A0A087WTZ8_HUMAN Loading...

NSE2 (MMS21) homolog, SMC5-SMC6 complex SUMO ligase

AlphaFold DB , UniProt , Accession A0A087WTZ8, Species HUMAN (Homo sapiens, Human), Gene NSMCE2, Length 157 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	52	Low	45.8	Very low	243 Å²	243	130.1 Å²	130.1	100%	1.197	80%	0.803	S	S	*	*				0	145.5	0	-67.9	-163.7	140.2	0	0	107.6
2	P	50.3	Low	46.2	Very low	134 Å²	134	127.9 Å²	127.9	87%	0.87	79%	0.789	S	S	*	*			cis	-119.8	-179.2	13.3	34.5	-14.7	0	0	0	111.6
3	G	42.1	Very low	47.1	Very low	69 Å²	69	121.2 Å²	121.2	71%	0.711	76%	0.761	S	S	*	*			cis	-160.1	146.9	6.5	0	0	0	0	0	109.4	S5	G3-S5 PolarHBondContact O-N 3.4Å
4	R	51.8	Low	48.5	Very low	240 Å²	240	125.9 Å²	125.9	91%	0.906	77%	0.765	S	S	*	*			trans	-76.5	106.9	175.5	-63	165.5	102.8	178.2	5.2	107.3	S6	R4-S6 VanDerWaalsContact C-N 3.26Å; R4-S6 PolarHBondContact O-N 3.38Å
5	S	43.2	Very low	50.2	Low	113 Å²	113	121.1 Å²	121.1	79%	0.79	73%	0.732	S	S	*	*			trans	-80.8	88.1	157.3	-62.7	0	0	0	0	106.6	G3 S7	G3-S5 PolarHBondContact O-N 3.4Å; S5-S7 PolarHBondContact O-N 3.47Å
6	S	44.7	Very low	52.3	Low	102 Å²	102	119.2 Å²	119.2	71%	0.713	73%	0.726	S	S	*	*			trans	-61.9	93.5	163.8	-58.9	0	0	0	0	107	R4 N8	R4-S6 VanDerWaalsContact C-N 3.26Å; R4-S6 PolarHBondContact O-N 3.38Å; S6-N8 PolarHBondContact O-N 3.08Å
7	S	45.6	Very low	54.5	Low	113 Å²	113	113.1 Å²	113.1	79%	0.79	69%	0.687	S	S	*	*			trans	-62.2	95	164.3	-53	0	0	0	0	106.2	S5 S9	S5-S7 PolarHBondContact O-N 3.47Å; S7-S9 VanDerWaalsContact C-N 3.31Å; S7-S9 PolarHBondContact O-N 2.94Å
8	N	42.7	Very low	56.3	Low	153 Å²	153	111 Å²	111	82%	0.818	68%	0.679	S	S	*	*			trans	-55	102.1	170.8	-167.1	62.6	0	0	0	105.9	S6 G10	S6-N8 PolarHBondContact O-N 3.08Å; N8-G10 PolarHBondContact O-N 3.47Å
9	S	44.2	Very low	57.9	Low	107 Å²	107	107.9 Å²	107.9	75%	0.748	67%	0.671	S	S	*	*			trans	-63	89.3	170.1	-178.9	0	0	0	0	105.6	S7 S11	S7-S9 VanDerWaalsContact C-N 3.31Å; S7-S9 PolarHBondContact O-N 2.94Å; S9-S11 PolarHBondContact O-N 3.28Å
10	G	42.5	Very low	59.3	Low	56 Å²	56	105.8 Å²	105.8	58%	0.577	66%	0.657	S	S	*	*			trans	-62.8	85.6	163.9	0	0	0	0	0	105.7	N8 T12	N8-G10 PolarHBondContact O-N 3.47Å; G10-T12 PolarHBondContact O-N 2.92Å
11	S	45.2	Very low	60.8	Low	101 Å²	101	104.6 Å²	104.6	71%	0.706	64%	0.644	S	S	*	*			trans	-62.6	86.1	163.8	-174.5	0	0	0	0	105.2	S9 G13	S9-S11 PolarHBondContact O-N 3.28Å; S11-G13 PolarHBondContact O-N 3.48Å
12	T	50.9	Low	62.5	Low	104 Å²	104	96.6 Å²	96.6	64%	0.638	61%	0.612	S	S	*	*			trans	-58.6	96.9	154.2	45.9	0	0	0	0	103.6	G10 F14	G10-T12 PolarHBondContact O-N 2.92Å; T12-F14 VanDerWaalsContact C-N 3.26Å; T12-F14 VanDerWaalsContact O-CD2 3.27Å; T12-F14 WeakPolarHBondContact O-CD2 3.39Å; T12-F14 PolarHBondContact O-N 2.92Å
13	G	57.7	Low	64.1	Low	41 Å²	41	93.1 Å²	93.1	42%	0.423	59%	0.594	S	S	.	*			trans	-62.6	92.7	-177.3	0	0	0	0	0	107.9	S11 I15	S11-G13 PolarHBondContact O-N 3.48Å; G13-I15 PolarHBondContact O-N 2.91Å; G13-I15 VanDerWaalsContact O-N 3.09Å
14	F	66.3	Low	66.2	Low	187 Å²	187	90.3 Å²	90.3	82%	0.82	56%	0.563	S	S	*	*			trans	-64.4	112.5	173.7	-81.2	-85.2	0	0	0	107.4	T12 S16	T12-F14 VanDerWaalsContact C-N 3.26Å; T12-F14 VanDerWaalsContact O-CD2 3.27Å; T12-F14 WeakPolarHBondContact O-CD2 3.39Å; T12-F14 PolarHBondContact O-N 2.92Å; F14-S16 PolarHBondContact O-N 3.29Å
15	I	74.7	Confident	67.9	Low	53 Å²	53	82 Å²	82	27%	0.272	54%	0.542	S	S	.	.			trans	-76.6	113.3	175.7	-55.1	169.1	0	0	0	107.3	G13 F17 V89 I97 L100	G13-I15 PolarHBondContact O-N 2.91Å; G13-I15 VanDerWaalsContact O-N 3.09Å; I15-F17 HydrophobicContact CB-CE2 4.05Å; I15-F17 HydrophobicContact CB-CZ 3.96Å; I15-F17 HydrophobicContact CG2-CD1 4.22Å; I15-F17 HydrophobicContact CG2-CD2 4.45Å; I15-F17 HydrophobicContact CG2-CE1 3.65Å; I15-F17 HydrophobicContact CG2-CE2 3.9Å; I15-F17 HydrophobicContact CG2-CZ 3.47Å; I15-F17 VanDerWaalsContact CG2-CZ 3.47Å; I15-F17 WeakPolarHBondContact O-CD2 3.38Å; I15-V89 HydrophobicContact CD1-CG1 3.77Å; I15-I97 HydrophobicContact CD1-CB 4.41Å; I15-I97 HydrophobicContact CD1-CG1 4.13Å; I15-I97 HydrophobicContact CD1-CG2 3.91Å; I15-I97 HydrophobicContact CG1-CD1 4.42Å; I15-I97 HydrophobicContact CG1-CG1 4.27Å; I15-L100 HydrophobicContact CG2-CD1 4.47Å
16	S	83.4	Confident	70	Confident	91 Å²	91	79.8 Å²	79.8	64%	0.636	53%	0.526	S	S	*	.			trans	-82.7	131.4	170.9	-177.1	0	0	0	0	110.3	F14 S18	F14-S16 PolarHBondContact O-N 3.29Å; S16-S18 PolarHBondContact OG-OG 3.01Å
