10%	0.103	38%	0.383	C	S	.	.	H	α-helix	trans	-72.7	-41.4	179	-59	-168.9	-76.5	0	0	109.5	A23 V24 R28 K29 L30 Y95 Y97	A23-Q26 WeakPolarHBondContact O-CA 3.41Å; A23-Q26 WeakPolarHBondContact O-CB 3.23Å; A23-Q26 PolarHBondContact O-N 2.95Å; V24-Q26 VanDerWaalsContact C-N 3.29Å; V24-Q26 PolarHBondContact O-N 2.75Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.85Å; Q26-K29 CarbonylContact O-C 3.59Å; Q26-K29 WeakPolarHBondContact O-CA 2.98Å; Q26-K29 WeakPolarHBondContact O-CB 3.3Å; Q26-K29 PolarHBondContact O-N 3.49Å; Q26-L30 WeakPolarHBondContact O-CG 2.99Å; Q26-L30 PolarHBondContact O-N 3.4Å; Q26-Y95 HydrophobicContact CB-CE1 4.15Å; Q26-Y95 HydrophobicContact CB-CE2 3.96Å; Q26-Y95 VanDerWaalsContact CB-OH 3.28Å; Q26-Y95 WeakPolarHBondContact CB-OH 3.49Å; Q26-Y95 PolarHBondContact NE2-O 3.18Å; Q26-Y95 PolarHBondContact OE1-O 2.71Å; Q26-Y97 HydrophobicContact CB-CE1 3.97Å; Q26-Y97 HydrophobicContact CG-CE1 4.17Å
27	F	96.9	Very high	80.3	Confident	26 Å²	26	67.4 Å²	67.4	11%	0.114	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-45.6	171.5	-177.2	-148.2	0	0	0	111.8	A23 V24 K29 L30 I31 H70 Y95 D121 A124 A125 F128	A23-F27 PolarHBondContact O-N 2.63Å; V24-F27 PolarHBondContact O-N 2.82Å; F27-K29 PolarHBondContact O-N 3.18Å; F27-L30 WeakPolarHBondContact O-CA 3.33Å; F27-L30 WeakPolarHBondContact O-CB 3.2Å; F27-L30 PolarHBondContact O-N 2.76Å; F27-I31 HydrophobicContact CD1-CD1 4.32Å; F27-I31 HydrophobicContact CD2-CD1 4.09Å; F27-I31 HydrophobicContact CD2-CG1 4.01Å; F27-I31 HydrophobicContact CE1-CD1 3.99Å; F27-I31 HydrophobicContact CE2-CD1 3.73Å; F27-I31 HydrophobicContact CE2-CG1 3.66Å; F27-I31 HydrophobicContact CG-CD1 4.37Å; F27-I31 HydrophobicContact CZ-CD1 3.68Å; F27-I31 HydrophobicContact CZ-CG1 4.1Å; F27-I31 WeakPolarHBondContact O-CG1 3.07Å; F27-I31 PolarHBondContact O-N 2.65Å; F27-H70 AromaticContact CE1-CE1 3.82Å; F27-Y95 PolarHBondContact N-OH 3.47Å; F27-D121 HydrophobicContact CB-CB 4.19Å; F27-D121 HydrophobicContact CD2-CB 3.68Å; F27-D121 HydrophobicContact CE2-CB 4.4Å; F27-D121 WeakPolarHBondContact CE2-O 3.4Å; F27-D121 HydrophobicContact CG-CB 4.15Å; F27-A124 HydrophobicContact CE2-CB 3.76Å; F27-A124 HydrophobicContact CZ-CB 3.69Å; F27-A125 HydrophobicContact CE2-CB 4.31Å; F27-F128 HydrophobicContact CE1-CE2 4.44Å; F27-F128 AromaticContact CZ-CE2 3.79Å; F27-F128 HydrophobicContact CZ-CE2 3.79Å; F27-F128 HydrophobicContact CZ-CZ 4.01Å
28	R	96.5	Very high	82.8	Confident	100 Å²	100	62.3 Å²	62.3	38%	0.377	35%	0.347	S	S	.	.	H	α-helix	trans	-55.1	-40.4	173.1	179.9	176.3	-171.2	-176.1	4	112.2	V24 W25 Q26 K32 D39 P40	V24-R28 PolarHBondContact O-N 2.85Å; W25-R28 PolarHBondContact O-N 2.83Å; Q26-R28 VanDerWaalsContact C-N 3.33Å; Q26-R28 PolarHBondContact O-N 2.85Å; R28-K32 WeakPolarHBondContact O-CG 3.5Å; R28-K32 PolarHBondContact O-N 3.03Å; R28-K32 VanDerWaalsContact O-N 3.09Å; R28-D39 IonicContact CZ-OD1 3.7Å; R28-D39 IonicContact NH2-OD1 3.71Å; R28-D39 PolarHBondContact NH2-OD1 2.82Å; R28-P40 HydrophobicContact CG-CB 4.12Å; R28-P40 HydrophobicContact CG-CG 4.04Å
29	K	97.2	Very high	85.3	Confident	124 Å²	124	61.8 Å²	61.8	54%	0.539	33%	0.33	S	S	.	.	H	α-helix	trans	-68.9	-35.7	177.4	-68.2	-77.8	-177.8	174.5	0	112	W25 Q26 F27 K32 C33 Y97	W25-K29 VanDerWaalsContact O-CG 3.28Å; W25-K29 WeakPolarHBondContact O-CG 3.42Å; W25-K29 PolarHBondContact O-N 3.07Å; W25-K29 VanDerWaalsContact O-N 3.09Å; Q26-K29 CarbonylContact O-C 3.59Å; Q26-K29 WeakPolarHBondContact O-CA 2.98Å; Q26-K29 WeakPolarHBondContact O-CB 3.3Å; Q26-K29 PolarHBondContact O-N 3.49Å; F27-K29 PolarHBondContact O-N 3.18Å; K29-K32 PolarHBondContact O-N 3.44Å; K29-C33 PolarHBondContact O-N 2.94Å; K29-Y97 WeakPolarHBondContact CB-OH 3.43Å
30	L	98.3	Very high	87.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.4	-46.5	173.8	-65	-165.5	0	0	0	111.3	Q26 F27 K32 C33 V34 Y95 Y97 I104 D121 R122 A125	Q26-L30 WeakPolarHBondContact O-CG 2.99Å; Q26-L30 PolarHBondContact O-N 3.4Å; F27-L30 WeakPolarHBondContact O-CA 3.33Å; F27-L30 WeakPolarHBondContact O-CB 3.2Å; F27-L30 PolarHBondContact O-N 2.76Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.08Å; L30-C33 WeakPolarHBondContact O-CB 3.46Å; L30-C33 PolarHBondContact O-N 3.46Å; L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 3.47Å; L30-Y95 HydrophobicContact CD1-CE2 4.28Å; L30-Y97 HydrophobicContact CD2-CD1 4.31Å; L30-Y97 HydrophobicContact CD2-CD2 3.27Å; L30-Y97 HydrophobicContact CD2-CE1 4.44Å; L30-Y97 HydrophobicContact CD2-CE2 3.46Å; L30-Y97 VanDerWaalsContact CD2-CE2 3.46Å; L30-Y97 HydrophobicContact CD2-CG 3.75Å; L30-I104 HydrophobicContact CB-CD1 3.89Å; L30-I104 HydrophobicContact CD1-CG2 4.14Å; L30-I104 HydrophobicContact CD2-CD1 4.25Å; L30-I104 HydrophobicContact CD2-CG1 4.13Å; L30-I104 HydrophobicContact CD2-CG2 3.6Å; L30-I104 HydrophobicContact CG-CD1 4.48Å; L30-I104 HydrophobicContact CG-CG2 4.42Å; L30-D121 HydrophobicContact CD1-CB 3.73Å; L30-R122 HydrophobicContact CD1-CB 4.39Å; L30-A125 HydrophobicContact CB-CB 4.04Å
31	I	98.4	Very high	90.4	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-58.9	-46	175.8	-60.8	166.2	0	0	0	110.7	F27 C33 V34 I35 P40 Y44 A125 F128	F27-I31 HydrophobicContact CD1-CD1 4.32Å; F27-I31 HydrophobicContact CD2-CD1 4.09Å; F27-I31 HydrophobicContact CD2-CG1 4.01Å; F27-I31 HydrophobicContact CE1-CD1 3.99Å; F27-I31 HydrophobicContact CE2-CD1 3.73Å; F27-I31 HydrophobicContact CE2-CG1 3.66Å; F27-I31 HydrophobicContact CG-CD1 4.37Å; F27-I31 HydrophobicContact CZ-CD1 3.68Å; F27-I31 HydrophobicContact CZ-CG1 4.1Å; F27-I31 WeakPolarHBondContact O-CG1 3.07Å; F27-I31 PolarHBondContact O-N 2.65Å; I31-C33 PolarHBondContact O-N 3.23Å; I31-V34 WeakPolarHBondContact O-CG2 3.19Å; I31-V34 PolarHBondContact O-N 3.38Å; I31-I35 HydrophobicContact CG2-CD1 4.12Å; I31-I35 PolarHBondContact O-N 3.07Å; I31-P40 HydrophobicContact CB-CB 4.09Å; I31-P40 HydrophobicContact CB-CG 3.8Å; I31-P40 HydrophobicContact CD1-CB 3.82Å; I31-P40 HydrophobicContact CD1-CG 4.48Å; I31-P40 HydrophobicContact CG2-CB 3.94Å; I31-P40 HydrophobicContact CG2-CG 3.6Å; I31-Y44 HydrophobicContact CD1-CD2 4.34Å; I31-Y44 HydrophobicContact CG2-CD2 3.93Å; I31-Y44 HydrophobicContact CG2-CE2 3.55Å; I31-A125 HydrophobicContact CG1-CB 4.09Å; I31-F128 HydrophobicContact CD1-CD2 3.83Å; I31-F128 HydrophobicContact CD1-CE2 3.71Å; I31-F128 HydrophobicContact CG1-CD2 4Å; I31-F128 HydrophobicContact CG1-CE2 4.31Å; I31-F128 HydrophobicContact CG2-CD2 4.38Å
32	K	98.2	Very high	92.6	Very high	89 Å²	89	60.1 Å²	60.1	39%	0.387	30%	0.302	S	S	.	.	H	α-helix	trans	-62.6	-25.6	176.2	-74.5	-166.5	172.7	-158.7	0	113.9	R28 K29 L30 S38 P40	R28-K32 WeakPolarHBondContact O-CG 3.5Å; R28-K32 PolarHBondContact O-N 3.03Å; R28-K32 VanDerWaalsContact O-N 3.09Å; K29-K32 PolarHBondContact O-N 3.44Å; L30-K32 VanDerWaalsContact C-N 3.33Å; L30-K32 PolarHBondContact O-N 3.08Å; K32-S38 WeakPolarHBondContact CE-O 3.05Å; K32-P40 HydrophobicContact CG-CG 3.84Å
33	C	98.4	Very high	94.5	Very high	10 Å²	10	56 Å²	56	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-47.8	175.2	-178.9	0	0	0	0	111	K29 L30 I31 C99 S102 I104	K29-C33 PolarHBondContact O-N 2.94Å; L30-C33 WeakPolarHBondContact O-CB 3.46Å; L30-C33 PolarHBondContact O-N 3.46Å; I31-C33 PolarHBondContact O-N 3.23Å; C33-C99 HydrophobicContact CB-CB 3.84Å; C33-C99 WeakPolarHBondContact CB-SG 3.43Å; C33-C99 WeakPolarHBondContact SG-CB 3.3Å; C33-C99 CovalentContact SG-SG 2.02Å; C33-C99 PolarHBondContact SG-SG 3.38Å; C33-S102 WeakPolarHBondContact O-CA 2.84Å; C33-S102 PolarHBondContact O-OG 2.86Å; C33-I104 HydrophobicContact CB-CD1 4.46Å; C33-I104 HydrophobicContact CB-CG1 4.03Å
34	V	98.4	Very high	96	Very high	22 Å²	22	57.1 Å²	57.1	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-91.8	-21	-173.5	-70.2	0	0	0	0	113.8	L30 I31 P36 S102 I104 A125 I126	L30-V34 WeakPolarHBondContact O-CG2 3.42Å; L30-V34 PolarHBondContact O-N 3.47Å; I31-V34 WeakPolarHBondContact O-CG2 3.19Å; I31-V34 PolarHBondContact O-N 3.38Å; V34-P36 WeakPolarHBondContact O-CD 3.46Å; V34-S102 WeakPolarHBondContact CG1-O 3.31Å; V34-I104 HydrophobicContact CG1-CD1 3.59Å; V34-I104 HydrophobicContact CG1-CG1 4.03Å; V34-I104 HydrophobicContact CG2-CD1 4.36Å; V34-A125 HydrophobicContact CG2-CB 3.83Å; V34-A125 WeakPolarHBondContact CG2-O 3.28Å; V34-I126 HydrophobicContact CG1-CG1 4.37Å
35	I	98	Very high	96.5	Very high	35 Å²	35	56.8 Å²	56.8	18%	0.179	29%	0.29	C	S	.	.	S	Bend	trans	-125	78.1	176	-49.4	170.2	0	0	0	108.3	I31 G37 S38 Y44 F128	I31-I35 HydrophobicContact CG2-CD1 4.12Å; I31-I35 PolarHBondContact O-N 3.07Å; I35-G37 PolarHBondContact O-N 3.01Å; I35-S38 WeakPolarHBondContact O-CB 3.19Å; I35-S38 PolarHBondContact O-N 3.15Å; I35-S38 PolarHBondContact O-OG 3.45Å; I35-Y44 HydrophobicContact CD1-CE2 4.38Å; I35-Y44 WeakPolarHBondContact CD1-OH 3.35Å; I35-F128 HydrophobicContact CD1-CB 3.86Å
36	P	96.3	Very high	96.8	Very high	98 Å²	98	55.5 Å²	55.5	64%	0.636	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	133.7	176.3	-23.5	34.4	0	0	0	110.9	V34	V34-P36 WeakPolarHBondContact O-CD 3.46Å
37	G	95.8	Very high	97	Very high	85 Å²	85	54.5 Å²	54.5	88%	0.876	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-10.4	179.7	0	0	0	0	0	115.6	I35	I35-G37 PolarHBondContact O-N 3.01Å
38	S	97.3	Very high	97	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.063	28%	0.283	C	S	.	.			trans	-61.9	153.2	172.4	56.5	0	0	0	0	112.5	K32 I35 P40 E43	K32-S38 WeakPolarHBondContact CE-O 3.05Å; I35-S38 WeakPolarHBondContact O-CB 3.19Å; I35-S38 PolarHBondContact O-N 3.15Å; I35-S38 PolarHBondContact O-OG 3.45Å; S38-P40 WeakPolarHBondContact O-CD 3.45Å; S38-E43 VanDerWaalsContact CA-OE2 3.27Å; S38-E43 WeakPolarHBondContact CA-OE2 3.34Å; S38-E43 VanDerWaalsContact CB-OE2 3.23Å; S38-E43 WeakPolarHBondContact CB-OE2 3.46Å
