A0A096NFK3_PAPAN Loading...

E3 SUMO-protein ligase NSE2

AlphaFold DB (A0A2K5XEJ6), UniProt , Accession A0A096NFK3, Species PAPAN (Papio anubis, Olive baboon), Gene NSMCE2, Length 246 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	41.1	Very low	41.1	Very low	239 Å²	239	132.4 Å²	132.4	100%	1.177	82%	0.819	S	S	*	*				0	104.2	0	-77.3	-85	162.8	0	0	107.7
2	P	44.2	Very low	41.6	Very low	132 Å²	132	131.3 Å²	131.3	86%	0.857	81%	0.811	S	S	*	*			trans	-86.1	150	176.2	34.4	-29.2	0	0	0	110.9
3	G	44.1	Very low	42.8	Very low	70 Å²	70	125.6 Å²	125.6	72%	0.722	80%	0.795	S	S	*	*			trans	86	100.5	147.7	0	0	0	0	0	117.3
4	R	38.5	Very low	44.6	Very low	244 Å²	244	128.8 Å²	128.8	92%	0.921	79%	0.791	S	S	*	*			trans	-136.7	87.3	134	-89.8	-171.6	157.3	-174.2	-7.4	108.5	S6	R4-S6 PolarHBondContact O-N 3.2Å; R4-S6 VanDerWaalsContact O-N 3.14Å
5	S	40.8	Very low	46.8	Very low	118 Å²	118	124 Å²	124	83%	0.825	76%	0.758	S	S	*	*			trans	-63.9	104.2	159.7	-50.5	0	0	0	0	106.9	S7	S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 PolarHBondContact O-N 3.39Å
6	S	40.1	Very low	49.3	Very low	117 Å²	117	122.1 Å²	122.1	82%	0.818	75%	0.752	S	S	*	*			trans	-67.1	95.7	167.8	-60.6	0	0	0	0	107.4	R4 N8	R4-S6 PolarHBondContact O-N 3.2Å; R4-S6 VanDerWaalsContact O-N 3.14Å; S6-N8 PolarHBondContact O-N 3.44Å
7	S	40.1	Very low	51.7	Low	101 Å²	101	115.8 Å²	115.8	71%	0.706	71%	0.711	S	S	*	*			trans	-58.7	102.3	165.5	41.2	0	0	0	0	107.8	S5 S9	S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 PolarHBondContact O-N 3.39Å; S7-S9 PolarHBondContact O-N 3.15Å
8	N	39.3	Very low	53.9	Low	156 Å²	156	113.6 Å²	113.6	83%	0.834	70%	0.701	S	S	*	*			trans	-66.7	86.9	168.8	-164	53	0	0	0	107	S6 G10	S6-N8 PolarHBondContact O-N 3.44Å; N8-G10 VanDerWaalsContact C-N 3.28Å; N8-G10 PolarHBondContact O-N 2.78Å
9	S	41.2	Very low	56	Low	105 Å²	105	110.4 Å²	110.4	73%	0.734	69%	0.693	S	S	*	*			trans	-63.3	95	170.5	-66.6	0	0	0	0	107.3	S7 S11	S7-S9 PolarHBondContact O-N 3.15Å; S9-S11 PolarHBondContact O-N 3.21Å
10	G	39.9	Very low	57.8	Low	58 Å²	58	108.3 Å²	108.3	60%	0.598	68%	0.679	S	S	*	*			trans	-54	110.7	172.4	0	0	0	0	0	108.5	N8 T12	N8-G10 VanDerWaalsContact C-N 3.28Å; N8-G10 PolarHBondContact O-N 2.78Å; G10-T12 VanDerWaalsContact C-N 3.28Å; G10-T12 PolarHBondContact O-N 3.04Å
11	S	42.9	Very low	59.4	Low	116 Å²	116	106.1 Å²	106.1	81%	0.811	66%	0.661	S	S	*	*			trans	-62.7	95.1	167.8	-177.6	0	0	0	0	107	S9 G13	S9-S11 PolarHBondContact O-N 3.21Å; S11-G13 PolarHBondContact O-N 2.9Å
12	T	46.9	Very low	61.9	Low	119 Å²	119	98.3 Å²	98.3	73%	0.73	63%	0.63	S	S	*	*			trans	-65.8	90.9	164.1	49.2	0	0	0	0	106	G10 F14	G10-T12 VanDerWaalsContact C-N 3.28Å; G10-T12 PolarHBondContact O-N 3.04Å; T12-F14 PolarHBondContact O-N 3.49Å
13	G	57.4	Low	64.3	Low	58 Å²	58	95 Å²	95	60%	0.598	61%	0.613	S	S	*	*			trans	-60	106.5	-179.9	0	0	0	0	0	109.2	S11 I15	S11-G13 PolarHBondContact O-N 2.9Å; G13-I15 PolarHBondContact O-N 3.45Å; G13-I15 VanDerWaalsContact O-N 3.16Å
14	F	67.5	Low	66.7	Low	170 Å²	170	92 Å²	92	75%	0.746	58%	0.581	S	S	*	*			trans	-59.5	118.2	169.8	-86.8	-91.9	0	0	0	108.5	T12 S16	T12-F14 PolarHBondContact O-N 3.49Å; F14-S16 PolarHBondContact O-N 3.43Å
15	I	78.8	Confident	69.2	Low	57 Å²	57	83.4 Å²	83.4	29%	0.292	56%	0.558	S	S	.	*			trans	-73.1	115.5	174.3	-57.5	161.3	0	0	0	107.5	G13 F17 V89 I97	G13-I15 PolarHBondContact O-N 3.45Å; G13-I15 VanDerWaalsContact O-N 3.16Å; I15-F17 HydrophobicContact CB-CE2 3.98Å; I15-F17 HydrophobicContact CB-CZ 4.07Å; I15-F17 HydrophobicContact CG2-CD1 4.41Å; I15-F17 HydrophobicContact CG2-CD2 4.32Å; I15-F17 HydrophobicContact CG2-CE1 3.84Å; I15-F17 HydrophobicContact CG2-CE2 3.74Å; I15-F17 HydrophobicContact CG2-CZ 3.48Å; I15-F17 VanDerWaalsContact CG2-CZ 3.48Å; I15-F17 WeakPolarHBondContact O-CD2 3.28Å; I15-V89 HydrophobicContact CD1-CG1 3.72Å; I15-I97 HydrophobicContact CD1-CD1 4.32Å; I15-I97 HydrophobicContact CD1-CG1 4.03Å; I15-I97 HydrophobicContact CD1-CG2 4.2Å; I15-I97 HydrophobicContact CG1-CD1 4.23Å; I15-I97 HydrophobicContact CG1-CG1 4.41Å
16	S	86.6	Confident	71.7	Confident	94 Å²	94	81 Å²	81	66%	0.657	54%	0.541	S	S	*	.			trans	-82.2	132.1	172.3	-177.6	0	0	0	0	110.4	F14 S18	F14-S16 PolarHBondContact O-N 3.43Å; S16-S18 PolarHBondContact OG-OG 2.75Å
17	F	90.4	Very high	74.1	Confident	15 Å²	15	77.8 Å²	77.8	7%	0.066	51%	0.514	C	S	.	.			trans	-110.7	5.7	178.4	-65.9	-79.1	0	0	0	113.5	I15 G19 V20 E21 I86 V89 K90 L100	I15-F17 HydrophobicContact CB-CE2 3.98Å; I15-F17 HydrophobicContact CB-CZ 4.07Å; I15-F17 HydrophobicContact CG2-CD1 4.41Å; I15-F17 HydrophobicContact CG2-CD2 4.32Å; I15-F17 HydrophobicContact CG2-CE1 3.84Å; I15-F17 HydrophobicContact CG2-CE2 3.74Å; I15-F17 HydrophobicContact CG2-CZ 3.48Å; I15-F17 VanDerWaalsContact CG2-CZ 3.48Å; I15-F17 WeakPolarHBondContact O-CD2 3.28Å; F17-G19 VanDerWaalsContact C-N 3.28Å; F17-G19 PolarHBondContact O-N 2.9Å; F17-V20 WeakPolarHBondContact O-CA 3.48Å; F17-V20 WeakPolarHBondContact O-CB 3.38Å; F17-V20 PolarHBondContact O-N 3.33Å; F17-E21 HydrophobicContact CB-CG 4.42Å; F17-E21 WeakPolarHBondContact O-CG 3.48Å; F17-E21 PolarHBondContact O-N 3.38Å; F17-I86 HydrophobicContact CB-CD1 4.35Å; F17-I86 HydrophobicContact CB-CG1 4.43Å; F17-I86 HydrophobicContact CB-CG2 4.02Å; F17-I86 HydrophobicContact CD1-CB 4.46Å; F17-I86 HydrophobicContact CD1-CD1 4.37Å; F17-I86 HydrophobicContact CD1-CG1 3.75Å; F17-I86 HydrophobicContact CD1-CG2 4.25Å; F17-I86 HydrophobicContact CD2-CG2 3.9Å; F17-I86 HydrophobicContact CE1-CG1 4.18Å; F17-I86 HydrophobicContact CE2-CG2 4.4Å; F17-I86 HydrophobicContact CG-CB 4.49Å; F17-I86 HydrophobicContact CG-CG1 4.12Å; F17-I86 HydrophobicContact CG-CG2 3.79Å; F17-V89 HydrophobicContact CE2-CG1 4.38Å; F17-V89 HydrophobicContact CZ-CB 4.02Å; F17-V89 HydrophobicContact CZ-CG1 3.87Å; F17-K90 HydrophobicContact CD2-CG 4.17Å; F17-K90 HydrophobicContact CE2-CG 4.02Å; F17-L100 HydrophobicContact CE1-CD1 4.19Å
18	S	90.6	Very high	76.5	Confident	76 Å²	76	77.3 Å²	77.3	53%	0.531	50%	0.499	S	S	.	.	H	α-helix	trans	-57.5	-38.5	-173.1	58.5	0	0	0	0	113.5	S16 E21 S22	S16-S18 PolarHBondContact OG-OG 2.75Å; S18-E21 PolarHBondContact O-N 2.79Å; S18-S22 WeakPolarHBondContact O-CB 3.17Å; S18-S22 PolarHBondContact O-N 2.92Å
19	G	92.9	Very high	78.9	Confident	53 Å²	53	75.4 Å²	75.4	55%	0.546	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-39.7	175.2	0	0	0	0	0	112.8	F17 A23	F17-G19 VanDerWaalsContact C-N 3.28Å; F17-G19 PolarHBondContact O-N 2.9Å; G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 2.92Å
20	V	92.1	Very high	81.2	Confident	67 Å²	67	76.4 Å²	76.4	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-70.2	-43	177.2	-177.3	0	0	0	0	110.6	F17 S22 A23 L24 V82 I86	F17-V20 WeakPolarHBondContact O-CA 3.48Å; F17-V20 WeakPolarHBondContact O-CB 3.38Å; F17-V20 PolarHBondContact O-N 3.33Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 3.4Å; V20-A23 PolarHBondContact O-N 3.36Å; V20-L24 VanDerWaalsContact O-CB 3.29Å; V20-L24 WeakPolarHBondContact O-CB 3.47Å; V20-L24 PolarHBondContact O-N 2.95Å; V20-V82 HydrophobicContact CG1-CG1 3.7Å; V20-I86 HydrophobicContact CB-CD1 4.38Å; V20-I86 HydrophobicContact CG1-CD1 3.89Å
21	E	92.5	Very high	83.7	Confident	64 Å²	64	76.5 Å²	76.5	30%	0.299	47%	0.465	S	S	.	.	H	α-helix	trans	-63	-38.5	177.2	-70.6	171.3	170.2	0	0	111.7	F17 S18 L24 S25 I86 K90	F17-E21 HydrophobicContact CB-CG 4.42Å; F17-E21 WeakPolarHBondContact O-CG 3.48Å; F17-E21 PolarHBondContact O-N 3.38Å; S18-E21 PolarHBondContact O-N 2.79Å; E21-L24 PolarHBondContact O-N 3.24Å; E21-S25 WeakPolarHBondContact O-CB 3.29Å; E21-S25 PolarHBondContact O-N 2.92Å; E21-S25 PolarHBondContact O-OG 3.28Å; E21-I86 HydrophobicContact CG-CD1 4.21Å; E21-K90 IonicContact OE1-NZ 2.92Å; E21-K90 PolarHBondContact OE1-NZ 2.92Å
22	S	94.2	Very high	86	Confident	75 Å²	75	74 Å²	74	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-64.4	-49.3	172.9	-177.9	0	0	0	0	111.8	S18 V20 L24 S25 S26	S18-S22 WeakPolarHBondContact O-CB 3.17Å; S18-S22 PolarHBondContact O-N 2.92Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 3.4Å; S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 PolarHBondContact O-N 2.73Å; S22-S25 WeakPolarHBondContact O-CB 3.46Å; S22-S25 PolarHBondContact O-N 2.76Å; S22-S25 VanDerWaalsContact O-N 3.14Å; S22-S26 PolarHBondContact O-N 3.16Å; S22-S26 PolarHBondContact O-OG 3.47Å
23	A	93.6	Very high	88.2	Confident	61 Å²	61	72.2 Å²	72.2	50%	0.504	44%	0.444	S	S	.	.	H	α-helix	trans	-60.1	-39	176	0	0	0	0	0	112.2	G19 V20 S25 S26 L27	G19-A23 WeakPolarHBondContact O-CB 3.33Å; G19-A23 PolarHBondContact O-N 2.92Å; V20-A23 PolarHBondContact O-N 3.36Å; A23-S25 VanDerWaalsContact C-N 3.33Å; A23-S25 PolarHBondContact O-N 3.28Å; A23-S26 PolarHBondContact O-N 3.08Å; A23-L27 WeakPolarHBondContact O-CB 3.34Å; A23-L27 PolarHBondContact O-N 2.79Å
24	L	93.7	Very high	90	Very high	8 Å²	8	70.1 Å²	70.1	4%	0.042	42%	0.418	C	S	.	.	H	α-helix	trans	-64.7	-38.3	176.6	-159.2	67.5	0	0	0	112	V20 E21 S22 L27 K28 V79 V82 Q83	V20-L24 VanDerWaalsContact O-CB 3.29Å; V20-L24 WeakPolarHBondContact O-CB 3.47Å; V20-L24 PolarHBondContact O-N 2.95Å; E21-L24 PolarHBondContact O-N 3.24Å; S22-L24 VanDerWaalsContact C-N 3.29Å; S22-L24 PolarHBondContact O-N 2.73Å; L24-L27 PolarHBondContact O-N 3.25Å; L24-K28 WeakPolarHBondContact O-CG 3.28Å; L24-K28 PolarHBondContact O-N 3.47Å; L24-V79 HydrophobicContact CD1-CB 4.28Å; L24-V79 HydrophobicContact CD1-CG1 4.44Å; L24-V79 HydrophobicContact CD1-CG2 3.93Å; L24-V79 HydrophobicContact CD2-CG1 4.26Å; L24-V79 HydrophobicContact CG-CG1 4.28Å; L24-V79 HydrophobicContact CG-CG2 4.34Å; L24-V82 HydrophobicContact CD1-CB 3.95Å; L24-V82 HydrophobicContact CD1-CG1 3.99Å; L24-V82 HydrophobicContact CD1-CG2 4.31Å; L24-V82 HydrophobicContact CD2-CB 4.44Å; L24-V82 HydrophobicContact CD2-CG1 4.18Å; L24-Q83 HydrophobicContact CD2-CB 4.49Å
25	S	91.8	Very high	91.1	Very high	63 Å²	63	64.3 Å²	64.3	44%	0.441	40%	0.395	S	S	.	.	H	α-helix	trans	-66.8	-44.3	176.6	-58.4	0	0	0	0	111.2	E21 S22 A23 L27 K28 N29	E21-S25 WeakPolarHBondContact O-CB 3.29Å; E21-S25 PolarHBondContact O-N 2.92Å; E21-S25 PolarHBondContact O-OG 3.28Å; S22-S25 WeakPolarHBondContact O-CB 3.46Å; S22-S25 PolarHBondContact O-N 2.76Å; S22-S25 VanDerWaalsContact O-N 3.14Å; A23-S25 VanDerWaalsContact C-N 3.33Å; A23-S25 PolarHBondContact O-N 3.28Å; S25-L27 VanDerWaalsContact C-N 3.3Å; S25-L27 PolarHBondContact O-N 2.89Å; S25-K28 PolarHBondContact O-N 3.11Å; S25-N29 PolarHBondContact O-N 3.42Å
26	S	92.9	Very high	91.9	Very high	67 Å²	67	64.8 Å²	64.8	47%	0.469	40%	0.404	S	S	.	.	H	α-helix	trans	-60.5	-39.8	172.1	-62.7	0	0	0	0	112.2	S22 A23 N29	S22-S26 PolarHBondContact O-N 3.16Å; S22-S26 PolarHBondContact O-OG 3.47Å; A23-S26 PolarHBondContact O-N 3.08Å; S26-N29 WeakPolarHBondContact O-CB 3.08Å; S26-N29 PolarHBondContact O-N 3.28Å
27	L	91.4	Very high	92.2	Very high	51 Å²	51	61.1 Å²	61.1	27%	0.267	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-39.5	177	-176.1	60.9	0	0	0	112	A23 L24 S25 N29 F30 L75 Y78	A23-L27 WeakPolarHBondContact O-CB 3.34Å; A23-L27 PolarHBondContact O-N 2.79Å; L24-L27 PolarHBondContact O-N 3.25Å; S25-L27 VanDerWaalsContact C-N 3.3Å; S25-L27 PolarHBondContact O-N 2.89Å; L27-N29 PolarHBondContact O-N 3.23Å; L27-F30 HydrophobicContact CD1-CD2 4.42Å; L27-F30 WeakPolarHBondContact O-CB 3.39Å; L27-F30 PolarHBondContact O-N 3.25Å; L27-F30 VanDerWaalsContact O-N 3.13Å; L27-L75 HydrophobicContact CD1-CD1 3.54Å; L27-L75 HydrophobicContact CD2-CD1 4.1Å; L27-L75 HydrophobicContact CG-CD1 3.54Å; L27-Y78 HydrophobicContact CD2-CD1 3.58Å; L27-Y78 HydrophobicContact CD2-CE1 3.78Å
28	K	90.3	Very high	92.4	Very high	90 Å²	90	60.4 Å²	60.4	39%	0.391	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-32.5	173.6	-74.7	173.9	-177.1	176.2	0	112.5	L24 S25 F30 Q31 V79	L24-K28 WeakPolarHBondContact O-CG 3.28Å; L24-K28 PolarHBondContact O-N 3.47Å; S25-K28 PolarHBondContact O-N 3.11Å; K28-F30 PolarHBondContact O-N 2.79Å; K28-Q31 WeakPolarHBondContact O-CB 3.46Å; K28-Q31 PolarHBondContact O-N 2.88Å; K28-V79 HydrophobicContact CD-CG1 4.31Å; K28-V79 HydrophobicContact CG-CG1 4.18Å; K28-V79 HydrophobicContact CG-CG2 3.98Å
29	N	90.1	Very high	92.5	Very high	116 Å²	116	61 Å²	61	62%	0.62	38%	0.375	S	S	*	.	H	α-helix	trans	-64.2	-23.7	177.9	-65	-23.1	0	0	0	112.8	S25 S26 L27 Q31 A32	S25-N29 PolarHBondContact O-N 3.42Å; S26-N29 WeakPolarHBondContact O-CB 3.08Å; S26-N29 PolarHBondContact O-N 3.28Å; L27-N29 PolarHBondContact O-N 3.23Å; N29-Q31 PolarHBondContact O-N 3.47Å; N29-A32 WeakPolarHBondContact O-CB 3.27Å; N29-A32 PolarHBondContact O-N 2.83Å; N29-A32 VanDerWaalsContact O-N 3.17Å
30	F	89.6	Confident	92.5	Very high	126 Å²	126	62.5 Å²	62.5	55%	0.553	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.7	172.9	-82.5	-86.8	0	0	0	113.4	L27 K28 A32 C33 I34	L27-F30 HydrophobicContact CD1-CD2 4.42Å; L27-F30 WeakPolarHBondContact O-CB 3.39Å; L27-F30 PolarHBondContact O-N 3.25Å; L27-F30 VanDerWaalsContact O-N 3.13Å; K28-F30 PolarHBondContact O-N 2.79Å; F30-A32 PolarHBondContact O-N 2.82Å; F30-C33 WeakPolarHBondContact O-CB 3.26Å; F30-C33 PolarHBondContact O-N 2.93Å; F30-I34 PolarHBondContact O-N 3.07Å
31	Q	91.3	Very high	92.5	Very high	60 Å²	60	59.4 Å²	59.4	28%	0.28	36%	0.355	S	S	.	.	H	α-helix	trans	-58.7	-31.8	174	-159.7	174.8	-0	0	0	111.9	K28 N29 C33 I34 N35 D72 L75	K28-Q31 WeakPolarHBondContact O-CB 3.46Å; K28-Q31 PolarHBondContact O-N 2.88Å; N29-Q31 PolarHBondContact O-N 3.47Å; Q31-C33 VanDerWaalsContact C-N 3.33Å; Q31-C33 PolarHBondContact O-N 3.26Å; Q31-I34 PolarHBondContact O-N 3.45Å; Q31-N35 WeakPolarHBondContact O-CB 3.44Å; Q31-N35 PolarHBondContact O-N 2.98Å; Q31-N35 PolarHBondContact O-ND2 2.98Å; Q31-D72 WeakPolarHBondContact CG-OD1 3.32Å; Q31-D72 PolarHBondContact NE2-OD1 3.03Å; Q31-L75 HydrophobicContact CB-CD2 4.05Å; Q31-L75 HydrophobicContact CG-CD2 4.49Å
32	A	92.1	Very high	92.5	Very high	65 Å²	65	57.1 Å²	57.1	54%	0.537	35%	0.346	S	S	.	.	H	α-helix	trans	-63.2	-37.5	173.8	0	0	0	0	0	112.5	N29 F30 N35 S36	N29-A32 WeakPolarHBondContact O-CB 3.27Å; N29-A32 PolarHBondContact O-N 2.83Å; N29-A32 VanDerWaalsContact O-N 3.17Å; F30-A32 PolarHBondContact O-N 2.82Å; A32-N35 PolarHBondContact O-N 3.49Å; A32-S36 WeakPolarHBondContact O-CB 3.3Å; A32-S36 PolarHBondContact O-N 2.95Å
33	C	92.9	Very high	92.3	Very high	81 Å²	81	56.6 Å²	56.6	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-66.4	-42.3	176.4	-59.2	0	0	0	0	111.5	F30 Q31 S36 G37	F30-C33 WeakPolarHBondContact O-CB 3.26Å; F30-C33 PolarHBondContact O-N 2.93Å; Q31-C33 VanDerWaalsContact C-N 3.33Å; Q31-C33 PolarHBondContact O-N 3.26Å; C33-S36 PolarHBondContact O-N 3.22Å; C33-G37 PolarHBondContact O-N 3.44Å
34	I	93.6	Very high	92.1	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.067	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-48	175.9	-61.5	171.8	0	0	0	109.8	F30 Q31 S36 G37 M38 F68 M71 D72 L75	F30-I34 PolarHBondContact O-N 3.07Å; Q31-I34 PolarHBondContact O-N 3.45Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 3.43Å; I34-G37 WeakPolarHBondContact O-CA 3.2Å; I34-G37 PolarHBondContact O-N 3.45Å; I34-G37 VanDerWaalsContact O-N 3.09Å; I34-M38 HydrophobicContact CG2-SD 4.38Å; I34-M38 WeakPolarHBondContact O-CG 3.3Å; I34-M38 PolarHBondContact O-N 3.27Å; I34-F68 HydrophobicContact CG2-CB 4.09Å; I34-F68 HydrophobicContact CG2-CD1 4.09Å; I34-F68 WeakPolarHBondContact CG2-O 3.36Å; I34-M71 HydrophobicContact CD1-CB 4.3Å; I34-M71 HydrophobicContact CD1-CG 4.18Å; I34-M71 HydrophobicContact CD1-SD 4.38Å; I34-M71 HydrophobicContact CG1-SD 4.34Å; I34-D72 HydrophobicContact CD1-CB 4.45Å; I34-D72 HydrophobicContact CG2-CB 4.02Å; I34-L75 HydrophobicContact CD1-CD2 3.96Å
35	N	92.4	Very high	91.8	Very high	48 Å²	48	56.5 Å²	56.5	26%	0.257	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-41.9	177.5	-80.4	-30.7	0	0	0	113	Q31 A32 G37 M38 D39 K125	Q31-N35 WeakPolarHBondContact O-CB 3.44Å; Q31-N35 PolarHBondContact O-N 2.98Å; Q31-N35 PolarHBondContact O-ND2 2.98Å; A32-N35 PolarHBondContact O-N 3.49Å; N35-G37 VanDerWaalsContact C-N 3.35Å; N35-M38 PolarHBondContact O-N 2.94Å; N35-D39 VanDerWaalsContact O-CG 3.27Å; N35-D39 PolarHBondContact O-N 2.91Å; N35-K125 HydrophobicContact CB-CD 4.42Å; N35-K125 PolarHBondContact O-NZ 3.13Å
36	S	94.4	Very high	91.5	Very high	68 Å²	68	55.4 Å²	55.4	48%	0.476	33%	0.325	S	S	.	.	H	α-helix	trans	-67.5	-35.7	176.1	-175.5	0	0	0	0	112.3	A32 C33 I34 D39 T40	A32-S36 WeakPolarHBondContact O-CB 3.3Å; A32-S36 PolarHBondContact O-N 2.95Å; C33-S36 PolarHBondContact O-N 3.22Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-S36 PolarHBondContact O-N 3.43Å; S36-D39 PolarHBondContact O-N 3.29Å; S36-T40 PolarHBondContact O-N 3.23Å; S36-T40 VanDerWaalsContact O-N 3.09Å; S36-T40 PolarHBondContact O-OG1 2.96Å
37	G	93.8	Very high	91.1	Very high	16 Å²	16	57.2 Å²	57.2	17%	0.165	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-43.7	173.5	0	0	0	0	0	111.7	C33 I34 N35 T40 A41	C33-G37 PolarHBondContact O-N 3.44Å; I34-G37 WeakPolarHBondContact O-CA 3.2Å; I34-G37 PolarHBondContact O-N 3.45Å; I34-G37 VanDerWaalsContact O-N 3.09Å; N35-G37 VanDerWaalsContact C-N 3.35Å; G37-T40 PolarHBondContact O-N 3.4Å; G37-A41 VanDerWaalsContact O-CB 3.31Å; G37-A41 WeakPolarHBondContact O-CB 3.33Å; G37-A41 PolarHBondContact O-N 3.47Å