17	F	88.6	Confident	71.8	Confident	15 Å²	15	77.5 Å²	77.5	7%	0.066	51%	0.506	C	S	.	.			trans	-108	-0.1	-179.2	-65.1	-75.2	0	0	0	113.9	I15 G19 V20 E21 I86 V89 K90 L100	I15-F17 HydrophobicContact CB-CE2 4.05Å; I15-F17 HydrophobicContact CB-CZ 3.96Å; I15-F17 HydrophobicContact CG2-CD1 4.22Å; I15-F17 HydrophobicContact CG2-CD2 4.45Å; I15-F17 HydrophobicContact CG2-CE1 3.65Å; I15-F17 HydrophobicContact CG2-CE2 3.9Å; I15-F17 HydrophobicContact CG2-CZ 3.47Å; I15-F17 VanDerWaalsContact CG2-CZ 3.47Å; I15-F17 WeakPolarHBondContact O-CD2 3.38Å; F17-G19 VanDerWaalsContact C-N 3.31Å; F17-G19 PolarHBondContact O-N 3.43Å; F17-V20 WeakPolarHBondContact O-CA 3.33Å; F17-V20 WeakPolarHBondContact O-CB 3.46Å; F17-V20 PolarHBondContact O-N 3.03Å; F17-E21 HydrophobicContact CB-CG 4.45Å; F17-E21 WeakPolarHBondContact O-CG 3.41Å; F17-E21 PolarHBondContact O-N 3.47Å; F17-I86 HydrophobicContact CB-CD1 4.39Å; F17-I86 HydrophobicContact CB-CG2 4.06Å; F17-I86 HydrophobicContact CD1-CB 4.31Å; F17-I86 HydrophobicContact CD1-CD1 4.21Å; F17-I86 HydrophobicContact CD1-CG1 3.65Å; F17-I86 HydrophobicContact CD1-CG2 4.03Å; F17-I86 HydrophobicContact CD2-CG2 3.94Å; F17-I86 HydrophobicContact CE1-CB 4.49Å; F17-I86 HydrophobicContact CE1-CG1 4.01Å; F17-I86 HydrophobicContact CE1-CG2 4.44Å; F17-I86 HydrophobicContact CE2-CG2 4.36Å; F17-I86 HydrophobicContact CG-CG1 4.18Å; F17-I86 HydrophobicContact CG-CG2 3.74Å; F17-V89 HydrophobicContact CE2-CG1 4.45Å; F17-V89 HydrophobicContact CZ-CB 4.04Å; F17-V89 HydrophobicContact CZ-CG1 3.82Å; F17-K90 HydrophobicContact CD2-CD 4.44Å; F17-K90 HydrophobicContact CD2-CG 4.12Å; F17-K90 HydrophobicContact CE2-CG 3.89Å; F17-L100 HydrophobicContact CE1-CD1 4.26Å
18	S	88.5	Confident	73.6	Confident	76 Å²	76	75.3 Å²	75.3	53%	0.531	48%	0.482	S	S	.	.	H	α-helix	trans	-58.7	-39.9	-173.4	56.5	0	0	0	0	113.1	S16 V20 E21 S22	S16-S18 PolarHBondContact OG-OG 3.01Å; S18-V20 VanDerWaalsContact C-N 3.34Å; S18-E21 PolarHBondContact O-N 2.92Å; S18-S22 WeakPolarHBondContact O-CB 3.29Å; S18-S22 PolarHBondContact O-N 2.95Å
19	G	85.7	Confident	75.6	Confident	52 Å²	52	73.6 Å²	73.6	54%	0.536	47%	0.473	S	S	.	.	H	α-helix	trans	-64.4	-38.3	174.8	0	0	0	0	0	112.8	F17 A23	F17-G19 VanDerWaalsContact C-N 3.31Å; F17-G19 PolarHBondContact O-N 3.43Å; G19-A23 WeakPolarHBondContact O-CB 3.47Å; G19-A23 PolarHBondContact O-N 3.18Å
20	V	87	Confident	77.3	Confident	65 Å²	65	74.3 Å²	74.3	39%	0.394	46%	0.463	S	S	.	.	H	α-helix	trans	-69.5	-44.5	176.9	-176.5	0	0	0	0	110.5	F17 S18 S22 A23 L24 V82 I86	F17-V20 WeakPolarHBondContact O-CA 3.33Å; F17-V20 WeakPolarHBondContact O-CB 3.46Å; F17-V20 PolarHBondContact O-N 3.03Å; S18-V20 VanDerWaalsContact C-N 3.34Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 3.32Å; V20-A23 PolarHBondContact O-N 3Å; V20-L24 VanDerWaalsContact O-CB 3.28Å; V20-L24 WeakPolarHBondContact O-CB 3.36Å; V20-L24 PolarHBondContact O-N 2.97Å; V20-V82 HydrophobicContact CG1-CG1 3.64Å; V20-I86 HydrophobicContact CB-CD1 4.32Å; V20-I86 HydrophobicContact CG1-CD1 3.83Å
21	E	89.3	Confident	79.4	Confident	81 Å²	81	74.2 Å²	74.2	38%	0.379	45%	0.447	S	S	.	.	H	α-helix	trans	-63	-38	177.7	-70.3	168	166.8	0	0	111.8	F17 S18 S25 I86 K90	F17-E21 HydrophobicContact CB-CG 4.45Å; F17-E21 WeakPolarHBondContact O-CG 3.41Å; F17-E21 PolarHBondContact O-N 3.47Å; S18-E21 PolarHBondContact O-N 2.92Å; E21-S25 WeakPolarHBondContact O-CB 3.18Å; E21-S25 PolarHBondContact O-N 3.35Å; E21-S25 PolarHBondContact O-OG 3.42Å; E21-I86 HydrophobicContact CG-CD1 4.27Å; E21-K90 IonicContact OE1-NZ 2.91Å; E21-K90 PolarHBondContact OE1-NZ 2.96Å
22	S	88.9	Confident	81.4	Confident	75 Å²	75	72.6 Å²	72.6	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-51.8	173.3	-179.5	0	0	0	0	111.7	S18 V20 L24 S25 S26	S18-S22 WeakPolarHBondContact O-CB 3.29Å; S18-S22 PolarHBondContact O-N 2.95Å; V20-S22 VanDerWaalsContact C-N 3.32Å; V20-S22 PolarHBondContact O-N 3.32Å; S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.46Å; S22-S25 WeakPolarHBondContact O-CB 3.46Å; S22-S25 PolarHBondContact O-N 3.19Å; S22-S26 PolarHBondContact O-N 3.31Å; S22-S26 PolarHBondContact O-OG 2.9Å
23	A	82.9	Confident	83	Confident	61 Å²	61	71.4 Å²	71.4	50%	0.504	44%	0.435	S	S	.	.	H	α-helix	trans	-59	-38.3	177	0	0	0	0	0	112.1	G19 V20 S25 S26 L27	G19-A23 WeakPolarHBondContact O-CB 3.47Å; G19-A23 PolarHBondContact O-N 3.18Å; V20-A23 PolarHBondContact O-N 3Å; A23-S25 VanDerWaalsContact C-N 3.33Å; A23-S25 PolarHBondContact O-N 3.38Å; A23-S26 PolarHBondContact O-N 3.43Å; A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.28Å; A23-L27 PolarHBondContact O-N 3.31Å
24	L	87.1	Confident	84.4	Confident	11 Å²	11	70.3 Å²	70.3	6%	0.058	42%	0.419	C	S	.	.	H	α-helix	trans	-64.5	-38.3	175.6	-157.3	76.6	0	0	0	112.1	V20 S22 L27 K28 V79 V82 Q83	V20-L24 VanDerWaalsContact O-CB 3.28Å; V20-L24 WeakPolarHBondContact O-CB 3.36Å; V20-L24 PolarHBondContact O-N 2.97Å; S22-L24 VanDerWaalsContact C-N 3.26Å; S22-L24 PolarHBondContact O-N 3.46Å; L24-L27 PolarHBondContact O-N 3.14Å; L24-K28 WeakPolarHBondContact O-CG 3.24Å; L24-K28 PolarHBondContact O-N 3.1Å; L24-V79 HydrophobicContact CD1-CB 4.48Å; L24-V79 HydrophobicContact CD1-CG2 4.12Å; L24-V79 HydrophobicContact CD2-CG1 4.18Å; L24-V79 HydrophobicContact CG-CG1 4.43Å; L24-V79 HydrophobicContact CG-CG2 4.29Å; L24-V82 HydrophobicContact CD1-CB 3.83Å; L24-V82 HydrophobicContact CD1-CG1 3.86Å; L24-V82 HydrophobicContact CD1-CG2 4.15Å; L24-V82 HydrophobicContact CD2-CG1 4.43Å; L24-Q83 HydrophobicContact CD2-CG 3.55Å