39	D	97.3	Very high	97.1	Very high	49 Å²	49	49.3 Å²	49.3	26%	0.262	27%	0.269	S	S	.	.			trans	-111.5	88.3	158.6	-166.1	-7.7	0	0	0	110.3	R28 Y41 L42 E43	R28-D39 IonicContact CZ-OD1 3.7Å; R28-D39 IonicContact NH2-OD1 3.71Å; R28-D39 PolarHBondContact NH2-OD1 2.82Å; D39-Y41 PolarHBondContact O-N 2.54Å; D39-L42 HydrophobicContact CB-CB 4.22Å; D39-L42 HydrophobicContact CB-CD1 4.42Å; D39-L42 HydrophobicContact CB-CG 4.47Å; D39-L42 PolarHBondContact O-N 2.98Å; D39-L42 WeakPolarHBondContact OD2-CD1 3.49Å; D39-L42 WeakPolarHBondContact OD2-CG 3.11Å; D39-E43 PolarHBondContact N-OE2 3.36Å; D39-E43 WeakPolarHBondContact O-CB 2.96Å; D39-E43 PolarHBondContact O-N 3.42Å
40	P	96.8	Very high	97.2	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.052	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-28	-167.4	-27.2	34.6	0	0	0	115.1	R28 I31 K32 S38 Y44	R28-P40 HydrophobicContact CG-CB 4.12Å; R28-P40 HydrophobicContact CG-CG 4.04Å; I31-P40 HydrophobicContact CB-CB 4.09Å; I31-P40 HydrophobicContact CB-CG 3.8Å; I31-P40 HydrophobicContact CD1-CB 3.82Å; I31-P40 HydrophobicContact CD1-CG 4.48Å; I31-P40 HydrophobicContact CG2-CB 3.94Å; I31-P40 HydrophobicContact CG2-CG 3.6Å; K32-P40 HydrophobicContact CG-CG 3.84Å; S38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-Y44 HydrophobicContact CB-CD2 3.85Å; P40-Y44 HydrophobicContact CB-CE2 4.32Å; P40-Y44 PolarHBondContact O-N 2.02Å; P40-Y44 VanDerWaalsContact O-N 3.14Å
41	Y	93.1	Very high	97.1	Very high	150 Å²	150	45.3 Å²	45.3	59%	0.588	25%	0.252	S	S	*	.	H	α-helix	trans	-72.2	-36.7	177.2	177.1	-99.6	0	0	0	111.8	D39 N45	D39-Y41 PolarHBondContact O-N 2.54Å; Y41-N45 VanDerWaalsContact O-CB 3.23Å; Y41-N45 WeakPolarHBondContact O-CB 3.45Å
42	L	95.5	Very high	96.9	Very high	106 Å²	106	46.5 Å²	46.5	56%	0.555	27%	0.265	S	S	*	.	H	α-helix	trans	-84.9	-33.2	-179.5	-64.9	-177.6	0	0	0	112.4	D39 K138	D39-L42 HydrophobicContact CB-CB 4.22Å; D39-L42 HydrophobicContact CB-CD1 4.42Å; D39-L42 HydrophobicContact CB-CG 4.47Å; D39-L42 PolarHBondContact O-N 2.98Å; D39-L42 WeakPolarHBondContact OD2-CD1 3.49Å; D39-L42 WeakPolarHBondContact OD2-CG 3.11Å; L42-K138 WeakPolarHBondContact O-CE 3.47Å
43	E	96.5	Very high	96.4	Very high	65 Å²	65	49.9 Å²	49.9	30%	0.304	29%	0.287	S	S	.	.	H	α-helix	trans	-87.9	-51.5	-173.7	-66.4	175.3	148	0	0	111.8	S38 D39 Y133 K138	S38-E43 VanDerWaalsContact CA-OE2 3.27Å; S38-E43 WeakPolarHBondContact CA-OE2 3.34Å; S38-E43 VanDerWaalsContact CB-OE2 3.23Å; S38-E43 WeakPolarHBondContact CB-OE2 3.46Å; D39-E43 PolarHBondContact N-OE2 3.36Å; D39-E43 WeakPolarHBondContact O-CB 2.96Å; D39-E43 PolarHBondContact O-N 3.42Å; E43-Y133 HydrophobicContact CB-CE2 4.13Å; E43-Y133 WeakPolarHBondContact O-CE2 3.39Å; E43-Y133 PolarHBondContact O-OH 2.84Å; E43-K138 VanDerWaalsContact O-CD 3.31Å; E43-K138 WeakPolarHBondContact O-CD 2.98Å
44	Y	97.4	Very high	95.8	Very high	22 Å²	22	52.5 Å²	52.5	9%	0.086	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-22.8	-169.6	-53.8	-64.9	0	0	0	114	I31 I35 P40 C51 L63 F128 Y133	I31-Y44 HydrophobicContact CD1-CD2 4.34Å; I31-Y44 HydrophobicContact CG2-CD2 3.93Å; I31-Y44 HydrophobicContact CG2-CE2 3.55Å; I35-Y44 HydrophobicContact CD1-CE2 4.38Å; I35-Y44 WeakPolarHBondContact CD1-OH 3.35Å; P40-Y44 HydrophobicContact CB-CD2 3.85Å; P40-Y44 HydrophobicContact CB-CE2 4.32Å; P40-Y44 PolarHBondContact O-N 2.02Å; P40-Y44 VanDerWaalsContact O-N 3.14Å; Y44-C51 WeakPolarHBondContact O-CB 3.49Å; Y44-L63 HydrophobicContact CD1-CD1 4.02Å; Y44-L63 HydrophobicContact CD1-CD2 3.89Å; Y44-L63 HydrophobicContact CD1-CG 4.46Å; Y44-L63 HydrophobicContact CE1-CD1 4.14Å; Y44-L63 HydrophobicContact CE1-CD2 3.99Å; Y44-F128 HydrophobicContact CD1-CD2 4.06Å; Y44-F128 HydrophobicContact CD1-CE2 4.38Å; Y44-F128 HydrophobicContact CD2-CD2 4.06Å; Y44-F128 HydrophobicContact CD2-CE2 4.36Å; Y44-F128 HydrophobicContact CE1-CD2 4.39Å; Y44-F128 HydrophobicContact CE2-CD2 4.44Å; Y44-F128 AromaticContact CG-CD2 3.9Å; Y44-F128 HydrophobicContact CG-CD2 3.9Å; Y44-F128 AromaticContact CG-CE2 3.98Å; Y44-F128 HydrophobicContact CG-CE2 3.98Å; Y44-Y133 HydrophobicContact CD1-CD2 4.44Å; Y44-Y133 HydrophobicContact CE1-CD2 4.1Å
45	N	95.7	Very high	95.5	Very high	63 Å²	63	53.2 Å²	53.2	34%	0.337	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	140.4	174.5	-177	47.7	0	0	0	111	Y41 K138	Y41-N45 VanDerWaalsContact O-CB 3.23Å; Y41-N45 WeakPolarHBondContact O-CB 3.45Å; N45-K138 WeakPolarHBondContact O-CE 3.44Å; N45-K138 PolarHBondContact O-NZ 2.91Å
46	N	96.1	Very high	95.3	Very high	77 Å²	77	53.8 Å²	53.8	41%	0.412	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	53.1	-175.6	-163.7	44	0	0	0	111.8	C51 K138 N139	N46-C51 WeakPolarHBondContact CA-O 3.01Å; N46-C51 PolarHBondContact N-O 3Å; N46-K138 PolarHBondContact O-NZ 2.02Å; N46-N139 PolarHBondContact ND2-OD1 2.88Å; N46-N139 PolarHBondContact O-N 3.29Å
47	Y	98.3	Very high	95.3	Very high	1 Å²	1	50 Å²	50	0%	0.004	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-120.4	134.8	175.8	179	-74.3	0	0	0	108.9	C51 D61 L63 D64 Y133 N134 H137 K138	Y47-C51 PolarHBondContact N-O 3.05Å; Y47-C51 WeakPolarHBondContact O-CB 3.47Å; Y47-C51 PolarHBondContact O-N 3.05Å; Y47-D61 WeakPolarHBondContact CE1-OD2 3.41Å; Y47-D61 PolarHBondContact OH-OD2 3.01Å; Y47-L63 HydrophobicContact CD1-CD2 4.09Å; Y47-L63 HydrophobicContact CD1-CG 4.23Å; Y47-L63 HydrophobicContact CD2-CD2 4.25Å; Y47-L63 HydrophobicContact CE1-CB 3.97Å; Y47-L63 HydrophobicContact CE1-CD2 3.73Å; Y47-L63 HydrophobicContact CE1-CG 3.94Å; Y47-L63 HydrophobicContact CE2-CD2 3.85Å; Y47-L63 HydrophobicContact CG-CD2 4.36Å; Y47-D64 HydrophobicContact CE1-CB 4.49Å; Y47-Y133 HydrophobicContact CD2-CD2 4.17Å; Y47-Y133 AromaticContact CD2-CE2 3.53Å; Y47-Y133 HydrophobicContact CD2-CE2 3.53Å; Y47-Y133 AromaticContact CE2-CD2 3.74Å; Y47-Y133 HydrophobicContact CE2-CD2 3.74Å; Y47-Y133 AromaticContact CE2-CE2 3.5Å; Y47-Y133 HydrophobicContact CE2-CE2 3.5Å; Y47-Y133 VanDerWaalsContact CE2-CE2 3.5Å; Y47-Y133 HydrophobicContact CE2-CG 4.41Å; Y47-N134 WeakPolarHBondContact CE2-O 3.37Å; Y47-N134 WeakPolarHBondContact OH-CB 3.44Å; Y47-N134 PolarHBondContact OH-N 2.93Å; Y47-N134 PolarHBondContact OH-O 3.36Å; Y47-H137 HydrophobicContact CD1-CB 4.43Å; Y47-H137 HydrophobicContact CD2-CB 4.45Å; Y47-H137 HydrophobicContact CE1-CB 3.87Å; Y47-H137 HydrophobicContact CE2-CB 3.94Å; Y47-K138 HydrophobicContact CD2-CB 4.45Å; Y47-K138 HydrophobicContact CD2-CD 4.4Å
48	G	98.2	Very high	95.4	Very high	6 Å²	6	51.4 Å²	51.4	6%	0.062	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-141.8	-179.3	0	0	0	0	0	112.4	H137	G48-H137 PolarHBondContact N-O 3.44Å
49	C	98.3	Very high	95.4	Very high	12 Å²	12	52 Å²	52	8%	0.081	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-23.3	-177.8	-66.4	0	0	0	0	114	G55 S56 D64 C146	C49-G55 WeakPolarHBondContact O-CA 3.47Å; C49-S56 WeakPolarHBondContact CB-O 3.21Å; C49-D64 WeakPolarHBondContact CB-OD2 3.37Å; C49-D64 PolarHBondContact N-OD1 3.23Å; C49-D64 PolarHBondContact N-OD2 2.95Å; C49-C146 WeakPolarHBondContact CA-SG 3.4Å; C49-C146 HydrophobicContact CB-CB 3.57Å; C49-C146 WeakPolarHBondContact CB-SG 3.34Å; C49-C146 VanDerWaalsContact SG-CA 3.53Å; C49-C146 WeakPolarHBondContact SG-CB 3.44Å; C49-C146 CovalentContact SG-SG 2.02Å; C49-C146 PolarHBondContact SG-SG 3.02Å
50	Y	98.2	Very high	95.5	Very high	31 Å²	31	52 Å²	52	12%	0.122	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-31.1	-171.2	-73.2	-93.9	0	0	0	113.8	G52 S56 G57 P59 D64 Q68	Y50-G52 PolarHBondContact O-N 2.94Å; Y50-S56 WeakPolarHBondContact CE2-O 3.16Å; Y50-G57 WeakPolarHBondContact CE2-O 3.49Å; Y50-G57 PolarHBondContact OH-O 3.1Å; Y50-P59 HydrophobicContact CD2-CB 4.31Å; Y50-P59 HydrophobicContact CD2-CG 3.9Å; Y50-P59 HydrophobicContact CE2-CB 4.47Å; Y50-P59 HydrophobicContact CE2-CG 3.72Å; Y50-D64 WeakPolarHBondContact CA-OD1 3.44Å; Y50-D64 WeakPolarHBondContact CB-OD1 3.45Å; Y50-D64 PolarHBondContact N-OD1 3.16Å; Y50-Q68 HydrophobicContact CD1-CB 3.6Å; Y50-Q68 HydrophobicContact CD1-CG 3.9Å; Y50-Q68 HydrophobicContact CD2-CB 4Å; Y50-Q68 HydrophobicContact CE1-CB 3.9Å; Y50-Q68 HydrophobicContact CE1-CG 3.65Å; Y50-Q68 HydrophobicContact CE2-CB 4.3Å; Y50-Q68 HydrophobicContact CE2-CG 4.38Å; Y50-Q68 HydrophobicContact CG-CB 3.65Å; Y50-Q68 HydrophobicContact CG-CG 4.34Å; Y50-Q68 PolarHBondContact OH-NE2 2.99Å
51	C	97.5	Very high	95.5	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.054	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-71.3	95.9	-177.2	-48.7	0	0	0	0	111.6	Y44 N46 Y47 D64 C67	Y44-C51 WeakPolarHBondContact O-CB 3.49Å; N46-C51 WeakPolarHBondContact CA-O 3.01Å; N46-C51 PolarHBondContact N-O 3Å; Y47-C51 PolarHBondContact N-O 3.05Å; Y47-C51 WeakPolarHBondContact O-CB 3.47Å; Y47-C51 PolarHBondContact O-N 3.05Å; C51-D64 PolarHBondContact N-OD1 3.04Å; C51-C67 WeakPolarHBondContact CA-SG 3.4Å; C51-C67 HydrophobicContact CB-CB 3.73Å; C51-C67 WeakPolarHBondContact CB-SG 3.37Å; C51-C67 WeakPolarHBondContact SG-CB 3.26Å; C51-C67 CovalentContact SG-SG 2.02Å; C51-C67 PolarHBondContact SG-SG 2.92Å
52	G	93.2	Very high	95.8	Very high	30 Å²	30	52 Å²	52	31%	0.309	32%	0.316	S	S	.	.	S	Bend	trans	150.9	-154.6	-177.1	0	0	0	0	0	111.7	Y50	Y50-G52 PolarHBondContact O-N 2.94Å
53	L	88.3	Confident	96	Very high	161 Å²	161	47 Å²	47	84%	0.843	29%	0.29	S	S	*	.	S	Bend	trans	-87.6	130.3	170.1	-67.5	176.7	0	0	0	109.8
54	G	86.4	Confident	96.1	Very high	64 Å²	64	44 Å²	44	66%	0.66	28%	0.275	S	S	*	.			trans	107.3	-124.7	178.7	0	0	0	0	0	111.3