38	M	94.3	Very high	90.7	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-61.1	-44.7	174.3	-65.9	-178.5	82.5	0	0	112	I34 N35 T40 A41 S42 M65 F68 A69 N123 K125 F126	I34-M38 HydrophobicContact CG2-SD 4.38Å; I34-M38 WeakPolarHBondContact O-CG 3.3Å; I34-M38 PolarHBondContact O-N 3.27Å; N35-M38 PolarHBondContact O-N 2.94Å; M38-T40 VanDerWaalsContact C-N 3.33Å; M38-T40 PolarHBondContact O-N 3.09Å; M38-A41 PolarHBondContact O-N 3.37Å; M38-S42 WeakPolarHBondContact O-CB 3.2Å; M38-S42 PolarHBondContact O-N 3.34Å; M38-M65 HydrophobicContact CB-CE 4.23Å; M38-M65 HydrophobicContact CB-SD 3.82Å; M38-M65 HydrophobicContact CE-CG 4.38Å; M38-M65 HydrophobicContact CE-SD 3.27Å; M38-M65 WeakPolarHBondContact CE-SD 3.42Å; M38-M65 HydrophobicContact CG-SD 3.79Å; M38-M65 VanDerWaalsContact O-CE 3.24Å; M38-M65 WeakPolarHBondContact O-CE 3.37Å; M38-M65 HydrophobicContact SD-SD 4.41Å; M38-F68 HydrophobicContact CG-CB 3.43Å; M38-F68 VanDerWaalsContact CG-CB 3.43Å; M38-F68 HydrophobicContact CG-CD2 4.23Å; M38-F68 HydrophobicContact CG-CG 3.94Å; M38-F68 HydrophobicContact SD-CB 4.16Å; M38-A69 HydrophobicContact CE-CB 4.29Å; M38-N123 WeakPolarHBondContact CE-OD1 3.23Å; M38-K125 HydrophobicContact CB-CD 4.13Å; M38-K125 HydrophobicContact CE-CB 3.84Å; M38-K125 HydrophobicContact SD-CB 4.23Å; M38-K125 HydrophobicContact SD-CD 4.38Å; M38-F126 HydrophobicContact CE-CB 4.14Å
39	D	93.1	Very high	90	Very high	88 Å²	88	53.6 Å²	53.6	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-44	178.6	-65.6	-26.9	0	0	0	111.6	N35 S36 A41 S42 S43 K125	N35-D39 VanDerWaalsContact O-CG 3.27Å; N35-D39 PolarHBondContact O-N 2.91Å; S36-D39 PolarHBondContact O-N 3.29Å; D39-A41 VanDerWaalsContact C-N 3.34Å; D39-S42 PolarHBondContact O-N 3.26Å; D39-S43 PolarHBondContact O-N 2.85Å; D39-K125 IonicContact OD1-NZ 3.95Å; D39-K125 PolarHBondContact OD1-NZ 2.82Å; D39-K125 IonicContact OD2-NZ 3.95Å; D39-K125 PolarHBondContact OD2-NZ 2.83Å
40	T	93.1	Very high	89.2	Confident	84 Å²	84	49.4 Å²	49.4	52%	0.515	30%	0.3	S	S	.	.	H	α-helix	trans	-63.3	-44.5	177	-56.7	0	0	0	0	110.4	S36 G37 M38 S42 S43 V44	S36-T40 PolarHBondContact O-N 3.23Å; S36-T40 VanDerWaalsContact O-N 3.09Å; S36-T40 PolarHBondContact O-OG1 2.96Å; G37-T40 PolarHBondContact O-N 3.4Å; M38-T40 VanDerWaalsContact C-N 3.33Å; M38-T40 PolarHBondContact O-N 3.09Å; T40-S42 VanDerWaalsContact C-N 3.33Å; T40-S42 PolarHBondContact O-N 3.21Å; T40-S43 PolarHBondContact O-N 3.14Å; T40-V44 HydrophobicContact CG2-CG2 4.49Å; T40-V44 VanDerWaalsContact O-CG2 3.31Å; T40-V44 WeakPolarHBondContact O-CG2 3.4Å; T40-V44 PolarHBondContact O-N 2.88Å
41	A	92.4	Very high	88.4	Confident	3 Å²	3	45 Å²	45	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-41.4	179.8	0	0	0	0	0	112.1	G37 M38 D39 A45 M61 M65 F68	G37-A41 VanDerWaalsContact O-CB 3.31Å; G37-A41 WeakPolarHBondContact O-CB 3.33Å; G37-A41 PolarHBondContact O-N 3.47Å; M38-A41 PolarHBondContact O-N 3.37Å; D39-A41 VanDerWaalsContact C-N 3.34Å; A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.44Å; A41-M61 HydrophobicContact CB-CE 3.52Å; A41-M61 WeakPolarHBondContact O-CE 3.43Å; A41-M65 HydrophobicContact CB-CE 4.07Å; A41-F68 HydrophobicContact CB-CE2 4.38Å
42	S	91.7	Very high	87.2	Confident	15 Å²	15	45.5 Å²	45.5	11%	0.105	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-51	175	-172.5	0	0	0	0	111.5	M38 D39 T40 V44 A45 L46	M38-S42 WeakPolarHBondContact O-CB 3.2Å; M38-S42 PolarHBondContact O-N 3.34Å; D39-S42 PolarHBondContact O-N 3.26Å; T40-S42 VanDerWaalsContact C-N 3.33Å; T40-S42 PolarHBondContact O-N 3.21Å; S42-V44 VanDerWaalsContact C-N 3.34Å; S42-V44 PolarHBondContact O-N 2.79Å; S42-A45 WeakPolarHBondContact O-CB 3.46Å; S42-A45 PolarHBondContact O-N 3.46Å; S42-A45 VanDerWaalsContact O-N 3.14Å; S42-L46 WeakPolarHBondContact O-CG 3.16Å; S42-L46 PolarHBondContact O-N 3.27Å
43	S	89.6	Confident	85.8	Confident	64 Å²	64	46 Å²	46	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-55.8	-48.9	179	-171.1	0	0	0	0	111.8	D39 T40 A45 L46 D47	D39-S43 PolarHBondContact O-N 2.85Å; T40-S43 PolarHBondContact O-N 3.14Å; S43-A45 VanDerWaalsContact C-N 3.33Å; S43-A45 PolarHBondContact O-N 3.14Å; S43-L46 PolarHBondContact O-N 3.3Å; S43-D47 PolarHBondContact O-N 3Å
44	V	89.7	Confident	83.9	Confident	61 Å²	61	47.9 Å²	47.9	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-42	179.4	171.9	0	0	0	0	110.8	T40 S42 L46 D47 L48 M61	T40-V44 HydrophobicContact CG2-CG2 4.49Å; T40-V44 VanDerWaalsContact O-CG2 3.31Å; T40-V44 WeakPolarHBondContact O-CG2 3.4Å; T40-V44 PolarHBondContact O-N 2.88Å; S42-V44 VanDerWaalsContact C-N 3.34Å; S42-V44 PolarHBondContact O-N 2.79Å; V44-L46 PolarHBondContact O-N 2.82Å; V44-D47 PolarHBondContact O-N 3Å; V44-L48 HydrophobicContact CG1-CD1 3.79Å; V44-L48 HydrophobicContact CG1-CG 4.34Å; V44-L48 WeakPolarHBondContact O-CB 3.28Å; V44-L48 WeakPolarHBondContact O-CD1 3.4Å; V44-L48 WeakPolarHBondContact O-CG 3.24Å; V44-L48 PolarHBondContact O-N 2.63Å; V44-M61 HydrophobicContact CB-CE 4.07Å; V44-M61 HydrophobicContact CB-SD 4.47Å; V44-M61 HydrophobicContact CG1-CE 4.14Å; V44-M61 HydrophobicContact CG1-CG 4.13Å; V44-M61 HydrophobicContact CG1-SD 3.91Å
45	A	87.8	Confident	82.2	Confident	6 Å²	6	50.3 Å²	50.3	5%	0.05	30%	0.299	C	S	.	.	H	α-helix	trans	-61.6	-43	177.5	0	0	0	0	0	112.7	A41 S42 S43 L48 V49 M61 F129 L133	A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.44Å; S42-A45 WeakPolarHBondContact O-CB 3.46Å; S42-A45 PolarHBondContact O-N 3.46Å; S42-A45 VanDerWaalsContact O-N 3.14Å; S43-A45 VanDerWaalsContact C-N 3.33Å; S43-A45 PolarHBondContact O-N 3.14Å; A45-L48 PolarHBondContact O-N 3.11Å; A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 3.42Å; A45-V49 VanDerWaalsContact O-N 3.09Å; A45-M61 HydrophobicContact CB-CB 3.53Å; A45-M61 HydrophobicContact CB-CG 3.89Å; A45-F129 HydrophobicContact CB-CE2 3.56Å; A45-F129 HydrophobicContact CB-CZ 4.25Å; A45-L133 HydrophobicContact CB-CD2 4.2Å
46	L	85	Confident	80.3	Confident	40 Å²	40	51.3 Å²	51.3	21%	0.209	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-42.8	179.1	-65.7	171.4	0	0	0	111.1	S42 S43 V44 L48 V49 G50 Q132 L133 L136	S42-L46 WeakPolarHBondContact O-CG 3.16Å; S42-L46 PolarHBondContact O-N 3.27Å; S43-L46 PolarHBondContact O-N 3.3Å; V44-L46 PolarHBondContact O-N 2.82Å; L46-L48 VanDerWaalsContact C-N 3.33Å; L46-L48 PolarHBondContact O-N 3.48Å; L46-V49 PolarHBondContact O-N 3.4Å; L46-G50 PolarHBondContact O-N 3.25Å; L46-Q132 HydrophobicContact CD1-CB 4.49Å; L46-Q132 HydrophobicContact CD2-CB 3.93Å; L46-L133 HydrophobicContact CD2-CD2 4.08Å; L46-L133 HydrophobicContact CD2-CG 4.36Å; L46-L136 HydrophobicContact CB-CD2 4.21Å; L46-L136 HydrophobicContact CD2-CD2 3.79Å; L46-L136 WeakPolarHBondContact O-CD2 3.43Å
47	D	84.3	Confident	78.5	Confident	106 Å²	106	53.5 Å²	53.5	57%	0.567	33%	0.325	S	S	*	.	H	α-helix	trans	-63.9	-37.9	176.5	-70.3	-25	0	0	0	112.2	S43 V44 G50 S51	S43-D47 PolarHBondContact O-N 3Å; V44-D47 PolarHBondContact O-N 3Å; D47-G50 PolarHBondContact O-N 3.17Å; D47-S51 VanDerWaalsContact O-CB 3.29Å; D47-S51 WeakPolarHBondContact O-CB 3.49Å; D47-S51 PolarHBondContact O-N 3.03Å; D47-S51 PolarHBondContact O-OG 2.8Å
48	L	82.3	Confident	76.2	Confident	43 Å²	43	59 Å²	59	23%	0.225	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-44	175.9	-73.5	164.6	0	0	0	111.6	V44 A45 L46 S51 Q52 T53 V55 M61	V44-L48 HydrophobicContact CG1-CD1 3.79Å; V44-L48 HydrophobicContact CG1-CG 4.34Å; V44-L48 WeakPolarHBondContact O-CB 3.28Å; V44-L48 WeakPolarHBondContact O-CD1 3.4Å; V44-L48 WeakPolarHBondContact O-CG 3.24Å; V44-L48 PolarHBondContact O-N 2.63Å; A45-L48 PolarHBondContact O-N 3.11Å; L46-L48 VanDerWaalsContact C-N 3.33Å; L46-L48 PolarHBondContact O-N 3.48Å; L48-S51 WeakPolarHBondContact CA-OG 3.29Å; L48-S51 PolarHBondContact O-N 3.26Å; L48-S51 PolarHBondContact O-OG 3.29Å; L48-S51 VanDerWaalsContact O-OG 3.04Å; L48-Q52 PolarHBondContact O-N 3.43Å; L48-T53 HydrophobicContact CD2-CG2 4.12Å; L48-T53 PolarHBondContact O-N 2.82Å; L48-T53 VanDerWaalsContact O-N 3.08Å; L48-V55 HydrophobicContact CB-CG2 4.31Å; L48-V55 HydrophobicContact CD1-CG2 3.7Å; L48-V55 HydrophobicContact CD2-CG2 3.62Å; L48-V55 HydrophobicContact CG-CG2 4.07Å; L48-M61 HydrophobicContact CD1-CG 3.99Å
49	V	77.3	Confident	74.4	Confident	22 Å²	22	67.1 Å²	67.1	13%	0.133	38%	0.379	C	S	.	.	H	α-helix	trans	-66.2	-45.6	175.4	173.5	0	0	0	0	110.8	A45 L46 S51 Q52 L133 L136 K137 Y140 L142	A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 3.42Å; A45-V49 VanDerWaalsContact O-N 3.09Å; L46-V49 PolarHBondContact O-N 3.4Å; V49-S51 VanDerWaalsContact C-N 3.28Å; V49-S51 PolarHBondContact O-N 3.41Å; V49-Q52 PolarHBondContact O-N 2.9Å; V49-L133 HydrophobicContact CG2-CD2 3.76Å; V49-L136 HydrophobicContact CB-CD2 3.79Å; V49-L136 HydrophobicContact CB-CG 4.46Å; V49-L136 HydrophobicContact CG1-CB 4.33Å; V49-L136 HydrophobicContact CG1-CD2 3.69Å; V49-L136 HydrophobicContact CG1-CG 3.8Å; V49-K137 HydrophobicContact CG1-CG 4.29Å; V49-Y140 HydrophobicContact CG1-CD2 4.38Å; V49-L142 HydrophobicContact CG1-CD1 4.31Å
50	G	71.8	Confident	73.6	Confident	28 Å²	28	64.7 Å²	64.7	29%	0.289	37%	0.368	S	S	.	.	H	α-helix	trans	-63.7	-31.7	179	0	0	0	0	0	113.4	L46 D47 Q52	L46-G50 PolarHBondContact O-N 3.25Å; D47-G50 PolarHBondContact O-N 3.17Å; G50-Q52 VanDerWaalsContact C-N 3.34Å
51	S	74.1	Confident	73.2	Confident	34 Å²	34	62.7 Å²	62.7	24%	0.238	35%	0.353	C	S	.	.	H	α-helix	trans	-81.9	-8.8	174.7	58.8	0	0	0	0	114.1	D47 L48 V49 T53 R233	D47-S51 VanDerWaalsContact O-CB 3.29Å; D47-S51 WeakPolarHBondContact O-CB 3.49Å; D47-S51 PolarHBondContact O-N 3.03Å; D47-S51 PolarHBondContact O-OG 2.8Å; L48-S51 WeakPolarHBondContact CA-OG 3.29Å; L48-S51 PolarHBondContact O-N 3.26Å; L48-S51 PolarHBondContact O-OG 3.29Å; L48-S51 VanDerWaalsContact O-OG 3.04Å; V49-S51 VanDerWaalsContact C-N 3.28Å; V49-S51 PolarHBondContact O-N 3.41Å; S51-T53 WeakPolarHBondContact CB-OG1 3.49Å; S51-T53 PolarHBondContact O-N 3.13Å; S51-T53 PolarHBondContact OG-OG1 2.68Å; S51-R233 PolarHBondContact O-NH1 3.07Å
52	Q	65.7	Low	72.8	Confident	70 Å²	70	64.6 Å²	64.6	33%	0.327	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	33.6	-170.4	-62.2	173.3	56.6	0	0	112.3	L48 V49 G50 E54	L48-Q52 PolarHBondContact O-N 3.43Å; V49-Q52 PolarHBondContact O-N 2.9Å; G50-Q52 VanDerWaalsContact C-N 3.34Å; Q52-E54 PolarHBondContact O-N 3.09Å
53	T	62.5	Low	72.5	Confident	76 Å²	76	69.3 Å²	69.3	47%	0.466	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-80.1	116.4	176.7	-56.5	0	0	0	0	108.5	L48 S51 V55	L48-T53 HydrophobicContact CD2-CG2 4.12Å; L48-T53 PolarHBondContact O-N 2.82Å; L48-T53 VanDerWaalsContact O-N 3.08Å; S51-T53 WeakPolarHBondContact CB-OG1 3.49Å; S51-T53 PolarHBondContact O-N 3.13Å; S51-T53 PolarHBondContact OG-OG1 2.68Å; T53-V55 PolarHBondContact O-N 3.25Å
54	E	54.1	Low	72.6	Confident	120 Å²	120	67.5 Å²	67.5	56%	0.561	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-71	119	171.9	-74.4	-162.9	143	0	0	110.3	Q52 R241	Q52-E54 PolarHBondContact O-N 3.09Å; E54-R241 IonicContact OE1-CZ 3.18Å; E54-R241 IonicContact OE1-NH2 2.65Å; E54-R241 PolarHBondContact OE1-NH2 3.48Å; E54-R241 IonicContact OE2-CZ 2.63Å; E54-R241 IonicContact OE2-NE 3.68Å; E54-R241 PolarHBondContact OE2-NE 2.87Å; E54-R241 IonicContact OE2-NH2 4Å; E54-R241 PolarHBondContact OE2-NH2 2.87Å
55	V	56.7	Low	72.7	Confident	64 Å²	64	64.7 Å²	64.7	39%	0.388	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-99.4	137.7	173.3	-171.4	0	0	0	0	108.3	L48 T53 S57 Y59	L48-V55 HydrophobicContact CB-CG2 4.31Å; L48-V55 HydrophobicContact CD1-CG2 3.7Å; L48-V55 HydrophobicContact CD2-CG2 3.62Å; L48-V55 HydrophobicContact CG-CG2 4.07Å; T53-V55 PolarHBondContact O-N 3.25Å; V55-S57 PolarHBondContact O-N 3.39Å; V55-Y59 WeakPolarHBondContact CG1-O 3.26Å
56	S	53.5	Low	72.7	Confident	68 Å²	68	66.9 Å²	66.9	48%	0.476	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-51.8	135.2	170.4	175.6	0	0	0	0	109.9	E58 Y59	S56-E58 PolarHBondContact O-N 3.28Å; S56-E58 PolarHBondContact OG-N 3.08Å; S56-Y59 PolarHBondContact O-N 3.23Å
57	S	56	Low	73	Confident	114 Å²	114	70 Å²	70	80%	0.797	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-55.5	-23	177.2	65.2	0	0	0	0	113.1	V55 Y59	V55-S57 PolarHBondContact O-N 3.39Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.34Å
58	E	44.5	Very low	73.4	Confident	133 Å²	133	67.6 Å²	67.6	62%	0.621	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-70.8	-24.5	178.1	-168.1	171.1	-162.8	0	0	113.7	S56	S56-E58 PolarHBondContact O-N 3.28Å; S56-E58 PolarHBondContact OG-N 3.08Å
59	Y	58.2	Low	73.9	Confident	171 Å²	171	65.8 Å²	65.8	67%	0.671	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-118.2	34.2	-179.3	-68.6	-83.7	0	0	0	112.2	V55 S56 S57	V55-Y59 WeakPolarHBondContact CG1-O 3.26Å; S56-Y59 PolarHBondContact O-N 3.23Å; S57-Y59 VanDerWaalsContact C-N 3.33Å; S57-Y59 PolarHBondContact O-N 3.34Å
60	S	74.6	Confident	74.5	Confident	36 Å²	36	66.4 Å²	66.4	25%	0.252	36%	0.359	S	S	.	.			trans	-69.2	136.5	178.3	87.1	0	0	0	0	110.8	D62 K63 A64	S60-D62 PolarHBondContact O-N 2.89Å; S60-K63 WeakPolarHBondContact O-CB 3.46Å; S60-K63 PolarHBondContact O-N 2.9Å; S60-K63 PolarHBondContact OG-N 3.27Å; S60-A64 PolarHBondContact O-N 3.05Å
61	M	86.7	Confident	75.5	Confident	42 Å²	42	69.5 Å²	69.5	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-22.5	173.3	-61	-51.1	-61.3	0	0	111.7	A41 V44 A45 L48 K63 A64 M65	A41-M61 HydrophobicContact CB-CE 3.52Å; A41-M61 WeakPolarHBondContact O-CE 3.43Å; V44-M61 HydrophobicContact CB-CE 4.07Å; V44-M61 HydrophobicContact CB-SD 4.47Å; V44-M61 HydrophobicContact CG1-CE 4.14Å; V44-M61 HydrophobicContact CG1-CG 4.13Å; V44-M61 HydrophobicContact CG1-SD 3.91Å; A45-M61 HydrophobicContact CB-CB 3.53Å; A45-M61 HydrophobicContact CB-CG 3.89Å; L48-M61 HydrophobicContact CD1-CG 3.99Å; M61-K63 VanDerWaalsContact C-N 3.33Å; M61-K63 PolarHBondContact O-N 2.75Å; M61-A64 HydrophobicContact CE-CB 4.48Å; M61-A64 PolarHBondContact O-N 3.27Å; M61-M65 VanDerWaalsContact O-CB 3.32Å; M61-M65 WeakPolarHBondContact O-CB 3.38Å; M61-M65 PolarHBondContact O-N 3.17Å
62	D	82.9	Confident	76.3	Confident	44 Å²	44	68.8 Å²	68.8	24%	0.235	36%	0.361	C	S	.	.	H	α-helix	trans	-57.2	-43.5	168.8	-70.7	-91.9	0	0	0	111.9	S60 M65 V66 K130	S60-D62 PolarHBondContact O-N 2.89Å; D62-M65 WeakPolarHBondContact O-CB 3.32Å; D62-M65 PolarHBondContact O-N 3.04Å; D62-V66 WeakPolarHBondContact O-CG2 3.28Å; D62-V66 PolarHBondContact O-N 3.38Å; D62-K130 IonicContact OD1-NZ 3.28Å; D62-K130 PolarHBondContact OD1-NZ 2.94Å
63	K	86.3	Confident	77.5	Confident	114 Å²	114	67.5 Å²	67.5	50%	0.496	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-46.6	178.1	-173.6	-177.2	176.2	-173.6	0	111.4	S60 M61 M65 V66 E67	S60-K63 WeakPolarHBondContact O-CB 3.46Å; S60-K63 PolarHBondContact O-N 2.9Å; S60-K63 PolarHBondContact OG-N 3.27Å; M61-K63 VanDerWaalsContact C-N 3.33Å; M61-K63 PolarHBondContact O-N 2.75Å; K63-M65 PolarHBondContact O-N 3.22Å; K63-V66 PolarHBondContact O-N 3.3Å; K63-E67 WeakPolarHBondContact CE-OE1 3.39Å; K63-E67 WeakPolarHBondContact O-CG 3.38Å; K63-E67 PolarHBondContact O-N 3.06Å
64	A	90.4	Very high	78.9	Confident	26 Å²	26	68 Å²	68	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-39	175.4	0	0	0	0	0	111.4	S60 M61 E67 F68	S60-A64 PolarHBondContact O-N 3.05Å; M61-A64 HydrophobicContact CE-CB 4.48Å; M61-A64 PolarHBondContact O-N 3.27Å; A64-E67 PolarHBondContact O-N 3.12Å; A64-F68 WeakPolarHBondContact O-CD2 3.41Å; A64-F68 PolarHBondContact O-N 3.24Å
65	M	91.4	Very high	80.8	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-65.7	-41.5	177.2	-169.7	61.2	74.6	0	0	112.3	M38 A41 M61 D62 K63 E67 F68 A69 F126 F129	M38-M65 HydrophobicContact CB-CE 4.23Å; M38-M65 HydrophobicContact CB-SD 3.82Å; M38-M65 HydrophobicContact CE-CG 4.38Å; M38-M65 HydrophobicContact CE-SD 3.27Å; M38-M65 WeakPolarHBondContact CE-SD 3.42Å; M38-M65 HydrophobicContact CG-SD 3.79Å; M38-M65 VanDerWaalsContact O-CE 3.24Å; M38-M65 WeakPolarHBondContact O-CE 3.37Å; M38-M65 HydrophobicContact SD-SD 4.41Å; A41-M65 HydrophobicContact CB-CE 4.07Å; M61-M65 VanDerWaalsContact O-CB 3.32Å; M61-M65 WeakPolarHBondContact O-CB 3.38Å; M61-M65 PolarHBondContact O-N 3.17Å; D62-M65 WeakPolarHBondContact O-CB 3.32Å; D62-M65 PolarHBondContact O-N 3.04Å; K63-M65 PolarHBondContact O-N 3.22Å; M65-E67 VanDerWaalsContact C-N 3.34Å; M65-F68 PolarHBondContact O-N 3.13Å; M65-A69 WeakPolarHBondContact O-CB 3.31Å; M65-A69 PolarHBondContact O-N 3.34Å; M65-F126 HydrophobicContact CB-CD2 4.47Å; M65-F126 HydrophobicContact CB-CE2 4.4Å; M65-F126 HydrophobicContact CG-CD2 3.54Å; M65-F126 HydrophobicContact CG-CE2 3.87Å; M65-F126 HydrophobicContact CG-CG 4.49Å; M65-F129 HydrophobicContact CB-CD1 4.22Å; M65-F129 HydrophobicContact CB-CE1 3.93Å; M65-F129 HydrophobicContact CB-CZ 4.22Å; M65-F129 HydrophobicContact CE-CB 3.94Å; M65-F129 HydrophobicContact CE-CD1 4.23Å; M65-F129 HydrophobicContact CE-CD2 3.68Å; M65-F129 HydrophobicContact CE-CE2 4.11Å; M65-F129 HydrophobicContact CE-CG 3.69Å; M65-F129 HydrophobicContact CG-CD1 3.66Å; M65-F129 HydrophobicContact CG-CE1 3.9Å; M65-F129 HydrophobicContact CG-CG 4.08Å; M65-F129 HydrophobicContact CG-CZ 4.47Å