25	S	87.5	Confident	85.5	Confident	64 Å²	64	64.2 Å²	64.2	45%	0.448	40%	0.395	S	S	.	.	H	α-helix	trans	-67.5	-43.4	177.5	-58.2	0	0	0	0	110.9	E21 S22 A23 L27 K28 N29	E21-S25 WeakPolarHBondContact O-CB 3.18Å; E21-S25 PolarHBondContact O-N 3.35Å; E21-S25 PolarHBondContact O-OG 3.42Å; S22-S25 WeakPolarHBondContact O-CB 3.46Å; S22-S25 PolarHBondContact O-N 3.19Å; A23-S25 VanDerWaalsContact C-N 3.33Å; A23-S25 PolarHBondContact O-N 3.38Å; S25-L27 VanDerWaalsContact C-N 3.29Å; S25-L27 PolarHBondContact O-N 3.38Å; S25-K28 PolarHBondContact O-N 3.07Å; S25-N29 PolarHBondContact O-N 2.92Å
26	S	86.6	Confident	86.2	Confident	67 Å²	67	65 Å²	65	47%	0.469	41%	0.405	S	S	.	.	H	α-helix	trans	-59.8	-41.2	171.2	-60.2	0	0	0	0	111.9	S22 A23 N29	S22-S26 PolarHBondContact O-N 3.31Å; S22-S26 PolarHBondContact O-OG 2.9Å; A23-S26 PolarHBondContact O-N 3.43Å; S26-N29 WeakPolarHBondContact O-CB 3.36Å; S26-N29 PolarHBondContact O-N 3Å
27	L	82.5	Confident	86.4	Confident	54 Å²	54	61.3 Å²	61.3	28%	0.283	38%	0.382	S	S	.	.	H	α-helix	trans	-65.7	-38.4	179.1	-172.3	62.7	0	0	0	112.2	A23 L24 S25 N29 F30 L75 Y78	A23-L27 VanDerWaalsContact O-CB 3.31Å; A23-L27 WeakPolarHBondContact O-CB 3.28Å; A23-L27 PolarHBondContact O-N 3.31Å; L24-L27 PolarHBondContact O-N 3.14Å; S25-L27 VanDerWaalsContact C-N 3.29Å; S25-L27 PolarHBondContact O-N 3.38Å; L27-N29 VanDerWaalsContact C-N 3.26Å; L27-N29 PolarHBondContact O-N 3.45Å; L27-F30 HydrophobicContact CD1-CD2 4.32Å; L27-F30 WeakPolarHBondContact O-CB 3.43Å; L27-F30 PolarHBondContact O-N 3.17Å; L27-F30 VanDerWaalsContact O-N 3.14Å; L27-L75 HydrophobicContact CD1-CD1 4.01Å; L27-L75 HydrophobicContact CD2-CD1 3.96Å; L27-L75 HydrophobicContact CG-CD1 3.54Å; L27-Y78 HydrophobicContact CD2-CD1 3.49Å; L27-Y78 VanDerWaalsContact CD2-CD1 3.49Å; L27-Y78 HydrophobicContact CD2-CE1 3.53Å
28	K	83.6	Confident	86.3	Confident	67 Å²	67	60.6 Å²	60.6	29%	0.291	38%	0.379	S	S	.	.	H	α-helix	trans	-60.6	-34.5	173.3	-75.2	171.7	178.8	177.3	0	112.6	L24 S25 F30 Q31 V79	L24-K28 WeakPolarHBondContact O-CG 3.24Å; L24-K28 PolarHBondContact O-N 3.1Å; S25-K28 PolarHBondContact O-N 3.07Å; K28-F30 PolarHBondContact O-N 3.33Å; K28-F30 VanDerWaalsContact O-N 3.16Å; K28-Q31 VanDerWaalsContact O-CB 3.31Å; K28-Q31 WeakPolarHBondContact O-CB 3.1Å; K28-Q31 VanDerWaalsContact O-CG 3.32Å; K28-Q31 WeakPolarHBondContact O-CG 3.46Å; K28-Q31 PolarHBondContact O-N 3.17Å; K28-V79 HydrophobicContact CD-CG1 4.39Å; K28-V79 HydrophobicContact CG-CG1 4.33Å; K28-V79 HydrophobicContact CG-CG2 3.94Å
29	N	83.7	Confident	86.4	Confident	118 Å²	118	60.9 Å²	60.9	63%	0.631	37%	0.374	S	S	*	.	H	α-helix	trans	-63.8	-20.5	178.3	-65.3	-19.5	0	0	0	112.8	S25 S26 L27 Q31 A32	S25-N29 PolarHBondContact O-N 2.92Å; S26-N29 WeakPolarHBondContact O-CB 3.36Å; S26-N29 PolarHBondContact O-N 3Å; L27-N29 VanDerWaalsContact C-N 3.26Å; L27-N29 PolarHBondContact O-N 3.45Å; N29-Q31 PolarHBondContact O-N 3.44Å; N29-A32 WeakPolarHBondContact O-CB 3.45Å; N29-A32 PolarHBondContact O-N 3.23Å; N29-A32 VanDerWaalsContact O-N 3.16Å
30	F	81.2	Confident	86.5	Confident	122 Å²	122	62.2 Å²	62.2	54%	0.535	37%	0.372	S	S	.	.	H	α-helix	trans	-65.2	-16.4	172.4	-80.8	-89.7	0	0	0	113.6	L27 K28 A32 C33 I34 L75	L27-F30 HydrophobicContact CD1-CD2 4.32Å; L27-F30 WeakPolarHBondContact O-CB 3.43Å; L27-F30 PolarHBondContact O-N 3.17Å; L27-F30 VanDerWaalsContact O-N 3.14Å; K28-F30 PolarHBondContact O-N 3.33Å; K28-F30 VanDerWaalsContact O-N 3.16Å; F30-A32 PolarHBondContact O-N 2.85Å; F30-C33 WeakPolarHBondContact O-CB 3.41Å; F30-C33 PolarHBondContact O-N 2.82Å; F30-I34 PolarHBondContact O-N 3.33Å; F30-I34 VanDerWaalsContact O-N 3.09Å; F30-L75 HydrophobicContact CB-CD2 4.42Å
31	Q	85.8	Confident	86.6	Confident	53 Å²	53	59.4 Å²	59.4	25%	0.248	36%	0.356	C	S	.	.	H	α-helix	trans	-58.2	-31.3	171.7	-68.2	-174.9	-79.5	0	0	111.9	K28 N29 C33 I34 N35 D72 L75 N76	K28-Q31 VanDerWaalsContact O-CB 3.31Å; K28-Q31 WeakPolarHBondContact O-CB 3.1Å; K28-Q31 VanDerWaalsContact O-CG 3.32Å; K28-Q31 WeakPolarHBondContact O-CG 3.46Å; K28-Q31 PolarHBondContact O-N 3.17Å; N29-Q31 PolarHBondContact O-N 3.44Å; Q31-C33 VanDerWaalsContact C-N 3.34Å; Q31-C33 PolarHBondContact O-N 3.04Å; Q31-I34 PolarHBondContact O-N 3.43Å; Q31-N35 WeakPolarHBondContact O-CB 3.32Å; Q31-N35 VanDerWaalsContact O-CG 3.29Å; Q31-N35 PolarHBondContact O-N 2.88Å; Q31-N35 PolarHBondContact O-ND2 3.22Å; Q31-D72 PolarHBondContact NE2-OD1 3.41Å; Q31-L75 HydrophobicContact CG-CD2 3.5Å; Q31-L75 VanDerWaalsContact CG-CD2 3.5Å; Q31-L75 HydrophobicContact CG-CG 4.3Å; Q31-N76 PolarHBondContact NE2-ND2 3.37Å; Q31-N76 PolarHBondContact NE2-OD1 2.82Å