55	G	91.8	Very high	96.1	Very high	37 Å²	37	47.6 Å²	47.6	38%	0.381	29%	0.291	S	S	.	.			trans	112	121.5	-174	0	0	0	0	0	112.5	C49	C49-G55 WeakPolarHBondContact O-CA 3.47Å
56	S	94	Very high	96.3	Very high	48 Å²	48	44.7 Å²	44.7	34%	0.336	28%	0.276	S	S	.	.			trans	-157.8	165.5	173.8	62.4	0	0	0	0	111.9	C49 Y50 C146	C49-S56 WeakPolarHBondContact CB-O 3.21Å; Y50-S56 WeakPolarHBondContact CE2-O 3.16Å; S56-C146 CarbonylContact C-O 3.39Å; S56-C146 PolarHBondContact OG-O 2.89Å
57	G	95.6	Very high	96.4	Very high	18 Å²	18	41.2 Å²	41.2	19%	0.186	26%	0.258	C	S	.	.	S	Bend	trans	70.8	-151.7	176.4	0	0	0	0	0	113.6	Y50 C146 Q147	Y50-G57 WeakPolarHBondContact CE2-O 3.49Å; Y50-G57 PolarHBondContact OH-O 3.1Å; G57-C146 PolarHBondContact N-O 2.88Å; G57-Q147 WeakPolarHBondContact CA-O 3.25Å
58	T	97.3	Very high	96.4	Very high	114 Å²	114	42.7 Å²	42.7	70%	0.699	27%	0.265	S	S	*	.			trans	-100	131.9	-177.9	-58.6	0	0	0	0	110.2	V60	T58-V60 PolarHBondContact O-N 2.93Å
59	P	98.3	Very high	96.4	Very high	22 Å²	22	46.3 Å²	46.3	14%	0.143	29%	0.286	C	S	.	.			trans	-57	137.1	175.1	-23.2	32.4	0	0	0	111.9	Y50 D64 K65 Q68	Y50-P59 HydrophobicContact CD2-CB 4.31Å; Y50-P59 HydrophobicContact CD2-CG 3.9Å; Y50-P59 HydrophobicContact CE2-CB 4.47Å; Y50-P59 HydrophobicContact CE2-CG 3.72Å; P59-D64 WeakPolarHBondContact CA-OD2 3.38Å; P59-D64 HydrophobicContact CB-CB 3.98Å; P59-K65 HydrophobicContact CB-CB 4.3Å; P59-K65 HydrophobicContact CB-CD 4.34Å; P59-K65 HydrophobicContact CG-CD 3.93Å; P59-Q68 HydrophobicContact CG-CB 4.06Å; P59-Q68 HydrophobicContact CG-CG 4.37Å
60	V	98.3	Very high	96.4	Very high	48 Å²	48	46.6 Å²	46.6	29%	0.291	29%	0.286	S	S	.	.	S	Bend	trans	-80.7	-19	-174.4	-63.9	0	0	0	0	114	T58 D64 H137 L140	T58-V60 PolarHBondContact O-N 2.93Å; V60-D64 HydrophobicContact CG2-CB 4.08Å; V60-D64 PolarHBondContact N-OD2 3.16Å; V60-H137 HydrophobicContact CG2-CB 4.11Å; V60-H137 WeakPolarHBondContact CG2-ND1 3.33Å; V60-L140 HydrophobicContact CG1-CD2 3.73Å; V60-L140 HydrophobicContact CG2-CD2 4.45Å
61	D	98.6	Very high	96.4	Very high	32 Å²	32	46.1 Å²	46.1	17%	0.171	29%	0.285	C	S	.	.	S	Bend	trans	-160.4	-175.3	174.8	62.1	28.4	0	0	0	112	Y47 L63 D64 K65 H137	Y47-D61 WeakPolarHBondContact CE1-OD2 3.41Å; Y47-D61 PolarHBondContact OH-OD2 3.01Å; D61-L63 VanDerWaalsContact C-N 3.32Å; D61-L63 PolarHBondContact O-N 3.14Å; D61-L63 WeakPolarHBondContact OD1-CA 3.23Å; D61-L63 WeakPolarHBondContact OD1-CB 3.19Å; D61-L63 PolarHBondContact OD1-N 2.75Å; D61-D64 PolarHBondContact O-N 3.46Å; D61-D64 WeakPolarHBondContact OD1-CB 3.33Å; D61-D64 PolarHBondContact OD1-N 3.11Å; D61-K65 WeakPolarHBondContact O-CB 3.29Å; D61-K65 PolarHBondContact O-N 3.45Å; D61-H137 IonicContact OD2-CE1 3.49Å; D61-H137 PolarHBondContact OD2-CE1 3.29Å; D61-H137 IonicContact OD2-CG 3.82Å; D61-H137 IonicContact OD2-ND1 2.71Å; D61-H137 PolarHBondContact OD2-ND1 2.81Å
62	E	98.8	Very high	96.3	Very high	128 Å²	128	49.8 Å²	49.8	60%	0.598	30%	0.304	S	S	*	.	H	α-helix	trans	-63	-33.9	178.9	-65.2	-58.1	141	0	0	113.4	K65 C66 A131	E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 3.47Å; E62-C66 PolarHBondContact O-N 2.91Å; E62-C66 PolarHBondContact O-SG 3.18Å; E62-A131 HydrophobicContact CB-CB 4.17Å
63	L	98.8	Very high	96.5	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-69.9	-42.3	178.5	177.7	59.1	0	0	0	110.2	Y44 Y47 D61 K65 C66 C67 F128 A131 Y133	Y44-L63 HydrophobicContact CD1-CD1 4.02Å; Y44-L63 HydrophobicContact CD1-CD2 3.89Å; Y44-L63 HydrophobicContact CD1-CG 4.46Å; Y44-L63 HydrophobicContact CE1-CD1 4.14Å; Y44-L63 HydrophobicContact CE1-CD2 3.99Å; Y47-L63 HydrophobicContact CD1-CD2 4.09Å; Y47-L63 HydrophobicContact CD1-CG 4.23Å; Y47-L63 HydrophobicContact CD2-CD2 4.25Å; Y47-L63 HydrophobicContact CE1-CB 3.97Å; Y47-L63 HydrophobicContact CE1-CD2 3.73Å; Y47-L63 HydrophobicContact CE1-CG 3.94Å; Y47-L63 HydrophobicContact CE2-CD2 3.85Å; Y47-L63 HydrophobicContact CG-CD2 4.36Å; D61-L63 VanDerWaalsContact C-N 3.32Å; D61-L63 PolarHBondContact O-N 3.14Å; D61-L63 WeakPolarHBondContact OD1-CA 3.23Å; D61-L63 WeakPolarHBondContact OD1-CB 3.19Å; D61-L63 PolarHBondContact OD1-N 2.75Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 2.88Å; L63-C66 VanDerWaalsContact O-CB 3.22Å; L63-C66 WeakPolarHBondContact O-CB 3.4Å; L63-C66 PolarHBondContact O-N 2.93Å; L63-C66 VanDerWaalsContact O-N 3.15Å; L63-C67 PolarHBondContact O-N 3.4Å; L63-C67 PolarHBondContact O-SG 3.29Å; L63-F128 HydrophobicContact CD1-CB 4.05Å; L63-F128 HydrophobicContact CD1-CD1 3.42Å; L63-F128 VanDerWaalsContact CD1-CD1 3.42Å; L63-F128 HydrophobicContact CD1-CD2 4.48Å; L63-F128 HydrophobicContact CD1-CE1 3.96Å; L63-F128 HydrophobicContact CD1-CG 3.74Å; L63-A131 HydrophobicContact CB-CB 3.85Å; L63-A131 HydrophobicContact CD1-CB 4.25Å; L63-Y133 HydrophobicContact CD2-CD2 3.63Å; L63-Y133 HydrophobicContact CD2-CE2 4.34Å
64	D	98.7	Very high	96.8	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-34.7	174.3	-161.1	28.2	0	0	0	111.8	Y47 C49 Y50 C51 P59 V60 D61 C66 C67 Q68	Y47-D64 HydrophobicContact CE1-CB 4.49Å; C49-D64 WeakPolarHBondContact CB-OD2 3.37Å; C49-D64 PolarHBondContact N-OD1 3.23Å; C49-D64 PolarHBondContact N-OD2 2.95Å; Y50-D64 WeakPolarHBondContact CA-OD1 3.44Å; Y50-D64 WeakPolarHBondContact CB-OD1 3.45Å; Y50-D64 PolarHBondContact N-OD1 3.16Å; C51-D64 PolarHBondContact N-OD1 3.04Å; P59-D64 WeakPolarHBondContact CA-OD2 3.38Å; P59-D64 HydrophobicContact CB-CB 3.98Å; V60-D64 HydrophobicContact CG2-CB 4.08Å; V60-D64 PolarHBondContact N-OD2 3.16Å; D61-D64 PolarHBondContact O-N 3.46Å; D61-D64 WeakPolarHBondContact OD1-CB 3.33Å; D61-D64 PolarHBondContact OD1-N 3.11Å; D64-C66 VanDerWaalsContact C-N 3.32Å; D64-C66 PolarHBondContact O-N 2.96Å; D64-C67 WeakPolarHBondContact O-CB 3.46Å; D64-C67 PolarHBondContact O-N 3.36Å; D64-C67 VanDerWaalsContact O-N 3.15Å; D64-Q68 PolarHBondContact O-N 3.03Å
65	K	98.8	Very high	97.1	Very high	98 Å²	98	42.1 Å²	42.1	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-37.2	171.9	-168.3	72.2	175	175.8	0	112.3	P59 D61 E62 L63 C67 Q68 T69	P59-K65 HydrophobicContact CB-CB 4.3Å; P59-K65 HydrophobicContact CB-CD 4.34Å; P59-K65 HydrophobicContact CG-CD 3.93Å; D61-K65 WeakPolarHBondContact O-CB 3.29Å; D61-K65 PolarHBondContact O-N 3.45Å; E62-K65 WeakPolarHBondContact O-CB 3.45Å; E62-K65 PolarHBondContact O-N 3.47Å; L63-K65 VanDerWaalsContact C-N 3.29Å; L63-K65 PolarHBondContact O-N 2.88Å; K65-C67 VanDerWaalsContact C-N 3.3Å; K65-C67 PolarHBondContact O-N 2.86Å; K65-Q68 PolarHBondContact O-N 3.01Å; K65-T69 WeakPolarHBondContact O-CB 3.5Å; K65-T69 PolarHBondContact O-N 3.48Å; K65-T69 PolarHBondContact O-OG1 3.21Å
66	C	98.8	Very high	97.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-59.8	-42.7	172.7	-59.9	0	0	0	0	111.1	E62 L63 D64 T69 H70 C127 F128	E62-C66 PolarHBondContact O-N 2.91Å; E62-C66 PolarHBondContact O-SG 3.18Å; L63-C66 VanDerWaalsContact O-CB 3.22Å; L63-C66 WeakPolarHBondContact O-CB 3.4Å; L63-C66 PolarHBondContact O-N 2.93Å; L63-C66 VanDerWaalsContact O-N 3.15Å; D64-C66 VanDerWaalsContact C-N 3.32Å; D64-C66 PolarHBondContact O-N 2.96Å; C66-T69 WeakPolarHBondContact O-CB 3.43Å; C66-T69 PolarHBondContact O-N 3.12Å; C66-H70 PolarHBondContact O-N 3.28Å; C66-C127 HydrophobicContact CB-CB 3.64Å; C66-C127 WeakPolarHBondContact CB-SG 3.42Å; C66-C127 WeakPolarHBondContact SG-CB 3.36Å; C66-C127 CovalentContact SG-SG 2.02Å; C66-C127 PolarHBondContact SG-SG 2.8Å; C66-F128 HydrophobicContact CB-CD1 3.55Å; C66-F128 HydrophobicContact CB-CE1 3.51Å
67	C	98.6	Very high	97.2	Very high	5 Å²	5	43 Å²	43	3%	0.034	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-45	178.3	-59.8	0	0	0	0	112.1	C51 L63 D64 K65 T69 H70 D71 F128	C51-C67 WeakPolarHBondContact CA-SG 3.4Å; C51-C67 HydrophobicContact CB-CB 3.73Å; C51-C67 WeakPolarHBondContact CB-SG 3.37Å; C51-C67 WeakPolarHBondContact SG-CB 3.26Å; C51-C67 CovalentContact SG-SG 2.02Å; C51-C67 PolarHBondContact SG-SG 2.92Å; L63-C67 PolarHBondContact O-N 3.4Å; L63-C67 PolarHBondContact O-SG 3.29Å; D64-C67 WeakPolarHBondContact O-CB 3.46Å; D64-C67 PolarHBondContact O-N 3.36Å; D64-C67 VanDerWaalsContact O-N 3.15Å; K65-C67 VanDerWaalsContact C-N 3.3Å; K65-C67 PolarHBondContact O-N 2.86Å; C67-T69 PolarHBondContact O-N 3.13Å; C67-H70 WeakPolarHBondContact O-CA 3.08Å; C67-H70 WeakPolarHBondContact O-CB 3.5Å; C67-H70 PolarHBondContact O-N 2.89Å; C67-D71 PolarHBondContact O-N 3.06Å; C67-F128 VanDerWaalsContact SG-CE1 3.54Å; C67-F128 WeakPolarHBondContact SG-CZ 3.31Å
68	Q	98.5	Very high	96.9	Very high	32 Å²	32	46.4 Å²	46.4	15%	0.15	24%	0.242	C	C	.	.	H	α-helix	trans	-54.1	-42.5	171.9	177.8	-178.9	69.2	0	0	111.7	Y50 P59 D64 K65 H70 N72	Y50-Q68 HydrophobicContact CD1-CB 3.6Å; Y50-Q68 HydrophobicContact CD1-CG 3.9Å; Y50-Q68 HydrophobicContact CD2-CB 4Å; Y50-Q68 HydrophobicContact CE1-CB 3.9Å; Y50-Q68 HydrophobicContact CE1-CG 3.65Å; Y50-Q68 HydrophobicContact CE2-CB 4.3Å; Y50-Q68 HydrophobicContact CE2-CG 4.38Å; Y50-Q68 HydrophobicContact CG-CB 3.65Å; Y50-Q68 HydrophobicContact CG-CG 4.34Å; Y50-Q68 PolarHBondContact OH-NE2 2.99Å; P59-Q68 HydrophobicContact CG-CB 4.06Å; P59-Q68 HydrophobicContact CG-CG 4.37Å; D64-Q68 PolarHBondContact O-N 3.03Å; K65-Q68 PolarHBondContact O-N 3.01Å; Q68-H70 VanDerWaalsContact C-N 3.34Å; Q68-N72 WeakPolarHBondContact O-CB 3.5Å; Q68-N72 VanDerWaalsContact O-CG 3.24Å; Q68-N72 PolarHBondContact O-N 3.32Å; Q68-N72 VanDerWaalsContact O-N 3.07Å; Q68-N72 PolarHBondContact O-ND2 2.95Å; Q68-N72 VanDerWaalsContact O-ND2 3.08Å
69	T	98.6	Very high	96.6	Very high	82 Å²	82	48.2 Å²	48.2	50%	0.503	24%	0.24	S	C	.	.	H	α-helix	trans	-66.7	-38.3	178.2	-57.3	0	0	0	0	111.6	K65 C66 C67 C73	K65-T69 WeakPolarHBondContact O-CB 3.5Å; K65-T69 PolarHBondContact O-N 3.48Å; K65-T69 PolarHBondContact O-OG1 3.21Å; C66-T69 WeakPolarHBondContact O-CB 3.43Å; C66-T69 PolarHBondContact O-N 3.12Å; C67-T69 PolarHBondContact O-N 3.13Å; T69-C73 WeakPolarHBondContact O-CB 3.03Å; T69-C73 PolarHBondContact O-N 3.44Å