66	V	89.3	Confident	82.4	Confident	53 Å²	53	62.4 Å²	62.4	32%	0.321	32%	0.322	S	S	.	.	H	α-helix	trans	-63.2	-40.3	173.3	171.3	0	0	0	0	111.4	D62 K63 A69 T70 F120 F126	D62-V66 WeakPolarHBondContact O-CG2 3.28Å; D62-V66 PolarHBondContact O-N 3.38Å; K63-V66 PolarHBondContact O-N 3.3Å; V66-A69 PolarHBondContact O-N 3.04Å; V66-T70 VanDerWaalsContact O-CB 3.3Å; V66-T70 WeakPolarHBondContact O-CB 3.21Å; V66-T70 PolarHBondContact O-N 3.41Å; V66-T70 PolarHBondContact O-OG1 3.37Å; V66-F120 HydrophobicContact CG1-CE1 4.36Å; V66-F120 HydrophobicContact CG1-CZ 4.02Å; V66-F126 HydrophobicContact CG2-CE2 3.76Å; V66-F126 HydrophobicContact CG2-CZ 4.06Å
67	E	90.9	Very high	84.4	Confident	105 Å²	105	60.4 Å²	60.4	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-63.4	-47	177	-73.7	175.1	-170.2	0	0	111.4	K63 A64 M65 T70 M71	K63-E67 WeakPolarHBondContact CE-OE1 3.39Å; K63-E67 WeakPolarHBondContact O-CG 3.38Å; K63-E67 PolarHBondContact O-N 3.06Å; A64-E67 PolarHBondContact O-N 3.12Å; M65-E67 VanDerWaalsContact C-N 3.34Å; E67-T70 PolarHBondContact O-N 2.87Å; E67-M71 WeakPolarHBondContact O-CB 3.5Å; E67-M71 PolarHBondContact O-N 3.11Å
68	F	93.3	Very high	86.2	Confident	56 Å²	56	59.9 Å²	59.9	25%	0.246	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-44.8	175.3	-77	-57.8	0	0	0	112.5	I34 M38 A41 A64 M65 T70 M71 D72	I34-F68 HydrophobicContact CG2-CB 4.09Å; I34-F68 HydrophobicContact CG2-CD1 4.09Å; I34-F68 WeakPolarHBondContact CG2-O 3.36Å; M38-F68 HydrophobicContact CG-CB 3.43Å; M38-F68 VanDerWaalsContact CG-CB 3.43Å; M38-F68 HydrophobicContact CG-CD2 4.23Å; M38-F68 HydrophobicContact CG-CG 3.94Å; M38-F68 HydrophobicContact SD-CB 4.16Å; A41-F68 HydrophobicContact CB-CE2 4.38Å; A64-F68 WeakPolarHBondContact O-CD2 3.41Å; A64-F68 PolarHBondContact O-N 3.24Å; M65-F68 PolarHBondContact O-N 3.13Å; F68-T70 VanDerWaalsContact C-N 3.29Å; F68-T70 PolarHBondContact O-N 2.92Å; F68-M71 PolarHBondContact O-N 2.61Å; F68-D72 PolarHBondContact O-N 2.72Å
69	A	91.4	Very high	88.6	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-37.4	177.5	0	0	0	0	0	112	M38 M65 V66 R73 F120 F126	M38-A69 HydrophobicContact CE-CB 4.29Å; M65-A69 WeakPolarHBondContact O-CB 3.31Å; M65-A69 PolarHBondContact O-N 3.34Å; V66-A69 PolarHBondContact O-N 3.04Å; A69-R73 PolarHBondContact O-N 2.99Å; A69-F120 HydrophobicContact CB-CD1 3.8Å; A69-F120 HydrophobicContact CB-CE1 3.85Å; A69-F126 HydrophobicContact CB-CD2 3.99Å
70	T	91.1	Very high	90.4	Very high	35 Å²	35	52 Å²	52	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-42.9	174.2	-62.5	0	0	0	0	111.4	V66 E67 F68 R73 Q74	V66-T70 VanDerWaalsContact O-CB 3.3Å; V66-T70 WeakPolarHBondContact O-CB 3.21Å; V66-T70 PolarHBondContact O-N 3.41Å; V66-T70 PolarHBondContact O-OG1 3.37Å; E67-T70 PolarHBondContact O-N 2.87Å; F68-T70 VanDerWaalsContact C-N 3.29Å; F68-T70 PolarHBondContact O-N 2.92Å; T70-R73 PolarHBondContact O-N 3.02Å; T70-Q74 WeakPolarHBondContact O-CG 3.28Å; T70-Q74 PolarHBondContact O-N 3.45Å
71	M	92.5	Very high	91.4	Very high	93 Å²	93	50.3 Å²	50.3	46%	0.458	24%	0.243	S	C	.	.	H	α-helix	trans	-64.6	-42.4	178.6	-155.2	-174.8	-52.6	0	0	111.6	I34 E67 F68 Q74 L75	I34-M71 HydrophobicContact CD1-CB 4.3Å; I34-M71 HydrophobicContact CD1-CG 4.18Å; I34-M71 HydrophobicContact CD1-SD 4.38Å; I34-M71 HydrophobicContact CG1-SD 4.34Å; E67-M71 WeakPolarHBondContact O-CB 3.5Å; E67-M71 PolarHBondContact O-N 3.11Å; F68-M71 PolarHBondContact O-N 2.61Å; M71-Q74 PolarHBondContact O-N 3.2Å; M71-L75 WeakPolarHBondContact O-CB 3.44Å; M71-L75 PolarHBondContact O-N 2.96Å
72	D	91.5	Very high	91.9	Very high	20 Å²	20	48.8 Å²	48.8	11%	0.107	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-46.1	174.3	-176.3	77.6	0	0	0	111.4	Q31 I34 F68 Q74 L75 N76	Q31-D72 WeakPolarHBondContact CG-OD1 3.32Å; Q31-D72 PolarHBondContact NE2-OD1 3.03Å; I34-D72 HydrophobicContact CD1-CB 4.45Å; I34-D72 HydrophobicContact CG2-CB 4.02Å; F68-D72 PolarHBondContact O-N 2.72Å; D72-Q74 PolarHBondContact O-N 3.44Å; D72-L75 PolarHBondContact O-N 3.38Å; D72-N76 WeakPolarHBondContact O-CB 3.28Å; D72-N76 PolarHBondContact O-N 3.36Å; D72-N76 PolarHBondContact O-ND2 3.02Å; D72-N76 VanDerWaalsContact O-ND2 3.08Å; D72-N76 PolarHBondContact OD2-ND2 3.15Å
73	R	90.9	Very high	92.5	Very high	43 Å²	43	49.6 Å²	49.6	16%	0.162	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-47	175.7	-178.8	174.6	64	-177	-4.4	111.8	A69 T70 N76 H77 N115 S116 D119	A69-R73 PolarHBondContact O-N 2.99Å; T70-R73 PolarHBondContact O-N 3.02Å; R73-N76 PolarHBondContact O-N 3.47Å; R73-H77 WeakPolarHBondContact O-CB 3.24Å; R73-H77 PolarHBondContact O-N 3.28Å; R73-N115 PolarHBondContact NE-ND2 2.98Å; R73-S116 PolarHBondContact NH1-O 3.39Å; R73-D119 IonicContact NH1-OD2 3.35Å; R73-D119 PolarHBondContact NH1-OD2 3.07Å
74	Q	91.5	Very high	92.9	Very high	87 Å²	87	46.8 Å²	46.8	41%	0.407	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-44.7	178.6	-75.3	178.2	-13.4	0	0	111.8	T70 M71 D72 N76 H77 Y78 F108	T70-Q74 WeakPolarHBondContact O-CG 3.28Å; T70-Q74 PolarHBondContact O-N 3.45Å; M71-Q74 PolarHBondContact O-N 3.2Å; D72-Q74 PolarHBondContact O-N 3.44Å; Q74-N76 VanDerWaalsContact C-N 3.35Å; Q74-N76 PolarHBondContact O-N 3.39Å; Q74-H77 PolarHBondContact O-N 3.27Å; Q74-Y78 WeakPolarHBondContact O-CB 3.33Å; Q74-Y78 PolarHBondContact O-N 3.17Å; Q74-F108 WeakPolarHBondContact O-CE2 3.37Å
75	L	93.1	Very high	93.1	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.115	22%	0.224	C	C	.	.	H	α-helix	trans	-56.6	-50.1	175.4	-174.3	68.6	0	0	0	110.8	L27 Q31 I34 M71 D72 H77 Y78 V79	L27-L75 HydrophobicContact CD1-CD1 3.54Å; L27-L75 HydrophobicContact CD2-CD1 4.1Å; L27-L75 HydrophobicContact CG-CD1 3.54Å; Q31-L75 HydrophobicContact CB-CD2 4.05Å; Q31-L75 HydrophobicContact CG-CD2 4.49Å; I34-L75 HydrophobicContact CD1-CD2 3.96Å; M71-L75 WeakPolarHBondContact O-CB 3.44Å; M71-L75 PolarHBondContact O-N 2.96Å; D72-L75 PolarHBondContact O-N 3.38Å; L75-H77 PolarHBondContact O-N 3.38Å; L75-Y78 PolarHBondContact O-N 3.31Å; L75-V79 WeakPolarHBondContact O-CB 3.46Å; L75-V79 VanDerWaalsContact O-CG2 3.29Å; L75-V79 WeakPolarHBondContact O-CG2 3.5Å; L75-V79 PolarHBondContact O-N 3.17Å
76	N	91.5	Very high	93.2	Very high	43 Å²	43	45.9 Å²	45.9	23%	0.23	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-40.3	179.2	-80.1	-47.4	0	0	0	112.8	D72 R73 Q74 K80	D72-N76 WeakPolarHBondContact O-CB 3.28Å; D72-N76 PolarHBondContact O-N 3.36Å; D72-N76 PolarHBondContact O-ND2 3.02Å; D72-N76 VanDerWaalsContact O-ND2 3.08Å; D72-N76 PolarHBondContact OD2-ND2 3.15Å; R73-N76 PolarHBondContact O-N 3.47Å; Q74-N76 VanDerWaalsContact C-N 3.35Å; Q74-N76 PolarHBondContact O-N 3.39Å; N76-K80 WeakPolarHBondContact O-CB 3.32Å; N76-K80 VanDerWaalsContact O-CG 3.28Å; N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 3.44Å
77	H	93.6	Very high	93.3	Very high	27 Å²	27	46.5 Å²	46.5	13%	0.125	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-42	175.6	-75.6	-178.5	0	0	0	112.4	R73 Q74 L75 K80 A81 F108 L111 N115	R73-H77 WeakPolarHBondContact O-CB 3.24Å; R73-H77 PolarHBondContact O-N 3.28Å; Q74-H77 PolarHBondContact O-N 3.27Å; L75-H77 PolarHBondContact O-N 3.38Å; H77-K80 PolarHBondContact O-N 3.48Å; H77-A81 WeakPolarHBondContact O-CB 3.39Å; H77-A81 PolarHBondContact O-N 3.06Å; H77-F108 HydrophobicContact CB-CD2 3.8Å; H77-F108 HydrophobicContact CB-CE2 3.62Å; H77-L111 HydrophobicContact CB-CB 4.16Å; H77-L111 HydrophobicContact CB-CD1 4.16Å; H77-L111 WeakPolarHBondContact O-CD1 3.29Å; H77-N115 PolarHBondContact CE1-OD1 2.97Å; H77-N115 PolarHBondContact ND1-OD1 3.49Å
78	Y	95.3	Very high	93.3	Very high	103 Å²	103	44.3 Å²	44.3	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-63.7	-45.7	177.7	-176	-100.5	0	0	0	110.6	L27 Q74 L75 K80 A81 V82 V104 F108	L27-Y78 HydrophobicContact CD2-CD1 3.58Å; L27-Y78 HydrophobicContact CD2-CE1 3.78Å; Q74-Y78 WeakPolarHBondContact O-CB 3.33Å; Q74-Y78 PolarHBondContact O-N 3.17Å; L75-Y78 PolarHBondContact O-N 3.31Å; Y78-K80 PolarHBondContact O-N 3.26Å; Y78-A81 PolarHBondContact O-N 3.38Å; Y78-V82 HydrophobicContact CD1-CG2 4.23Å; Y78-V82 HydrophobicContact CE1-CG2 3.85Å; Y78-V82 HydrophobicContact CE2-CG2 4.33Å; Y78-V82 WeakPolarHBondContact O-CG2 3.41Å; Y78-V82 PolarHBondContact O-N 3.21Å; Y78-V104 HydrophobicContact CE2-CG1 4.05Å; Y78-F108 HydrophobicContact CD2-CD2 4.47Å; Y78-F108 VanDerWaalsContact N-CE2 3.34Å
79	V	94.7	Very high	93.2	Very high	12 Å²	12	41.9 Å²	41.9	7%	0.073	21%	0.206	C	C	.	.	H	α-helix	trans	-56.2	-48.1	175	165.8	0	0	0	0	111.7	L24 K28 L75 Q83	L24-V79 HydrophobicContact CD1-CB 4.28Å; L24-V79 HydrophobicContact CD1-CG1 4.44Å; L24-V79 HydrophobicContact CD1-CG2 3.93Å; L24-V79 HydrophobicContact CD2-CG1 4.26Å; L24-V79 HydrophobicContact CG-CG1 4.28Å; L24-V79 HydrophobicContact CG-CG2 4.34Å; K28-V79 HydrophobicContact CD-CG1 4.31Å; K28-V79 HydrophobicContact CG-CG1 4.18Å; K28-V79 HydrophobicContact CG-CG2 3.98Å; L75-V79 WeakPolarHBondContact O-CB 3.46Å; L75-V79 VanDerWaalsContact O-CG2 3.29Å; L75-V79 WeakPolarHBondContact O-CG2 3.5Å; L75-V79 PolarHBondContact O-N 3.17Å; V79-Q83 WeakPolarHBondContact O-CB 3.41Å; V79-Q83 PolarHBondContact O-N 3.15Å
80	K	94.9	Very high	93	Very high	125 Å²	125	46.3 Å²	46.3	54%	0.543	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-41.2	177.5	-75.2	174.2	-177.1	176.6	0	112.2	N76 H77 Y78 Q83 S84 L111	N76-K80 WeakPolarHBondContact O-CB 3.32Å; N76-K80 VanDerWaalsContact O-CG 3.28Å; N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 3.44Å; H77-K80 PolarHBondContact O-N 3.48Å; Y78-K80 PolarHBondContact O-N 3.26Å; K80-Q83 PolarHBondContact O-N 3.4Å; K80-S84 VanDerWaalsContact O-CB 3.23Å; K80-S84 WeakPolarHBondContact O-CB 3.36Å; K80-S84 PolarHBondContact O-N 3.15Å; K80-L111 HydrophobicContact CB-CD1 4.01Å
81	A	96.9	Very high	92.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-64.5	-44.1	179.6	0	0	0	0	0	112	H77 Y78 T85 V104 K107 F108 L111	H77-A81 WeakPolarHBondContact O-CB 3.39Å; H77-A81 PolarHBondContact O-N 3.06Å; Y78-A81 PolarHBondContact O-N 3.38Å; A81-T85 WeakPolarHBondContact O-CB 3.41Å; A81-T85 PolarHBondContact O-N 3.23Å; A81-T85 PolarHBondContact O-OG1 3.3Å; A81-V104 HydrophobicContact CB-CG1 4.27Å; A81-K107 HydrophobicContact CB-CB 3.98Å; A81-F108 HydrophobicContact CB-CB 3.87Å; A81-L111 HydrophobicContact CB-CD1 4.41Å
82	V	95.9	Very high	92.7	Very high	10 Å²	10	53.5 Å²	53.5	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-50.7	175	174.8	0	0	0	0	110.5	V20 L24 Y78 S84 T85 I86 V104	V20-V82 HydrophobicContact CG1-CG1 3.7Å; L24-V82 HydrophobicContact CD1-CB 3.95Å; L24-V82 HydrophobicContact CD1-CG1 3.99Å; L24-V82 HydrophobicContact CD1-CG2 4.31Å; L24-V82 HydrophobicContact CD2-CB 4.44Å; L24-V82 HydrophobicContact CD2-CG1 4.18Å; Y78-V82 HydrophobicContact CD1-CG2 4.23Å; Y78-V82 HydrophobicContact CE1-CG2 3.85Å; Y78-V82 HydrophobicContact CE2-CG2 4.33Å; Y78-V82 WeakPolarHBondContact O-CG2 3.41Å; Y78-V82 PolarHBondContact O-N 3.21Å; V82-S84 PolarHBondContact O-N 3.39Å; V82-T85 WeakPolarHBondContact O-CB 3.35Å; V82-T85 PolarHBondContact O-N 3.21Å; V82-T85 VanDerWaalsContact O-N 3.11Å; V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 WeakPolarHBondContact O-CG1 3.23Å; V82-I86 PolarHBondContact O-N 3.24Å; V82-V104 HydrophobicContact CG2-CG1 3.77Å; V82-V104 HydrophobicContact CG2-CG2 4.19Å
83	Q	95.3	Very high	92.3	Very high	61 Å²	61	61.2 Å²	61.2	29%	0.285	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-43.4	-179.6	-167	67.6	50.1	0	0	112.2	L24 V79 K80 T85 I86 N87	L24-Q83 HydrophobicContact CD2-CB 4.49Å; V79-Q83 WeakPolarHBondContact O-CB 3.41Å; V79-Q83 PolarHBondContact O-N 3.15Å; K80-Q83 PolarHBondContact O-N 3.4Å; Q83-T85 VanDerWaalsContact C-N 3.29Å; Q83-T85 PolarHBondContact O-N 3.44Å; Q83-I86 PolarHBondContact O-N 3.26Å; Q83-N87 PolarHBondContact NE2-OD1 2.86Å; Q83-N87 WeakPolarHBondContact O-CB 3.3Å; Q83-N87 PolarHBondContact O-N 3.03Å; Q83-N87 PolarHBondContact O-OD1 3.41Å
84	S	95.5	Very high	91.8	Very high	56 Å²	56	61.4 Å²	61.4	39%	0.392	29%	0.288	S	S	.	.	H	α-helix	trans	-63	-36.2	176.3	-179.8	0	0	0	0	111.9	K80 V82 H88 K107	K80-S84 VanDerWaalsContact O-CB 3.23Å; K80-S84 WeakPolarHBondContact O-CB 3.36Å; K80-S84 PolarHBondContact O-N 3.15Å; V82-S84 PolarHBondContact O-N 3.39Å; S84-H88 VanDerWaalsContact O-CB 3.25Å; S84-H88 WeakPolarHBondContact O-CB 3.45Å; S84-H88 PolarHBondContact O-N 3.31Å; S84-K107 PolarHBondContact O-NZ 3.44Å; S84-K107 PolarHBondContact OG-NZ 3.12Å
85	T	94.8	Very high	91.3	Very high	4 Å²	4	67 Å²	67	3%	0.025	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-46.7	175.9	-57.1	0	0	0	0	111.1	A81 V82 Q83 N87 H88 V89 L100 L103 V104	A81-T85 WeakPolarHBondContact O-CB 3.41Å; A81-T85 PolarHBondContact O-N 3.23Å; A81-T85 PolarHBondContact O-OG1 3.3Å; V82-T85 WeakPolarHBondContact O-CB 3.35Å; V82-T85 PolarHBondContact O-N 3.21Å; V82-T85 VanDerWaalsContact O-N 3.11Å; Q83-T85 VanDerWaalsContact C-N 3.29Å; Q83-T85 PolarHBondContact O-N 3.44Å; T85-N87 VanDerWaalsContact C-N 3.34Å; T85-N87 PolarHBondContact O-N 3.44Å; T85-H88 PolarHBondContact O-N 3.35Å; T85-V89 WeakPolarHBondContact O-CG2 3.25Å; T85-V89 PolarHBondContact O-N 3.19Å; T85-L100 HydrophobicContact CG2-CD2 4.21Å; T85-L103 HydrophobicContact CG2-CB 3.81Å; T85-L103 HydrophobicContact CG2-CD1 4.27Å; T85-V104 HydrophobicContact CG2-CG2 3.99Å; T85-V104 WeakPolarHBondContact OG1-CG2 3.48Å
86	I	92.7	Very high	90.9	Very high	4 Å²	4	74.4 Å²	74.4	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-56.4	-49.8	176.2	-68	170.5	0	0	0	110.6	F17 V20 E21 V82 Q83 H88 V89 K90	F17-I86 HydrophobicContact CB-CD1 4.35Å; F17-I86 HydrophobicContact CB-CG1 4.43Å; F17-I86 HydrophobicContact CB-CG2 4.02Å; F17-I86 HydrophobicContact CD1-CB 4.46Å; F17-I86 HydrophobicContact CD1-CD1 4.37Å; F17-I86 HydrophobicContact CD1-CG1 3.75Å; F17-I86 HydrophobicContact CD1-CG2 4.25Å; F17-I86 HydrophobicContact CD2-CG2 3.9Å; F17-I86 HydrophobicContact CE1-CG1 4.18Å; F17-I86 HydrophobicContact CE2-CG2 4.4Å; F17-I86 HydrophobicContact CG-CB 4.49Å; F17-I86 HydrophobicContact CG-CG1 4.12Å; F17-I86 HydrophobicContact CG-CG2 3.79Å; V20-I86 HydrophobicContact CB-CD1 4.38Å; V20-I86 HydrophobicContact CG1-CD1 3.89Å; E21-I86 HydrophobicContact CG-CD1 4.21Å; V82-I86 HydrophobicContact CG1-CD1 3.87Å; V82-I86 HydrophobicContact CG1-CG1 4.45Å; V82-I86 WeakPolarHBondContact O-CG1 3.23Å; V82-I86 PolarHBondContact O-N 3.24Å; Q83-I86 PolarHBondContact O-N 3.26Å; I86-H88 PolarHBondContact O-N 3.05Å; I86-V89 PolarHBondContact O-N 2.83Å; I86-K90 HydrophobicContact CG2-CD 3.91Å; I86-K90 VanDerWaalsContact CG2-CE 3.43Å; I86-K90 HydrophobicContact CG2-CG 4.42Å; I86-K90 WeakPolarHBondContact O-CB 3.36Å; I86-K90 WeakPolarHBondContact O-CG 3.43Å; I86-K90 PolarHBondContact O-N 3Å
87	N	92.1	Very high	90.4	Very high	66 Å²	66	78.1 Å²	78.1	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-61.6	-45.7	-179	-67	-2.5	0	0	0	111.3	Q83 T85 V89 K90 E91	Q83-N87 PolarHBondContact NE2-OD1 2.86Å; Q83-N87 WeakPolarHBondContact O-CB 3.3Å; Q83-N87 PolarHBondContact O-N 3.03Å; Q83-N87 PolarHBondContact O-OD1 3.41Å; T85-N87 VanDerWaalsContact C-N 3.34Å; T85-N87 PolarHBondContact O-N 3.44Å; N87-V89 PolarHBondContact O-N 2.7Å; N87-K90 PolarHBondContact O-N 3.28Å; N87-E91 WeakPolarHBondContact O-CB 3.3Å; N87-E91 WeakPolarHBondContact O-CG 3.43Å; N87-E91 PolarHBondContact O-N 2.94Å
88	H	90.7	Very high	90.1	Very high	59 Å²	59	78.9 Å²	78.9	27%	0.273	37%	0.372	S	S	.	.	H	α-helix	trans	-59.4	-43.8	177.9	177.1	67.9	0	0	0	112.8	S84 T85 I86 E91 E92	S84-H88 VanDerWaalsContact O-CB 3.25Å; S84-H88 WeakPolarHBondContact O-CB 3.45Å; S84-H88 PolarHBondContact O-N 3.31Å; T85-H88 PolarHBondContact O-N 3.35Å; I86-H88 PolarHBondContact O-N 3.05Å; H88-E91 PolarHBondContact O-N 3.08Å; H88-E92 IonicContact CE1-OE1 2.72Å; H88-E92 PolarHBondContact CE1-OE1 3.46Å; H88-E92 IonicContact CE1-OE2 2.7Å; H88-E92 PolarHBondContact CE1-OE2 3.37Å; H88-E92 IonicContact ND1-OE1 3.51Å; H88-E92 IonicContact NE2-OE2 3.24Å; H88-E92 PolarHBondContact O-N 3.3Å
89	V	90.6	Very high	89.9	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.03	38%	0.378	C	S	.	.	H	α-helix	trans	-69	-36.9	177.3	178.6	0	0	0	0	112.1	I15 F17 T85 I86 N87 E91 R93 P94 P98 L100	I15-V89 HydrophobicContact CD1-CG1 3.72Å; F17-V89 HydrophobicContact CE2-CG1 4.38Å; F17-V89 HydrophobicContact CZ-CB 4.02Å; F17-V89 HydrophobicContact CZ-CG1 3.87Å; T85-V89 WeakPolarHBondContact O-CG2 3.25Å; T85-V89 PolarHBondContact O-N 3.19Å; I86-V89 PolarHBondContact O-N 2.83Å; N87-V89 PolarHBondContact O-N 2.7Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 3.06Å; V89-R93 PolarHBondContact O-N 3.18Å; V89-R93 VanDerWaalsContact O-N 3.15Å; V89-P94 HydrophobicContact CG1-CG 4.28Å; V89-P98 HydrophobicContact CG2-CG 4.13Å; V89-L100 HydrophobicContact CG2-CD2 3.68Å