32	A	87	Confident	86.4	Confident	67 Å²	67	56.3 Å²	56.3	55%	0.554	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-39.9	173.8	0	0	0	0	0	112	N29 F30 N35 S36	N29-A32 WeakPolarHBondContact O-CB 3.45Å; N29-A32 PolarHBondContact O-N 3.23Å; N29-A32 VanDerWaalsContact O-N 3.16Å; F30-A32 PolarHBondContact O-N 2.85Å; A32-N35 PolarHBondContact O-N 3.44Å; A32-S36 WeakPolarHBondContact O-CB 3.46Å; A32-S36 PolarHBondContact O-N 2.86Å
33	C	85.9	Confident	86.3	Confident	79 Å²	79	55.9 Å²	55.9	53%	0.534	34%	0.34	S	S	.	.	H	α-helix	trans	-66.2	-41.7	176.1	-57.6	0	0	0	0	111.7	F30 Q31 S36 G37	F30-C33 WeakPolarHBondContact O-CB 3.41Å; F30-C33 PolarHBondContact O-N 2.82Å; Q31-C33 VanDerWaalsContact C-N 3.34Å; Q31-C33 PolarHBondContact O-N 3.04Å; C33-S36 PolarHBondContact O-N 2.88Å; C33-G37 PolarHBondContact O-N 2.93Å
34	I	86.9	Confident	86.5	Confident	19 Å²	19	55.5 Å²	55.5	10%	0.097	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-47.8	176.2	-62.7	169.2	0	0	0	110	F30 Q31 S36 G37 M38 F68 L71 D72 L75	F30-I34 PolarHBondContact O-N 3.33Å; F30-I34 VanDerWaalsContact O-N 3.09Å; Q31-I34 PolarHBondContact O-N 3.43Å; I34-S36 VanDerWaalsContact C-N 3.34Å; I34-S36 PolarHBondContact O-N 3.22Å; I34-G37 PolarHBondContact O-N 3.05Å; I34-G37 VanDerWaalsContact O-N 3.14Å; I34-M38 HydrophobicContact CG2-SD 4.46Å; I34-M38 WeakPolarHBondContact O-CG 3.37Å; I34-M38 PolarHBondContact O-N 2.97Å; I34-F68 HydrophobicContact CG2-CB 4.14Å; I34-F68 HydrophobicContact CG2-CD1 4.1Å; I34-F68 WeakPolarHBondContact CG2-O 3.35Å; I34-L71 HydrophobicContact CD1-CB 4.32Å; I34-D72 HydrophobicContact CD1-CB 4.36Å; I34-D72 HydrophobicContact CG2-CB 4.01Å; I34-L75 HydrophobicContact CD1-CD2 3.7Å
35	N	88.8	Confident	86.3	Confident	59 Å²	59	55.4 Å²	55.4	32%	0.316	33%	0.332	S	S	.	.	H	α-helix	trans	-58.5	-44.4	177.8	-79.3	-34.1	0	0	0	112.4	Q31 A32 G37 M38 D39 K125	Q31-N35 WeakPolarHBondContact O-CB 3.32Å; Q31-N35 VanDerWaalsContact O-CG 3.29Å; Q31-N35 PolarHBondContact O-N 2.88Å; Q31-N35 PolarHBondContact O-ND2 3.22Å; A32-N35 PolarHBondContact O-N 3.44Å; N35-G37 VanDerWaalsContact C-N 3.32Å; N35-G37 PolarHBondContact O-N 3.43Å; N35-M38 PolarHBondContact O-N 3.34Å; N35-D39 PolarHBondContact O-N 3.23Å; N35-D39 VanDerWaalsContact O-OD2 3.12Å; N35-K125 PolarHBondContact O-NZ 3.37Å
36	S	90.1	Very high	85.9	Confident	68 Å²	68	54 Å²	54	48%	0.476	32%	0.32	S	S	.	.	H	α-helix	trans	-63.8	-37.4	176.6	-175.1	0	0	0	0	112.5	A32 C33 I34 D39 T40	A32-S36 WeakPolarHBondContact O-CB 3.46Å; A32-S36 PolarHBondContact O-N 2.86Å; C33-S36 PolarHBondContact O-N 2.88Å; I34-S36 VanDerWaalsContact C-N 3.34Å; I34-S36 PolarHBondContact O-N 3.22Å; S36-D39 PolarHBondContact O-N 3.02Å; S36-T40 PolarHBondContact O-N 3.47Å; S36-T40 PolarHBondContact O-OG1 2.93Å
37	G	86.4	Confident	85.8	Confident	15 Å²	15	55.4 Å²	55.4	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-42.3	174.7	0	0	0	0	0	112.1	C33 I34 N35 T40 A41	C33-G37 PolarHBondContact O-N 2.93Å; I34-G37 PolarHBondContact O-N 3.05Å; I34-G37 VanDerWaalsContact O-N 3.14Å; N35-G37 VanDerWaalsContact C-N 3.32Å; N35-G37 PolarHBondContact O-N 3.43Å; G37-T40 PolarHBondContact O-N 2.97Å; G37-A41 WeakPolarHBondContact O-CB 3.4Å; G37-A41 PolarHBondContact O-N 3.19Å
38	M	88.1	Confident	85.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-43.7	173.9	-65.8	-176.1	84.1	0	0	112.2	I34 N35 T40 A41 S42 M65 F68 A69 N123 K125	I34-M38 HydrophobicContact CG2-SD 4.46Å; I34-M38 WeakPolarHBondContact O-CG 3.37Å; I34-M38 PolarHBondContact O-N 2.97Å; N35-M38 PolarHBondContact O-N 3.34Å; M38-T40 VanDerWaalsContact C-N 3.3Å; M38-T40 PolarHBondContact O-N 3.1Å; M38-A41 PolarHBondContact O-N 3.34Å; M38-S42 WeakPolarHBondContact O-CB 3.24Å; M38-S42 PolarHBondContact O-N 2.97Å; M38-M65 HydrophobicContact CB-CE 4.19Å; M38-M65 HydrophobicContact CB-SD 3.87Å; M38-M65 HydrophobicContact CE-CE 3.72Å; M38-M65 HydrophobicContact CE-SD 4.29Å; M38-M65 HydrophobicContact CG-SD 4.17Å; M38-M65 VanDerWaalsContact O-SD 3.37Å; M38-F68 HydrophobicContact CG-CB 3.39Å; M38-F68 HydrophobicContact CG-CD2 4.21Å; M38-F68 HydrophobicContact CG-CG 3.92Å; M38-F68 HydrophobicContact SD-CB 4.11Å; M38-A69 HydrophobicContact CE-CB 4.32Å; M38-N123 WeakPolarHBondContact CE-OD1 3.35Å; M38-K125 HydrophobicContact CB-CD 4.35Å; M38-K125 HydrophobicContact CE-CB 4Å; M38-K125 HydrophobicContact SD-CB 4.48Å; M38-K125 HydrophobicContact SD-CD 4.43Å