70	H	98.2	Very high	96.2	Very high	18 Å²	18	49.1 Å²	49.1	8%	0.083	24%	0.244	C	C	.	.	H	α-helix	trans	-64.8	-45.7	175.8	-175.6	-114.8	0	0	0	112.2	F27 C66 C67 Q68 N72 C73 Y74 D121 A124	F27-H70 AromaticContact CE1-CE1 3.82Å; C66-H70 PolarHBondContact O-N 3.28Å; C67-H70 WeakPolarHBondContact O-CA 3.08Å; C67-H70 WeakPolarHBondContact O-CB 3.5Å; C67-H70 PolarHBondContact O-N 2.89Å; Q68-H70 VanDerWaalsContact C-N 3.34Å; H70-N72 PolarHBondContact O-N 3.48Å; H70-C73 CarbonylContact O-C 3.58Å; H70-C73 WeakPolarHBondContact O-CA 3.22Å; H70-C73 VanDerWaalsContact O-CB 3.26Å; H70-C73 WeakPolarHBondContact O-CB 3.03Å; H70-C73 PolarHBondContact O-N 2.02Å; H70-Y74 AromaticContact CE1-CE1 3.66Å; H70-Y74 AromaticContact CE1-CE2 3.64Å; H70-Y74 AromaticContact CE1-CZ 3.39Å; H70-Y74 AromaticContact NE2-CD1 3.86Å; H70-Y74 AromaticContact NE2-CE1 3.25Å; H70-Y74 VanDerWaalsContact NE2-CE1 3.25Å; H70-Y74 WeakPolarHBondContact NE2-CE1 3.46Å; H70-Y74 AromaticContact NE2-CZ 3.4Å; H70-Y74 PolarHBondContact O-N 3.04Å; H70-D121 IonicContact CD2-OD1 3.44Å; H70-D121 IonicContact CE1-OD1 3.65Å; H70-D121 IonicContact NE2-OD1 3.75Å; H70-D121 PolarHBondContact NE2-OD1 3.11Å; H70-A124 HydrophobicContact CB-CB 3.91Å
71	D	96.6	Very high	95.9	Very high	20 Å²	20	51.3 Å²	51.3	11%	0.107	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-46.2	175.9	-69	-32	0	0	0	111.4	C67 C73 Y74 D75	C67-D71 PolarHBondContact O-N 3.06Å; D71-C73 PolarHBondContact O-N 3.16Å; D71-Y74 PolarHBondContact O-N 3.06Å; D71-Y74 VanDerWaalsContact O-N 3.13Å; D71-D75 PolarHBondContact O-N 3.23Å
72	N	96.8	Very high	95.4	Very high	85 Å²	85	51.6 Å²	51.6	46%	0.455	27%	0.266	S	S	.	.	H	α-helix	trans	-60.3	-34	174.6	-73.7	-33.2	0	0	0	112.5	Q68 H70 Q76	Q68-N72 WeakPolarHBondContact O-CB 3.5Å; Q68-N72 VanDerWaalsContact O-CG 3.24Å; Q68-N72 PolarHBondContact O-N 3.32Å; Q68-N72 VanDerWaalsContact O-N 3.07Å; Q68-N72 PolarHBondContact O-ND2 2.95Å; Q68-N72 VanDerWaalsContact O-ND2 3.08Å; H70-N72 PolarHBondContact O-N 3.48Å; N72-Q76 WeakPolarHBondContact O-CG 3.2Å; N72-Q76 PolarHBondContact O-N 3.29Å; N72-Q76 PolarHBondContact O-NE2 3.15Å
73	C	97.2	Very high	94.9	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.176	24%	0.239	C	C	.	.	H	α-helix	trans	-69.4	-44.8	175.2	-161.1	0	0	0	0	110.5	T69 H70 D71 D75 Q76 A77 F116 C120	T69-C73 WeakPolarHBondContact O-CB 3.03Å; T69-C73 PolarHBondContact O-N 3.44Å; H70-C73 CarbonylContact O-C 3.58Å; H70-C73 WeakPolarHBondContact O-CA 3.22Å; H70-C73 VanDerWaalsContact O-CB 3.26Å; H70-C73 WeakPolarHBondContact O-CB 3.03Å; H70-C73 PolarHBondContact O-N 2.02Å; D71-C73 PolarHBondContact O-N 3.16Å; C73-D75 VanDerWaalsContact C-N 3.31Å; C73-D75 PolarHBondContact O-N 2.86Å; C73-Q76 WeakPolarHBondContact O-CB 3.43Å; C73-Q76 PolarHBondContact O-N 3.36Å; C73-Q76 VanDerWaalsContact O-N 3.12Å; C73-A77 PolarHBondContact O-N 3.09Å; C73-F116 WeakPolarHBondContact O-CE1 3.06Å; C73-C120 HydrophobicContact CB-CB 3.72Å; C73-C120 WeakPolarHBondContact CB-SG 3.43Å; C73-C120 WeakPolarHBondContact SG-CA 3.41Å; C73-C120 WeakPolarHBondContact SG-CB 3.49Å; C73-C120 CovalentContact SG-SG 2.03Å; C73-C120 PolarHBondContact SG-SG 3.47Å
74	Y	94.4	Very high	93.9	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-36.4	175.4	-86.5	18.8	0	0	0	112.9	H70 D71 Q76 A77 K78 P90 Y91 I117 C120 D121	H70-Y74 AromaticContact CE1-CE1 3.66Å; H70-Y74 AromaticContact CE1-CE2 3.64Å; H70-Y74 AromaticContact CE1-CZ 3.39Å; H70-Y74 AromaticContact NE2-CD1 3.86Å; H70-Y74 AromaticContact NE2-CE1 3.25Å; H70-Y74 VanDerWaalsContact NE2-CE1 3.25Å; H70-Y74 WeakPolarHBondContact NE2-CE1 3.46Å; H70-Y74 AromaticContact NE2-CZ 3.4Å; H70-Y74 PolarHBondContact O-N 3.04Å; D71-Y74 PolarHBondContact O-N 3.06Å; D71-Y74 VanDerWaalsContact O-N 3.13Å; Y74-Q76 VanDerWaalsContact C-N 3.29Å; Y74-Q76 PolarHBondContact O-N 2.77Å; Y74-A77 WeakPolarHBondContact O-CB 3.34Å; Y74-A77 PolarHBondContact O-N 3.31Å; Y74-A77 VanDerWaalsContact O-N 3.16Å; Y74-K78 WeakPolarHBondContact O-CG 3.15Å; Y74-K78 PolarHBondContact O-N 3.09Å; Y74-P90 HydrophobicContact CD1-CB 3.63Å; Y74-P90 HydrophobicContact CD1-CG 4.32Å; Y74-P90 HydrophobicContact CD2-CB 3.56Å; Y74-P90 HydrophobicContact CD2-CG 3.81Å; Y74-P90 HydrophobicContact CE1-CB 3.76Å; Y74-P90 HydrophobicContact CE2-CB 3.7Å; Y74-P90 HydrophobicContact CE2-CG 4.37Å; Y74-P90 HydrophobicContact CG-CB 3.51Å; Y74-P90 HydrophobicContact CG-CG 3.77Å; Y74-Y91 AromaticContact CD2-CD1 3.99Å; Y74-Y91 HydrophobicContact CD2-CD1 3.99Å; Y74-Y91 AromaticContact CD2-CE1 3.48Å; Y74-Y91 HydrophobicContact CD2-CE1 3.48Å; Y74-Y91 VanDerWaalsContact CD2-CE1 3.48Å; Y74-Y91 HydrophobicContact CD2-CE2 4.2Å; Y74-Y91 AromaticContact CD2-CZ 3.59Å; Y74-Y91 AromaticContact CE2-CD1 3.58Å; Y74-Y91 HydrophobicContact CE2-CD1 3.58Å; Y74-Y91 AromaticContact CE2-CE1 3.47Å; Y74-Y91 HydrophobicContact CE2-CE1 3.47Å; Y74-Y91 VanDerWaalsContact CE2-CE1 3.47Å; Y74-Y91 HydrophobicContact CE2-CG 4.26Å; Y74-I117 HydrophobicContact CE1-CG2 4.23Å; Y74-C120 HydrophobicContact CD1-CB 3.96Å; Y74-C120 HydrophobicContact CE1-CB 3.89Å; Y74-D121 WeakPolarHBondContact CE1-OD1 3.48Å; Y74-D121 VanDerWaalsContact OH-CG 3.28Å; Y74-D121 PolarHBondContact OH-OD1 2.94Å; Y74-D121 PolarHBondContact OH-OD2 3.03Å
75	D	93.4	Very high	92.8	Very high	67 Å²	67	59.3 Å²	59.3	36%	0.358	30%	0.298	S	S	.	.	H	α-helix	trans	-67.7	-29.8	174.4	-78.4	-8.6	0	0	0	113.1	D71 C73 K78 K79	D71-D75 PolarHBondContact O-N 3.23Å; C73-D75 VanDerWaalsContact C-N 3.31Å; C73-D75 PolarHBondContact O-N 2.86Å; D75-K78 IonicContact OD1-NZ 2.83Å; D75-K78 PolarHBondContact OD1-NZ 3.28Å; D75-K79 WeakPolarHBondContact O-CD 3.41Å; D75-K79 WeakPolarHBondContact O-CE 2.95Å; D75-K79 VanDerWaalsContact O-CG 3.29Å; D75-K79 WeakPolarHBondContact O-CG 3.01Å
76	Q	94.3	Very high	90.8	Very high	104 Å²	104	62.6 Å²	62.6	49%	0.486	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-43	168.3	-71.2	169.2	70.4	0	0	111	N72 C73 Y74 K78 K79 L80 F116	N72-Q76 WeakPolarHBondContact O-CG 3.2Å; N72-Q76 PolarHBondContact O-N 3.29Å; N72-Q76 PolarHBondContact O-NE2 3.15Å; C73-Q76 WeakPolarHBondContact O-CB 3.43Å; C73-Q76 PolarHBondContact O-N 3.36Å; C73-Q76 VanDerWaalsContact O-N 3.12Å; Y74-Q76 VanDerWaalsContact C-N 3.29Å; Y74-Q76 PolarHBondContact O-N 2.77Å; Q76-K78 VanDerWaalsContact C-N 3.32Å; Q76-K78 PolarHBondContact O-N 3.37Å; Q76-K79 WeakPolarHBondContact O-CA 3.42Å; Q76-K79 WeakPolarHBondContact O-CB 3.49Å; Q76-K79 PolarHBondContact O-N 3.1Å; Q76-L80 PolarHBondContact O-N 3.5Å; Q76-F116 HydrophobicContact CB-CE1 4Å; Q76-F116 HydrophobicContact CB-CZ 3.75Å
77	A	92.4	Very high	89.1	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-56.3	-46.1	177.3	0	0	0	0	0	111.3	C73 Y74 K79 L80 C83 P90 F116 I117	C73-A77 PolarHBondContact O-N 3.09Å; Y74-A77 WeakPolarHBondContact O-CB 3.34Å; Y74-A77 PolarHBondContact O-N 3.31Å; Y74-A77 VanDerWaalsContact O-N 3.16Å; A77-K79 PolarHBondContact O-N 2.78Å; A77-K79 VanDerWaalsContact O-N 3.11Å; A77-L80 WeakPolarHBondContact O-CB 3.42Å; A77-L80 PolarHBondContact O-N 3Å; A77-L80 VanDerWaalsContact O-N 3.11Å; A77-C83 WeakPolarHBondContact O-CB 3.33Å; A77-C83 PolarHBondContact O-SG 2.98Å; A77-P90 HydrophobicContact CB-CB 4.37Å; A77-P90 HydrophobicContact CB-CG 4.37Å; A77-F116 HydrophobicContact CB-CD1 3.67Å; A77-F116 HydrophobicContact CB-CE1 3.83Å; A77-I117 HydrophobicContact CB-CG1 4.14Å
78	K	89.6	Confident	87.6	Confident	88 Å²	88	71 Å²	71	38%	0.383	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.5	176.3	-67.2	168.4	-161.6	158.8	0	113.8	Y74 D75 Q76 P90	Y74-K78 WeakPolarHBondContact O-CG 3.15Å; Y74-K78 PolarHBondContact O-N 3.09Å; D75-K78 IonicContact OD1-NZ 2.83Å; D75-K78 PolarHBondContact OD1-NZ 3.28Å; Q76-K78 VanDerWaalsContact C-N 3.32Å; Q76-K78 PolarHBondContact O-N 3.37Å; K78-P90 HydrophobicContact CG-CG 4Å
79	K	91.4	Very high	86.5	Confident	152 Å²	152	72.2 Å²	72.2	66%	0.661	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-21	179.7	-67.5	166.7	-171.4	169.7	0	112.8	D75 Q76 A77 S81 K84	D75-K79 WeakPolarHBondContact O-CD 3.41Å; D75-K79 WeakPolarHBondContact O-CE 2.95Å; D75-K79 VanDerWaalsContact O-CG 3.29Å; D75-K79 WeakPolarHBondContact O-CG 3.01Å; Q76-K79 WeakPolarHBondContact O-CA 3.42Å; Q76-K79 WeakPolarHBondContact O-CB 3.49Å; Q76-K79 PolarHBondContact O-N 3.1Å; A77-K79 PolarHBondContact O-N 2.78Å; A77-K79 VanDerWaalsContact O-N 3.11Å; K79-S81 PolarHBondContact O-N 2.9Å; K79-K84 WeakPolarHBondContact O-CE 3.38Å; K79-K84 PolarHBondContact O-NZ 3.03Å
80	L	90.2	Very high	85.6	Confident	41 Å²	41	68.4 Å²	68.4	22%	0.215	35%	0.347	C	S	.	.			trans	-63	131.1	179.3	-69.3	175.9	0	0	0	110.8	Q76 A77 S82 C83 K84 F116	Q76-L80 PolarHBondContact O-N 3.5Å; A77-L80 WeakPolarHBondContact O-CB 3.42Å; A77-L80 PolarHBondContact O-N 3Å; A77-L80 VanDerWaalsContact O-N 3.11Å; L80-S82 PolarHBondContact O-N 3.3Å; L80-C83 HydrophobicContact CB-CB 4.19Å; L80-C83 PolarHBondContact O-N 2.89Å; L80-K84 WeakPolarHBondContact O-CG 3.25Å; L80-F116 HydrophobicContact CD1-CB 3.82Å; L80-F116 HydrophobicContact CD1-CD1 3.73Å; L80-F116 HydrophobicContact CD1-CD2 3.7Å; L80-F116 HydrophobicContact CD1-CE1 4.19Å; L80-F116 HydrophobicContact CD1-CE2 4.16Å; L80-F116 HydrophobicContact CD1-CG 3.45Å; L80-F116 VanDerWaalsContact CD1-CG 3.45Å; L80-F116 HydrophobicContact CD1-CZ 4.4Å
81	S	90.5	Very high	84.8	Confident	94 Å²	94	70.7 Å²	70.7	66%	0.657	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-59.2	-34.2	177.4	46.9	0	0	0	0	112.7	K79 C83 K84	K79-S81 PolarHBondContact O-N 2.9Å; S81-C83 PolarHBondContact O-N 2.87Å; S81-K84 PolarHBondContact O-N 3.34Å