90	K	88.9	Confident	89.7	Confident	96 Å²	96	80.7 Å²	80.7	42%	0.417	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-37.1	175	-75.3	177.5	-179.2	174.4	0	112	F17 E21 I86 N87 R93	F17-K90 HydrophobicContact CD2-CG 4.17Å; F17-K90 HydrophobicContact CE2-CG 4.02Å; E21-K90 IonicContact OE1-NZ 2.92Å; E21-K90 PolarHBondContact OE1-NZ 2.92Å; I86-K90 HydrophobicContact CG2-CD 3.91Å; I86-K90 VanDerWaalsContact CG2-CE 3.43Å; I86-K90 HydrophobicContact CG2-CG 4.42Å; I86-K90 WeakPolarHBondContact O-CB 3.36Å; I86-K90 WeakPolarHBondContact O-CG 3.43Å; I86-K90 PolarHBondContact O-N 3Å; N87-K90 PolarHBondContact O-N 3.28Å; K90-R93 WeakPolarHBondContact O-CG 3.27Å
91	E	88.6	Confident	89.7	Confident	150 Å²	150	81.7 Å²	81.7	70%	0.701	39%	0.392	S	S	*	.	H	α-helix	trans	-77.1	-51.4	-179.4	-74.1	168.7	-168.3	0	0	112.6	N87 H88 V89 R93	N87-E91 WeakPolarHBondContact O-CB 3.3Å; N87-E91 WeakPolarHBondContact O-CG 3.43Å; N87-E91 PolarHBondContact O-N 2.94Å; H88-E91 PolarHBondContact O-N 3.08Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 3.06Å; E91-R93 VanDerWaalsContact C-N 3.32Å; E91-R93 PolarHBondContact O-N 3.39Å
92	E	87.2	Confident	89.6	Confident	130 Å²	130	86.6 Å²	86.6	61%	0.607	42%	0.418	S	S	*	.	H	α-helix	trans	-74.9	-21.2	-175.8	-68.4	-155.4	160.3	0	0	113.7	H88	H88-E92 IonicContact CE1-OE1 2.72Å; H88-E92 PolarHBondContact CE1-OE1 3.46Å; H88-E92 IonicContact CE1-OE2 2.7Å; H88-E92 PolarHBondContact CE1-OE2 3.37Å; H88-E92 IonicContact ND1-OE1 3.51Å; H88-E92 IonicContact NE2-OE2 3.24Å; H88-E92 PolarHBondContact O-N 3.3Å
93	R	83.4	Confident	89.5	Confident	181 Å²	181	88.1 Å²	88.1	68%	0.683	43%	0.426	S	S	*	.			trans	42.3	58.4	-178.5	-61.9	-172.9	176.9	-178.9	-0.2	112.6	V89 K90 E91	V89-R93 PolarHBondContact O-N 3.18Å; V89-R93 VanDerWaalsContact O-N 3.15Å; K90-R93 WeakPolarHBondContact O-CG 3.27Å; E91-R93 VanDerWaalsContact C-N 3.32Å; E91-R93 PolarHBondContact O-N 3.39Å
94	P	81.3	Confident	89.5	Confident	47 Å²	47	86.2 Å²	86.2	31%	0.305	42%	0.418	S	S	.	.			trans	-64.5	141.7	-172.3	28.3	-35.8	0	0	0	111.5	V89 K96 P98	V89-P94 HydrophobicContact CG1-CG 4.28Å; P94-K96 WeakPolarHBondContact CB-O 3.5Å; P94-K96 PolarHBondContact O-N 2.65Å; P94-P98 HydrophobicContact CG-CG 4.34Å
95	E	81.2	Confident	89.6	Confident	204 Å²	204	87.8 Å²	87.8	95%	0.953	42%	0.419	S	S	*	.	S	Bend	trans	-62.7	-27.3	178.3	-65.6	-177.2	172.9	0	0	112.8
96	K	83.4	Confident	89.6	Confident	179 Å²	179	94.8 Å²	94.8	78%	0.778	45%	0.449	S	S	*	.	S	Bend	trans	-120.7	136.3	174.2	-66.9	-179	-177.1	176.5	0	109.4	P94 P98	P94-K96 WeakPolarHBondContact CB-O 3.5Å; P94-K96 PolarHBondContact O-N 2.65Å; K96-P98 VanDerWaalsContact O-CD 3.29Å; K96-P98 WeakPolarHBondContact O-CD 3.28Å
97	I	81.8	Confident	89.8	Confident	121 Å²	121	97 Å²	97	62%	0.621	46%	0.459	S	S	*	.			trans	-63.8	118.1	177.4	-52.1	-174.1	0	0	0	108.3	I15	I15-I97 HydrophobicContact CD1-CD1 4.32Å; I15-I97 HydrophobicContact CD1-CG1 4.03Å; I15-I97 HydrophobicContact CD1-CG2 4.2Å; I15-I97 HydrophobicContact CG1-CD1 4.23Å; I15-I97 HydrophobicContact CG1-CG1 4.41Å
98	P	85.9	Confident	90	Very high	43 Å²	43	95.8 Å²	95.8	28%	0.279	45%	0.45	S	S	.	.			trans	-72.9	164.7	177.1	31	-34.3	0	0	0	110.5	V89 P94 K96 L100 L103	V89-P98 HydrophobicContact CG2-CG 4.13Å; P94-P98 HydrophobicContact CG-CG 4.34Å; K96-P98 VanDerWaalsContact O-CD 3.29Å; K96-P98 WeakPolarHBondContact O-CD 3.28Å; P98-L100 HydrophobicContact CG-CD2 4.26Å; P98-L100 PolarHBondContact O-N 3.25Å; P98-L103 HydrophobicContact CB-CD1 3.87Å; P98-L103 HydrophobicContact CG-CD1 3.84Å
99	D	91.6	Very high	90.2	Very high	99 Å²	99	97.3 Å²	97.3	53%	0.529	46%	0.46	S	S	.	.			trans	-67.8	94.5	171.7	-172.7	-20.4	0	0	0	110	K101 L102 L103	D99-K101 VanDerWaalsContact C-N 3.25Å; D99-K101 PolarHBondContact O-N 3.08Å; D99-K101 WeakPolarHBondContact OD1-CB 3.47Å; D99-K101 PolarHBondContact OD1-N 2.95Å; D99-L102 HydrophobicContact CB-CB 3.91Å; D99-L102 VanDerWaalsContact CG-CB 3.5Å; D99-L102 PolarHBondContact O-N 3.25Å; D99-L102 PolarHBondContact OD1-N 3.38Å; D99-L103 WeakPolarHBondContact O-CG 3.26Å; D99-L103 PolarHBondContact O-N 3.31Å
100	L	91.2	Very high	90.3	Very high	54 Å²	54	99.4 Å²	99.4	28%	0.283	48%	0.477	S	S	.	.	H	α-helix	trans	-62.1	-34.8	-178	-62.9	178	0	0	0	111.9	F17 T85 V89 P98 L103 V104	F17-L100 HydrophobicContact CE1-CD1 4.19Å; T85-L100 HydrophobicContact CG2-CD2 4.21Å; V89-L100 HydrophobicContact CG2-CD2 3.68Å; P98-L100 HydrophobicContact CG-CD2 4.26Å; P98-L100 PolarHBondContact O-N 3.25Å; L100-L103 PolarHBondContact O-N 3.32Å; L100-V104 VanDerWaalsContact O-CG2 3.31Å; L100-V104 WeakPolarHBondContact O-CG2 3.49Å; L100-V104 PolarHBondContact O-N 3.42Å
101	K	93.9	Very high	90.5	Very high	145 Å²	145	97.1 Å²	97.1	63%	0.63	47%	0.47	S	S	*	.	H	α-helix	trans	-65.8	-49.9	179.4	179.4	-179.1	171.5	-176.9	0	109.6	D99 L103 V104 E105	D99-K101 VanDerWaalsContact C-N 3.25Å; D99-K101 PolarHBondContact O-N 3.08Å; D99-K101 WeakPolarHBondContact OD1-CB 3.47Å; D99-K101 PolarHBondContact OD1-N 2.95Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 3.04Å; K101-V104 PolarHBondContact O-N 2.94Å; K101-E105 WeakPolarHBondContact CE-OE1 3.15Å; K101-E105 IonicContact NZ-OE1 3.19Å; K101-E105 WeakPolarHBondContact O-CG 3.41Å; K101-E105 PolarHBondContact O-N 3.32Å
102	L	95.1	Very high	90.5	Very high	104 Å²	104	92.4 Å²	92.4	55%	0.545	45%	0.448	S	S	.	.	H	α-helix	trans	-60.9	-39.8	178.2	-174.6	66.5	0	0	0	112	D99 E105 K106	D99-L102 HydrophobicContact CB-CB 3.91Å; D99-L102 VanDerWaalsContact CG-CB 3.5Å; D99-L102 PolarHBondContact O-N 3.25Å; D99-L102 PolarHBondContact OD1-N 3.38Å; L102-E105 PolarHBondContact O-N 2.86Å; L102-K106 VanDerWaalsContact O-CB 3.31Å; L102-K106 WeakPolarHBondContact O-CB 3.41Å; L102-K106 PolarHBondContact O-N 3.09Å
103	L	94.3	Very high	90.6	Very high	43 Å²	43	92.8 Å²	92.8	23%	0.225	45%	0.454	C	S	.	.	H	α-helix	trans	-63.9	-43.9	176.6	-74	176.6	0	0	0	112.4	T85 P98 D99 L100 K101 K107	T85-L103 HydrophobicContact CG2-CB 3.81Å; T85-L103 HydrophobicContact CG2-CD1 4.27Å; P98-L103 HydrophobicContact CB-CD1 3.87Å; P98-L103 HydrophobicContact CG-CD1 3.84Å; D99-L103 WeakPolarHBondContact O-CG 3.26Å; D99-L103 PolarHBondContact O-N 3.31Å; L100-L103 PolarHBondContact O-N 3.32Å; K101-L103 VanDerWaalsContact C-N 3.3Å; K101-L103 PolarHBondContact O-N 3.04Å; L103-K107 WeakPolarHBondContact O-CG 3.43Å; L103-K107 PolarHBondContact O-N 2.97Å
104	V	96.3	Very high	90.8	Very high	20 Å²	20	92 Å²	92	12%	0.121	46%	0.455	C	S	.	.	H	α-helix	trans	-63.3	-48.3	175.9	170.9	0	0	0	0	110.5	Y78 A81 V82 T85 L100 K101 K106 K107 F108	Y78-V104 HydrophobicContact CE2-CG1 4.05Å; A81-V104 HydrophobicContact CB-CG1 4.27Å; V82-V104 HydrophobicContact CG2-CG1 3.77Å; V82-V104 HydrophobicContact CG2-CG2 4.19Å; T85-V104 HydrophobicContact CG2-CG2 3.99Å; T85-V104 WeakPolarHBondContact OG1-CG2 3.48Å; L100-V104 VanDerWaalsContact O-CG2 3.31Å; L100-V104 WeakPolarHBondContact O-CG2 3.49Å; L100-V104 PolarHBondContact O-N 3.42Å; K101-V104 PolarHBondContact O-N 2.94Å; V104-K106 VanDerWaalsContact C-N 3.35Å; V104-K106 PolarHBondContact O-N 3.15Å; V104-K107 PolarHBondContact O-N 2.73Å; V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.32Å; V104-F108 PolarHBondContact O-N 3.46Å
105	E	95.9	Very high	91.1	Very high	89 Å²	89	92.1 Å²	92.1	42%	0.416	45%	0.454	S	S	.	.	H	α-helix	trans	-58.4	-45.7	178.6	-74.9	174.6	179.5	0	0	111.5	K101 L102 K107 F108 L109	K101-E105 WeakPolarHBondContact CE-OE1 3.15Å; K101-E105 IonicContact NZ-OE1 3.19Å; K101-E105 WeakPolarHBondContact O-CG 3.41Å; K101-E105 PolarHBondContact O-N 3.32Å; L102-E105 PolarHBondContact O-N 2.86Å; E105-K107 PolarHBondContact O-N 3.26Å; E105-F108 PolarHBondContact O-N 3.46Å; E105-L109 WeakPolarHBondContact O-CB 3.39Å; E105-L109 WeakPolarHBondContact O-CG 3.49Å; E105-L109 PolarHBondContact O-N 3.35Å
106	K	96.4	Very high	91.1	Very high	151 Å²	151	84.9 Å²	84.9	66%	0.657	43%	0.425	S	S	*	.	H	α-helix	trans	-60.5	-46.2	177	-175.1	179.6	179.9	180	0	112	L102 V104 A110	L102-K106 VanDerWaalsContact O-CB 3.31Å; L102-K106 WeakPolarHBondContact O-CB 3.41Å; L102-K106 PolarHBondContact O-N 3.09Å; V104-K106 VanDerWaalsContact C-N 3.35Å; V104-K106 PolarHBondContact O-N 3.15Å; K106-A110 WeakPolarHBondContact O-CB 3.15Å; K106-A110 PolarHBondContact O-N 2.86Å
107	K	96.5	Very high	90.6	Very high	51 Å²	51	82.5 Å²	82.5	22%	0.222	42%	0.421	C	S	.	.	H	α-helix	trans	-67	-37.7	178.3	-72.8	-173.5	-176.9	-171.8	0	111.8	A81 S84 L103 V104 E105 A110 L111	A81-K107 HydrophobicContact CB-CB 3.98Å; S84-K107 PolarHBondContact O-NZ 3.44Å; S84-K107 PolarHBondContact OG-NZ 3.12Å; L103-K107 WeakPolarHBondContact O-CG 3.43Å; L103-K107 PolarHBondContact O-N 2.97Å; V104-K107 PolarHBondContact O-N 2.73Å; E105-K107 PolarHBondContact O-N 3.26Å; K107-A110 PolarHBondContact O-N 2.96Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.46Å; K107-L111 VanDerWaalsContact O-N 3.1Å
108	F	95.5	Very high	90.1	Very high	41 Å²	41	79.9 Å²	79.9	18%	0.18	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-48.7	177.3	-179.1	-118.3	0	0	0	111.9	Q74 H77 Y78 A81 V104 E105 A110 L111 Q112	Q74-F108 WeakPolarHBondContact O-CE2 3.37Å; H77-F108 HydrophobicContact CB-CD2 3.8Å; H77-F108 HydrophobicContact CB-CE2 3.62Å; Y78-F108 HydrophobicContact CD2-CD2 4.47Å; Y78-F108 VanDerWaalsContact N-CE2 3.34Å; A81-F108 HydrophobicContact CB-CB 3.87Å; V104-F108 VanDerWaalsContact O-CB 3.25Å; V104-F108 WeakPolarHBondContact O-CB 3.32Å; V104-F108 PolarHBondContact O-N 3.46Å; E105-F108 PolarHBondContact O-N 3.46Å; F108-A110 VanDerWaalsContact C-N 3.31Å; F108-A110 PolarHBondContact O-N 3.43Å; F108-L111 WeakPolarHBondContact O-CB 3.44Å; F108-L111 PolarHBondContact O-N 3.31Å; F108-L111 VanDerWaalsContact O-N 3.11Å; F108-Q112 HydrophobicContact CE1-CG 4.39Å; F108-Q112 HydrophobicContact CE2-CG 4.45Å; F108-Q112 HydrophobicContact CZ-CG 4.32Å; F108-Q112 PolarHBondContact O-N 3.23Å
109	L	94.6	Very high	89.6	Confident	91 Å²	91	80 Å²	80	48%	0.476	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-40	175.1	-71	172.1	0	0	0	111.8	E105 L111 Q112 N113	E105-L109 WeakPolarHBondContact O-CB 3.39Å; E105-L109 WeakPolarHBondContact O-CG 3.49Å; E105-L109 PolarHBondContact O-N 3.35Å; L109-L111 VanDerWaalsContact C-N 3.26Å; L109-L111 PolarHBondContact O-N 3.48Å; L109-Q112 PolarHBondContact O-N 3.09Å; L109-Q112 VanDerWaalsContact O-N 3.16Å; L109-N113 WeakPolarHBondContact O-CB 3.46Å; L109-N113 PolarHBondContact O-N 3.04Å; L109-N113 PolarHBondContact O-ND2 2.77Å
110	A	93.8	Very high	88.9	Confident	48 Å²	48	76.7 Å²	76.7	40%	0.397	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-31	175.8	0	0	0	0	0	113.1	K106 K107 F108 K114	K106-A110 WeakPolarHBondContact O-CB 3.15Å; K106-A110 PolarHBondContact O-N 2.86Å; K107-A110 PolarHBondContact O-N 2.96Å; F108-A110 VanDerWaalsContact C-N 3.31Å; F108-A110 PolarHBondContact O-N 3.43Å; A110-K114 WeakPolarHBondContact O-CG 3.24Å
111	L	92.5	Very high	88	Confident	49 Å²	49	80.4 Å²	80.4	26%	0.257	41%	0.413	S	S	.	.	H	α-helix	trans	-73.6	-43.2	171.5	-69.1	168.7	0	0	0	111.1	H77 K80 A81 K107 F108 L109 N113 K114 N115	H77-L111 HydrophobicContact CB-CB 4.16Å; H77-L111 HydrophobicContact CB-CD1 4.16Å; H77-L111 WeakPolarHBondContact O-CD1 3.29Å; K80-L111 HydrophobicContact CB-CD1 4.01Å; A81-L111 HydrophobicContact CB-CD1 4.41Å; K107-L111 WeakPolarHBondContact O-CG 3.48Å; K107-L111 PolarHBondContact O-N 3.46Å; K107-L111 VanDerWaalsContact O-N 3.1Å; F108-L111 WeakPolarHBondContact O-CB 3.44Å; F108-L111 PolarHBondContact O-N 3.31Å; F108-L111 VanDerWaalsContact O-N 3.11Å; L109-L111 VanDerWaalsContact C-N 3.26Å; L109-L111 PolarHBondContact O-N 3.48Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-N113 PolarHBondContact O-N 3.21Å; L111-K114 PolarHBondContact O-N 2.78Å; L111-N115 PolarHBondContact O-OD1 3.02Å
112	Q	88.7	Confident	87.2	Confident	51 Å²	51	80 Å²	80	24%	0.238	42%	0.417	C	S	.	.	H	α-helix	trans	-63.1	-37.6	177.7	-71.2	-169.4	-13.8	0	0	113.4	F108 L109 K114 N115	F108-Q112 HydrophobicContact CE1-CG 4.39Å; F108-Q112 HydrophobicContact CE2-CG 4.45Å; F108-Q112 HydrophobicContact CZ-CG 4.32Å; F108-Q112 PolarHBondContact O-N 3.23Å; L109-Q112 PolarHBondContact O-N 3.09Å; L109-Q112 VanDerWaalsContact O-N 3.16Å; Q112-K114 PolarHBondContact O-N 3.48Å; Q112-K114 VanDerWaalsContact O-N 3.13Å; Q112-N115 WeakPolarHBondContact O-CB 3.5Å; Q112-N115 PolarHBondContact O-N 2.87Å; Q112-N115 PolarHBondContact O-ND2 3.4Å
113	N	89	Confident	86.6	Confident	137 Å²	137	76 Å²	76	73%	0.733	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-13.1	178.5	-70.3	-15.1	0	0	0	113.3	L109 L111	L109-N113 WeakPolarHBondContact O-CB 3.46Å; L109-N113 PolarHBondContact O-N 3.04Å; L109-N113 PolarHBondContact O-ND2 2.77Å; L111-N113 VanDerWaalsContact C-N 3.35Å; L111-N113 PolarHBondContact O-N 3.21Å
114	K	87.8	Confident	86.3	Confident	165 Å²	165	80.7 Å²	80.7	72%	0.717	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.3	174.2	-63.1	177.3	-176.8	-175.8	0	112.6	A110 L111 Q112	A110-K114 WeakPolarHBondContact O-CG 3.24Å; L111-K114 PolarHBondContact O-N 2.78Å; Q112-K114 PolarHBondContact O-N 3.48Å; Q112-K114 VanDerWaalsContact O-N 3.13Å
115	N	86.9	Confident	85.9	Confident	50 Å²	50	82.1 Å²	82.1	27%	0.267	42%	0.422	S	S	.	.			trans	-60.5	139.9	177.3	-73	-6.1	0	0	0	110.2	R73 H77 L111 Q112 D119	R73-N115 PolarHBondContact NE-ND2 2.98Å; H77-N115 PolarHBondContact CE1-OD1 2.97Å; H77-N115 PolarHBondContact ND1-OD1 3.49Å; L111-N115 PolarHBondContact O-OD1 3.02Å; Q112-N115 WeakPolarHBondContact O-CB 3.5Å; Q112-N115 PolarHBondContact O-N 2.87Å; Q112-N115 PolarHBondContact O-ND2 3.4Å; N115-D119 WeakPolarHBondContact CA-OD2 3.39Å
116	S	82	Confident	85.5	Confident	51 Å²	51	78.7 Å²	78.7	36%	0.357	41%	0.405	S	S	.	.			trans	-137.9	162.5	168.6	70.2	0	0	0	0	110.1	R73 A118 D119	R73-S116 PolarHBondContact NH1-O 3.39Å; S116-A118 PolarHBondContact O-N 3.34Å; S116-A118 PolarHBondContact OG-N 3.47Å; S116-D119 PolarHBondContact N-OD2 3.22Å; S116-D119 VanDerWaalsContact O-CB 3.23Å; S116-D119 WeakPolarHBondContact O-CB 3.42Å; S116-D119 VanDerWaalsContact O-CG 3.28Å; S116-D119 PolarHBondContact O-N 3.01Å; S116-D119 VanDerWaalsContact O-OD2 3.11Å
117	D	72.9	Confident	85.1	Confident	130 Å²	130	73.6 Å²	73.6	70%	0.695	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-68	-21.9	173.9	-66.3	-17.1	0	0	0	111.6	D119 F120	D117-D119 PolarHBondContact O-N 2.97Å; D117-D119 VanDerWaalsContact O-N 3.15Å; D117-F120 HydrophobicContact CB-CD2 4.14Å; D117-F120 HydrophobicContact CB-CE2 4.26Å; D117-F120 WeakPolarHBondContact O-CB 3.35Å; D117-F120 WeakPolarHBondContact O-CD2 3.47Å; D117-F120 PolarHBondContact O-N 2.99Å; D117-F120 VanDerWaalsContact O-N 3.09Å
118	A	72.3	Confident	84.8	Confident	65 Å²	65	75.2 Å²	75.2	54%	0.537	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-61	-22	170.7	0	0	0	0	0	112.3	S116 F120 Q121	S116-A118 PolarHBondContact O-N 3.34Å; S116-A118 PolarHBondContact OG-N 3.47Å; A118-F120 PolarHBondContact O-N 3.05Å; A118-Q121 VanDerWaalsContact O-CB 3.28Å; A118-Q121 WeakPolarHBondContact O-CB 3.29Å; A118-Q121 PolarHBondContact O-N 3.16Å; A118-Q121 VanDerWaalsContact O-N 3.08Å
119	D	75	Confident	84.5	Confident	47 Å²	47	73.3 Å²	73.3	25%	0.251	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-66.1	-21.8	176.8	-60.4	-34.4	0	0	0	112.8	R73 N115 S116 D117 Q121 N122	R73-D119 IonicContact NH1-OD2 3.35Å; R73-D119 PolarHBondContact NH1-OD2 3.07Å; N115-D119 WeakPolarHBondContact CA-OD2 3.39Å; S116-D119 PolarHBondContact N-OD2 3.22Å; S116-D119 VanDerWaalsContact O-CB 3.23Å; S116-D119 WeakPolarHBondContact O-CB 3.42Å; S116-D119 VanDerWaalsContact O-CG 3.28Å; S116-D119 PolarHBondContact O-N 3.01Å; S116-D119 VanDerWaalsContact O-OD2 3.11Å; D117-D119 PolarHBondContact O-N 2.97Å; D117-D119 VanDerWaalsContact O-N 3.15Å; D119-Q121 PolarHBondContact O-N 3.4Å; D119-N122 WeakPolarHBondContact O-CB 3.48Å; D119-N122 PolarHBondContact O-N 2.96Å
120	F	77	Confident	84.2	Confident	29 Å²	29	71.5 Å²	71.5	13%	0.127	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-62.5	-25.3	174.3	-67.2	-61.6	0	0	0	111.9	V66 A69 D117 A118 N122 N123 F126	V66-F120 HydrophobicContact CG1-CE1 4.36Å; V66-F120 HydrophobicContact CG1-CZ 4.02Å; A69-F120 HydrophobicContact CB-CD1 3.8Å; A69-F120 HydrophobicContact CB-CE1 3.85Å; D117-F120 HydrophobicContact CB-CD2 4.14Å; D117-F120 HydrophobicContact CB-CE2 4.26Å; D117-F120 WeakPolarHBondContact O-CB 3.35Å; D117-F120 WeakPolarHBondContact O-CD2 3.47Å; D117-F120 PolarHBondContact O-N 2.99Å; D117-F120 VanDerWaalsContact O-N 3.09Å; A118-F120 PolarHBondContact O-N 3.05Å; F120-N122 PolarHBondContact O-N 2.91Å; F120-N123 PolarHBondContact O-N 3.37Å; F120-N123 VanDerWaalsContact O-N 3.16Å; F120-F126 HydrophobicContact CB-CD1 3.86Å; F120-F126 HydrophobicContact CB-CE1 3.85Å; F120-F126 HydrophobicContact CB-CG 4.46Å; F120-F126 HydrophobicContact CB-CZ 4.45Å; F120-F126 HydrophobicContact CG-CE1 4.38Å
121	Q	72.3	Confident	83.9	Confident	132 Å²	132	75.5 Å²	75.5	62%	0.617	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-68.4	-20.2	173.8	-59.1	-66	-14	0	0	112.9	A118 D119 N123 V127	A118-Q121 VanDerWaalsContact O-CB 3.28Å; A118-Q121 WeakPolarHBondContact O-CB 3.29Å; A118-Q121 PolarHBondContact O-N 3.16Å; A118-Q121 VanDerWaalsContact O-N 3.08Å; D119-Q121 PolarHBondContact O-N 3.4Å; Q121-N123 VanDerWaalsContact C-N 3.31Å; Q121-V127 WeakPolarHBondContact O-CG2 3.27Å