39	D	88.6	Confident	85.2	Confident	81 Å²	81	53.5 Å²	53.5	43%	0.433	32%	0.316	S	S	.	.	H	α-helix	trans	-63.2	-40.3	179.2	-63.5	-26.9	0	0	0	110.9	N35 S36 S42 S43 K125	N35-D39 PolarHBondContact O-N 3.23Å; N35-D39 VanDerWaalsContact O-OD2 3.12Å; S36-D39 PolarHBondContact O-N 3.02Å; D39-S42 PolarHBondContact O-N 3.38Å; D39-S43 PolarHBondContact O-N 2.92Å; D39-S43 PolarHBondContact O-OG 3.18Å; D39-K125 IonicContact OD1-NZ 3.3Å; D39-K125 PolarHBondContact OD1-NZ 3.28Å; D39-K125 IonicContact OD2-NZ 2.72Å; D39-K125 PolarHBondContact OD2-NZ 3.01Å
40	T	89.7	Confident	84.7	Confident	80 Å²	80	53.9 Å²	53.9	49%	0.491	31%	0.314	S	S	.	.	H	α-helix	trans	-67.2	-46.8	177	-58.5	0	0	0	0	111.6	S36 G37 M38 S42 S43 V44	S36-T40 PolarHBondContact O-N 3.47Å; S36-T40 PolarHBondContact O-OG1 2.93Å; G37-T40 PolarHBondContact O-N 2.97Å; M38-T40 VanDerWaalsContact C-N 3.3Å; M38-T40 PolarHBondContact O-N 3.1Å; T40-S42 VanDerWaalsContact C-N 3.27Å; T40-S42 PolarHBondContact O-N 3.32Å; T40-S43 PolarHBondContact O-N 3.17Å; T40-V44 HydrophobicContact CG2-CG2 4.34Å; T40-V44 VanDerWaalsContact O-CG2 3.29Å; T40-V44 WeakPolarHBondContact O-CG2 3.32Å; T40-V44 PolarHBondContact O-N 2.97Å
41	A	87.6	Confident	84.5	Confident	6 Å²	6	51.3 Å²	51.3	5%	0.05	31%	0.312	C	S	.	.	H	α-helix	trans	-60.9	-38.6	177.6	0	0	0	0	0	111.7	G37 M38 A45 M61 A64 M65	G37-A41 WeakPolarHBondContact O-CB 3.4Å; G37-A41 PolarHBondContact O-N 3.19Å; M38-A41 PolarHBondContact O-N 3.34Å; A41-A45 WeakPolarHBondContact O-CB 3.32Å; A41-A45 PolarHBondContact O-N 2.93Å; A41-M61 HydrophobicContact CB-SD 4.22Å; A41-A64 HydrophobicContact CB-CB 4.45Å; A41-M65 HydrophobicContact CB-CG 4.1Å; A41-M65 HydrophobicContact CB-SD 3.87Å
42	S	86.5	Confident	83.5	Confident	17 Å²	17	57.1 Å²	57.1	12%	0.119	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-53.2	174.4	-171	0	0	0	0	111.7	M38 D39 T40 V44 A45 L46	M38-S42 WeakPolarHBondContact O-CB 3.24Å; M38-S42 PolarHBondContact O-N 2.97Å; D39-S42 PolarHBondContact O-N 3.38Å; T40-S42 VanDerWaalsContact C-N 3.27Å; T40-S42 PolarHBondContact O-N 3.32Å; S42-V44 PolarHBondContact O-N 3.22Å; S42-A45 WeakPolarHBondContact O-CB 3.33Å; S42-A45 PolarHBondContact O-N 3.44Å; S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.11Å
43	S	86.1	Confident	82.5	Confident	66 Å²	66	57.7 Å²	57.7	46%	0.462	34%	0.335	S	S	.	.	H	α-helix	trans	-58.1	-47.5	179.3	-63.8	0	0	0	0	112.1	D39 T40 A45 L46 D47	D39-S43 PolarHBondContact O-N 2.92Å; D39-S43 PolarHBondContact O-OG 3.18Å; T40-S43 PolarHBondContact O-N 3.17Å; S43-A45 VanDerWaalsContact C-N 3.3Å; S43-A45 PolarHBondContact O-N 3.06Å; S43-L46 PolarHBondContact O-N 3.43Å; S43-L46 VanDerWaalsContact O-N 3.11Å; S43-D47 PolarHBondContact O-N 3.35Å
44	V	86.5	Confident	81.1	Confident	53 Å²	53	63.2 Å²	63.2	32%	0.321	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-39	179.3	176.6	0	0	0	0	111.1	T40 S42 L46 D47 L48 M61	T40-V44 HydrophobicContact CG2-CG2 4.34Å; T40-V44 VanDerWaalsContact O-CG2 3.29Å; T40-V44 WeakPolarHBondContact O-CG2 3.32Å; T40-V44 PolarHBondContact O-N 2.97Å; S42-V44 PolarHBondContact O-N 3.22Å; V44-L46 VanDerWaalsContact C-N 3.31Å; V44-L46 PolarHBondContact O-N 3.25Å; V44-D47 PolarHBondContact O-N 3.06Å; V44-L48 HydrophobicContact CG1-CD1 3.84Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.16Å; V44-L48 WeakPolarHBondContact O-CD1 3.39Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 3.48Å; V44-M61 HydrophobicContact CB-CE 4.19Å; V44-M61 HydrophobicContact CB-SD 4.26Å; V44-M61 HydrophobicContact CG1-CE 3.51Å; V44-M61 HydrophobicContact CG1-CG 4.4Å; V44-M61 HydrophobicContact CG1-SD 4.17Å
45	A	83.2	Confident	79.7	Confident	8 Å²	8	65.9 Å²	65.9	7%	0.066	37%	0.37	C	S	.	.	H	α-helix	trans	-62.8	-37.8	176	0	0	0	0	0	112.8	A41 S42 S43 V49 M61 F129 L133	A41-A45 WeakPolarHBondContact O-CB 3.32Å; A41-A45 PolarHBondContact O-N 2.93Å; S42-A45 WeakPolarHBondContact O-CB 3.33Å; S42-A45 PolarHBondContact O-N 3.44Å; S43-A45 VanDerWaalsContact C-N 3.3Å; S43-A45 PolarHBondContact O-N 3.06Å; A45-V49 WeakPolarHBondContact O-CG2 3.48Å; A45-V49 PolarHBondContact O-N 2.97Å; A45-M61 HydrophobicContact CB-CB 3.64Å; A45-M61 HydrophobicContact CB-CG 4.01Å; A45-F129 HydrophobicContact CB-CE2 3.56Å; A45-F129 HydrophobicContact CB-CZ 4.09Å; A45-L133 HydrophobicContact CB-CD2 4.46Å
46	L	80.2	Confident	78.3	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.183	38%	0.382	C	S	.	.	H	α-helix	trans	-67.5	-49.4	177.9	-66.3	170.1	0	0	0	110.5	S42 S43 V44 L48 V49 E50 Q132 L133 L136	S42-L46 WeakPolarHBondContact O-CG 3.35Å; S42-L46 PolarHBondContact O-N 3.11Å; S43-L46 PolarHBondContact O-N 3.43Å; S43-L46 VanDerWaalsContact O-N 3.11Å; V44-L46 VanDerWaalsContact C-N 3.31Å; V44-L46 PolarHBondContact O-N 3.25Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.02Å; L46-V49 PolarHBondContact O-N 3.15Å; L46-E50 WeakPolarHBondContact O-CG 3.38Å; L46-E50 PolarHBondContact O-N 3.44Å; L46-Q132 HydrophobicContact CD2-CB 4.24Å; L46-L133 HydrophobicContact CD2-CD2 4.43Å; L46-L136 HydrophobicContact CD2-CD2 3.82Å