82	S	89.4	Confident	84.2	Confident	39 Å²	39	72 Å²	72	27%	0.273	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-69.6	-10	175.8	44.3	0	0	0	0	114.3	L80 E112 C113	L80-S82 PolarHBondContact O-N 3.3Å; S82-E112 WeakPolarHBondContact CB-OE2 3.39Å; S82-E112 WeakPolarHBondContact OG-CG 3.44Å; S82-E112 PolarHBondContact OG-OE2 3.26Å; S82-C113 WeakPolarHBondContact O-CB 3.17Å
83	C	87	Confident	83.7	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.027	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-110.5	17.2	177.3	-65	0	0	0	0	113.4	A77 L80 S81 D88 C113	A77-C83 WeakPolarHBondContact O-CB 3.33Å; A77-C83 PolarHBondContact O-SG 2.98Å; L80-C83 HydrophobicContact CB-CB 4.19Å; L80-C83 PolarHBondContact O-N 2.89Å; S81-C83 PolarHBondContact O-N 2.87Å; C83-D88 WeakPolarHBondContact O-CB 3.18Å; C83-C113 WeakPolarHBondContact CA-SG 3.36Å; C83-C113 HydrophobicContact CB-CB 4.06Å; C83-C113 WeakPolarHBondContact CB-SG 3.45Å; C83-C113 WeakPolarHBondContact SG-CA 3.33Å; C83-C113 WeakPolarHBondContact SG-CB 3.12Å; C83-C113 CovalentContact SG-SG 2.03Å; C83-C113 PolarHBondContact SG-SG 2.9Å
84	K	79.4	Confident	83.5	Confident	142 Å²	142	71.2 Å²	71.2	62%	0.617	36%	0.36	S	S	*	.			trans	-96.7	9.7	-173	-72.9	-177.9	-170.8	178.2	0	115.4	K79 L80 S81	K79-K84 WeakPolarHBondContact O-CE 3.38Å; K79-K84 PolarHBondContact O-NZ 3.03Å; L80-K84 WeakPolarHBondContact O-CG 3.25Å; S81-K84 PolarHBondContact O-N 3.34Å
85	F	74.8	Confident	83.5	Confident	145 Å²	145	71.6 Å²	71.6	64%	0.636	36%	0.362	S	S	*	.	S	Bend	trans	-69	154.6	175.7	-157.6	-104.3	0	0	0	110.7	L87 D88	F85-L87 PolarHBondContact O-N 3.4Å; F85-D88 HydrophobicContact CB-CB 4.23Å; F85-D88 VanDerWaalsContact CB-CG 3.48Å; F85-D88 WeakPolarHBondContact CB-OD2 3.5Å; F85-D88 PolarHBondContact N-OD2 3.4Å; F85-D88 PolarHBondContact O-N 3.47Å
86	L	56.3	Low	83.6	Confident	167 Å²	167	71.1 Å²	71.1	87%	0.874	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-17.7	-168.6	-70.3	171.4	0	0	0	115.3
87	L	62.6	Low	83.8	Confident	138 Å²	138	69.3 Å²	69.3	72%	0.723	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	1.7	-179.4	-58.8	176.6	0	0	0	113.2	F85 N89 T92	F85-L87 PolarHBondContact O-N 3.4Å; L87-N89 PolarHBondContact O-N 3.41Å; L87-T92 PolarHBondContact O-OG1 3.04Å
88	D	68.3	Low	84.1	Confident	46 Å²	46	72.3 Å²	72.3	25%	0.246	37%	0.374	C	S	.	.			trans	-84.3	106.4	-177.2	-67.5	-5.3	0	0	0	108.7	C83 F85 H93	C83-D88 WeakPolarHBondContact O-CB 3.18Å; F85-D88 HydrophobicContact CB-CB 4.23Å; F85-D88 VanDerWaalsContact CB-CG 3.48Å; F85-D88 WeakPolarHBondContact CB-OD2 3.5Å; F85-D88 PolarHBondContact N-OD2 3.4Å; F85-D88 PolarHBondContact O-N 3.47Å; D88-H93 IonicContact OD1-CD2 2.74Å; D88-H93 PolarHBondContact OD1-CD2 2.89Å; D88-H93 VanDerWaalsContact OD1-CD2 3.3Å; D88-H93 IonicContact OD1-NE2 3.3Å
89	N	74.8	Confident	84.5	Confident	57 Å²	57	71.2 Å²	71.2	31%	0.305	38%	0.376	S	S	.	.			trans	-139.7	138.3	173.3	174.5	8.1	0	0	0	106.6	L87 Y91 T92 H93	L87-N89 PolarHBondContact O-N 3.41Å; N89-Y91 PolarHBondContact O-N 3.37Å; N89-Y91 WeakPolarHBondContact OD1-CD2 3.45Å; N89-T92 PolarHBondContact O-N 2.99Å; N89-T92 PolarHBondContact O-OG1 2.03Å; N89-H93 WeakPolarHBondContact O-CB 3.23Å; N89-H93 PolarHBondContact O-N 3.45Å
90	P	79.2	Confident	84.7	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.006	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-28.2	177.7	16.9	-34.2	0	0	0	115.1	A23 Y74 A77 K78 I117	A23-P90 WeakPolarHBondContact CB-O 3.27Å; Y74-P90 HydrophobicContact CD1-CB 3.63Å; Y74-P90 HydrophobicContact CD1-CG 4.32Å; Y74-P90 HydrophobicContact CD2-CB 3.56Å; Y74-P90 HydrophobicContact CD2-CG 3.81Å; Y74-P90 HydrophobicContact CE1-CB 3.76Å; Y74-P90 HydrophobicContact CE2-CB 3.7Å; Y74-P90 HydrophobicContact CE2-CG 4.37Å; Y74-P90 HydrophobicContact CG-CB 3.51Å; Y74-P90 HydrophobicContact CG-CG 3.77Å; A77-P90 HydrophobicContact CB-CB 4.37Å; A77-P90 HydrophobicContact CB-CG 4.37Å; K78-P90 HydrophobicContact CG-CG 4Å; P90-I117 HydrophobicContact CB-CD1 4.27Å; P90-I117 HydrophobicContact CB-CG1 4.1Å; P90-I117 HydrophobicContact CB-CG2 4.38Å
91	Y	82.4	Confident	84.9	Confident	66 Å²	66	73 Å²	73	26%	0.259	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-20	176.8	-54	-74.7	0	0	0	114.6	A23 V24 Y74 N89	A23-Y91 WeakPolarHBondContact CB-O 3.45Å; A23-Y91 PolarHBondContact N-O 3.15Å; V24-Y91 HydrophobicContact CG2-CD1 4.13Å; V24-Y91 PolarHBondContact N-O 3.27Å; Y74-Y91 AromaticContact CD2-CD1 3.99Å; Y74-Y91 HydrophobicContact CD2-CD1 3.99Å; Y74-Y91 AromaticContact CD2-CE1 3.48Å; Y74-Y91 HydrophobicContact CD2-CE1 3.48Å; Y74-Y91 VanDerWaalsContact CD2-CE1 3.48Å; Y74-Y91 HydrophobicContact CD2-CE2 4.2Å; Y74-Y91 AromaticContact CD2-CZ 3.59Å; Y74-Y91 AromaticContact CE2-CD1 3.58Å; Y74-Y91 HydrophobicContact CE2-CD1 3.58Å; Y74-Y91 AromaticContact CE2-CE1 3.47Å; Y74-Y91 HydrophobicContact CE2-CE1 3.47Å; Y74-Y91 VanDerWaalsContact CE2-CE1 3.47Å; Y74-Y91 HydrophobicContact CE2-CG 4.26Å; N89-Y91 PolarHBondContact O-N 3.37Å; N89-Y91 WeakPolarHBondContact OD1-CD2 3.45Å
92	T	83.3	Confident	85.1	Confident	47 Å²	47	71.6 Å²	71.6	29%	0.288	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-20.6	-173.9	54.3	0	0	0	0	114.2	R22 L87 N89 T94	R22-T92 WeakPolarHBondContact CB-O 3.05Å; L87-T92 PolarHBondContact O-OG1 3.04Å; N89-T92 PolarHBondContact O-N 2.99Å; N89-T92 PolarHBondContact O-OG1 2.03Å; T92-T94 PolarHBondContact O-N 3.28Å
93	H	87.4	Confident	85.5	Confident	30 Å²	30	75.6 Å²	75.6	14%	0.139	40%	0.404	C	S	.	.			trans	-79.2	111.7	-176.4	-162.7	-54.9	0	0	0	112.2	A23 D88 N89 E114 I117	A23-H93 WeakPolarHBondContact CB-O 3.43Å; D88-H93 IonicContact OD1-CD2 2.74Å; D88-H93 PolarHBondContact OD1-CD2 2.89Å; D88-H93 VanDerWaalsContact OD1-CD2 3.3Å; D88-H93 IonicContact OD1-NE2 3.3Å; N89-H93 WeakPolarHBondContact O-CB 3.23Å; N89-H93 PolarHBondContact O-N 3.45Å; H93-E114 WeakPolarHBondContact CE1-CG 3.48Å; H93-E114 IonicContact CE1-OE1 2.78Å; H93-E114 PolarHBondContact CE1-OE1 3.11Å; H93-I117 HydrophobicContact CB-CD1 3.8Å
94	T	91.9	Very high	86	Confident	66 Å²	66	75.5 Å²	75.5	41%	0.405	40%	0.403	S	S	.	.			trans	-72.1	150.2	178.2	54.5	0	0	0	0	112	R22 W25 T92	R22-T94 HydrophobicContact CB-CG2 4.16Å; R22-T94 WeakPolarHBondContact O-CG2 3.32Å; W25-T94 HydrophobicContact CH2-CG2 4.48Å; W25-T94 HydrophobicContact CZ2-CG2 3.81Å; T92-T94 PolarHBondContact O-N 3.28Å
95	Y	94.3	Very high	86.9	Confident	10 Å²	10	72 Å²	72	4%	0.039	39%	0.393	C	S	.	.			trans	-135.9	164.3	176.8	51.6	-99.3	0	0	0	111.2	Q26 F27 L30 Y97 E114 I117 C118 D121	Q26-Y95 HydrophobicContact CB-CE1 4.15Å; Q26-Y95 HydrophobicContact CB-CE2 3.96Å; Q26-Y95 VanDerWaalsContact CB-OH 3.28Å; Q26-Y95 WeakPolarHBondContact CB-OH 3.49Å; Q26-Y95 PolarHBondContact NE2-O 3.18Å; Q26-Y95 PolarHBondContact OE1-O 2.71Å; F27-Y95 PolarHBondContact N-OH 3.47Å; L30-Y95 HydrophobicContact CD1-CE2 4.28Å; Y95-Y97 HydrophobicContact CD2-CD1 4.01Å; Y95-Y97 AromaticContact CE2-CD1 3.71Å; Y95-Y97 HydrophobicContact CE2-CD1 3.71Å; Y95-Y97 HydrophobicContact CE2-CE1 4.44Å; Y95-Y97 HydrophobicContact CE2-CG 4.32Å; Y95-E114 WeakPolarHBondContact CB-O 3.28Å; Y95-I117 HydrophobicContact CD1-CB 4.33Å; Y95-I117 HydrophobicContact CD1-CG2 3.81Å; Y95-I117 HydrophobicContact CE1-CG2 3.82Å; Y95-C118 HydrophobicContact CD1-CB 4.27Å; Y95-C118 HydrophobicContact CD2-CB 3.44Å; Y95-C118 VanDerWaalsContact CD2-CB 3.44Å; Y95-C118 VanDerWaalsContact CD2-SG 3.51Å; Y95-C118 HydrophobicContact CE2-CB 3.9Å; Y95-C118 HydrophobicContact CG-CB 3.65Å; Y95-D121 WeakPolarHBondContact CE1-OD2 3.43Å; Y95-D121 PolarHBondContact OH-OD2 3.03Å
96	S	97.1	Very high	88	Confident	56 Å²	56	66.1 Å²	66.1	39%	0.392	37%	0.37	S	S	.	.			trans	-95.6	131.5	177.1	-175.4	0	0	0	0	111.4	S107 N110	S96-S107 WeakPolarHBondContact O-CB 3.35Å; S96-S107 PolarHBondContact O-N 2.83Å; S96-S107 WeakPolarHBondContact OG-CB 2.82Å; S96-N110 WeakPolarHBondContact CA-OD1 3.17Å; S96-N110 VanDerWaalsContact CB-OD1 3.24Å; S96-N110 WeakPolarHBondContact CB-OD1 3.35Å; S96-N110 PolarHBondContact N-OD1 3.42Å; S96-N110 PolarHBondContact O-ND2 3.43Å
97	Y	97.8	Very high	90	Very high	66 Å²	66	59.6 Å²	59.6	26%	0.259	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	164	178.8	75.1	-88.1	0	0	0	111.1	Q26 K29 L30 Y95 T105	Q26-Y97 HydrophobicContact CB-CE1 3.97Å; Q26-Y97 HydrophobicContact CG-CE1 4.17Å; K29-Y97 WeakPolarHBondContact CB-OH 3.43Å; L30-Y97 HydrophobicContact CD2-CD1 4.31Å; L30-Y97 HydrophobicContact CD2-CD2 3.27Å; L30-Y97 HydrophobicContact CD2-CE1 4.44Å; L30-Y97 HydrophobicContact CD2-CE2 3.46Å; L30-Y97 VanDerWaalsContact CD2-CE2 3.46Å; L30-Y97 HydrophobicContact CD2-CG 3.75Å; Y95-Y97 HydrophobicContact CD2-CD1 4.01Å; Y95-Y97 AromaticContact CE2-CD1 3.71Å; Y95-Y97 HydrophobicContact CE2-CD1 3.71Å; Y95-Y97 HydrophobicContact CE2-CE1 4.44Å; Y95-Y97 HydrophobicContact CE2-CG 4.32Å; Y97-T105 CarbonylContact C-O 3.52Å; Y97-T105 VanDerWaalsContact CA-O 3.25Å; Y97-T105 WeakPolarHBondContact CA-O 3.34Å
98	S	97.8	Very high	91.7	Very high	64 Å²	64	59 Å²	59	45%	0.448	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.1	167.5	59	0	0	0	0	111	T105	S98-T105 PolarHBondContact N-O 2.63Å; S98-T105 PolarHBondContact O-N 2.74Å
99	C	97.5	Very high	93	Very high	64 Å²	64	65.6 Å²	65.6	43%	0.432	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.1	172.5	169.1	0	0	0	0	108.4	C33 E103	C33-C99 HydrophobicContact CB-CB 3.84Å; C33-C99 WeakPolarHBondContact CB-SG 3.43Å; C33-C99 WeakPolarHBondContact SG-CB 3.3Å; C33-C99 CovalentContact SG-SG 2.02Å; C33-C99 PolarHBondContact SG-SG 3.38Å; C99-E103 WeakPolarHBondContact CA-O 3.37Å