122	N	76.4	Confident	83.6	Confident	135 Å²	135	77.6 Å²	77.6	72%	0.722	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-81.5	-12.7	175.4	-60.9	-44.5	0	0	0	112.4	D119 F120 E124	D119-N122 WeakPolarHBondContact O-CB 3.48Å; D119-N122 PolarHBondContact O-N 2.96Å; F120-N122 PolarHBondContact O-N 2.91Å; N122-E124 PolarHBondContact O-N 2.97Å
123	N	83.6	Confident	83.3	Confident	22 Å²	22	75.5 Å²	75.5	12%	0.118	39%	0.385	C	S	.	.			trans	-91	101.4	175.9	-173.6	-45.1	0	0	0	109.5	M38 F120 Q121 K125 F126 V127	M38-N123 WeakPolarHBondContact CE-OD1 3.23Å; F120-N123 PolarHBondContact O-N 3.37Å; F120-N123 VanDerWaalsContact O-N 3.16Å; Q121-N123 VanDerWaalsContact C-N 3.31Å; N123-K125 VanDerWaalsContact C-N 3.27Å; N123-K125 PolarHBondContact O-N 3.49Å; N123-K125 PolarHBondContact OD1-N 3.19Å; N123-K125 VanDerWaalsContact OD1-N 3.15Å; N123-F126 HydrophobicContact CB-CB 3.87Å; N123-F126 WeakPolarHBondContact O-CB 3.35Å; N123-F126 PolarHBondContact O-N 3.08Å; N123-F126 VanDerWaalsContact O-N 3.07Å; N123-F126 PolarHBondContact OD1-N 3.37Å; N123-F126 VanDerWaalsContact OD1-N 3.08Å; N123-V127 WeakPolarHBondContact O-CG2 3.41Å; N123-V127 PolarHBondContact O-N 3.15Å
124	E	87.9	Confident	83.1	Confident	140 Å²	140	76 Å²	76	65%	0.654	38%	0.38	S	S	*	.	H	α-helix	trans	-53.6	-42.3	-176.8	-171.5	-176.4	171.6	0	0	112.7	N122 F126 V127 Q128	N122-E124 PolarHBondContact O-N 2.97Å; E124-F126 PolarHBondContact O-N 3.23Å; E124-V127 PolarHBondContact O-N 3.06Å; E124-Q128 HydrophobicContact CG-CG 4.46Å; E124-Q128 WeakPolarHBondContact O-CB 3.43Å; E124-Q128 VanDerWaalsContact O-CG 3.24Å; E124-Q128 WeakPolarHBondContact O-CG 3.46Å; E124-Q128 PolarHBondContact O-N 2.85Å; E124-Q128 PolarHBondContact OE1-NE2 3.45Å
125	K	87.4	Confident	82.8	Confident	50 Å²	50	72.6 Å²	72.6	22%	0.217	37%	0.367	C	S	.	.	H	α-helix	trans	-66.6	-38.5	179.8	-66.4	-165.6	176.3	-145.8	0	112.4	N35 M38 D39 N123 F129	N35-K125 HydrophobicContact CB-CD 4.42Å; N35-K125 PolarHBondContact O-NZ 3.13Å; M38-K125 HydrophobicContact CB-CD 4.13Å; M38-K125 HydrophobicContact CE-CB 3.84Å; M38-K125 HydrophobicContact SD-CB 4.23Å; M38-K125 HydrophobicContact SD-CD 4.38Å; D39-K125 IonicContact OD1-NZ 3.95Å; D39-K125 PolarHBondContact OD1-NZ 2.82Å; D39-K125 IonicContact OD2-NZ 3.95Å; D39-K125 PolarHBondContact OD2-NZ 2.83Å; N123-K125 VanDerWaalsContact C-N 3.27Å; N123-K125 PolarHBondContact O-N 3.49Å; N123-K125 PolarHBondContact OD1-N 3.19Å; N123-K125 VanDerWaalsContact OD1-N 3.15Å; K125-F129 VanDerWaalsContact O-CB 3.29Å; K125-F129 WeakPolarHBondContact O-CB 3.38Å; K125-F129 PolarHBondContact O-N 3.36Å
126	F	87.6	Confident	82.4	Confident	17 Å²	17	71.8 Å²	71.8	8%	0.075	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-44.9	176.4	-172.7	-87.7	0	0	0	111.4	M38 M65 V66 A69 F120 N123 E124 F129 K130	M38-F126 HydrophobicContact CE-CB 4.14Å; M65-F126 HydrophobicContact CB-CD2 4.47Å; M65-F126 HydrophobicContact CB-CE2 4.4Å; M65-F126 HydrophobicContact CG-CD2 3.54Å; M65-F126 HydrophobicContact CG-CE2 3.87Å; M65-F126 HydrophobicContact CG-CG 4.49Å; V66-F126 HydrophobicContact CG2-CE2 3.76Å; V66-F126 HydrophobicContact CG2-CZ 4.06Å; A69-F126 HydrophobicContact CB-CD2 3.99Å; F120-F126 HydrophobicContact CB-CD1 3.86Å; F120-F126 HydrophobicContact CB-CE1 3.85Å; F120-F126 HydrophobicContact CB-CG 4.46Å; F120-F126 HydrophobicContact CB-CZ 4.45Å; F120-F126 HydrophobicContact CG-CE1 4.38Å; N123-F126 HydrophobicContact CB-CB 3.87Å; N123-F126 WeakPolarHBondContact O-CB 3.35Å; N123-F126 PolarHBondContact O-N 3.08Å; N123-F126 VanDerWaalsContact O-N 3.07Å; N123-F126 PolarHBondContact OD1-N 3.37Å; N123-F126 VanDerWaalsContact OD1-N 3.08Å; E124-F126 PolarHBondContact O-N 3.23Å; F126-F129 WeakPolarHBondContact O-CB 3.24Å; F126-F129 PolarHBondContact O-N 3Å; F126-K130 HydrophobicContact CD1-CG 4.25Å; F126-K130 HydrophobicContact CE1-CG 3.84Å; F126-K130 HydrophobicContact CZ-CG 4.28Å; F126-K130 PolarHBondContact O-N 3.42Å
127	V	87.6	Confident	82.1	Confident	45 Å²	45	71.1 Å²	71.1	27%	0.273	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-47.2	177.6	175.5	0	0	0	0	110.9	Q121 N123 E124 F129 K130 Q131	Q121-V127 WeakPolarHBondContact O-CG2 3.27Å; N123-V127 WeakPolarHBondContact O-CG2 3.41Å; N123-V127 PolarHBondContact O-N 3.15Å; E124-V127 PolarHBondContact O-N 3.06Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 3.39Å; V127-K130 PolarHBondContact O-N 2.99Å; V127-Q131 WeakPolarHBondContact O-CB 3.3Å; V127-Q131 PolarHBondContact O-N 3.39Å
128	Q	89.6	Confident	82.3	Confident	84 Å²	84	72.6 Å²	72.6	39%	0.393	35%	0.353	S	S	.	.	H	α-helix	trans	-58.1	-45.8	176.8	-75	176.2	7.5	0	0	111.4	E124 Q131 Q132	E124-Q128 HydrophobicContact CG-CG 4.46Å; E124-Q128 WeakPolarHBondContact O-CB 3.43Å; E124-Q128 VanDerWaalsContact O-CG 3.24Å; E124-Q128 WeakPolarHBondContact O-CG 3.46Å; E124-Q128 PolarHBondContact O-N 2.85Å; E124-Q128 PolarHBondContact OE1-NE2 3.45Å; Q128-Q131 PolarHBondContact O-N 3.34Å; Q128-Q132 WeakPolarHBondContact O-CB 3.46Å; Q128-Q132 VanDerWaalsContact O-CG 3.26Å; Q128-Q132 WeakPolarHBondContact O-CG 3.32Å; Q128-Q132 PolarHBondContact O-N 3.32Å
129	F	89.6	Confident	82.3	Confident	1 Å²	1	75.5 Å²	75.5	0%	0.004	36%	0.356	C	S	.	.	H	α-helix	trans	-56.6	-52.2	176.1	163.6	-102.6	0	0	0	112.5	A45 M65 K125 F126 V127 Q131 Q132 L133	A45-F129 HydrophobicContact CB-CE2 3.56Å; A45-F129 HydrophobicContact CB-CZ 4.25Å; M65-F129 HydrophobicContact CB-CD1 4.22Å; M65-F129 HydrophobicContact CB-CE1 3.93Å; M65-F129 HydrophobicContact CB-CZ 4.22Å; M65-F129 HydrophobicContact CE-CB 3.94Å; M65-F129 HydrophobicContact CE-CD1 4.23Å; M65-F129 HydrophobicContact CE-CD2 3.68Å; M65-F129 HydrophobicContact CE-CE2 4.11Å; M65-F129 HydrophobicContact CE-CG 3.69Å; M65-F129 HydrophobicContact CG-CD1 3.66Å; M65-F129 HydrophobicContact CG-CE1 3.9Å; M65-F129 HydrophobicContact CG-CG 4.08Å; M65-F129 HydrophobicContact CG-CZ 4.47Å; K125-F129 VanDerWaalsContact O-CB 3.29Å; K125-F129 WeakPolarHBondContact O-CB 3.38Å; K125-F129 PolarHBondContact O-N 3.36Å; F126-F129 WeakPolarHBondContact O-CB 3.24Å; F126-F129 PolarHBondContact O-N 3Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 3.39Å; F129-Q131 VanDerWaalsContact C-N 3.3Å; F129-Q131 PolarHBondContact O-N 2.8Å; F129-Q132 PolarHBondContact O-N 2.93Å; F129-L133 HydrophobicContact CD1-CD1 4.23Å; F129-L133 HydrophobicContact CD2-CD1 3.98Å; F129-L133 HydrophobicContact CD2-CG 4.33Å; F129-L133 HydrophobicContact CE1-CD1 3.62Å; F129-L133 HydrophobicContact CE2-CD1 3.37Å; F129-L133 HydrophobicContact CE2-CG 4.05Å; F129-L133 HydrophobicContact CG-CD1 4.41Å; F129-L133 HydrophobicContact CZ-CD1 3.17Å; F129-L133 HydrophobicContact CZ-CG 4.3Å; F129-L133 WeakPolarHBondContact O-CB 3.08Å; F129-L133 PolarHBondContact O-N 2.88Å
130	K	87.7	Confident	81.9	Confident	53 Å²	53	78.2 Å²	78.2	23%	0.23	36%	0.363	C	S	.	.	H	α-helix	trans	-59.8	-41.9	178.8	-76.6	-66.4	-163.9	178.8	0	111.5	D62 F126 V127 K134 E147	D62-K130 IonicContact OD1-NZ 3.28Å; D62-K130 PolarHBondContact OD1-NZ 2.94Å; F126-K130 HydrophobicContact CD1-CG 4.25Å; F126-K130 HydrophobicContact CE1-CG 3.84Å; F126-K130 HydrophobicContact CZ-CG 4.28Å; F126-K130 PolarHBondContact O-N 3.42Å; V127-K130 PolarHBondContact O-N 2.99Å; K130-K134 WeakPolarHBondContact O-CB 3.37Å; K130-K134 PolarHBondContact O-N 3.35Å; K130-E147 IonicContact NZ-OE1 3.92Å; K130-E147 PolarHBondContact NZ-OE1 3.14Å; K130-E147 IonicContact NZ-OE2 2.73Å
131	Q	87.6	Confident	81.2	Confident	133 Å²	133	80.2 Å²	80.2	62%	0.621	39%	0.392	S	S	*	.	H	α-helix	trans	-64.9	-47	178	-173.6	177	5	0	0	112.1	V127 Q128 F129 K134 E135	V127-Q131 WeakPolarHBondContact O-CB 3.3Å; V127-Q131 PolarHBondContact O-N 3.39Å; Q128-Q131 PolarHBondContact O-N 3.34Å; F129-Q131 VanDerWaalsContact C-N 3.3Å; F129-Q131 PolarHBondContact O-N 2.8Å; Q131-K134 PolarHBondContact O-N 2.96Å; Q131-E135 PolarHBondContact O-N 3.46Å
132	Q	85.9	Confident	80.8	Confident	92 Å²	92	77.6 Å²	77.6	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-62.2	-43.6	178.6	-73.9	175	-29.1	0	0	111.6	L46 Q128 F129 E135 L136	L46-Q132 HydrophobicContact CD1-CB 4.49Å; L46-Q132 HydrophobicContact CD2-CB 3.93Å; Q128-Q132 WeakPolarHBondContact O-CB 3.46Å; Q128-Q132 VanDerWaalsContact O-CG 3.26Å; Q128-Q132 WeakPolarHBondContact O-CG 3.32Å; Q128-Q132 PolarHBondContact O-N 3.32Å; F129-Q132 PolarHBondContact O-N 2.93Å; Q132-E135 PolarHBondContact O-N 2.95Å; Q132-L136 VanDerWaalsContact O-CB 3.3Å; Q132-L136 WeakPolarHBondContact O-CB 3.38Å; Q132-L136 PolarHBondContact O-N 3.18Å
133	L	83.6	Confident	79.7	Confident	8 Å²	8	79.1 Å²	79.1	4%	0.042	38%	0.384	C	S	.	.	H	α-helix	trans	-62.6	-42.3	175.2	-82.1	177.9	0	0	0	112.4	A45 L46 V49 F129 L136 K137	A45-L133 HydrophobicContact CB-CD2 4.2Å; L46-L133 HydrophobicContact CD2-CD2 4.08Å; L46-L133 HydrophobicContact CD2-CG 4.36Å; V49-L133 HydrophobicContact CG2-CD2 3.76Å; F129-L133 HydrophobicContact CD1-CD1 4.23Å; F129-L133 HydrophobicContact CD2-CD1 3.98Å; F129-L133 HydrophobicContact CD2-CG 4.33Å; F129-L133 HydrophobicContact CE1-CD1 3.62Å; F129-L133 HydrophobicContact CE2-CD1 3.37Å; F129-L133 HydrophobicContact CE2-CG 4.05Å; F129-L133 HydrophobicContact CG-CD1 4.41Å; F129-L133 HydrophobicContact CZ-CD1 3.17Å; F129-L133 HydrophobicContact CZ-CG 4.3Å; F129-L133 WeakPolarHBondContact O-CB 3.08Å; F129-L133 PolarHBondContact O-N 2.88Å; L133-L136 PolarHBondContact O-N 3.27Å; L133-K137 VanDerWaalsContact O-CB 3.3Å; L133-K137 WeakPolarHBondContact O-CB 3.39Å; L133-K137 VanDerWaalsContact O-CG 3.25Å; L133-K137 WeakPolarHBondContact O-CG 3.39Å; L133-K137 PolarHBondContact O-N 3.46Å
134	K	83.7	Confident	78.1	Confident	146 Å²	146	80.3 Å²	80.3	64%	0.635	40%	0.398	S	S	*	.	H	α-helix	trans	-61.1	-46	178.4	-174.7	177.5	-177.6	175.2	0	111.5	K130 Q131 K138	K130-K134 WeakPolarHBondContact O-CB 3.37Å; K130-K134 PolarHBondContact O-N 3.35Å; Q131-K134 PolarHBondContact O-N 2.96Å; K134-K138 WeakPolarHBondContact O-CB 3.45Å; K134-K138 PolarHBondContact O-N 2.9Å; K134-K138 VanDerWaalsContact O-N 3.08Å
135	E	82.4	Confident	76.1	Confident	94 Å²	94	79.5 Å²	79.5	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-65.7	-43.6	178.3	-176.9	54.4	-144.2	0	0	111.5	Q131 Q132 K138 Q139	Q131-E135 PolarHBondContact O-N 3.46Å; Q132-E135 PolarHBondContact O-N 2.95Å; E135-K138 WeakPolarHBondContact O-CB 3.43Å; E135-K138 PolarHBondContact O-N 3.32Å; E135-Q139 WeakPolarHBondContact O-CG 3.31Å; E135-Q139 PolarHBondContact O-N 2.7Å; E135-Q139 VanDerWaalsContact O-N 3.09Å; E135-Q139 PolarHBondContact OE1-NE2 3.1Å
136	L	78.1	Confident	73.9	Confident	33 Å²	33	88.7 Å²	88.7	17%	0.173	43%	0.431	C	S	.	.	H	α-helix	trans	-65.1	-45.4	178.9	-164.2	66.9	0	0	0	111.6	L46 V49 Q132 L133 K138 Q139 Y140	L46-L136 HydrophobicContact CB-CD2 4.21Å; L46-L136 HydrophobicContact CD2-CD2 3.79Å; L46-L136 WeakPolarHBondContact O-CD2 3.43Å; V49-L136 HydrophobicContact CB-CD2 3.79Å; V49-L136 HydrophobicContact CB-CG 4.46Å; V49-L136 HydrophobicContact CG1-CB 4.33Å; V49-L136 HydrophobicContact CG1-CD2 3.69Å; V49-L136 HydrophobicContact CG1-CG 3.8Å; Q132-L136 VanDerWaalsContact O-CB 3.3Å; Q132-L136 WeakPolarHBondContact O-CB 3.38Å; Q132-L136 PolarHBondContact O-N 3.18Å; L133-L136 PolarHBondContact O-N 3.27Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 3.39Å; L136-Q139 WeakPolarHBondContact O-CB 3.41Å; L136-Q139 PolarHBondContact O-N 3.45Å; L136-Q139 VanDerWaalsContact O-N 3.13Å; L136-Y140 HydrophobicContact CD1-CD2 4.3Å; L136-Y140 HydrophobicContact CD1-CE2 3.7Å; L136-Y140 HydrophobicContact CG-CD2 4.16Å; L136-Y140 HydrophobicContact CG-CE2 3.95Å; L136-Y140 VanDerWaalsContact O-CD2 3.23Å; L136-Y140 WeakPolarHBondContact O-CD2 3.43Å; L136-Y140 PolarHBondContact O-N 3.11Å
137	K	75.4	Confident	71.8	Confident	38 Å²	38	94.3 Å²	94.3	17%	0.165	46%	0.458	C	S	.	.	H	α-helix	trans	-57.7	-40.7	175	-75.5	179.9	178.7	-174.3	0	111.6	V49 L133 Q139 Y140 G141 L142 D145	V49-K137 HydrophobicContact CG1-CG 4.29Å; L133-K137 VanDerWaalsContact O-CB 3.3Å; L133-K137 WeakPolarHBondContact O-CB 3.39Å; L133-K137 VanDerWaalsContact O-CG 3.25Å; L133-K137 WeakPolarHBondContact O-CG 3.39Å; L133-K137 PolarHBondContact O-N 3.46Å; K137-Q139 PolarHBondContact O-N 3.38Å; K137-Y140 PolarHBondContact O-N 3.34Å; K137-G141 PolarHBondContact O-N 3.02Å; K137-G141 VanDerWaalsContact O-N 3.13Å; K137-L142 HydrophobicContact CB-CB 4.32Å; K137-L142 HydrophobicContact CG-CB 4.47Å; K137-L142 PolarHBondContact O-N 3.43Å; K137-D145 IonicContact NZ-OD2 3.37Å
138	K	78.2	Confident	69.5	Low	160 Å²	160	97.4 Å²	97.4	70%	0.696	49%	0.488	S	S	*	.	H	α-helix	trans	-60.7	-42.5	175.4	-176.4	-177	177.4	-174.2	0	112.3	K134 E135 L136 Y140 G141	K134-K138 WeakPolarHBondContact O-CB 3.45Å; K134-K138 PolarHBondContact O-N 2.9Å; K134-K138 VanDerWaalsContact O-N 3.08Å; E135-K138 WeakPolarHBondContact O-CB 3.43Å; E135-K138 PolarHBondContact O-N 3.32Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 3.39Å; K138-Y140 VanDerWaalsContact C-N 3.28Å; K138-Y140 PolarHBondContact O-N 3.02Å; K138-G141 PolarHBondContact O-N 3.44Å
139	Q	72.5	Confident	67	Low	126 Å²	126	100.1 Å²	100.1	59%	0.589	51%	0.505	S	S	*	.	H	α-helix	trans	-63.6	-33.1	178.5	-70	174.3	17.8	0	0	112.9	E135 L136 K137	E135-Q139 WeakPolarHBondContact O-CG 3.31Å; E135-Q139 PolarHBondContact O-N 2.7Å; E135-Q139 VanDerWaalsContact O-N 3.09Å; E135-Q139 PolarHBondContact OE1-NE2 3.1Å; L136-Q139 WeakPolarHBondContact O-CB 3.41Å; L136-Q139 PolarHBondContact O-N 3.45Å; L136-Q139 VanDerWaalsContact O-N 3.13Å; K137-Q139 PolarHBondContact O-N 3.38Å
140	Y	65.4	Low	64.7	Low	105 Å²	105	103.3 Å²	103.3	41%	0.412	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	3.4	178.6	-69.5	-74.4	0	0	0	114.3	V49 L136 K137 K138 L142	V49-Y140 HydrophobicContact CG1-CD2 4.38Å; L136-Y140 HydrophobicContact CD1-CD2 4.3Å; L136-Y140 HydrophobicContact CD1-CE2 3.7Å; L136-Y140 HydrophobicContact CG-CD2 4.16Å; L136-Y140 HydrophobicContact CG-CE2 3.95Å; L136-Y140 VanDerWaalsContact O-CD2 3.23Å; L136-Y140 WeakPolarHBondContact O-CD2 3.43Å; L136-Y140 PolarHBondContact O-N 3.11Å; K137-Y140 PolarHBondContact O-N 3.34Å; K138-Y140 VanDerWaalsContact C-N 3.28Å; K138-Y140 PolarHBondContact O-N 3.02Å; Y140-L142 PolarHBondContact O-N 3.06Å
141	G	63.4	Low	62.3	Low	70 Å²	70	107 Å²	107	72%	0.722	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.9	17.6	-178.5	0	0	0	0	0	114.1	K137 K138	K137-G141 PolarHBondContact O-N 3.02Å; K137-G141 VanDerWaalsContact O-N 3.13Å; K138-G141 PolarHBondContact O-N 3.44Å
142	L	63.3	Low	60.1	Low	78 Å²	78	110.3 Å²	110.3	41%	0.408	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-79.5	129.4	173.2	-63.2	170.7	0	0	0	107.5	V49 K137 Y140 A144	V49-L142 HydrophobicContact CG1-CD1 4.31Å; K137-L142 HydrophobicContact CB-CB 4.32Å; K137-L142 HydrophobicContact CG-CB 4.47Å; K137-L142 PolarHBondContact O-N 3.43Å; Y140-L142 PolarHBondContact O-N 3.06Å; L142-A144 PolarHBondContact O-N 3.36Å; L142-A144 VanDerWaalsContact O-N 3.17Å
143	Q	54.1	Low	57.6	Low	166 Å²	166	109.4 Å²	109.4	78%	0.776	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-56.7	127.5	175.3	-80.5	-167.8	1.5	0	0	108.9	D145	Q143-D145 PolarHBondContact O-N 2.92Å
144	A	48.7	Very low	55.5	Low	48 Å²	48	115.4 Å²	115.4	40%	0.397	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-62.9	122.8	158.9	0	0	0	0	0	106	L142 R146	L142-A144 PolarHBondContact O-N 3.36Å; L142-A144 VanDerWaalsContact O-N 3.17Å; A144-R146 PolarHBondContact O-N 3.41Å
145	D	46.5	Very low	53.4	Low	123 Å²	123	115.4 Å²	115.4	66%	0.658	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-48	122.3	167.9	-66.1	-57.3	0	0	0	106.9	K137 Q143 E147	K137-D145 IonicContact NZ-OD2 3.37Å; Q143-D145 PolarHBondContact O-N 2.92Å; D145-E147 PolarHBondContact O-N 3.42Å
146	R	41.4	Very low	51.3	Low	243 Å²	243	118.9 Å²	118.9	92%	0.917	66%	0.656	S	S	*	*			trans	-63.3	87.5	175.5	-78.4	-177.9	175.7	-173.6	-2	107.3	A144 A148	A144-R146 PolarHBondContact O-N 3.41Å; R146-A148 PolarHBondContact O-N 3.09Å
147	E	42.8	Very low	49.5	Very low	135 Å²	135	126.6 Å²	126.6	63%	0.631	69%	0.691	S	S	*	*			trans	-68.2	114.1	157	-75.5	179.4	178.8	0	0	105.7	K130 D145 D149	K130-E147 IonicContact NZ-OE1 3.92Å; K130-E147 PolarHBondContact NZ-OE1 3.14Å; K130-E147 IonicContact NZ-OE2 2.73Å; D145-E147 PolarHBondContact O-N 3.42Å; E147-D149 VanDerWaalsContact C-N 3.33Å; E147-D149 PolarHBondContact O-N 3.38Å
148	A	40.1	Very low	47.7	Very low	109 Å²	109	132 Å²	132	90%	0.901	72%	0.718	S	S	*	*			trans	-63.4	93	176.9	0	0	0	0	0	108.9	R146	R146-A148 PolarHBondContact O-N 3.09Å
149	D	36	Very low	45.6	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	72%	0.721	S	S	*	*			trans	-117.3	117.4	161.1	-164.4	15.6	0	0	0	108.3	E147 T151	E147-D149 VanDerWaalsContact C-N 3.33Å; E147-D149 PolarHBondContact O-N 3.38Å; D149-T151 PolarHBondContact O-N 3.47Å
150	G	42.2	Very low	43.9	Very low	68 Å²	68	129.9 Å²	129.9	70%	0.701	72%	0.721	S	S	*	*			trans	-73.3	110.6	-174.8	0	0	0	0	0	110
151	T	36.1	Very low	42.4	Very low	132 Å²	132	130.2 Å²	130.2	81%	0.81	73%	0.734	S	S	*	*			trans	-154.9	117.8	146.9	3.7	0	0	0	0	108.6	D149	D149-T151 PolarHBondContact O-N 3.47Å
152	E	42.7	Very low	41.1	Very low	202 Å²	202	134.4 Å²	134.4	94%	0.944	74%	0.735	S	S	*	*			trans	-64.1	136.8	176.7	-61.4	-174.8	158.8	0	0	110.7
153	G	33.2	Very low	40.1	Very low	73 Å²	73	135.4 Å²	135.4	75%	0.753	75%	0.748	S	S	*	*			trans	-173.3	100.5	174.3	0	0	0	0	0	108.7