47	D	83.1	Confident	76.7	Confident	96 Å²	96	69.2 Å²	69.2	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-57.6	-38.3	178.3	-65	-15.8	0	0	0	112.2	S43 V44 E50 S51	S43-D47 PolarHBondContact O-N 3.35Å; V44-D47 PolarHBondContact O-N 3.06Å; D47-E50 PolarHBondContact O-N 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.47Å; D47-S51 PolarHBondContact O-N 3.34Å; D47-S51 PolarHBondContact O-OG 3.11Å
48	L	79.5	Confident	75	Confident	44 Å²	44	76 Å²	76	23%	0.23	43%	0.426	C	S	.	.	H	α-helix	trans	-66.4	-39.4	176.9	-73.7	166.9	0	0	0	112.7	V44 L46 S51 Q52 T53 V55 M61	V44-L48 HydrophobicContact CG1-CD1 3.84Å; V44-L48 HydrophobicContact CG1-CG 4.31Å; V44-L48 WeakPolarHBondContact O-CB 3.16Å; V44-L48 WeakPolarHBondContact O-CD1 3.39Å; V44-L48 WeakPolarHBondContact O-CG 3.42Å; V44-L48 PolarHBondContact O-N 3.48Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.02Å; L48-S51 PolarHBondContact O-OG 3.01Å; L48-Q52 PolarHBondContact O-N 3.36Å; L48-T53 HydrophobicContact CD2-CG2 4.47Å; L48-T53 PolarHBondContact O-N 3.35Å; L48-V55 HydrophobicContact CB-CG2 4.3Å; L48-V55 HydrophobicContact CD1-CG2 3.73Å; L48-V55 HydrophobicContact CD2-CG2 3.54Å; L48-V55 HydrophobicContact CG-CG2 4.04Å; L48-M61 HydrophobicContact CD1-CG 4.37Å
49	V	74.6	Confident	73.7	Confident	37 Å²	37	83.3 Å²	83.3	22%	0.224	46%	0.455	C	S	.	.	H	α-helix	trans	-68.3	-40.4	176	171.5	0	0	0	0	110.8	A45 L46 Q52 L133 L136	A45-V49 WeakPolarHBondContact O-CG2 3.48Å; A45-V49 PolarHBondContact O-N 2.97Å; L46-V49 PolarHBondContact O-N 3.15Å; V49-Q52 PolarHBondContact O-N 2.96Å; V49-L133 HydrophobicContact CG2-CD2 3.94Å; V49-L136 HydrophobicContact CB-CD2 3.78Å; V49-L136 HydrophobicContact CG1-CB 4.48Å; V49-L136 HydrophobicContact CG1-CD2 3.51Å; V49-L136 HydrophobicContact CG1-CG 3.9Å
50	E	73.6	Confident	73	Confident	126 Å²	126	81.6 Å²	81.6	59%	0.589	45%	0.449	S	S	*	.	H	α-helix	trans	-65.8	-40.8	178.2	-69.7	-176.1	173.8	0	0	112.4	L46 D47 Q52 L136	L46-E50 WeakPolarHBondContact O-CG 3.38Å; L46-E50 PolarHBondContact O-N 3.44Å; D47-E50 PolarHBondContact O-N 3.23Å; E50-Q52 VanDerWaalsContact C-N 3.27Å; E50-Q52 PolarHBondContact O-N 3.35Å; E50-L136 HydrophobicContact CG-CD1 4.45Å; E50-L136 HydrophobicContact CG-CD2 4.07Å
51	S	77.3	Confident	72.7	Confident	69 Å²	69	80.1 Å²	80.1	48%	0.483	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.9	-179.8	58.9	0	0	0	0	114.7	D47 L48 T53	D47-S51 WeakPolarHBondContact O-CB 3.47Å; D47-S51 PolarHBondContact O-N 3.34Å; D47-S51 PolarHBondContact O-OG 3.11Å; L48-S51 PolarHBondContact O-OG 3.01Å; S51-T53 PolarHBondContact O-N 3.49Å; S51-T53 VanDerWaalsContact O-N 3.17Å; S51-T53 PolarHBondContact OG-OG1 3.22Å
52	Q	64.8	Low	72.2	Confident	175 Å²	175	82.4 Å²	82.4	82%	0.818	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	26.1	-173.3	-63.8	177	58.6	0	0	113.9	L48 V49 E50 E54	L48-Q52 PolarHBondContact O-N 3.36Å; V49-Q52 PolarHBondContact O-N 2.96Å; E50-Q52 VanDerWaalsContact C-N 3.27Å; E50-Q52 PolarHBondContact O-N 3.35Å; Q52-E54 PolarHBondContact O-N 2.92Å
53	T	64.3	Low	72	Confident	79 Å²	79	86.5 Å²	86.5	49%	0.485	46%	0.464	S	S	.	.			trans	-75.2	120.4	179.8	-54.7	0	0	0	0	109.4	L48 S51 V55	L48-T53 HydrophobicContact CD2-CG2 4.47Å; L48-T53 PolarHBondContact O-N 3.35Å; S51-T53 PolarHBondContact O-N 3.49Å; S51-T53 VanDerWaalsContact O-N 3.17Å; S51-T53 PolarHBondContact OG-OG1 3.22Å; T53-V55 PolarHBondContact O-N 3.3Å
54	E	57.2	Low	71.9	Confident	195 Å²	195	83.9 Å²	83.9	91%	0.911	45%	0.446	S	S	*	.			trans	-67.4	114.9	171.3	-76.5	-160.1	159.9	0	0	109.8	Q52	Q52-E54 PolarHBondContact O-N 2.92Å
55	V	58	Low	71.7	Confident	75 Å²	75	81.4 Å²	81.4	46%	0.455	43%	0.431	S	S	.	.			trans	-98.4	134.9	175.8	-173.1	0	0	0	0	109.2	L48 T53 S57	L48-V55 HydrophobicContact CB-CG2 4.3Å; L48-V55 HydrophobicContact CD1-CG2 3.73Å; L48-V55 HydrophobicContact CD2-CG2 3.54Å; L48-V55 HydrophobicContact CG-CG2 4.04Å; T53-V55 PolarHBondContact O-N 3.3Å; V55-S57 PolarHBondContact O-N 3.46Å
56	S	58.1	Low	71.7	Confident	80 Å²	80	83.6 Å²	83.6	56%	0.559	44%	0.444	S	S	*	.			trans	-48.7	130.6	172.4	170.7	0	0	0	0	111.3	E58	S56-E58 PolarHBondContact O-N 2.98Å; S56-E58 VanDerWaalsContact O-N 3.14Å; S56-E58 PolarHBondContact OG-N 3.39Å
57	S	58.2	Low	72	Confident	117 Å²	117	86 Å²	86	82%	0.818	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-64.2	-16.1	-178.5	67.6	0	0	0	0	114.6	V55	V55-S57 PolarHBondContact O-N 3.46Å
58	E	50.2	Low	72.1	Confident	158 Å²	158	84.1 Å²	84.1	74%	0.738	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-76.1	-22.6	-173.3	-163.8	167.1	-155.3	0	0	113.3	S56	S56-E58 PolarHBondContact O-N 2.98Å; S56-E58 VanDerWaalsContact O-N 3.14Å; S56-E58 PolarHBondContact OG-N 3.39Å