100	S	96.1	Very high	94	Very high	74 Å²	74	63.9 Å²	63.9	52%	0.517	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	131.3	174.1	-178	0	0	0	0	109.3	S102 E103	S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 2.03Å; S100-E103 PolarHBondContact N-O 3Å; S100-E103 WeakPolarHBondContact O-CA 3.42Å; S100-E103 VanDerWaalsContact O-CB 3.25Å; S100-E103 WeakPolarHBondContact O-CB 3.37Å; S100-E103 PolarHBondContact O-N 3.4Å
101	N	94.3	Very high	94.7	Very high	157 Å²	157	71.3 Å²	71.3	84%	0.84	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	44.8	179.4	-58.2	-31.6	0	0	0	113.9	E103	N101-E103 PolarHBondContact O-N 3.36Å; N101-E103 VanDerWaalsContact O-N 3.13Å
102	S	95.7	Very high	95.3	Very high	65 Å²	65	73.8 Å²	73.8	46%	0.455	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	17.6	-175.4	-52.2	0	0	0	0	114.8	C33 V34 S100	C33-S102 WeakPolarHBondContact O-CA 2.84Å; C33-S102 PolarHBondContact O-OG 2.86Å; V34-S102 WeakPolarHBondContact CG1-O 3.31Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 PolarHBondContact O-N 2.03Å
103	E	97.4	Very high	95.8	Very high	123 Å²	123	71.8 Å²	71.8	58%	0.575	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.5	173.1	-169.2	177.6	175.1	0	0	110	C99 S100 N101	C99-E103 WeakPolarHBondContact CA-O 3.37Å; S100-E103 PolarHBondContact N-O 3Å; S100-E103 WeakPolarHBondContact O-CA 3.42Å; S100-E103 VanDerWaalsContact O-CB 3.25Å; S100-E103 WeakPolarHBondContact O-CB 3.37Å; S100-E103 PolarHBondContact O-N 3.4Å; N101-E103 PolarHBondContact O-N 3.36Å; N101-E103 VanDerWaalsContact O-N 3.13Å
104	I	98.4	Very high	96.2	Very high	2 Å²	2	72.3 Å²	72.3	1%	0.01	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132	176.3	-61.3	161.5	0	0	0	108.8	L30 C33 V34 R122 A125	L30-I104 HydrophobicContact CB-CD1 3.89Å; L30-I104 HydrophobicContact CD1-CG2 4.14Å; L30-I104 HydrophobicContact CD2-CD1 4.25Å; L30-I104 HydrophobicContact CD2-CG1 4.13Å; L30-I104 HydrophobicContact CD2-CG2 3.6Å; L30-I104 HydrophobicContact CG-CD1 4.48Å; L30-I104 HydrophobicContact CG-CG2 4.42Å; C33-I104 HydrophobicContact CB-CD1 4.46Å; C33-I104 HydrophobicContact CB-CG1 4.03Å; V34-I104 HydrophobicContact CG1-CD1 3.59Å; V34-I104 HydrophobicContact CG1-CG1 4.03Å; V34-I104 HydrophobicContact CG2-CD1 4.36Å; I104-R122 HydrophobicContact CB-CG 3.99Å; I104-R122 HydrophobicContact CG2-CB 3.98Å; I104-R122 HydrophobicContact CG2-CG 3.71Å; I104-R122 PolarHBondContact O-NE 2.99Å; I104-R122 PolarHBondContact O-NH2 2.94Å; I104-A125 HydrophobicContact CD1-CB 3.9Å
105	T	98.1	Very high	96.4	Very high	67 Å²	67	70.4 Å²	70.4	41%	0.411	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122	172.8	-55.4	0	0	0	0	110.2	Y97 S98	Y97-T105 CarbonylContact C-O 3.52Å; Y97-T105 VanDerWaalsContact CA-O 3.25Å; Y97-T105 WeakPolarHBondContact CA-O 3.34Å; S98-T105 PolarHBondContact N-O 2.63Å; S98-T105 PolarHBondContact O-N 2.74Å
106	C	98.1	Very high	96.5	Very high	23 Å²	23	72.9 Å²	72.9	16%	0.155	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.5	169.3	-67.6	0	0	0	0	109.5	C118	C106-C118 WeakPolarHBondContact CA-SG 3.18Å; C106-C118 HydrophobicContact CB-CB 3.86Å; C106-C118 WeakPolarHBondContact CB-SG 3.04Å; C106-C118 WeakPolarHBondContact SG-CB 3.11Å; C106-C118 PolarHBondContact SG-O 3.09Å; C106-C118 VanDerWaalsContact SG-O 3.36Å; C106-C118 CovalentContact SG-SG 2.03Å; C106-C118 PolarHBondContact SG-SG 3.21Å
107	S	97.9	Very high	96.5	Very high	30 Å²	30	70.2 Å²	70.2	21%	0.21	38%	0.383	C	S	.	.			trans	-65.9	137.4	-175	-170.4	0	0	0	0	111.7	S96 K109 N110	S96-S107 WeakPolarHBondContact O-CB 3.35Å; S96-S107 PolarHBondContact O-N 2.83Å; S96-S107 WeakPolarHBondContact OG-CB 2.82Å; S107-K109 PolarHBondContact O-N 3.39Å; S107-K109 VanDerWaalsContact O-N 3.15Å; S107-K109 PolarHBondContact OG-N 3.29Å; S107-N110 WeakPolarHBondContact O-CB 3.15Å; S107-N110 PolarHBondContact O-N 2.87Å; S107-N110 VanDerWaalsContact O-N 3.13Å; S107-N110 PolarHBondContact O-ND2 3.09Å
108	S	96.9	Very high	96.5	Very high	126 Å²	126	67 Å²	67	88%	0.881	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.4	170	56.6	0	0	0	0	113.8	N110	S108-N110 VanDerWaalsContact C-N 3.3Å
109	K	97.2	Very high	96.5	Very high	184 Å²	184	67.1 Å²	67.1	80%	0.8	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.9	174.4	-61.4	-178	-179.8	-179.9	0	113.2	S107	S107-K109 PolarHBondContact O-N 3.39Å; S107-K109 VanDerWaalsContact O-N 3.15Å; S107-K109 PolarHBondContact OG-N 3.29Å
110	N	95.4	Very high	96.5	Very high	21 Å²	21	64.2 Å²	64.2	11%	0.112	35%	0.347	C	S	.	.	S	Bend	trans	-66	134.3	175.8	-73	-25	0	0	0	110.1	S96 S107 S108 E114 A115	S96-N110 WeakPolarHBondContact CA-OD1 3.17Å; S96-N110 VanDerWaalsContact CB-OD1 3.24Å; S96-N110 WeakPolarHBondContact CB-OD1 3.35Å; S96-N110 PolarHBondContact N-OD1 3.42Å; S96-N110 PolarHBondContact O-ND2 3.43Å; S107-N110 WeakPolarHBondContact O-CB 3.15Å; S107-N110 PolarHBondContact O-N 2.87Å; S107-N110 VanDerWaalsContact O-N 3.13Å; S107-N110 PolarHBondContact O-ND2 3.09Å; S108-N110 VanDerWaalsContact C-N 3.3Å; N110-E114 HydrophobicContact CB-CB 3.73Å; N110-A115 HydrophobicContact CB-CB 3.83Å
111	K	94.4	Very high	96.6	Very high	156 Å²	156	60.7 Å²	60.7	68%	0.678	32%	0.322	S	S	*	.			trans	-67.3	168.1	163.7	-59.9	178	-179	174.9	0	109.6	C113 E114 A115	K111-C113 VanDerWaalsContact C-N 3.35Å; K111-C113 PolarHBondContact O-N 3.47Å; K111-E114 VanDerWaalsContact CB-OE2 3.31Å; K111-E114 WeakPolarHBondContact CB-OE2 3.05Å; K111-E114 PolarHBondContact N-OE2 2.96Å; K111-E114 PolarHBondContact O-N 3.01Å; K111-E114 VanDerWaalsContact O-N 3.13Å; K111-A115 WeakPolarHBondContact O-CB 3.42Å; K111-A115 PolarHBondContact O-N 3.44Å
112	E	95	Very high	96.9	Very high	119 Å²	119	56.4 Å²	56.4	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-49.8	-49.9	-172.3	-170.4	-174.7	-167.6	0	0	113.5	S82 A115 F116	S82-E112 WeakPolarHBondContact CB-OE2 3.39Å; S82-E112 WeakPolarHBondContact OG-CG 3.44Å; S82-E112 PolarHBondContact OG-OE2 3.26Å; E112-A115 PolarHBondContact O-N 3.44Å; E112-F116 WeakPolarHBondContact O-CB 3.41Å; E112-F116 PolarHBondContact O-N 3.11Å
113	C	93.5	Very high	97	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-62.7	-48	-180	-170.5	0	0	0	0	112.9	S82 C83 K111 A115 F116 I117	S82-C113 WeakPolarHBondContact O-CB 3.17Å; C83-C113 WeakPolarHBondContact CA-SG 3.36Å; C83-C113 HydrophobicContact CB-CB 4.06Å; C83-C113 WeakPolarHBondContact CB-SG 3.45Å; C83-C113 WeakPolarHBondContact SG-CA 3.33Å; C83-C113 WeakPolarHBondContact SG-CB 3.12Å; C83-C113 CovalentContact SG-SG 2.03Å; C83-C113 PolarHBondContact SG-SG 2.9Å; K111-C113 VanDerWaalsContact C-N 3.35Å; K111-C113 PolarHBondContact O-N 3.47Å; C113-A115 VanDerWaalsContact C-N 3.33Å; C113-A115 PolarHBondContact O-N 3.44Å; C113-F116 PolarHBondContact O-N 3.24Å; C113-I117 WeakPolarHBondContact O-CG1 3.36Å; C113-I117 PolarHBondContact O-N 3.3Å
114	E	94.7	Very high	97.1	Very high	40 Å²	40	51.9 Å²	51.9	19%	0.187	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-42.5	179.6	-65	150.3	176.6	0	0	111.2	H93 Y95 N110 K111 C118	H93-E114 WeakPolarHBondContact CE1-CG 3.48Å; H93-E114 IonicContact CE1-OE1 2.78Å; H93-E114 PolarHBondContact CE1-OE1 3.11Å; Y95-E114 WeakPolarHBondContact CB-O 3.28Å; N110-E114 HydrophobicContact CB-CB 3.73Å; K111-E114 VanDerWaalsContact CB-OE2 3.31Å; K111-E114 WeakPolarHBondContact CB-OE2 3.05Å; K111-E114 PolarHBondContact N-OE2 2.96Å; K111-E114 PolarHBondContact O-N 3.01Å; K111-E114 VanDerWaalsContact O-N 3.13Å; E114-C118 WeakPolarHBondContact O-CB 3.28Å; E114-C118 PolarHBondContact O-N 3.03Å
115	A	96.5	Very high	97.1	Very high	27 Å²	27	51.8 Å²	51.8	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-41.4	178.5	0	0	0	0	0	110.7	N110 K111 E112 C113 N119	N110-A115 HydrophobicContact CB-CB 3.83Å; K111-A115 WeakPolarHBondContact O-CB 3.42Å; K111-A115 PolarHBondContact O-N 3.44Å; E112-A115 PolarHBondContact O-N 3.44Å; C113-A115 VanDerWaalsContact C-N 3.33Å; C113-A115 PolarHBondContact O-N 3.44Å; A115-N119 WeakPolarHBondContact O-CB 3.47Å; A115-N119 PolarHBondContact O-N 3.22Å; A115-N119 PolarHBondContact O-ND2 2.86Å
116	F	96.9	Very high	97.1	Very high	61 Å²	61	50.5 Å²	50.5	27%	0.268	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-50.3	178.7	-167	-87.7	0	0	0	111.5	C73 Q76 A77 L80 E112 C113 C118 N119 C120	C73-F116 WeakPolarHBondContact O-CE1 3.06Å; Q76-F116 HydrophobicContact CB-CE1 4Å; Q76-F116 HydrophobicContact CB-CZ 3.75Å; A77-F116 HydrophobicContact CB-CD1 3.67Å; A77-F116 HydrophobicContact CB-CE1 3.83Å; L80-F116 HydrophobicContact CD1-CB 3.82Å; L80-F116 HydrophobicContact CD1-CD1 3.73Å; L80-F116 HydrophobicContact CD1-CD2 3.7Å; L80-F116 HydrophobicContact CD1-CE1 4.19Å; L80-F116 HydrophobicContact CD1-CE2 4.16Å; L80-F116 HydrophobicContact CD1-CG 3.45Å; L80-F116 VanDerWaalsContact CD1-CG 3.45Å; L80-F116 HydrophobicContact CD1-CZ 4.4Å; E112-F116 WeakPolarHBondContact O-CB 3.41Å; E112-F116 PolarHBondContact O-N 3.11Å; C113-F116 PolarHBondContact O-N 3.24Å; F116-C118 PolarHBondContact O-N 3.24Å; F116-N119 PolarHBondContact O-N 2.78Å; F116-C120 PolarHBondContact O-N 3.42Å; F116-C120 PolarHBondContact O-SG 3.26Å; F116-C120 VanDerWaalsContact O-SG 3.38Å
117	I	96.4	Very high	97.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-46	178.2	-63.7	163.5	0	0	0	110.7	Y74 A77 P90 H93 Y95 C113 N119 C120 D121	Y74-I117 HydrophobicContact CE1-CG2 4.23Å; A77-I117 HydrophobicContact CB-CG1 4.14Å; P90-I117 HydrophobicContact CB-CD1 4.27Å; P90-I117 HydrophobicContact CB-CG1 4.1Å; P90-I117 HydrophobicContact CB-CG2 4.38Å; H93-I117 HydrophobicContact CB-CD1 3.8Å; Y95-I117 HydrophobicContact CD1-CB 4.33Å; Y95-I117 HydrophobicContact CD1-CG2 3.81Å; Y95-I117 HydrophobicContact CE1-CG2 3.82Å; C113-I117 WeakPolarHBondContact O-CG1 3.36Å; C113-I117 PolarHBondContact O-N 3.3Å; I117-N119 PolarHBondContact O-N 2.89Å; I117-C120 WeakPolarHBondContact O-CB 3.45Å; I117-C120 PolarHBondContact O-N 3.01Å; I117-C120 VanDerWaalsContact O-N 3.11Å; I117-D121 PolarHBondContact O-N 3.09Å