154	V	39.5	Very low	39.8	Very low	133 Å²	133	134 Å²	134	81%	0.806	74%	0.742	S	S	*	*			trans	-61.6	158.7	-169	-178.3	0	0	0	0	113.9
155	D	39.5	Very low	40.4	Very low	146 Å²	146	135.7 Å²	135.7	78%	0.781	75%	0.747	S	S	*	*			trans	85.7	120.3	165.2	-84.7	-17.3	0	0	0	117.3
156	E	38.3	Very low	41.7	Very low	168 Å²	168	135.3 Å²	135.3	79%	0.785	75%	0.745	S	S	*	*			cis	-139.3	141.1	17.3	-67.9	168.6	147.5	0	0	108.8	M158	E156-M158 PolarHBondContact O-N 3.06Å
157	E	40	Very low	44	Very low	195 Å²	195	125.3 Å²	125.3	91%	0.911	71%	0.708	S	S	*	*			trans	-65.7	81.5	160.3	-92.2	-173.3	162.2	0	0	108.8	I159	E157-I159 VanDerWaalsContact C-N 3.34Å; E157-I159 PolarHBondContact O-N 3.22Å
158	M	37.8	Very low	46.3	Very low	150 Å²	150	123.5 Å²	123.5	74%	0.739	70%	0.701	S	S	*	*			trans	-69.6	102.5	157.7	-166.1	174.8	80.1	0	0	105.9	E156 V160	E156-M158 PolarHBondContact O-N 3.06Å; M158-V160 HydrophobicContact CE-CG2 3.69Å; M158-V160 PolarHBondContact O-N 3.45Å
159	I	34.4	Very low	48.8	Very low	144 Å²	144	118.4 Å²	118.4	74%	0.738	66%	0.659	S	S	*	*			trans	-57.7	92.5	165.4	-56.2	172.7	0	0	0	106.1	E157 T161	E157-I159 VanDerWaalsContact C-N 3.34Å; E157-I159 PolarHBondContact O-N 3.22Å; I159-T161 PolarHBondContact O-N 3.02Å
160	V	36.9	Very low	51.3	Low	99 Å²	99	113.9 Å²	113.9	60%	0.6	64%	0.637	S	S	*	*			trans	-71	90.7	169.1	-179.4	0	0	0	0	105	M158 Q162	M158-V160 HydrophobicContact CE-CG2 3.69Å; M158-V160 PolarHBondContact O-N 3.45Å; V160-Q162 PolarHBondContact O-N 2.85Å
161	T	32.4	Very low	53.8	Low	112 Å²	112	113 Å²	113	69%	0.687	62%	0.616	S	S	*	*			trans	-53.6	112.1	156.9	47.5	0	0	0	0	105.3	I159 S163	I159-T161 PolarHBondContact O-N 3.02Å; T161-S163 VanDerWaalsContact C-N 3.26Å; T161-S163 PolarHBondContact O-N 3.41Å
162	Q	37.4	Very low	56.5	Low	158 Å²	158	109.5 Å²	109.5	74%	0.738	59%	0.594	S	S	*	*			trans	-45.7	100.2	166.8	178.1	-175.9	63.5	0	0	105.9	V160 Q164	V160-Q162 PolarHBondContact O-N 2.85Å; Q162-Q164 PolarHBondContact O-N 3.16Å
163	S	42.3	Very low	58.8	Low	99 Å²	99	106 Å²	106	69%	0.692	58%	0.582	S	S	*	*			trans	-69.4	90.2	174	49.2	0	0	0	0	103.9	T161 T165	T161-S163 VanDerWaalsContact C-N 3.26Å; T161-S163 PolarHBondContact O-N 3.41Å; S163-T165 VanDerWaalsContact C-N 3.33Å; S163-T165 PolarHBondContact O-N 2.94Å
164	Q	48.5	Very low	61.5	Low	137 Å²	137	108.1 Å²	108.1	64%	0.64	58%	0.575	S	S	*	*			trans	-50.3	107.5	169.9	-72.1	179.6	-7.8	0	0	105.3	Q162 N166	Q162-Q164 PolarHBondContact O-N 3.16Å; Q164-N166 VanDerWaalsContact C-N 3.27Å; Q164-N166 PolarHBondContact O-N 3.41Å
165	T	60.1	Low	63.9	Low	82 Å²	82	104.7 Å²	104.7	50%	0.503	55%	0.55	S	S	.	.			trans	-62.9	98.7	174.5	38.7	0	0	0	0	105.6	S163 F167	S163-T165 VanDerWaalsContact C-N 3.33Å; S163-T165 PolarHBondContact O-N 2.94Å; T165-F167 WeakPolarHBondContact O-CD1 3.34Å; T165-F167 PolarHBondContact O-N 2.93Å; T165-F167 VanDerWaalsContact OG1-CE1 3.31Å; T165-F167 WeakPolarHBondContact OG1-CE1 3.41Å; T165-F167 WeakPolarHBondContact OG1-CZ 3.15Å
166	N	74.1	Confident	66.5	Low	116 Å²	116	98 Å²	98	62%	0.62	51%	0.514	S	S	*	.			trans	-64	104	-179.2	-75.1	-58.4	0	0	0	108.4	Q164 M168	Q164-N166 VanDerWaalsContact C-N 3.27Å; Q164-N166 PolarHBondContact O-N 3.41Å; N166-M168 PolarHBondContact O-N 2.9Å
167	F	89.6	Confident	69.1	Low	32 Å²	32	98.2 Å²	98.2	14%	0.14	51%	0.513	C	S	.	.			trans	-74.9	-9	176.1	-57.4	-39.1	0	0	0	112.9	T165 E175 M176 L231 A234 I235 H238	T165-F167 WeakPolarHBondContact O-CD1 3.34Å; T165-F167 PolarHBondContact O-N 2.93Å; T165-F167 VanDerWaalsContact OG1-CE1 3.31Å; T165-F167 WeakPolarHBondContact OG1-CE1 3.41Å; T165-F167 WeakPolarHBondContact OG1-CZ 3.15Å; F167-E175 HydrophobicContact CB-CG 4.02Å; F167-E175 WeakPolarHBondContact O-CA 3.34Å; F167-M176 WeakPolarHBondContact O-CE 3.39Å; F167-M176 PolarHBondContact O-N 3.2Å; F167-L231 HydrophobicContact CD1-CD1 3.86Å; F167-L231 HydrophobicContact CE1-CD1 4.01Å; F167-A234 HydrophobicContact CE1-CB 3.93Å; F167-A234 HydrophobicContact CZ-CB 4.33Å; F167-I235 HydrophobicContact CB-CD1 4.25Å; F167-I235 HydrophobicContact CB-CG1 3.92Å; F167-I235 HydrophobicContact CD1-CD1 4.22Å; F167-I235 HydrophobicContact CD1-CG1 3.4Å; F167-I235 VanDerWaalsContact CD1-CG1 3.4Å; F167-I235 HydrophobicContact CE1-CG1 4.03Å; F167-I235 HydrophobicContact CG-CG1 3.74Å; F167-H238 HydrophobicContact CD2-CB 4.3Å; F167-H238 AromaticContact CD2-CD2 3.92Å; F167-H238 HydrophobicContact CE2-CB 3.65Å; F167-H238 AromaticContact CE2-CD2 3.92Å; F167-H238 AromaticContact CE2-CG 3.63Å; F167-H238 HydrophobicContact CZ-CB 4.28Å
168	M	91.3	Very high	71.7	Confident	98 Å²	98	93.7 Å²	93.7	48%	0.483	49%	0.49	S	S	.	.	B	Isolated β-bridge	trans	-80.2	126.2	-178.5	-53.8	-51.2	-70.2	0	0	111.6	N166 L173 E175	N166-M168 PolarHBondContact O-N 2.9Å; M168-L173 WeakPolarHBondContact CE-O 3.16Å; M168-E175 HydrophobicContact SD-CB 4.21Å
169	C	91.7	Very high	74.4	Confident	1 Å²	1	86.6 Å²	86.6	1%	0.007	46%	0.455	C	S	.	.			trans	-67.7	128.6	174.2	177.8	0	0	0	0	110.2	I171 T172 L173 L174 M176 E190	C169-I171 PolarHBondContact O-N 3.3Å; C169-I171 VanDerWaalsContact O-N 3.11Å; C169-I171 PolarHBondContact SG-N 2.99Å; C169-I171 VanDerWaalsContact SG-N 3.42Å; C169-T172 WeakPolarHBondContact CB-OG1 3.31Å; C169-L173 VanDerWaalsContact O-CA 3.28Å; C169-L173 WeakPolarHBondContact O-CA 3.28Å; C169-L173 PolarHBondContact O-N 2.96Å; C169-L174 WeakPolarHBondContact CB-O 3.43Å; C169-L174 PolarHBondContact N-O 3.41Å; C169-M176 HydrophobicContact CB-CG 3.57Å; C169-M176 HydrophobicContact CB-SD 4.33Å; C169-E190 HydrophobicContact CB-CB 4.13Å; C169-E190 VanDerWaalsContact SG-CB 3.6Å; C169-E190 PolarHBondContact SG-N 2.86Å
170	P	90.1	Very high	77.4	Confident	46 Å²	46	79.9 Å²	79.9	30%	0.299	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-7.5	179	29.5	-35.9	0	0	0	113.9	T188 Y189 K212	P170-T188 WeakPolarHBondContact CD-O 3.33Å; P170-Y189 HydrophobicContact CG-CD1 3.64Å; P170-Y189 HydrophobicContact CG-CE1 3.77Å; P170-K212 HydrophobicContact CB-CD 4.38Å
171	I	93.7	Very high	80.2	Confident	50 Å²	50	79.1 Å²	79.1	26%	0.256	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-52.3	178.4	-57.2	162.2	0	0	0	110.8	C169 Y189 A193 I194 I197 P211	C169-I171 PolarHBondContact O-N 3.3Å; C169-I171 VanDerWaalsContact O-N 3.11Å; C169-I171 PolarHBondContact SG-N 2.99Å; C169-I171 VanDerWaalsContact SG-N 3.42Å; I171-Y189 HydrophobicContact CD1-CD1 3.56Å; I171-Y189 HydrophobicContact CD1-CE1 4.39Å; I171-Y189 HydrophobicContact CD1-CG 4.06Å; I171-Y189 HydrophobicContact CG1-CD1 3.97Å; I171-A193 HydrophobicContact CB-CB 4.11Å; I171-A193 HydrophobicContact CD1-CB 4.05Å; I171-A193 HydrophobicContact CG2-CB 3.89Å; I171-I194 HydrophobicContact CD1-CB 3.9Å; I171-I194 HydrophobicContact CD1-CD1 4.13Å; I171-I197 HydrophobicContact CD1-CD1 3.87Å; I171-I197 HydrophobicContact CG1-CD1 4.06Å; I171-I197 HydrophobicContact CG2-CD1 3.83Å; I171-P211 HydrophobicContact CD1-CB 4.3Å; I171-P211 HydrophobicContact CD1-CG 4Å; I171-P211 HydrophobicContact CG1-CB 3.78Å; I171-P211 HydrophobicContact CG1-CG 4.03Å
172	T	93.1	Very high	83.1	Confident	58 Å²	58	73.8 Å²	73.8	36%	0.356	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-17.9	-175.1	61.7	0	0	0	0	112.5	C169 L174 E190 A193	C169-T172 WeakPolarHBondContact CB-OG1 3.31Å; T172-L174 PolarHBondContact O-N 3.08Å; T172-L174 VanDerWaalsContact O-N 3.16Å; T172-L174 PolarHBondContact OG1-N 2.94Å; T172-E190 HydrophobicContact CG2-CB 4.47Å; T172-A193 HydrophobicContact CG2-CB 3.59Å
173	L	91.2	Very high	85.7	Confident	130 Å²	130	72.1 Å²	72.1	68%	0.681	37%	0.367	S	S	*	.	S	Bend	trans	57.2	21.6	-171.7	-50.8	176.7	0	0	0	113	M168 C169	M168-L173 WeakPolarHBondContact CE-O 3.16Å; C169-L173 VanDerWaalsContact O-CA 3.28Å; C169-L173 WeakPolarHBondContact O-CA 3.28Å; C169-L173 PolarHBondContact O-N 2.96Å
174	L	89.9	Confident	88	Confident	116 Å²	116	71.5 Å²	71.5	61%	0.607	36%	0.359	S	S	*	.	S	Bend	trans	-113.7	160.6	174	-61.3	177.2	0	0	0	109.2	C169 T172 M176	C169-L174 WeakPolarHBondContact CB-O 3.43Å; C169-L174 PolarHBondContact N-O 3.41Å; T172-L174 PolarHBondContact O-N 3.08Å; T172-L174 VanDerWaalsContact O-N 3.16Å; T172-L174 PolarHBondContact OG1-N 2.94Å; L174-M176 PolarHBondContact O-N 2.95Å
175	E	90.3	Very high	90	Very high	61 Å²	61	66.6 Å²	66.6	29%	0.285	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-57.8	134	170.9	-167.1	178.3	172.2	0	0	110.4	F167 M168 I235 N239	F167-E175 HydrophobicContact CB-CG 4.02Å; F167-E175 WeakPolarHBondContact O-CA 3.34Å; M168-E175 HydrophobicContact SD-CB 4.21Å; E175-I235 HydrophobicContact CG-CG2 4.1Å; E175-I235 VanDerWaalsContact OE1-CG2 3.24Å; E175-I235 WeakPolarHBondContact OE1-CG2 3.46Å; E175-N239 PolarHBondContact OE1-ND2 2.72Å; E175-N239 PolarHBondContact OE1-OD1 3.25Å; E175-N239 PolarHBondContact OE2-OD1 2.99Å
176	M	93.1	Very high	91.4	Very high	5 Å²	5	64.4 Å²	64.4	3%	0.025	33%	0.333	C	S	.	.			trans	-70.1	136.1	180	-70.2	173.8	-80.1	0	0	110.5	F167 C169 L174 P179 T188 E190 L231 I235	F167-M176 WeakPolarHBondContact O-CE 3.39Å; F167-M176 PolarHBondContact O-N 3.2Å; C169-M176 HydrophobicContact CB-CG 3.57Å; C169-M176 HydrophobicContact CB-SD 4.33Å; L174-M176 PolarHBondContact O-N 2.95Å; M176-P179 HydrophobicContact CB-CB 4.16Å; M176-P179 HydrophobicContact SD-CB 4.03Å; M176-T188 HydrophobicContact SD-CG2 4.03Å; M176-E190 WeakPolarHBondContact CA-OE2 3.25Å; M176-E190 HydrophobicContact CG-CB 4.41Å; M176-L231 HydrophobicContact CE-CD2 3.64Å; M176-L231 HydrophobicContact SD-CD2 4.33Å; M176-I235 HydrophobicContact CB-CD1 3.72Å; M176-I235 WeakPolarHBondContact O-CD1 3.49Å; M176-I235 VanDerWaalsContact O-CG2 3.28Å; M176-I235 WeakPolarHBondContact O-CG2 3.49Å
177	K	92.4	Very high	92.4	Very high	174 Å²	174	61.4 Å²	61.4	76%	0.757	32%	0.315	S	S	*	.	S	Bend	trans	-100.2	-40.9	171.4	-64.3	-176.9	179.4	-178.2	0	111.3	E190	K177-E190 PolarHBondContact N-OE2 3.45Å
178	K	95.1	Very high	92.6	Very high	100 Å²	100	61.3 Å²	61.3	44%	0.435	32%	0.317	S	S	.	.	S	Bend	trans	-125.2	80	176.1	-63.1	176.6	-176.4	167.5	0	109.4	V180 E190 E191 E192	K178-V180 PolarHBondContact O-N 3.28Å; K178-E190 WeakPolarHBondContact CB-OE1 3.46Å; K178-E190 PolarHBondContact N-OE1 2.96Å; K178-E190 PolarHBondContact N-OE2 3.45Å; K178-E190 VanDerWaalsContact N-OE2 3.15Å; K178-E191 HydrophobicContact CB-CB 3.95Å; K178-E191 WeakPolarHBondContact O-CB 3.43Å; K178-E191 PolarHBondContact O-N 3.09Å; K178-E192 IonicContact NZ-OE1 2.97Å
179	P	95.4	Very high	92.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.3	-177.9	27.9	-33.1	0	0	0	111.4	M176 T188 Y189 Q227 D228 L231 R232 I235	M176-P179 HydrophobicContact CB-CB 4.16Å; M176-P179 HydrophobicContact SD-CB 4.03Å; P179-T188 HydrophobicContact CB-CG2 3.71Å; P179-Y189 CarbonylContact C-O 3.26Å; P179-Y189 WeakPolarHBondContact CA-O 3.42Å; P179-Q227 PolarHBondContact O-OE1 3.28Å; P179-D228 HydrophobicContact CB-CB 4.22Å; P179-D228 HydrophobicContact CG-CB 4.45Å; P179-D228 WeakPolarHBondContact O-CB 3.31Å; P179-D228 PolarHBondContact O-N 3.33Å; P179-L231 HydrophobicContact CB-CB 4.26Å; P179-L231 HydrophobicContact CB-CD2 3.84Å; P179-L231 HydrophobicContact CB-CG 4.17Å; P179-L231 HydrophobicContact CG-CB 4.11Å; P179-L231 HydrophobicContact CG-CD2 4.47Å; P179-L231 HydrophobicContact CG-CG 4.27Å; P179-R232 HydrophobicContact CG-CB 3.72Å; P179-R232 HydrophobicContact CG-CG 4.49Å; P179-I235 HydrophobicContact CG-CD1 4.37Å
180	V	96.4	Very high	93.1	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.1	171.8	-65.8	0	0	0	0	110.8	K178 T188 Y189 E191 I194 L225 I226	K178-V180 PolarHBondContact O-N 3.28Å; V180-T188 CarbonylContact O-C 3.54Å; V180-T188 VanDerWaalsContact O-CA 3.3Å; V180-T188 WeakPolarHBondContact O-CA 3.45Å; V180-T188 WeakPolarHBondContact O-CG2 3.25Å; V180-Y189 PolarHBondContact N-O 3.36Å; V180-Y189 PolarHBondContact O-N 2.9Å; V180-E191 HydrophobicContact CG1-CB 3.77Å; V180-E191 HydrophobicContact CG1-CG 3.88Å; V180-E191 HydrophobicContact CG2-CB 4.24Å; V180-I194 HydrophobicContact CG2-CG2 3.54Å; V180-L225 HydrophobicContact CB-CB 4.34Å; V180-L225 HydrophobicContact CG2-CB 4.45Å; V180-L225 HydrophobicContact CG2-CD1 4.26Å; V180-L225 HydrophobicContact CG2-CD2 4.42Å; V180-I226 CarbonylContact C-O 3.46Å; V180-I226 WeakPolarHBondContact CA-O 3.39Å
181	K	95.2	Very high	93.4	Very high	83 Å²	83	58.3 Å²	58.3	36%	0.361	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.9	-179.4	-175.6	174.7	-176.9	174.5	0	110.5	K183 G186 L225 I226 D228	K181-K183 PolarHBondContact O-N 2.89Å; K181-G186 WeakPolarHBondContact CE-O 3.49Å; K181-L225 WeakPolarHBondContact O-CA 3.37Å; K181-I226 HydrophobicContact CB-CG1 4.13Å; K181-I226 PolarHBondContact N-O 2.92Å; K181-I226 VanDerWaalsContact O-CG1 3.26Å; K181-I226 WeakPolarHBondContact O-CG1 3.34Å; K181-I226 PolarHBondContact O-N 3.34Å; K181-D228 HydrophobicContact CB-CB 4.19Å
182	N	94.9	Very high	93.6	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.2	169	-177.3	-53.7	0	0	0	109.5	V184 C185 G186 H187 Y189 D224 L225	N182-V184 PolarHBondContact O-N 2.96Å; N182-V184 WeakPolarHBondContact OD1-CA 3.37Å; N182-V184 VanDerWaalsContact OD1-CB 3.26Å; N182-V184 WeakPolarHBondContact OD1-CB 3.43Å; N182-V184 PolarHBondContact OD1-N 2.87Å; N182-C185 PolarHBondContact OD1-N 3.34Å; N182-G186 VanDerWaalsContact O-CA 3.24Å; N182-G186 WeakPolarHBondContact O-CA 3.46Å; N182-G186 PolarHBondContact O-N 3.46Å; N182-H187 PolarHBondContact N-O 3.35Å; N182-Y189 HydrophobicContact CB-CE2 4.34Å; N182-D224 CarbonylContact C-O 3.51Å; N182-D224 WeakPolarHBondContact CA-O 3.37Å; N182-L225 HydrophobicContact CB-CD2 4.13Å
183	K	91.2	Very high	93.7	Very high	124 Å²	124	60.5 Å²	60.5	54%	0.539	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.3	-177.9	73.9	-166.1	-175.5	-164.4	0	114.8	K181 S223 D224 I226	K181-K183 PolarHBondContact O-N 2.89Å; K183-S223 PolarHBondContact NZ-O 3.3Å; K183-D224 HydrophobicContact CG-CB 4.42Å; K183-D224 WeakPolarHBondContact CG-O 3.4Å; K183-D224 PolarHBondContact N-O 3.45Å; K183-D224 IonicContact NZ-OD1 3.91Å; K183-I226 HydrophobicContact CB-CD1 4.4Å
184	V	90.8	Very high	94.1	Very high	86 Å²	86	54.3 Å²	54.3	52%	0.521	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-44.5	-179	-174.9	0	0	0	0	111.6	N182 D224	N182-V184 PolarHBondContact O-N 2.96Å; N182-V184 WeakPolarHBondContact OD1-CA 3.37Å; N182-V184 VanDerWaalsContact OD1-CB 3.26Å; N182-V184 WeakPolarHBondContact OD1-CB 3.43Å; N182-V184 PolarHBondContact OD1-N 2.87Å; V184-D224 HydrophobicContact CG2-CB 4.32Å
185	C	89.9	Confident	94.4	Very high	34 Å²	34	50.3 Å²	50.3	23%	0.23	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-5.5	-176.8	67.8	0	0	0	0	114.7	N182 H187 H217	N182-C185 PolarHBondContact OD1-N 3.34Å; C185-H187 PolarHBondContact O-N 2.95Å; C185-H187 PolarHBondContact SG-ND1 3.47Å; C185-H187 VanDerWaalsContact SG-ND1 3.38Å; C185-H217 HydrophobicContact CB-CB 3.9Å
186	G	90.6	Very high	94.7	Very high	36 Å²	36	49 Å²	49	37%	0.371	26%	0.257	S	S	.	.			trans	76.2	-1.1	176	0	0	0	0	0	115.8	K181 N182	K181-G186 WeakPolarHBondContact CE-O 3.49Å; N182-G186 VanDerWaalsContact O-CA 3.24Å; N182-G186 WeakPolarHBondContact O-CA 3.46Å; N182-G186 PolarHBondContact O-N 3.46Å
187	H	93.8	Very high	94.9	Very high	53 Å²	53	51.2 Å²	51.2	25%	0.245	27%	0.269	C	S	.	.			trans	-79.3	143.7	-179.6	-64.7	115.2	0	0	0	112.6	N182 C185 Y189 K212 C215	N182-H187 PolarHBondContact N-O 3.35Å; C185-H187 PolarHBondContact O-N 2.95Å; C185-H187 PolarHBondContact SG-ND1 3.47Å; C185-H187 VanDerWaalsContact SG-ND1 3.38Å; H187-Y189 HydrophobicContact CB-CE1 4.49Å; H187-Y189 HydrophobicContact CB-CE2 3.95Å; H187-Y189 WeakPolarHBondContact CB-OH 3.46Å; H187-Y189 VanDerWaalsContact O-CE2 3.27Å; H187-Y189 WeakPolarHBondContact O-CE2 3.31Å; H187-K212 HydrophobicContact CB-CB 4.43Å; H187-C215 VanDerWaalsContact CE1-SG 3.58Å
188	T	94.8	Very high	95.1	Very high	29 Å²	29	43.8 Å²	43.8	18%	0.178	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.7	-177.3	-47.8	0	0	0	0	111.6	P170 M176 P179 V180 D228 L231	P170-T188 WeakPolarHBondContact CD-O 3.33Å; M176-T188 HydrophobicContact SD-CG2 4.03Å; P179-T188 HydrophobicContact CB-CG2 3.71Å; V180-T188 CarbonylContact O-C 3.54Å; V180-T188 VanDerWaalsContact O-CA 3.3Å; V180-T188 WeakPolarHBondContact O-CA 3.45Å; V180-T188 WeakPolarHBondContact O-CG2 3.25Å; T188-D228 HydrophobicContact CG2-CB 4.15Å; T188-D228 PolarHBondContact OG1-OD2 3.41Å; T188-L231 HydrophobicContact CG2-CD2 3.51Å
189	Y	95.7	Very high	95.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	160.9	-174.6	-49.6	-81	0	0	0	110.8	P170 I171 P179 V180 N182 H187 E191 I194 C210 P211	P170-Y189 HydrophobicContact CG-CD1 3.64Å; P170-Y189 HydrophobicContact CG-CE1 3.77Å; I171-Y189 HydrophobicContact CD1-CD1 3.56Å; I171-Y189 HydrophobicContact CD1-CE1 4.39Å; I171-Y189 HydrophobicContact CD1-CG 4.06Å; I171-Y189 HydrophobicContact CG1-CD1 3.97Å; P179-Y189 CarbonylContact C-O 3.26Å; P179-Y189 WeakPolarHBondContact CA-O 3.42Å; V180-Y189 PolarHBondContact N-O 3.36Å; V180-Y189 PolarHBondContact O-N 2.9Å; N182-Y189 HydrophobicContact CB-CE2 4.34Å; H187-Y189 HydrophobicContact CB-CE1 4.49Å; H187-Y189 HydrophobicContact CB-CE2 3.95Å; H187-Y189 WeakPolarHBondContact CB-OH 3.46Å; H187-Y189 VanDerWaalsContact O-CE2 3.27Å; H187-Y189 WeakPolarHBondContact O-CE2 3.31Å; Y189-E191 PolarHBondContact O-N 3.35Å; Y189-I194 HydrophobicContact CD2-CB 4.26Å; Y189-I194 HydrophobicContact CD2-CD1 4.33Å; Y189-I194 HydrophobicContact CD2-CG1 4.04Å; Y189-I194 HydrophobicContact CE2-CD1 4.47Å; Y189-I194 HydrophobicContact CG-CB 4.01Å; Y189-I194 HydrophobicContact CG-CD1 4.36Å; Y189-I194 HydrophobicContact CG-CG1 4.2Å; Y189-I194 HydrophobicContact CG-CG2 4.45Å; Y189-C210 PolarHBondContact OH-SG 2.92Å; Y189-P211 HydrophobicContact CE1-CB 4.07Å; Y189-P211 HydrophobicContact CE1-CG 4.06Å