59	Y	60.5	Low	72.3	Confident	153 Å²	153	82.3 Å²	82.3	60%	0.6	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-136.6	69	176.8	-145.7	-89.7	0	0	0	111.2
60	S	74.6	Confident	72.8	Confident	44 Å²	44	82 Å²	82	31%	0.308	43%	0.431	S	S	.	.			trans	-79.7	143.5	176.1	67.7	0	0	0	0	111.5	D62 K63 A64	S60-D62 PolarHBondContact O-N 3.18Å; S60-K63 WeakPolarHBondContact O-CB 3.11Å; S60-K63 PolarHBondContact O-N 3.42Å; S60-K63 PolarHBondContact OG-N 3.03Å; S60-A64 PolarHBondContact O-N 3Å
61	M	82.3	Confident	73.4	Confident	50 Å²	50	80.2 Å²	80.2	25%	0.246	43%	0.425	C	S	.	.	H	α-helix	trans	-59.3	-27	173.1	-65.7	-64.4	157.1	0	0	111.9	A41 V44 A45 L48 K63 A64 M65	A41-M61 HydrophobicContact CB-SD 4.22Å; V44-M61 HydrophobicContact CB-CE 4.19Å; V44-M61 HydrophobicContact CB-SD 4.26Å; V44-M61 HydrophobicContact CG1-CE 3.51Å; V44-M61 HydrophobicContact CG1-CG 4.4Å; V44-M61 HydrophobicContact CG1-SD 4.17Å; A45-M61 HydrophobicContact CB-CB 3.64Å; A45-M61 HydrophobicContact CB-CG 4.01Å; L48-M61 HydrophobicContact CD1-CG 4.37Å; M61-K63 VanDerWaalsContact C-N 3.32Å; M61-K63 PolarHBondContact O-N 3.23Å; M61-A64 PolarHBondContact O-N 3.48Å; M61-M65 WeakPolarHBondContact O-CB 3.42Å; M61-M65 VanDerWaalsContact O-CG 3.32Å; M61-M65 WeakPolarHBondContact O-CG 3.41Å; M61-M65 PolarHBondContact O-N 3.33Å
62	D	76.9	Confident	73.8	Confident	54 Å²	54	78.1 Å²	78.1	29%	0.289	41%	0.408	S	S	.	.	H	α-helix	trans	-56	-44.4	169.4	-79.3	-1.9	0	0	0	111.7	S60 M65 V66 F129 K130 L133	S60-D62 PolarHBondContact O-N 3.18Å; D62-M65 PolarHBondContact O-N 2.79Å; D62-V66 WeakPolarHBondContact O-CG2 3.45Å; D62-V66 PolarHBondContact O-N 2.89Å; D62-F129 WeakPolarHBondContact OD1-CE1 3.3Å; D62-F129 WeakPolarHBondContact OD1-CZ 3.41Å; D62-K130 IonicContact OD2-NZ 3.91Å; D62-L133 WeakPolarHBondContact OD1-CD1 3.33Å
63	K	82.1	Confident	74.8	Confident	103 Å²	103	72.1 Å²	72.1	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-67.5	-43.8	177.6	-174.1	-177.9	174.9	-171.1	0	111.5	S60 M61 M65 V66 E67	S60-K63 WeakPolarHBondContact O-CB 3.11Å; S60-K63 PolarHBondContact O-N 3.42Å; S60-K63 PolarHBondContact OG-N 3.03Å; M61-K63 VanDerWaalsContact C-N 3.32Å; M61-K63 PolarHBondContact O-N 3.23Å; K63-M65 VanDerWaalsContact C-N 3.29Å; K63-M65 PolarHBondContact O-N 3.44Å; K63-V66 PolarHBondContact O-N 3.16Å; K63-V66 VanDerWaalsContact O-N 3.16Å; K63-E67 VanDerWaalsContact CE-OE1 3.32Å; K63-E67 WeakPolarHBondContact CE-OE1 3.18Å; K63-E67 WeakPolarHBondContact O-CG 3.48Å; K63-E67 PolarHBondContact O-N 3.49Å
64	A	84.3	Confident	75.8	Confident	11 Å²	11	71.8 Å²	71.8	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-59.6	-40.7	176.1	0	0	0	0	0	111.9	A41 S60 M61 V66 E67 F68	A41-A64 HydrophobicContact CB-CB 4.45Å; S60-A64 PolarHBondContact O-N 3Å; M61-A64 PolarHBondContact O-N 3.48Å; A64-V66 PolarHBondContact O-N 3.01Å; A64-E67 PolarHBondContact O-N 3.47Å; A64-F68 WeakPolarHBondContact O-CD2 3.37Å; A64-F68 PolarHBondContact O-N 2.95Å
65	M	83.8	Confident	77.3	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-38.8	175.9	-75.4	-65.1	-77	0	0	112.8	M38 A41 M61 D62 K63 A69 F126 F129	M38-M65 HydrophobicContact CB-CE 4.19Å; M38-M65 HydrophobicContact CB-SD 3.87Å; M38-M65 HydrophobicContact CE-CE 3.72Å; M38-M65 HydrophobicContact CE-SD 4.29Å; M38-M65 HydrophobicContact CG-SD 4.17Å; M38-M65 VanDerWaalsContact O-SD 3.37Å; A41-M65 HydrophobicContact CB-CG 4.1Å; A41-M65 HydrophobicContact CB-SD 3.87Å; M61-M65 WeakPolarHBondContact O-CB 3.42Å; M61-M65 VanDerWaalsContact O-CG 3.32Å; M61-M65 WeakPolarHBondContact O-CG 3.41Å; M61-M65 PolarHBondContact O-N 3.33Å; D62-M65 PolarHBondContact O-N 2.79Å; K63-M65 VanDerWaalsContact C-N 3.29Å; K63-M65 PolarHBondContact O-N 3.44Å; M65-A69 WeakPolarHBondContact O-CB 3.32Å; M65-A69 PolarHBondContact O-N 3.3Å; M65-F126 HydrophobicContact CB-CD2 3.99Å; M65-F126 HydrophobicContact CB-CE2 4.17Å; M65-F129 HydrophobicContact CB-CD1 4.37Å; M65-F129 HydrophobicContact CB-CE1 4.2Å; M65-F129 HydrophobicContact CE-CB 3.74Å; M65-F129 HydrophobicContact CE-CD1 4.18Å; M65-F129 HydrophobicContact CE-CD2 4.35Å; M65-F129 HydrophobicContact CE-CG 3.85Å; M65-F129 HydrophobicContact CG-CD1 4.07Å; M65-F129 HydrophobicContact CG-CD2 4.44Å; M65-F129 HydrophobicContact CG-CE1 3.91Å; M65-F129 HydrophobicContact CG-CE2 4.27Å; M65-F129 HydrophobicContact CG-CG 4.31Å; M65-F129 HydrophobicContact CG-CZ 3.99Å
66	V	83.2	Confident	78.7	Confident	53 Å²	53	62.1 Å²	62.1	32%	0.321	32%	0.323	S	S	.	.	H	α-helix	trans	-66.1	-40.6	174	172.6	0	0	0	0	111.5	D62 K63 A64 A69 T70 F120 F126	D62-V66 WeakPolarHBondContact O-CG2 3.45Å; D62-V66 PolarHBondContact O-N 2.89Å; K63-V66 PolarHBondContact O-N 3.16Å; K63-V66 VanDerWaalsContact O-N 3.16Å; A64-V66 PolarHBondContact O-N 3.01Å; V66-A69 PolarHBondContact O-N 2.84Å; V66-T70 WeakPolarHBondContact O-CB 3.48Å; V66-T70 PolarHBondContact O-N 2.9Å; V66-T70 PolarHBondContact O-OG1 3.46Å; V66-F120 HydrophobicContact CG1-CE1 4.06Å; V66-F120 HydrophobicContact CG1-CZ 4.35Å; V66-F126 HydrophobicContact CG2-CE2 3.72Å; V66-F126 HydrophobicContact CG2-CZ 3.95Å