118	C	97.7	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-56.6	-40.9	176.9	-176.8	0	0	0	0	111.9	Y95 C106 E114 F116 D121 R122	Y95-C118 HydrophobicContact CD1-CB 4.27Å; Y95-C118 HydrophobicContact CD2-CB 3.44Å; Y95-C118 VanDerWaalsContact CD2-CB 3.44Å; Y95-C118 VanDerWaalsContact CD2-SG 3.51Å; Y95-C118 HydrophobicContact CE2-CB 3.9Å; Y95-C118 HydrophobicContact CG-CB 3.65Å; C106-C118 WeakPolarHBondContact CA-SG 3.18Å; C106-C118 HydrophobicContact CB-CB 3.86Å; C106-C118 WeakPolarHBondContact CB-SG 3.04Å; C106-C118 WeakPolarHBondContact SG-CB 3.11Å; C106-C118 PolarHBondContact SG-O 3.09Å; C106-C118 VanDerWaalsContact SG-O 3.36Å; C106-C118 CovalentContact SG-SG 2.03Å; C106-C118 PolarHBondContact SG-SG 3.21Å; E114-C118 WeakPolarHBondContact O-CB 3.28Å; E114-C118 PolarHBondContact O-N 3.03Å; F116-C118 PolarHBondContact O-N 3.24Å; C118-D121 PolarHBondContact O-N 3.03Å; C118-R122 WeakPolarHBondContact O-CB 3.4Å; C118-R122 PolarHBondContact O-N 3.13Å
119	N	98.4	Very high	97.2	Very high	66 Å²	66	47.2 Å²	47.2	35%	0.353	24%	0.235	S	C	.	.	H	α-helix	trans	-71.2	-34.6	178.4	-78.1	-56.5	0	0	0	112.8	A115 F116 I117 N123	A115-N119 WeakPolarHBondContact O-CB 3.47Å; A115-N119 PolarHBondContact O-N 3.22Å; A115-N119 PolarHBondContact O-ND2 2.86Å; F116-N119 PolarHBondContact O-N 2.78Å; I117-N119 PolarHBondContact O-N 2.89Å; N119-N123 VanDerWaalsContact O-CB 3.28Å; N119-N123 WeakPolarHBondContact O-CB 3.36Å; N119-N123 PolarHBondContact O-N 2.96Å; N119-N123 PolarHBondContact O-ND2 3.43Å
120	C	98.3	Very high	97.3	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.02	23%	0.231	C	C	.	.	H	α-helix	trans	-56.3	-52.1	169.4	-63	0	0	0	0	110.5	C73 Y74 F116 I117 N123 A124	C73-C120 HydrophobicContact CB-CB 3.72Å; C73-C120 WeakPolarHBondContact CB-SG 3.43Å; C73-C120 WeakPolarHBondContact SG-CA 3.41Å; C73-C120 WeakPolarHBondContact SG-CB 3.49Å; C73-C120 CovalentContact SG-SG 2.03Å; C73-C120 PolarHBondContact SG-SG 3.47Å; Y74-C120 HydrophobicContact CD1-CB 3.96Å; Y74-C120 HydrophobicContact CE1-CB 3.89Å; F116-C120 PolarHBondContact O-N 3.42Å; F116-C120 PolarHBondContact O-SG 3.26Å; F116-C120 VanDerWaalsContact O-SG 3.38Å; I117-C120 WeakPolarHBondContact O-CB 3.45Å; I117-C120 PolarHBondContact O-N 3.01Å; I117-C120 VanDerWaalsContact O-N 3.11Å; C120-N123 PolarHBondContact O-N 2.94Å; C120-A124 WeakPolarHBondContact O-CB 3.15Å; C120-A124 PolarHBondContact O-N 3.24Å
121	D	98.4	Very high	97.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-39.1	-175.9	-67.3	-2.4	0	0	0	112.1	F27 L30 H70 Y74 Y95 I117 C118 A125	F27-D121 HydrophobicContact CB-CB 4.19Å; F27-D121 HydrophobicContact CD2-CB 3.68Å; F27-D121 HydrophobicContact CE2-CB 4.4Å; F27-D121 WeakPolarHBondContact CE2-O 3.4Å; F27-D121 HydrophobicContact CG-CB 4.15Å; L30-D121 HydrophobicContact CD1-CB 3.73Å; H70-D121 IonicContact CD2-OD1 3.44Å; H70-D121 IonicContact CE1-OD1 3.65Å; H70-D121 IonicContact NE2-OD1 3.75Å; H70-D121 PolarHBondContact NE2-OD1 3.11Å; Y74-D121 WeakPolarHBondContact CE1-OD1 3.48Å; Y74-D121 VanDerWaalsContact OH-CG 3.28Å; Y74-D121 PolarHBondContact OH-OD1 2.94Å; Y74-D121 PolarHBondContact OH-OD2 3.03Å; Y95-D121 WeakPolarHBondContact CE1-OD2 3.43Å; Y95-D121 PolarHBondContact OH-OD2 3.03Å; I117-D121 PolarHBondContact O-N 3.09Å; C118-D121 PolarHBondContact O-N 3.03Å; D121-A125 WeakPolarHBondContact O-CB 3.49Å; D121-A125 PolarHBondContact O-N 3.36Å
122	R	98.6	Very high	97.6	Very high	67 Å²	67	43.2 Å²	43.2	25%	0.253	23%	0.229	S	C	.	.	H	α-helix	trans	-59.5	-49.3	173.7	174.8	179.9	-174.5	-80.4	-0.2	111.3	L30 I104 C118 A125 I126	L30-R122 HydrophobicContact CD1-CB 4.39Å; I104-R122 HydrophobicContact CB-CG 3.99Å; I104-R122 HydrophobicContact CG2-CB 3.98Å; I104-R122 HydrophobicContact CG2-CG 3.71Å; I104-R122 PolarHBondContact O-NE 2.99Å; I104-R122 PolarHBondContact O-NH2 2.94Å; C118-R122 WeakPolarHBondContact O-CB 3.4Å; C118-R122 PolarHBondContact O-N 3.13Å; R122-A125 PolarHBondContact O-N 2.74Å; R122-I126 HydrophobicContact CG-CD1 3.87Å; R122-I126 WeakPolarHBondContact O-CG1 3.48Å; R122-I126 PolarHBondContact O-N 3.02Å
123	N	98.8	Very high	97.8	Very high	88 Å²	88	41.4 Å²	41.4	47%	0.471	22%	0.218	S	C	.	.	H	α-helix	trans	-66.6	-41	-177.3	-70.8	-18.1	0	0	0	111.2	N119 C120 I126 C127	N119-N123 VanDerWaalsContact O-CB 3.28Å; N119-N123 WeakPolarHBondContact O-CB 3.36Å; N119-N123 PolarHBondContact O-N 2.96Å; N119-N123 PolarHBondContact O-ND2 3.43Å; C120-N123 PolarHBondContact O-N 2.94Å; N123-I126 PolarHBondContact O-N 2.86Å; N123-C127 VanDerWaalsContact O-CB 3.3Å; N123-C127 WeakPolarHBondContact O-CB 3.34Å; N123-C127 PolarHBondContact O-N 3.23Å
124	A	98.7	Very high	98	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-46.2	174.4	0	0	0	0	0	111.8	F27 H70 C120 I126 C127 F128	F27-A124 HydrophobicContact CE2-CB 3.76Å; F27-A124 HydrophobicContact CZ-CB 3.69Å; H70-A124 HydrophobicContact CB-CB 3.91Å; C120-A124 WeakPolarHBondContact O-CB 3.15Å; C120-A124 PolarHBondContact O-N 3.24Å; A124-I126 PolarHBondContact O-N 3.39Å; A124-C127 WeakPolarHBondContact O-CB 3.44Å; A124-C127 PolarHBondContact O-N 3.47Å; A124-C127 VanDerWaalsContact O-N 3.11Å; A124-F128 WeakPolarHBondContact O-CD1 3.34Å; A124-F128 WeakPolarHBondContact O-CG 3.32Å; A124-F128 PolarHBondContact O-N 3.18Å
125	A	98.7	Very high	98.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-46.4	177.3	0	0	0	0	0	112	F27 L30 I31 V34 I104 D121 R122 C127 F128 S129	F27-A125 HydrophobicContact CE2-CB 4.31Å; L30-A125 HydrophobicContact CB-CB 4.04Å; I31-A125 HydrophobicContact CG1-CB 4.09Å; V34-A125 HydrophobicContact CG2-CB 3.83Å; V34-A125 WeakPolarHBondContact CG2-O 3.28Å; I104-A125 HydrophobicContact CD1-CB 3.9Å; D121-A125 WeakPolarHBondContact O-CB 3.49Å; D121-A125 PolarHBondContact O-N 3.36Å; R122-A125 PolarHBondContact O-N 2.74Å; A125-C127 VanDerWaalsContact C-N 3.29Å; A125-C127 PolarHBondContact O-N 3.26Å; A125-F128 PolarHBondContact O-N 3.04Å; A125-S129 PolarHBondContact O-N 3.39Å; A125-S129 VanDerWaalsContact O-N 3.09Å
126	I	98.8	Very high	98.2	Very high	39 Å²	39	56.4 Å²	56.4	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-34.9	176.4	-67.7	167.7	0	0	0	111.5	V34 R122 N123 A124 S129 K130	V34-I126 HydrophobicContact CG1-CG1 4.37Å; R122-I126 HydrophobicContact CG-CD1 3.87Å; R122-I126 WeakPolarHBondContact O-CG1 3.48Å; R122-I126 PolarHBondContact O-N 3.02Å; N123-I126 PolarHBondContact O-N 2.86Å; A124-I126 PolarHBondContact O-N 3.39Å; I126-S129 PolarHBondContact O-N 2.97Å; I126-S129 PolarHBondContact O-OG 3.21Å; I126-K130 HydrophobicContact CG2-CD 4.4Å; I126-K130 WeakPolarHBondContact O-CG 3.21Å
127	C	98.8	Very high	98.3	Very high	47 Å²	47	55.2 Å²	55.2	32%	0.318	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-46.5	175.7	-166.2	0	0	0	0	110.5	C66 N123 A124 A125 S129 K130 A131	C66-C127 HydrophobicContact CB-CB 3.64Å; C66-C127 WeakPolarHBondContact CB-SG 3.42Å; C66-C127 WeakPolarHBondContact SG-CB 3.36Å; C66-C127 CovalentContact SG-SG 2.02Å; C66-C127 PolarHBondContact SG-SG 2.8Å; N123-C127 VanDerWaalsContact O-CB 3.3Å; N123-C127 WeakPolarHBondContact O-CB 3.34Å; N123-C127 PolarHBondContact O-N 3.23Å; A124-C127 WeakPolarHBondContact O-CB 3.44Å; A124-C127 PolarHBondContact O-N 3.47Å; A124-C127 VanDerWaalsContact O-N 3.11Å; A125-C127 VanDerWaalsContact C-N 3.29Å; A125-C127 PolarHBondContact O-N 3.26Å; C127-S129 PolarHBondContact O-N 3.36Å; C127-K130 PolarHBondContact O-N 2.71Å; C127-A131 PolarHBondContact O-N 2.93Å
128	F	98.7	Very high	98.4	Very high	9 Å²	9	57.1 Å²	57.1	4%	0.039	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-35.9	176.9	-66.7	3.4	0	0	0	112.1	F27 I31 I35 Y44 L63 C66 C67 A124 A125 K130	F27-F128 HydrophobicContact CE1-CE2 4.44Å; F27-F128 AromaticContact CZ-CE2 3.79Å; F27-F128 HydrophobicContact CZ-CE2 3.79Å; F27-F128 HydrophobicContact CZ-CZ 4.01Å; I31-F128 HydrophobicContact CD1-CD2 3.83Å; I31-F128 HydrophobicContact CD1-CE2 3.71Å; I31-F128 HydrophobicContact CG1-CD2 4Å; I31-F128 HydrophobicContact CG1-CE2 4.31Å; I31-F128 HydrophobicContact CG2-CD2 4.38Å; I35-F128 HydrophobicContact CD1-CB 3.86Å; Y44-F128 HydrophobicContact CD1-CD2 4.06Å; Y44-F128 HydrophobicContact CD1-CE2 4.38Å; Y44-F128 HydrophobicContact CD2-CD2 4.06Å; Y44-F128 HydrophobicContact CD2-CE2 4.36Å; Y44-F128 HydrophobicContact CE1-CD2 4.39Å; Y44-F128 HydrophobicContact CE2-CD2 4.44Å; Y44-F128 AromaticContact CG-CD2 3.9Å; Y44-F128 HydrophobicContact CG-CD2 3.9Å; Y44-F128 AromaticContact CG-CE2 3.98Å; Y44-F128 HydrophobicContact CG-CE2 3.98Å; L63-F128 HydrophobicContact CD1-CB 4.05Å; L63-F128 HydrophobicContact CD1-CD1 3.42Å; L63-F128 VanDerWaalsContact CD1-CD1 3.42Å; L63-F128 HydrophobicContact CD1-CD2 4.48Å; L63-F128 HydrophobicContact CD1-CE1 3.96Å; L63-F128 HydrophobicContact CD1-CG 3.74Å; C66-F128 HydrophobicContact CB-CD1 3.55Å; C66-F128 HydrophobicContact CB-CE1 3.51Å; C67-F128 VanDerWaalsContact SG-CE1 3.54Å; C67-F128 WeakPolarHBondContact SG-CZ 3.31Å; A124-F128 WeakPolarHBondContact O-CD1 3.34Å; A124-F128 WeakPolarHBondContact O-CG 3.32Å; A124-F128 PolarHBondContact O-N 3.18Å; A125-F128 PolarHBondContact O-N 3.04Å; F128-K130 PolarHBondContact O-N 3.2Å
129	S	98.3	Very high	98.4	Very high	54 Å²	54	62.1 Å²	62.1	38%	0.378	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.8	-179.9	79.3	0	0	0	0	113.7	A125 I126 C127	A125-S129 PolarHBondContact O-N 3.39Å; A125-S129 VanDerWaalsContact O-N 3.09Å; I126-S129 PolarHBondContact O-N 2.97Å; I126-S129 PolarHBondContact O-OG 3.21Å; C127-S129 PolarHBondContact O-N 3.36Å