190	E	97.2	Very high	95.1	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.093	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.8	159.3	179.3	55.1	-124.1	0	0	110.1	C169 T172 M176 K177 K178 E192 A193 I194	C169-E190 HydrophobicContact CB-CB 4.13Å; C169-E190 VanDerWaalsContact SG-CB 3.6Å; C169-E190 PolarHBondContact SG-N 2.86Å; T172-E190 HydrophobicContact CG2-CB 4.47Å; M176-E190 WeakPolarHBondContact CA-OE2 3.25Å; M176-E190 HydrophobicContact CG-CB 4.41Å; K177-E190 PolarHBondContact N-OE2 3.45Å; K178-E190 WeakPolarHBondContact CB-OE1 3.46Å; K178-E190 PolarHBondContact N-OE1 2.96Å; K178-E190 PolarHBondContact N-OE2 3.45Å; K178-E190 VanDerWaalsContact N-OE2 3.15Å; E190-E192 PolarHBondContact O-N 3.34Å; E190-A193 HydrophobicContact CB-CB 4Å; E190-A193 HydrophobicContact CG-CB 4.31Å; E190-A193 WeakPolarHBondContact O-CB 3.23Å; E190-A193 PolarHBondContact O-N 2.95Å; E190-I194 PolarHBondContact O-N 3.46Å; E190-I194 VanDerWaalsContact O-N 3.09Å
191	E	96.8	Very high	95	Very high	62 Å²	62	50.7 Å²	50.7	29%	0.29	27%	0.273	S	S	.	.	H	α-helix	trans	-53	-54.7	-174.5	-177.1	171.2	-162.5	0	0	112.3	K178 V180 Y189 A193 I194 V195 Q227	K178-E191 HydrophobicContact CB-CB 3.95Å; K178-E191 WeakPolarHBondContact O-CB 3.43Å; K178-E191 PolarHBondContact O-N 3.09Å; V180-E191 HydrophobicContact CG1-CB 3.77Å; V180-E191 HydrophobicContact CG1-CG 3.88Å; V180-E191 HydrophobicContact CG2-CB 4.24Å; Y189-E191 PolarHBondContact O-N 3.35Å; E191-A193 PolarHBondContact O-N 3.23Å; E191-I194 WeakPolarHBondContact O-CG2 3.39Å; E191-I194 PolarHBondContact O-N 2.9Å; E191-V195 HydrophobicContact CG-CG2 4.35Å; E191-V195 VanDerWaalsContact O-CB 3.28Å; E191-V195 WeakPolarHBondContact O-CB 3.09Å; E191-V195 WeakPolarHBondContact O-CG2 3.43Å; E191-V195 PolarHBondContact O-N 2.88Å; E191-Q227 PolarHBondContact OE1-NE2 2.95Å; E191-Q227 PolarHBondContact OE2-NE2 2.98Å; E191-Q227 VanDerWaalsContact OE2-NE2 3.11Å
192	E	96.9	Very high	94.9	Very high	135 Å²	135	53.7 Å²	53.7	63%	0.631	29%	0.288	S	S	*	.	H	α-helix	trans	-61.5	-36.5	-176.2	-64.1	-178.9	-175.1	0	0	111.2	K178 E190 G196	K178-E192 IonicContact NZ-OE1 2.97Å; E190-E192 PolarHBondContact O-N 3.34Å; E192-G196 PolarHBondContact O-N 2.82Å
193	A	96.9	Very high	94.8	Very high	20 Å²	20	61.8 Å²	61.8	17%	0.165	32%	0.323	C	S	.	.	H	α-helix	trans	-69.9	-48.6	-178.1	0	0	0	0	0	112.3	I171 T172 E190 E191 G196 I197	I171-A193 HydrophobicContact CB-CB 4.11Å; I171-A193 HydrophobicContact CD1-CB 4.05Å; I171-A193 HydrophobicContact CG2-CB 3.89Å; T172-A193 HydrophobicContact CG2-CB 3.59Å; E190-A193 HydrophobicContact CB-CB 4Å; E190-A193 HydrophobicContact CG-CB 4.31Å; E190-A193 WeakPolarHBondContact O-CB 3.23Å; E190-A193 PolarHBondContact O-N 2.95Å; E191-A193 PolarHBondContact O-N 3.23Å; A193-G196 PolarHBondContact O-N 2.96Å; A193-I197 PolarHBondContact O-N 2.9Å
194	I	97.6	Very high	94.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.4	-37.5	179.9	-173.8	62.5	0	0	0	111.5	I171 V180 Y189 E190 E191 G196 I197 I198 P211 V220 L225	I171-I194 HydrophobicContact CD1-CB 3.9Å; I171-I194 HydrophobicContact CD1-CD1 4.13Å; V180-I194 HydrophobicContact CG2-CG2 3.54Å; Y189-I194 HydrophobicContact CD2-CB 4.26Å; Y189-I194 HydrophobicContact CD2-CD1 4.33Å; Y189-I194 HydrophobicContact CD2-CG1 4.04Å; Y189-I194 HydrophobicContact CE2-CD1 4.47Å; Y189-I194 HydrophobicContact CG-CB 4.01Å; Y189-I194 HydrophobicContact CG-CD1 4.36Å; Y189-I194 HydrophobicContact CG-CG1 4.2Å; Y189-I194 HydrophobicContact CG-CG2 4.45Å; E190-I194 PolarHBondContact O-N 3.46Å; E190-I194 VanDerWaalsContact O-N 3.09Å; E191-I194 WeakPolarHBondContact O-CG2 3.39Å; E191-I194 PolarHBondContact O-N 2.9Å; I194-G196 VanDerWaalsContact C-N 3.34Å; I194-G196 PolarHBondContact O-N 3.47Å; I194-I197 PolarHBondContact O-N 3.03Å; I194-I198 HydrophobicContact CG1-CD1 4.08Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.39Å; I194-I198 PolarHBondContact O-N 3.25Å; I194-P211 HydrophobicContact CD1-CG 3.67Å; I194-V220 HydrophobicContact CD1-CG1 4.33Å; I194-V220 HydrophobicContact CG1-CG1 4.45Å; I194-L225 HydrophobicContact CG1-CD1 4.12Å; I194-L225 HydrophobicContact CG1-CD2 4.25Å; I194-L225 HydrophobicContact CG2-CD1 3.59Å; I194-L225 HydrophobicContact CG2-CD2 4.45Å
195	V	97.4	Very high	95	Very high	31 Å²	31	66.2 Å²	66.2	19%	0.188	34%	0.336	C	S	.	.	H	α-helix	trans	-61	-44.4	176.1	167.4	0	0	0	0	110.6	E191 I197 I198 E199 L225	E191-V195 HydrophobicContact CG-CG2 4.35Å; E191-V195 VanDerWaalsContact O-CB 3.28Å; E191-V195 WeakPolarHBondContact O-CB 3.09Å; E191-V195 WeakPolarHBondContact O-CG2 3.43Å; E191-V195 PolarHBondContact O-N 2.88Å; V195-I197 PolarHBondContact O-N 3.3Å; V195-I198 PolarHBondContact O-N 3.33Å; V195-E199 HydrophobicContact CG1-CG 4.44Å; V195-E199 WeakPolarHBondContact O-CG 3.46Å; V195-E199 PolarHBondContact O-N 3.05Å; V195-L225 HydrophobicContact CG2-CD1 4.31Å
196	G	96.8	Very high	95.3	Very high	35 Å²	35	70.9 Å²	70.9	36%	0.361	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-41.1	175.8	0	0	0	0	0	113.5	E192 A193 I194 S200	E192-G196 PolarHBondContact O-N 2.82Å; A193-G196 PolarHBondContact O-N 2.96Å; I194-G196 VanDerWaalsContact C-N 3.34Å; I194-G196 PolarHBondContact O-N 3.47Å; G196-S200 VanDerWaalsContact O-CB 3.28Å; G196-S200 WeakPolarHBondContact O-CB 3.44Å; G196-S200 PolarHBondContact O-N 2.87Å
197	I	95.9	Very high	95.4	Very high	51 Å²	51	76.1 Å²	76.1	26%	0.262	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-46.6	175.1	-68.9	175.9	0	0	0	111	I171 A193 I194 V195 E199 S200 R201 P211	I171-I197 HydrophobicContact CD1-CD1 3.87Å; I171-I197 HydrophobicContact CG1-CD1 4.06Å; I171-I197 HydrophobicContact CG2-CD1 3.83Å; A193-I197 PolarHBondContact O-N 2.9Å; I194-I197 PolarHBondContact O-N 3.03Å; V195-I197 PolarHBondContact O-N 3.3Å; I197-E199 PolarHBondContact O-N 2.87Å; I197-S200 PolarHBondContact O-N 3.23Å; I197-R201 WeakPolarHBondContact O-CG 3.38Å; I197-R201 PolarHBondContact O-N 3.01Å; I197-P211 HydrophobicContact CD1-CB 4.48Å; I197-P211 HydrophobicContact CD1-CG 3.85Å
198	I	96.7	Very high	95.4	Very high	18 Å²	18	73.8 Å²	73.8	9%	0.092	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-48	-179.3	-65.6	163.5	0	0	0	110.4	I194 V195 R201 H202 A208 V220 K222 L225	I194-I198 HydrophobicContact CG1-CD1 4.08Å; I194-I198 VanDerWaalsContact O-CG1 3.3Å; I194-I198 WeakPolarHBondContact O-CG1 3.39Å; I194-I198 PolarHBondContact O-N 3.25Å; V195-I198 PolarHBondContact O-N 3.33Å; I198-R201 PolarHBondContact O-N 3.35Å; I198-H202 WeakPolarHBondContact O-CB 3.34Å; I198-H202 PolarHBondContact O-N 2.93Å; I198-A208 HydrophobicContact CB-CB 4.45Å; I198-A208 HydrophobicContact CG1-CB 4.06Å; I198-V220 HydrophobicContact CD1-CG1 3.75Å; I198-V220 HydrophobicContact CG1-CG1 4.06Å; I198-K222 HydrophobicContact CD1-CG 4.19Å; I198-K222 HydrophobicContact CG2-CG 4.05Å; I198-L225 HydrophobicContact CD1-CD1 3.84Å
199	E	96.3	Very high	95.4	Very high	80 Å²	80	80.6 Å²	80.6	37%	0.374	38%	0.378	S	S	.	.	H	α-helix	trans	-64.3	-43.8	-179.8	-71.5	-177	173.7	0	0	112.8	V195 I197 R201 H202 K203 K222	V195-E199 HydrophobicContact CG1-CG 4.44Å; V195-E199 WeakPolarHBondContact O-CG 3.46Å; V195-E199 PolarHBondContact O-N 3.05Å; I197-E199 PolarHBondContact O-N 2.87Å; E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 PolarHBondContact O-N 2.79Å; E199-H202 PolarHBondContact O-N 2.97Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.47Å; E199-K222 WeakPolarHBondContact OE1-CE 3.41Å; E199-K222 IonicContact OE1-NZ 3.73Å; E199-K222 PolarHBondContact OE1-NZ 3.4Å
200	S	95.3	Very high	95.4	Very high	59 Å²	59	81.2 Å²	81.2	41%	0.413	38%	0.382	S	S	.	.	H	α-helix	trans	-60.2	-44	178.2	179.9	0	0	0	0	111.7	G196 I197 K203 Q204	G196-S200 VanDerWaalsContact O-CB 3.28Å; G196-S200 WeakPolarHBondContact O-CB 3.44Å; G196-S200 PolarHBondContact O-N 2.87Å; I197-S200 PolarHBondContact O-N 3.23Å; S200-K203 PolarHBondContact O-N 3.4Å; S200-Q204 WeakPolarHBondContact O-CG 3.41Å; S200-Q204 PolarHBondContact O-N 3.01Å
201	R	94	Very high	95.2	Very high	109 Å²	109	82 Å²	82	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-68	-39.2	176.5	-67.3	-61.9	-172.8	-157.6	1.1	112.4	I197 I198 E199 K203 Q204 K205 K206 A208	I197-R201 WeakPolarHBondContact O-CG 3.38Å; I197-R201 PolarHBondContact O-N 3.01Å; I198-R201 PolarHBondContact O-N 3.35Å; E199-R201 VanDerWaalsContact C-N 3.34Å; E199-R201 PolarHBondContact O-N 2.79Å; R201-K203 VanDerWaalsContact C-N 3.35Å; R201-K203 PolarHBondContact O-N 3.11Å; R201-Q204 CarbonylContact O-C 3.58Å; R201-Q204 WeakPolarHBondContact O-CA 3.29Å; R201-Q204 WeakPolarHBondContact O-CB 3.46Å; R201-Q204 PolarHBondContact O-N 2.99Å; R201-Q204 VanDerWaalsContact O-N 3.08Å; R201-K205 PolarHBondContact O-N 2.94Å; R201-K206 CarbonylContact C-O 3.35Å; R201-K206 VanDerWaalsContact C-O 3.26Å; R201-K206 PolarHBondContact O-N 3.23Å; R201-K206 VanDerWaalsContact O-O 3.04Å; R201-A208 HydrophobicContact CB-CB 4.14Å; R201-A208 HydrophobicContact CG-CB 4.22Å
202	H	92.6	Very high	94.9	Very high	146 Å²	146	83.5 Å²	83.5	68%	0.676	39%	0.394	S	S	*	.	H	α-helix	trans	-60.6	-43.1	175.6	-175	-93.5	0	0	0	112	I198 E199 Q204 K205	I198-H202 WeakPolarHBondContact O-CB 3.34Å; I198-H202 PolarHBondContact O-N 2.93Å; E199-H202 PolarHBondContact O-N 2.97Å; H202-Q204 PolarHBondContact O-N 3.2Å; H202-K205 WeakPolarHBondContact O-CA 2.91Å; H202-K205 PolarHBondContact O-N 3.19Å
203	K	93	Very high	94.4	Very high	170 Å²	170	85.1 Å²	85.1	74%	0.739	41%	0.405	S	S	*	.	H	α-helix	trans	-59	-33.2	173.8	-71.7	174.4	-176.8	176.4	0	112.5	E199 S200 R201 K205	E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.47Å; S200-K203 PolarHBondContact O-N 3.4Å; R201-K203 VanDerWaalsContact C-N 3.35Å; R201-K203 PolarHBondContact O-N 3.11Å; K203-K205 PolarHBondContact O-N 2.99Å
204	Q	94.4	Very high	93.9	Very high	98 Å²	98	88.1 Å²	88.1	46%	0.458	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	6.5	174.8	-64.5	178.7	-15.6	0	0	113.8	S200 R201 H202 K206	S200-Q204 WeakPolarHBondContact O-CG 3.41Å; S200-Q204 PolarHBondContact O-N 3.01Å; R201-Q204 CarbonylContact O-C 3.58Å; R201-Q204 WeakPolarHBondContact O-CA 3.29Å; R201-Q204 WeakPolarHBondContact O-CB 3.46Å; R201-Q204 PolarHBondContact O-N 2.99Å; R201-Q204 VanDerWaalsContact O-N 3.08Å; H202-Q204 PolarHBondContact O-N 3.2Å; Q204-K206 HydrophobicContact CB-CD 4.36Å; Q204-K206 HydrophobicContact CB-CG 4.38Å; Q204-K206 PolarHBondContact O-N 3.17Å
205	K	93.3	Very high	93.6	Very high	204 Å²	204	89.8 Å²	89.8	89%	0.887	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	31.2	-172.8	-56.2	-178.1	-179.5	-180	0	113.2	R201 H202 K203	R201-K205 PolarHBondContact O-N 2.94Å; H202-K205 WeakPolarHBondContact O-CA 2.91Å; H202-K205 PolarHBondContact O-N 3.19Å; K203-K205 PolarHBondContact O-N 2.99Å
206	K	94.3	Very high	93.3	Very high	132 Å²	132	93.6 Å²	93.6	57%	0.574	48%	0.478	S	S	*	.			trans	-115.2	152.8	179.8	-70.1	178.2	-176.6	-179.2	0	110.8	R201 Q204	R201-K206 CarbonylContact C-O 3.35Å; R201-K206 VanDerWaalsContact C-O 3.26Å; R201-K206 PolarHBondContact O-N 3.23Å; R201-K206 VanDerWaalsContact O-O 3.04Å; Q204-K206 HydrophobicContact CB-CD 4.36Å; Q204-K206 HydrophobicContact CB-CG 4.38Å; Q204-K206 PolarHBondContact O-N 3.17Å
207	K	93.2	Very high	93.2	Very high	147 Å²	147	93.6 Å²	93.6	64%	0.639	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-77.7	137.6	172.2	-62.8	-179.5	-179.6	-179.4	0	110.1	N219	K207-N219 HydrophobicContact CD-CB 4.2Å
208	A	94.9	Very high	93	Very high	4 Å²	4	94.2 Å²	94.2	3%	0.033	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-78.4	128.3	173.5	0	0	0	0	0	109.9	I198 R201 T218 N219 V220	I198-A208 HydrophobicContact CB-CB 4.45Å; I198-A208 HydrophobicContact CG1-CB 4.06Å; R201-A208 HydrophobicContact CB-CB 4.14Å; R201-A208 HydrophobicContact CG-CB 4.22Å; A208-T218 CarbonylContact O-C 3.52Å; A208-T218 VanDerWaalsContact O-O 3.06Å; A208-N219 CarbonylContact O-C 3.57Å; A208-N219 WeakPolarHBondContact O-CA 3.44Å; A208-N219 PolarHBondContact O-N 3.41Å; A208-V220 HydrophobicContact CB-CB 4.42Å; A208-V220 PolarHBondContact O-N 3.13Å
209	R	94.4	Very high	92.9	Very high	172 Å²	172	96.1 Å²	96.1	65%	0.649	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-90.6	153	173.9	-60.2	-170.6	174.1	-136.9	0.3	109.9	P211 T218	R209-P211 VanDerWaalsContact O-CD 3.29Å; R209-P211 WeakPolarHBondContact O-CD 3.33Å; R209-T218 HydrophobicContact CG-CG2 4.34Å
210	C	95.8	Very high	92.9	Very high	12 Å²	12	92.4 Å²	92.4	8%	0.081	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-54.5	121.7	171.4	177.7	0	0	0	0	110.4	Y189 K212 C215 H217 V220	Y189-C210 PolarHBondContact OH-SG 2.92Å; C210-K212 VanDerWaalsContact C-N 3.26Å; C210-K212 PolarHBondContact O-N 3.32Å; C210-C215 HydrophobicContact CB-CB 3.88Å; C210-C215 WeakPolarHBondContact SG-CB 3.5Å; C210-C215 PolarHBondContact SG-SG 3.23Å; C210-H217 HydrophobicContact CB-CB 4.14Å; C210-H217 WeakPolarHBondContact CB-O 3.48Å; C210-H217 PolarHBondContact N-O 3.19Å; C210-V220 HydrophobicContact CB-CG2 4.18Å
211	P	93.3	Very high	92.8	Very high	38 Å²	38	96.6 Å²	96.6	25%	0.247	48%	0.475	C	S	.	.	S	Bend	trans	-69.2	-20.1	-179.7	-25.6	37.2	0	0	0	114.5	I171 Y189 I194 I197 R209 I213	I171-P211 HydrophobicContact CD1-CB 4.3Å; I171-P211 HydrophobicContact CD1-CG 4Å; I171-P211 HydrophobicContact CG1-CB 3.78Å; I171-P211 HydrophobicContact CG1-CG 4.03Å; Y189-P211 HydrophobicContact CE1-CB 4.07Å; Y189-P211 HydrophobicContact CE1-CG 4.06Å; I194-P211 HydrophobicContact CD1-CG 3.67Å; I197-P211 HydrophobicContact CD1-CB 4.48Å; I197-P211 HydrophobicContact CD1-CG 3.85Å; R209-P211 VanDerWaalsContact O-CD 3.29Å; R209-P211 WeakPolarHBondContact O-CD 3.33Å; P211-I213 PolarHBondContact O-N 3.42Å
212	K	89.9	Confident	92.8	Very high	93 Å²	93	96 Å²	96	40%	0.404	48%	0.475	S	S	.	.	S	Bend	trans	-62.3	121.7	174.8	-169.5	80.4	170.6	-178.2	0	110.2	P170 H187 C210 G214 C215	P170-K212 HydrophobicContact CB-CD 4.38Å; H187-K212 HydrophobicContact CB-CB 4.43Å; C210-K212 VanDerWaalsContact C-N 3.26Å; C210-K212 PolarHBondContact O-N 3.32Å; K212-G214 PolarHBondContact O-N 3.49Å; K212-C215 HydrophobicContact CB-CB 4.3Å; K212-C215 VanDerWaalsContact O-CB 3.28Å; K212-C215 WeakPolarHBondContact O-CB 3.46Å; K212-C215 PolarHBondContact O-N 2.92Å; K212-C215 VanDerWaalsContact O-N 3.15Å
213	I	86.4	Confident	93	Very high	168 Å²	168	92.4 Å²	92.4	86%	0.862	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	134	177.1	-59.4	171	0	0	0	109.6	P211 C215	P211-I213 PolarHBondContact O-N 3.42Å; I213-C215 VanDerWaalsContact C-N 3.28Å; I213-C215 PolarHBondContact O-N 3Å
214	G	86.7	Confident	93	Very high	84 Å²	84	85.3 Å²	85.3	87%	0.866	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-5.1	179.1	0	0	0	0	0	115.3	K212	K212-G214 PolarHBondContact O-N 3.49Å
215	C	91.2	Very high	93.1	Very high	34 Å²	34	82 Å²	82	23%	0.23	42%	0.422	C	S	.	.			trans	-76.5	130.9	176.7	-173.6	0	0	0	0	111.8	H187 C210 K212 I213 H217	H187-C215 VanDerWaalsContact CE1-SG 3.58Å; C210-C215 HydrophobicContact CB-CB 3.88Å; C210-C215 WeakPolarHBondContact SG-CB 3.5Å; C210-C215 PolarHBondContact SG-SG 3.23Å; K212-C215 HydrophobicContact CB-CB 4.3Å; K212-C215 VanDerWaalsContact O-CB 3.28Å; K212-C215 WeakPolarHBondContact O-CB 3.46Å; K212-C215 PolarHBondContact O-N 2.92Å; K212-C215 VanDerWaalsContact O-N 3.15Å; I213-C215 VanDerWaalsContact C-N 3.28Å; I213-C215 PolarHBondContact O-N 3Å; C215-H217 VanDerWaalsContact C-N 3.29Å; C215-H217 PolarHBondContact O-N 3.38Å; C215-H217 PolarHBondContact SG-N 3.02Å
216	S	92	Very high	93.1	Very high	112 Å²	112	76.3 Å²	76.3	78%	0.783	40%	0.4	S	S	*	.			trans	-79.9	-6.7	178.9	58.9	0	0	0	0	114	T218	S216-T218 WeakPolarHBondContact O-CG2 3.33Å; S216-T218 PolarHBondContact O-N 3.46Å
217	H	93.3	Very high	93.1	Very high	34 Å²	34	74.1 Å²	74.1	16%	0.157	39%	0.392	C	S	.	.			trans	-75.5	108.8	-177.5	-175	63.7	0	0	0	111.7	C185 C210 C215 N219	C185-H217 HydrophobicContact CB-CB 3.9Å; C210-H217 HydrophobicContact CB-CB 4.14Å; C210-H217 WeakPolarHBondContact CB-O 3.48Å; C210-H217 PolarHBondContact N-O 3.19Å; C215-H217 VanDerWaalsContact C-N 3.29Å; C215-H217 PolarHBondContact O-N 3.38Å; C215-H217 PolarHBondContact SG-N 3.02Å; H217-N219 PolarHBondContact CE1-O 2.94Å; H217-N219 PolarHBondContact NE2-O 3Å
218	T	93	Very high	93	Very high	64 Å²	64	68.5 Å²	68.5	39%	0.393	37%	0.369	S	S	.	.			trans	-101.6	1.2	-170	55.1	0	0	0	0	115.4	A208 R209 S216	A208-T218 CarbonylContact O-C 3.52Å; A208-T218 VanDerWaalsContact O-O 3.06Å; R209-T218 HydrophobicContact CG-CG2 4.34Å; S216-T218 WeakPolarHBondContact O-CG2 3.33Å; S216-T218 PolarHBondContact O-N 3.46Å
219	N	93.9	Very high	92.5	Very high	58 Å²	58	72 Å²	72	31%	0.31	39%	0.385	S	S	.	.			trans	-139.8	71.1	-174.9	-172.8	41.9	0	0	0	112.1	K207 A208 H217	K207-N219 HydrophobicContact CD-CB 4.2Å; A208-N219 CarbonylContact O-C 3.57Å; A208-N219 WeakPolarHBondContact O-CA 3.44Å; A208-N219 PolarHBondContact O-N 3.41Å; H217-N219 PolarHBondContact CE1-O 2.94Å; H217-N219 PolarHBondContact NE2-O 3Å
220	V	95.2	Very high	91.8	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.018	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-75.4	127.1	174	179.1	0	0	0	0	109.7	I194 I198 A208 C210 L225	I194-V220 HydrophobicContact CD1-CG1 4.33Å; I194-V220 HydrophobicContact CG1-CG1 4.45Å; I198-V220 HydrophobicContact CD1-CG1 3.75Å; I198-V220 HydrophobicContact CG1-CG1 4.06Å; A208-V220 HydrophobicContact CB-CB 4.42Å; A208-V220 PolarHBondContact O-N 3.13Å; C210-V220 HydrophobicContact CB-CG2 4.18Å; V220-L225 HydrophobicContact CG1-CD2 4.41Å
221	R	94.4	Very high	91.3	Very high	146 Å²	146	66.3 Å²	66.3	55%	0.551	37%	0.372	S	S	*	.			trans	-119.2	156.4	173.6	-47.4	177.2	82	-162.8	4.4	110.3	S223 D224	R221-S223 PolarHBondContact O-N 3.36Å; R221-D224 VanDerWaalsContact CB-OD2 3.29Å; R221-D224 WeakPolarHBondContact CB-OD2 3.29Å; R221-D224 WeakPolarHBondContact CG-OD2 3.37Å; R221-D224 PolarHBondContact N-OD2 3.31Å; R221-D224 VanDerWaalsContact N-OD2 3.14Å; R221-D224 WeakPolarHBondContact O-CB 3.49Å; R221-D224 PolarHBondContact O-N 3.37Å
222	K	94.6	Very high	91	Very high	97 Å²	97	67.8 Å²	67.8	42%	0.422	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-57.6	-36.9	175.6	-64.6	-166.5	-175.7	-166.4	0	112.4	I198 E199 D224 L225	I198-K222 HydrophobicContact CD1-CG 4.19Å; I198-K222 HydrophobicContact CG2-CG 4.05Å; E199-K222 WeakPolarHBondContact OE1-CE 3.41Å; E199-K222 IonicContact OE1-NZ 3.73Å; E199-K222 PolarHBondContact OE1-NZ 3.4Å; K222-D224 PolarHBondContact O-N 3.48Å; K222-D224 VanDerWaalsContact O-N 3.14Å; K222-L225 WeakPolarHBondContact O-CB 3.41Å; K222-L225 PolarHBondContact O-N 2.94Å; K222-L225 VanDerWaalsContact O-N 3.11Å
223	S	95.9	Very high	90.6	Very high	71 Å²	71	67.9 Å²	67.9	50%	0.497	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-64.4	-13.1	176.8	57.2	0	0	0	0	114.7	K183 R221	K183-S223 PolarHBondContact NZ-O 3.3Å; R221-S223 PolarHBondContact O-N 3.36Å
224	D	93.5	Very high	90.3	Very high	21 Å²	21	61.3 Å²	61.3	11%	0.112	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-94.9	-9.7	179.3	-52.7	-33.4	0	0	0	111.7	N182 K183 V184 R221 K222	N182-D224 CarbonylContact C-O 3.51Å; N182-D224 WeakPolarHBondContact CA-O 3.37Å; K183-D224 HydrophobicContact CG-CB 4.42Å; K183-D224 WeakPolarHBondContact CG-O 3.4Å; K183-D224 PolarHBondContact N-O 3.45Å; K183-D224 IonicContact NZ-OD1 3.91Å; V184-D224 HydrophobicContact CG2-CB 4.32Å; R221-D224 VanDerWaalsContact CB-OD2 3.29Å; R221-D224 WeakPolarHBondContact CB-OD2 3.29Å; R221-D224 WeakPolarHBondContact CG-OD2 3.37Å; R221-D224 PolarHBondContact N-OD2 3.31Å; R221-D224 VanDerWaalsContact N-OD2 3.14Å; R221-D224 WeakPolarHBondContact O-CB 3.49Å; R221-D224 PolarHBondContact O-N 3.37Å; K222-D224 PolarHBondContact O-N 3.48Å; K222-D224 VanDerWaalsContact O-N 3.14Å
225	L	96.1	Very high	90.2	Very high	27 Å²	27	57.6 Å²	57.6	14%	0.141	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.8	176.8	-55.5	178.8	0	0	0	109.2	V180 K181 N182 I194 V195 I198 V220 K222	V180-L225 HydrophobicContact CB-CB 4.34Å; V180-L225 HydrophobicContact CG2-CB 4.45Å; V180-L225 HydrophobicContact CG2-CD1 4.26Å; V180-L225 HydrophobicContact CG2-CD2 4.42Å; K181-L225 WeakPolarHBondContact O-CA 3.37Å; N182-L225 HydrophobicContact CB-CD2 4.13Å; I194-L225 HydrophobicContact CG1-CD1 4.12Å; I194-L225 HydrophobicContact CG1-CD2 4.25Å; I194-L225 HydrophobicContact CG2-CD1 3.59Å; I194-L225 HydrophobicContact CG2-CD2 4.45Å; V195-L225 HydrophobicContact CG2-CD1 4.31Å; I198-L225 HydrophobicContact CD1-CD1 3.84Å; V220-L225 HydrophobicContact CG1-CD2 4.41Å; K222-L225 WeakPolarHBondContact O-CB 3.41Å; K222-L225 PolarHBondContact O-N 2.94Å; K222-L225 VanDerWaalsContact O-N 3.11Å
226	I	94	Very high	89.8	Confident	85 Å²	85	59.7 Å²	59.7	44%	0.436	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.6	173.4	57	170.6	0	0	0	108.3	V180 K181 K183 D228	V180-I226 CarbonylContact C-O 3.46Å; V180-I226 WeakPolarHBondContact CA-O 3.39Å; K181-I226 HydrophobicContact CB-CG1 4.13Å; K181-I226 PolarHBondContact N-O 2.92Å; K181-I226 VanDerWaalsContact O-CG1 3.26Å; K181-I226 WeakPolarHBondContact O-CG1 3.34Å; K181-I226 PolarHBondContact O-N 3.34Å; K183-I226 HydrophobicContact CB-CD1 4.4Å; I226-D228 PolarHBondContact O-N 3.22Å
227	Q	92.8	Very high	89	Confident	87 Å²	87	56 Å²	56	41%	0.407	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	130.8	174.9	-71.4	-67.7	-2.3	0	0	109.8	P179 E191 E229	P179-Q227 PolarHBondContact O-OE1 3.28Å; E191-Q227 PolarHBondContact OE1-NE2 2.95Å; E191-Q227 PolarHBondContact OE2-NE2 2.98Å; E191-Q227 VanDerWaalsContact OE2-NE2 3.11Å; Q227-E229 HydrophobicContact CB-CG 4.46Å; Q227-E229 PolarHBondContact O-N 3.43Å
228	D	90.9	Very high	88.2	Confident	29 Å²	29	58 Å²	58	16%	0.155	29%	0.289	C	S	.	.			trans	-95.7	71	177.2	-161.4	-24.8	0	0	0	109.1	P179 K181 T188 I226 A230 L231 R232	P179-D228 HydrophobicContact CB-CB 4.22Å; P179-D228 HydrophobicContact CG-CB 4.45Å; P179-D228 WeakPolarHBondContact O-CB 3.31Å; P179-D228 PolarHBondContact O-N 3.33Å; K181-D228 HydrophobicContact CB-CB 4.19Å; T188-D228 HydrophobicContact CG2-CB 4.15Å; T188-D228 PolarHBondContact OG1-OD2 3.41Å; I226-D228 PolarHBondContact O-N 3.22Å; D228-A230 PolarHBondContact O-N 2.93Å; D228-L231 HydrophobicContact CB-CB 4.07Å; D228-L231 VanDerWaalsContact CG-CB 3.44Å; D228-L231 PolarHBondContact O-N 2.89Å; D228-L231 VanDerWaalsContact O-N 3.12Å; D228-L231 WeakPolarHBondContact OD1-CB 3.44Å; D228-L231 PolarHBondContact OD1-N 3.5Å; D228-R232 PolarHBondContact O-N 3.34Å
229	E	86.1	Confident	87.5	Confident	76 Å²	76	57.2 Å²	57.2	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-32.6	-177.4	-70.5	-63.2	152	0	0	112.5	Q227 R232 R233	Q227-E229 HydrophobicContact CB-CG 4.46Å; Q227-E229 PolarHBondContact O-N 3.43Å; E229-R232 IonicContact OE1-NE 3.58Å; E229-R232 IonicContact OE2-CZ 2.7Å; E229-R232 VanDerWaalsContact OE2-CZ 3.24Å; E229-R232 IonicContact OE2-NE 3.84Å; E229-R232 PolarHBondContact OE2-NE 3.43Å; E229-R232 IonicContact OE2-NH2 2.72Å; E229-R232 PolarHBondContact OE2-NH2 3.26Å; E229-R233 WeakPolarHBondContact O-CB 3.44Å; E229-R233 VanDerWaalsContact O-CG 3.27Å; E229-R233 WeakPolarHBondContact O-CG 3.36Å; E229-R233 PolarHBondContact O-N 3.26Å
230	A	79.7	Confident	86.5	Confident	43 Å²	43	60.2 Å²	60.2	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-65.2	-48.8	175.4	0	0	0	0	0	110.9	D228 R233 A234	D228-A230 PolarHBondContact O-N 2.93Å; A230-R233 PolarHBondContact O-N 2.94Å; A230-A234 PolarHBondContact O-N 3.35Å
231	L	84.8	Confident	85.2	Confident	23 Å²	23	66.4 Å²	66.4	12%	0.12	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-38.6	177.1	-170.8	60.9	0	0	0	112.2	F167 M176 P179 T188 D228 R233 A234 I235	F167-L231 HydrophobicContact CD1-CD1 3.86Å; F167-L231 HydrophobicContact CE1-CD1 4.01Å; M176-L231 HydrophobicContact CE-CD2 3.64Å; M176-L231 HydrophobicContact SD-CD2 4.33Å; P179-L231 HydrophobicContact CB-CB 4.26Å; P179-L231 HydrophobicContact CB-CD2 3.84Å; P179-L231 HydrophobicContact CB-CG 4.17Å; P179-L231 HydrophobicContact CG-CB 4.11Å; P179-L231 HydrophobicContact CG-CD2 4.47Å; P179-L231 HydrophobicContact CG-CG 4.27Å; T188-L231 HydrophobicContact CG2-CD2 3.51Å; D228-L231 HydrophobicContact CB-CB 4.07Å; D228-L231 VanDerWaalsContact CG-CB 3.44Å; D228-L231 PolarHBondContact O-N 2.89Å; D228-L231 VanDerWaalsContact O-N 3.12Å; D228-L231 WeakPolarHBondContact OD1-CB 3.44Å; D228-L231 PolarHBondContact OD1-N 3.5Å; L231-R233 VanDerWaalsContact C-N 3.33Å; L231-R233 PolarHBondContact O-N 3.35Å; L231-A234 PolarHBondContact O-N 3.44Å; L231-I235 HydrophobicContact CG-CD1 4.06Å; L231-I235 HydrophobicContact CG-CG1 4.46Å; L231-I235 VanDerWaalsContact O-CG1 3.28Å; L231-I235 WeakPolarHBondContact O-CG1 3.47Å; L231-I235 PolarHBondContact O-N 2.72Å
232	R	87.1	Confident	83.9	Confident	69 Å²	69	62.8 Å²	62.8	26%	0.26	31%	0.307	S	S	.	.	H	α-helix	trans	-57.2	-47.7	176.1	-172.3	-178.2	65.6	80.1	-0.6	111.1	P179 D228 E229 I235 E236	P179-R232 HydrophobicContact CG-CB 3.72Å; P179-R232 HydrophobicContact CG-CG 4.49Å; D228-R232 PolarHBondContact O-N 3.34Å; E229-R232 IonicContact OE1-NE 3.58Å; E229-R232 IonicContact OE2-CZ 2.7Å; E229-R232 VanDerWaalsContact OE2-CZ 3.24Å; E229-R232 IonicContact OE2-NE 3.84Å; E229-R232 PolarHBondContact OE2-NE 3.43Å; E229-R232 IonicContact OE2-NH2 2.72Å; E229-R232 PolarHBondContact OE2-NH2 3.26Å; R232-I235 PolarHBondContact O-N 3.47Å; R232-E236 IonicContact CZ-OE1 2.61Å; R232-E236 VanDerWaalsContact NH1-CD 3.27Å; R232-E236 IonicContact NH1-OE1 3.39Å; R232-E236 PolarHBondContact NH1-OE1 3.39Å; R232-E236 IonicContact NH1-OE2 2.72Å; R232-E236 PolarHBondContact NH1-OE2 3.22Å; R232-E236 WeakPolarHBondContact O-CG 3.46Å; R232-E236 PolarHBondContact O-N 3.14Å
233	R	82.1	Confident	82.2	Confident	94 Å²	94	64.2 Å²	64.2	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-63.2	-41.2	176.5	-71.5	176.1	-165.4	179.6	5.9	112	S51 E229 A230 L231 I235 E236 N237	S51-R233 PolarHBondContact O-NH1 3.07Å; E229-R233 WeakPolarHBondContact O-CB 3.44Å; E229-R233 VanDerWaalsContact O-CG 3.27Å; E229-R233 WeakPolarHBondContact O-CG 3.36Å; E229-R233 PolarHBondContact O-N 3.26Å; A230-R233 PolarHBondContact O-N 2.94Å; L231-R233 VanDerWaalsContact C-N 3.33Å; L231-R233 PolarHBondContact O-N 3.35Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 2.99Å; R233-E236 PolarHBondContact O-N 3.36Å; R233-N237 WeakPolarHBondContact O-CB 3.49Å; R233-N237 PolarHBondContact O-N 2.87Å; R233-N237 PolarHBondContact O-ND2 3.02Å
234	A	79.9	Confident	80.1	Confident	30 Å²	30	68.9 Å²	68.9	25%	0.248	33%	0.328	C	S	.	.	H	α-helix	trans	-60.7	-42.1	177.8	0	0	0	0	0	112.5	F167 A230 L231 N237 H238	F167-A234 HydrophobicContact CE1-CB 3.93Å; F167-A234 HydrophobicContact CZ-CB 4.33Å; A230-A234 PolarHBondContact O-N 3.35Å; L231-A234 PolarHBondContact O-N 3.44Å; A234-N237 PolarHBondContact O-N 3.15Å; A234-H238 PolarHBondContact O-N 3.49Å
235	I	83.6	Confident	78	Confident	6 Å²	6	72.6 Å²	72.6	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-64	-49.3	175.6	-69.9	175	0	0	0	111.1	F167 E175 M176 P179 L231 R232 R233 N237 H238 N239	F167-I235 HydrophobicContact CB-CD1 4.25Å; F167-I235 HydrophobicContact CB-CG1 3.92Å; F167-I235 HydrophobicContact CD1-CD1 4.22Å; F167-I235 HydrophobicContact CD1-CG1 3.4Å; F167-I235 VanDerWaalsContact CD1-CG1 3.4Å; F167-I235 HydrophobicContact CE1-CG1 4.03Å; F167-I235 HydrophobicContact CG-CG1 3.74Å; E175-I235 HydrophobicContact CG-CG2 4.1Å; E175-I235 VanDerWaalsContact OE1-CG2 3.24Å; E175-I235 WeakPolarHBondContact OE1-CG2 3.46Å; M176-I235 HydrophobicContact CB-CD1 3.72Å; M176-I235 WeakPolarHBondContact O-CD1 3.49Å; M176-I235 VanDerWaalsContact O-CG2 3.28Å; M176-I235 WeakPolarHBondContact O-CG2 3.49Å; P179-I235 HydrophobicContact CG-CD1 4.37Å; L231-I235 HydrophobicContact CG-CD1 4.06Å; L231-I235 HydrophobicContact CG-CG1 4.46Å; L231-I235 VanDerWaalsContact O-CG1 3.28Å; L231-I235 WeakPolarHBondContact O-CG1 3.47Å; L231-I235 PolarHBondContact O-N 2.72Å; R232-I235 PolarHBondContact O-N 3.47Å; R233-I235 VanDerWaalsContact C-N 3.34Å; R233-I235 PolarHBondContact O-N 2.99Å; I235-N237 VanDerWaalsContact C-N 3.26Å; I235-N237 PolarHBondContact O-N 3.21Å; I235-H238 PolarHBondContact O-N 3.35Å; I235-N239 PolarHBondContact O-N 2.93Å; I235-N239 PolarHBondContact O-ND2 2.81Å; I235-N239 VanDerWaalsContact O-ND2 3.15Å
236	E	83.1	Confident	75.3	Confident	78 Å²	78	81.1 Å²	81.1	36%	0.364	40%	0.395	S	S	.	.	H	α-helix	trans	-59.2	-38.9	178.4	-74.6	171.2	-172.2	0	0	112	R232 R233 K240	R232-E236 IonicContact CZ-OE1 2.61Å; R232-E236 VanDerWaalsContact NH1-CD 3.27Å; R232-E236 IonicContact NH1-OE1 3.39Å; R232-E236 PolarHBondContact NH1-OE1 3.39Å; R232-E236 IonicContact NH1-OE2 2.72Å; R232-E236 PolarHBondContact NH1-OE2 3.22Å; R232-E236 WeakPolarHBondContact O-CG 3.46Å; R232-E236 PolarHBondContact O-N 3.14Å; R233-E236 PolarHBondContact O-N 3.36Å; E236-K240 WeakPolarHBondContact O-CG 3.44Å; E236-K240 PolarHBondContact O-N 3.26Å
237	N	75	Confident	74.4	Confident	35 Å²	35	80.9 Å²	80.9	19%	0.187	39%	0.393	C	S	.	.	H	α-helix	trans	-68.8	-40.5	176.8	-69.3	-14	0	0	0	112	R233 A234 I235 N239 K240 R241	R233-N237 WeakPolarHBondContact O-CB 3.49Å; R233-N237 PolarHBondContact O-N 2.87Å; R233-N237 PolarHBondContact O-ND2 3.02Å; A234-N237 PolarHBondContact O-N 3.15Å; I235-N237 VanDerWaalsContact C-N 3.26Å; I235-N237 PolarHBondContact O-N 3.21Å; N237-N239 PolarHBondContact O-N 2.86Å; N237-K240 PolarHBondContact O-N 2.97Å; N237-R241 WeakPolarHBondContact O-CG 3.33Å; N237-R241 PolarHBondContact O-N 2.82Å
238	H	76.2	Confident	73.4	Confident	75 Å²	75	80.6 Å²	80.6	35%	0.347	39%	0.392	S	S	.	.	H	α-helix	trans	-59.2	-46	175.5	-177.5	64.5	0	0	0	111.9	F167 A234 I235 K240 R241 I242	F167-H238 HydrophobicContact CD2-CB 4.3Å; F167-H238 AromaticContact CD2-CD2 3.92Å; F167-H238 HydrophobicContact CE2-CB 3.65Å; F167-H238 AromaticContact CE2-CD2 3.92Å; F167-H238 AromaticContact CE2-CG 3.63Å; F167-H238 HydrophobicContact CZ-CB 4.28Å; A234-H238 PolarHBondContact O-N 3.49Å; I235-H238 PolarHBondContact O-N 3.35Å; H238-K240 PolarHBondContact O-N 3.46Å; H238-R241 WeakPolarHBondContact O-CB 3.29Å; H238-R241 PolarHBondContact O-N 3.38Å; H238-R241 VanDerWaalsContact O-N 3.15Å; H238-I242 PolarHBondContact O-N 3Å
239	N	77.9	Confident	72.4	Confident	48 Å²	48	83.4 Å²	83.4	26%	0.257	41%	0.405	S	S	.	.	H	α-helix	trans	-64.6	-37.4	179.7	-72.5	-41.4	0	0	0	113.1	E175 I235 N237 R241 I242 H243	E175-N239 PolarHBondContact OE1-ND2 2.72Å; E175-N239 PolarHBondContact OE1-OD1 3.25Å; E175-N239 PolarHBondContact OE2-OD1 2.99Å; I235-N239 PolarHBondContact O-N 2.93Å; I235-N239 PolarHBondContact O-ND2 2.81Å; I235-N239 VanDerWaalsContact O-ND2 3.15Å; N237-N239 PolarHBondContact O-N 2.86Å; N239-R241 VanDerWaalsContact C-N 3.29Å; N239-R241 PolarHBondContact O-N 3.34Å; N239-I242 PolarHBondContact O-N 2.96Å; N239-H243 PolarHBondContact O-CD2 3.31Å; N239-H243 PolarHBondContact O-N 3.47Å
240	K	74.6	Confident	71.6	Confident	121 Å²	121	83.9 Å²	83.9	53%	0.526	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-36.4	173.7	-73.5	172.5	-173.9	172	0	112.6	E236 N237 H238 H244	E236-K240 WeakPolarHBondContact O-CG 3.44Å; E236-K240 PolarHBondContact O-N 3.26Å; N237-K240 PolarHBondContact O-N 2.97Å; H238-K240 PolarHBondContact O-N 3.46Å; K240-H244 PolarHBondContact O-N 3.01Å
241	R	66.8	Low	71.1	Confident	134 Å²	134	86.4 Å²	86.4	51%	0.506	41%	0.411	S	S	.	.	H	α-helix	trans	-68.7	-42.7	179.1	-65.8	177.7	-167.6	174.5	10	112	E54 N237 H238 N239 H243 H244 S245	E54-R241 IonicContact OE1-CZ 3.18Å; E54-R241 IonicContact OE1-NH2 2.65Å; E54-R241 PolarHBondContact OE1-NH2 3.48Å; E54-R241 IonicContact OE2-CZ 2.63Å; E54-R241 IonicContact OE2-NE 3.68Å; E54-R241 PolarHBondContact OE2-NE 2.87Å; E54-R241 IonicContact OE2-NH2 4Å; E54-R241 PolarHBondContact OE2-NH2 2.87Å; N237-R241 WeakPolarHBondContact O-CG 3.33Å; N237-R241 PolarHBondContact O-N 2.82Å; H238-R241 WeakPolarHBondContact O-CB 3.29Å; H238-R241 PolarHBondContact O-N 3.38Å; H238-R241 VanDerWaalsContact O-N 3.15Å; N239-R241 VanDerWaalsContact C-N 3.29Å; N239-R241 PolarHBondContact O-N 3.34Å; R241-H243 VanDerWaalsContact C-N 3.3Å; R241-H243 PolarHBondContact O-N 3.16Å; R241-H244 PolarHBondContact O-N 3.28Å; R241-S245 PolarHBondContact O-N 2.88Å; R241-S245 PolarHBondContact O-OG 2.97Å
242	I	67.7	Low	70.2	Confident	70 Å²	70	90.7 Å²	90.7	36%	0.359	43%	0.431	S	S	.	.	H	α-helix	trans	-59.7	-44.5	177.9	-65.5	173	0	0	0	110.2	H238 N239 H244 S245	H238-I242 PolarHBondContact O-N 3Å; N239-I242 PolarHBondContact O-N 2.96Å; I242-H244 VanDerWaalsContact C-N 3.28Å; I242-H244 PolarHBondContact O-N 2.89Å; I242-S245 PolarHBondContact O-N 2.97Å; I242-S245 PolarHBondContact O-OG 3.14Å
243	H	59	Low	69	Low	126 Å²	126	92.2 Å²	92.2	58%	0.583	44%	0.443	S	S	*	.	H	α-helix	trans	-71.8	-12.6	179.8	-69.7	-48.6	0	0	0	115.5	N239 R241	N239-H243 PolarHBondContact O-CD2 3.31Å; N239-H243 PolarHBondContact O-N 3.47Å; R241-H243 VanDerWaalsContact C-N 3.3Å; R241-H243 PolarHBondContact O-N 3.16Å
244	H	50.9	Low	68	Low	169 Å²	169	92.1 Å²	92.1	78%	0.782	45%	0.45	S	S	*	.	H	α-helix	trans	-95.4	-7.7	173.2	-76.6	-24.7	0	0	0	113.4	K240 R241 I242	K240-H244 PolarHBondContact O-N 3.01Å; R241-H244 PolarHBondContact O-N 3.28Å; I242-H244 VanDerWaalsContact C-N 3.28Å; I242-H244 PolarHBondContact O-N 2.89Å
245	S	49.6	Very low	67	Low	99 Å²	99	97.3 Å²	97.3	69%	0.692	47%	0.466	S	S	*	.			trans	-100.5	-0.1	176.7	51	0	0	0	0	114.4	R241 I242	R241-S245 PolarHBondContact O-N 2.88Å; R241-S245 PolarHBondContact O-OG 2.97Å; I242-S245 PolarHBondContact O-N 2.97Å; I242-S245 PolarHBondContact O-OG 3.14Å
246	E	39.8	Very low	65.5	Low	206 Å²	206	105.5 Å²	105.5	96%	0.963	51%	0.506	S	S	*	.			trans	-105.7	0	172.1	-68.2	-177.9	137.4	0	0	110.7

Retrieved 246 of 246 residues in 1683.5 ms (Link to these results)

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