130	K	98.5	Very high	98.2	Very high	165 Å²	165	60.5 Å²	60.5	72%	0.717	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-23.6	-179.7	-64.8	173.4	-177.4	178.1	0	112.5	I126 C127 F128	I126-K130 HydrophobicContact CG2-CD 4.4Å; I126-K130 WeakPolarHBondContact O-CG 3.21Å; C127-K130 PolarHBondContact O-N 2.71Å; F128-K130 PolarHBondContact O-N 3.2Å
131	A	98.5	Very high	98.1	Very high	19 Å²	19	64.3 Å²	64.3	16%	0.157	32%	0.324	C	S	.	.	S	Bend	trans	-80	138.9	179.6	0	0	0	0	0	111.2	E62 L63 C127	E62-A131 HydrophobicContact CB-CB 4.17Å; L63-A131 HydrophobicContact CB-CB 3.85Å; L63-A131 HydrophobicContact CD1-CB 4.25Å; C127-A131 PolarHBondContact O-N 2.93Å
132	P	98.3	Very high	97.8	Very high	93 Å²	93	67.3 Å²	67.3	60%	0.604	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-67.6	142.6	171.5	29.3	-33.5	0	0	0	110.4
133	Y	98.3	Very high	97.4	Very high	81 Å²	81	72.5 Å²	72.5	32%	0.318	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-94	120.7	174.3	-178.1	-92.5	0	0	0	110.6	E43 Y44 Y47 L63 K135	E43-Y133 HydrophobicContact CB-CE2 4.13Å; E43-Y133 WeakPolarHBondContact O-CE2 3.39Å; E43-Y133 PolarHBondContact O-OH 2.84Å; Y44-Y133 HydrophobicContact CD1-CD2 4.44Å; Y44-Y133 HydrophobicContact CE1-CD2 4.1Å; Y47-Y133 HydrophobicContact CD2-CD2 4.17Å; Y47-Y133 AromaticContact CD2-CE2 3.53Å; Y47-Y133 HydrophobicContact CD2-CE2 3.53Å; Y47-Y133 AromaticContact CE2-CD2 3.74Å; Y47-Y133 HydrophobicContact CE2-CD2 3.74Å; Y47-Y133 AromaticContact CE2-CE2 3.5Å; Y47-Y133 HydrophobicContact CE2-CE2 3.5Å; Y47-Y133 VanDerWaalsContact CE2-CE2 3.5Å; Y47-Y133 HydrophobicContact CE2-CG 4.41Å; L63-Y133 HydrophobicContact CD2-CD2 3.63Å; L63-Y133 HydrophobicContact CD2-CE2 4.34Å; Y133-K135 HydrophobicContact CD1-CG 4.15Å; Y133-K135 HydrophobicContact CE1-CB 4.45Å; Y133-K135 HydrophobicContact CE1-CG 3.7Å
134	N	98.3	Very high	97.2	Very high	55 Å²	55	74.2 Å²	74.2	29%	0.294	37%	0.373	S	S	.	.			trans	-103.5	112.5	174.1	-173.2	-4.8	0	0	0	111.4	Y47 E136 H137	Y47-N134 WeakPolarHBondContact CE2-O 3.37Å; Y47-N134 WeakPolarHBondContact OH-CB 3.44Å; Y47-N134 PolarHBondContact OH-N 2.93Å; Y47-N134 PolarHBondContact OH-O 3.36Å; N134-E136 PolarHBondContact O-N 3.02Å; N134-E136 VanDerWaalsContact O-N 3.15Å; N134-E136 WeakPolarHBondContact OD1-CB 3.46Å; N134-E136 PolarHBondContact OD1-N 3.43Å; N134-H137 HydrophobicContact CB-CB 4.47Å; N134-H137 PolarHBondContact ND2-CE1 2.83Å; N134-H137 PolarHBondContact ND2-NE2 2.03Å; N134-H137 PolarHBondContact O-N 2.74Å; N134-H137 VanDerWaalsContact O-N 3.08Å
135	K	97.9	Very high	97	Very high	173 Å²	173	79.9 Å²	79.9	75%	0.752	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-58.5	-28.9	178.3	-72.6	175	-178.7	-179.4	0	113.4	Y133 H137 K138	Y133-K135 HydrophobicContact CD1-CG 4.15Å; Y133-K135 HydrophobicContact CE1-CB 4.45Å; Y133-K135 HydrophobicContact CE1-CG 3.7Å; K135-H137 PolarHBondContact O-N 2.7Å; K135-K138 WeakPolarHBondContact O-CB 3.24Å; K135-K138 PolarHBondContact O-N 2.95Å
136	E	97.9	Very high	96.8	Very high	160 Å²	160	80 Å²	80	75%	0.748	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-70.8	-21.9	-179.6	-60.2	-177	167.7	0	0	112.8	N134 K138	N134-E136 PolarHBondContact O-N 3.02Å; N134-E136 VanDerWaalsContact O-N 3.15Å; N134-E136 WeakPolarHBondContact OD1-CB 3.46Å; N134-E136 PolarHBondContact OD1-N 3.43Å; E136-K138 VanDerWaalsContact C-N 3.34Å
137	H	98.3	Very high	96.4	Very high	36 Å²	36	84.8 Å²	84.8	17%	0.167	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-88.1	-5.1	177.7	-61.5	171.1	0	0	0	112.5	Y47 G48 V60 D61 N134 K135	Y47-H137 HydrophobicContact CD1-CB 4.43Å; Y47-H137 HydrophobicContact CD2-CB 4.45Å; Y47-H137 HydrophobicContact CE1-CB 3.87Å; Y47-H137 HydrophobicContact CE2-CB 3.94Å; G48-H137 PolarHBondContact N-O 3.44Å; V60-H137 HydrophobicContact CG2-CB 4.11Å; V60-H137 WeakPolarHBondContact CG2-ND1 3.33Å; D61-H137 IonicContact OD2-CE1 3.49Å; D61-H137 PolarHBondContact OD2-CE1 3.29Å; D61-H137 IonicContact OD2-CG 3.82Å; D61-H137 IonicContact OD2-ND1 2.71Å; D61-H137 PolarHBondContact OD2-ND1 2.81Å; N134-H137 HydrophobicContact CB-CB 4.47Å; N134-H137 PolarHBondContact ND2-CE1 2.83Å; N134-H137 PolarHBondContact ND2-NE2 2.03Å; N134-H137 PolarHBondContact O-N 2.74Å; N134-H137 VanDerWaalsContact O-N 3.08Å; K135-H137 PolarHBondContact O-N 2.7Å
138	K	98.2	Very high	95.1	Very high	40 Å²	40	90.4 Å²	90.4	17%	0.174	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-73.8	128.8	174.2	-173.8	70.4	-170.6	78.9	0	110.4	L42 E43 N45 N46 Y47 K135 E136 L140	L42-K138 WeakPolarHBondContact O-CE 3.47Å; E43-K138 VanDerWaalsContact O-CD 3.31Å; E43-K138 WeakPolarHBondContact O-CD 2.98Å; N45-K138 WeakPolarHBondContact O-CE 3.44Å; N45-K138 PolarHBondContact O-NZ 2.91Å; N46-K138 PolarHBondContact O-NZ 2.02Å; Y47-K138 HydrophobicContact CD2-CB 4.45Å; Y47-K138 HydrophobicContact CD2-CD 4.4Å; K135-K138 WeakPolarHBondContact O-CB 3.24Å; K135-K138 PolarHBondContact O-N 2.95Å; E136-K138 VanDerWaalsContact C-N 3.34Å; K138-L140 PolarHBondContact O-N 3.46Å
139	N	96.9	Very high	94.9	Very high	104 Å²	104	94.5 Å²	94.5	56%	0.556	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	37.1	-175.8	-48.9	-51.8	0	0	0	113.1	N46	N46-N139 PolarHBondContact ND2-OD1 2.88Å; N46-N139 PolarHBondContact O-N 3.29Å
140	L	95.9	Very high	94.7	Very high	32 Å²	32	96.6 Å²	96.6	17%	0.168	48%	0.482	C	S	.	.			trans	-55.7	142.6	175.8	-172.4	68.5	0	0	0	110.9	V60 K138 S142 Y145	V60-L140 HydrophobicContact CG1-CD2 3.73Å; V60-L140 HydrophobicContact CG2-CD2 4.45Å; K138-L140 PolarHBondContact O-N 3.46Å; L140-S142 VanDerWaalsContact C-N 3.3Å; L140-S142 PolarHBondContact O-N 3.13Å; L140-Y145 HydrophobicContact CD1-CD2 3.61Å; L140-Y145 HydrophobicContact CD1-CE2 4.12Å; L140-Y145 HydrophobicContact CD1-CG 4.12Å; L140-Y145 HydrophobicContact CD2-CG 4.43Å; L140-Y145 HydrophobicContact CG-CD2 3.88Å; L140-Y145 HydrophobicContact CG-CG 4.29Å
141	D	95.3	Very high	94.5	Very high	84 Å²	84	92.8 Å²	92.8	45%	0.449	47%	0.469	S	S	.	.			trans	-69.8	87.8	172.9	-179.9	4.7	0	0	0	110.2	K143 K144 Y145	D141-K143 PolarHBondContact O-N 3.29Å; D141-K143 PolarHBondContact OD1-N 2.85Å; D141-K144 HydrophobicContact CB-CB 4.25Å; D141-K144 PolarHBondContact O-N 3.15Å; D141-K144 WeakPolarHBondContact OD2-CB 3.41Å; D141-Y145 HydrophobicContact CB-CD2 4.08Å; D141-Y145 HydrophobicContact CB-CE2 4.15Å; D141-Y145 VanDerWaalsContact O-CD2 3.24Å; D141-Y145 WeakPolarHBondContact O-CD2 3.25Å; D141-Y145 PolarHBondContact O-N 2.77Å
142	S	91.6	Very high	94.2	Very high	63 Å²	63	97.2 Å²	97.2	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-61.3	-28.5	-175	60.8	0	0	0	0	113.2	L140 K144 C146	L140-S142 VanDerWaalsContact C-N 3.3Å; L140-S142 PolarHBondContact O-N 3.13Å; S142-K144 PolarHBondContact O-N 2.97Å; S142-C146 VanDerWaalsContact CA-SG 3.6Å; S142-C146 WeakPolarHBondContact O-CA 3.4Å; S142-C146 VanDerWaalsContact O-CB 3.23Å; S142-C146 WeakPolarHBondContact O-CB 2.98Å; S142-C146 PolarHBondContact O-N 3.13Å
143	K	91.4	Very high	94	Very high	175 Å²	175	97.4 Å²	97.4	76%	0.761	48%	0.48	S	S	*	.	H	α-helix	trans	-65.6	-30.3	176.5	-66.4	-177.7	179.9	178.3	0	112	D141 Q147	D141-K143 PolarHBondContact O-N 3.29Å; D141-K143 PolarHBondContact OD1-N 2.85Å; K143-Q147 WeakPolarHBondContact O-CG 3.02Å; K143-Q147 PolarHBondContact O-NE2 3.24Å
144	K	94.5	Very high	93.7	Very high	125 Å²	125	98.5 Å²	98.5	54%	0.543	49%	0.491	S	S	.	.	H	α-helix	trans	-90.4	-39.5	-179.5	-176.3	175	175.7	-168.1	0	112.3	D141 S142	D141-K144 HydrophobicContact CB-CB 4.25Å; D141-K144 PolarHBondContact O-N 3.15Å; D141-K144 WeakPolarHBondContact OD2-CB 3.41Å; S142-K144 PolarHBondContact O-N 2.97Å
145	Y	94.6	Very high	93.4	Very high	124 Å²	124	101.6 Å²	101.6	49%	0.486	51%	0.505	S	S	.	.	H	α-helix	trans	-107.7	-14.6	-167.1	-61	-71.5	0	0	0	114.8	L140 D141	L140-Y145 HydrophobicContact CD1-CD2 3.61Å; L140-Y145 HydrophobicContact CD1-CE2 4.12Å; L140-Y145 HydrophobicContact CD1-CG 4.12Å; L140-Y145 HydrophobicContact CD2-CG 4.43Å; L140-Y145 HydrophobicContact CG-CD2 3.88Å; L140-Y145 HydrophobicContact CG-CG 4.29Å; D141-Y145 HydrophobicContact CB-CD2 4.08Å; D141-Y145 HydrophobicContact CB-CE2 4.15Å; D141-Y145 VanDerWaalsContact O-CD2 3.24Å; D141-Y145 WeakPolarHBondContact O-CD2 3.25Å; D141-Y145 PolarHBondContact O-N 2.77Å
146	C	94.8	Very high	93	Very high	1 Å²	1	96.2 Å²	96.2	1%	0.007	49%	0.486	C	S	.	.			trans	-115.8	31.7	-172.2	-51.9	0	0	0	0	113.2	C49 S56 G57 S142	C49-C146 WeakPolarHBondContact CA-SG 3.4Å; C49-C146 HydrophobicContact CB-CB 3.57Å; C49-C146 WeakPolarHBondContact CB-SG 3.34Å; C49-C146 VanDerWaalsContact SG-CA 3.53Å; C49-C146 WeakPolarHBondContact SG-CB 3.44Å; C49-C146 CovalentContact SG-SG 2.02Å; C49-C146 PolarHBondContact SG-SG 3.02Å; S56-C146 CarbonylContact C-O 3.39Å; S56-C146 PolarHBondContact OG-O 2.89Å; G57-C146 PolarHBondContact N-O 2.88Å; S142-C146 VanDerWaalsContact CA-SG 3.6Å; S142-C146 WeakPolarHBondContact O-CA 3.4Å; S142-C146 VanDerWaalsContact O-CB 3.23Å; S142-C146 WeakPolarHBondContact O-CB 2.98Å; S142-C146 PolarHBondContact O-N 3.13Å
147	Q	89.1	Confident	92.6	Very high	141 Å²	141	90.8 Å²	90.8	66%	0.659	46%	0.464	S	S	*	.			trans	-73.1	150.1	-180	-60.5	-176.5	-1.6	0	0	111.3	G57 K143	G57-Q147 WeakPolarHBondContact CA-O 3.25Å; K143-Q147 WeakPolarHBondContact O-CG 3.02Å; K143-Q147 PolarHBondContact O-NE2 3.24Å
148	S	70.9	Confident	92.1	Very high	165 Å²	165	95.8 Å²	95.8	100%	1.154	49%	0.491	S	S	*	.			trans	-97.7	0	-178.2	-39.2	0	0	0	0	111.5

Retrieved 148 of 148 residues in 830.2 ms (Link to these results)

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