67	E	85.3	Confident	80.1	Confident	85 Å²	85	59.5 Å²	59.5	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-45.9	177	-72.9	175.4	-171.2	0	0	111.4	K63 A64 A69 T70 L71	K63-E67 VanDerWaalsContact CE-OE1 3.32Å; K63-E67 WeakPolarHBondContact CE-OE1 3.18Å; K63-E67 WeakPolarHBondContact O-CG 3.48Å; K63-E67 PolarHBondContact O-N 3.49Å; A64-E67 PolarHBondContact O-N 3.47Å; E67-A69 PolarHBondContact O-N 2.94Å; E67-T70 WeakPolarHBondContact O-CB 3.33Å; E67-T70 PolarHBondContact O-N 3.27Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 3.45Å
68	F	85.3	Confident	81.6	Confident	58 Å²	58	58.9 Å²	58.9	25%	0.254	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-42.9	174.8	-76.9	-58.8	0	0	0	112.9	I34 M38 A64 T70 L71 D72	I34-F68 HydrophobicContact CG2-CB 4.14Å; I34-F68 HydrophobicContact CG2-CD1 4.1Å; I34-F68 WeakPolarHBondContact CG2-O 3.35Å; M38-F68 HydrophobicContact CG-CB 3.39Å; M38-F68 HydrophobicContact CG-CD2 4.21Å; M38-F68 HydrophobicContact CG-CG 3.92Å; M38-F68 HydrophobicContact SD-CB 4.11Å; A64-F68 WeakPolarHBondContact O-CD2 3.37Å; A64-F68 PolarHBondContact O-N 2.95Å; F68-T70 VanDerWaalsContact C-N 3.29Å; F68-T70 PolarHBondContact O-N 2.91Å; F68-L71 PolarHBondContact O-N 3.38Å; F68-D72 PolarHBondContact O-N 3.43Å
69	A	84.2	Confident	83.4	Confident	6 Å²	6	51.7 Å²	51.7	5%	0.05	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-37.4	175.7	0	0	0	0	0	112	M38 M65 V66 E67 R73 F120 N123	M38-A69 HydrophobicContact CE-CB 4.32Å; M65-A69 WeakPolarHBondContact O-CB 3.32Å; M65-A69 PolarHBondContact O-N 3.3Å; V66-A69 PolarHBondContact O-N 2.84Å; E67-A69 PolarHBondContact O-N 2.94Å; A69-R73 PolarHBondContact O-N 3.18Å; A69-R73 VanDerWaalsContact O-N 3.14Å; A69-F120 HydrophobicContact CB-CD1 4.13Å; A69-F120 HydrophobicContact CB-CE1 4.37Å; A69-N123 HydrophobicContact CB-CB 4.48Å
70	T	84.1	Confident	84.9	Confident	31 Å²	31	50 Å²	50	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-45.3	175	-59.9	0	0	0	0	111.3	V66 E67 F68 R73 Q74 F120	V66-T70 WeakPolarHBondContact O-CB 3.48Å; V66-T70 PolarHBondContact O-N 2.9Å; V66-T70 PolarHBondContact O-OG1 3.46Å; E67-T70 WeakPolarHBondContact O-CB 3.33Å; E67-T70 PolarHBondContact O-N 3.27Å; F68-T70 VanDerWaalsContact C-N 3.29Å; F68-T70 PolarHBondContact O-N 2.91Å; T70-R73 PolarHBondContact O-N 3.37Å; T70-Q74 HydrophobicContact CG2-CG 4.41Å; T70-Q74 WeakPolarHBondContact O-CB 3.35Å; T70-Q74 WeakPolarHBondContact O-CG 3.35Å; T70-Q74 PolarHBondContact O-N 3.16Å; T70-F120 VanDerWaalsContact OG1-CE1 3.26Å; T70-F120 WeakPolarHBondContact OG1-CE1 3.43Å; T70-F120 WeakPolarHBondContact OG1-CZ 3.45Å
71	L	87.3	Confident	85.5	Confident	87 Å²	87	48 Å²	48	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-43.9	178.7	-74.1	170.3	0	0	0	111.8	I34 E67 F68 R73 Q74 L75	I34-L71 HydrophobicContact CD1-CB 4.32Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å; E67-L71 PolarHBondContact O-N 3.45Å; F68-L71 PolarHBondContact O-N 3.38Å; L71-R73 VanDerWaalsContact C-N 3.34Å; L71-R73 PolarHBondContact O-N 2.92Å; L71-Q74 PolarHBondContact O-N 2.99Å; L71-L75 VanDerWaalsContact O-CB 3.23Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 PolarHBondContact O-N 3.48Å
72	D	85.3	Confident	85.9	Confident	25 Å²	25	46 Å²	46	13%	0.134	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-42.9	176.3	-176.2	63.1	0	0	0	111.4	Q31 I34 F68 L75 N76	Q31-D72 PolarHBondContact NE2-OD1 3.41Å; I34-D72 HydrophobicContact CD1-CB 4.36Å; I34-D72 HydrophobicContact CG2-CB 4.01Å; F68-D72 PolarHBondContact O-N 3.43Å; D72-L75 PolarHBondContact O-N 3.03Å; D72-N76 WeakPolarHBondContact O-CB 3.41Å; D72-N76 PolarHBondContact O-N 3.35Å; D72-N76 PolarHBondContact O-ND2 3.39Å; D72-N76 PolarHBondContact OD2-ND2 3.05Å; D72-N76 VanDerWaalsContact OD2-ND2 3.09Å
73	R	85.1	Confident	86.6	Confident	50 Å²	50	47 Å²	47	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-47.9	175.3	-176.1	178.3	67.9	-179.4	-0.4	112.1	A69 T70 L71 N76 H77 N115	A69-R73 PolarHBondContact O-N 3.18Å; A69-R73 VanDerWaalsContact O-N 3.14Å; T70-R73 PolarHBondContact O-N 3.37Å; L71-R73 VanDerWaalsContact C-N 3.34Å; L71-R73 PolarHBondContact O-N 2.92Å; R73-N76 PolarHBondContact O-N 2.95Å; R73-H77 PolarHBondContact O-N 3.32Å; R73-N115 VanDerWaalsContact CZ-ND2 3.34Å; R73-N115 PolarHBondContact NE-ND2 2.9Å
74	Q	85.6	Confident	87.1	Confident	71 Å²	71	44.4 Å²	44.4	33%	0.332	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-44.3	179	-76.7	178.7	-19.3	0	0	111.5	T70 L71 N76 H77 Y78 F108	T70-Q74 HydrophobicContact CG2-CG 4.41Å; T70-Q74 WeakPolarHBondContact O-CB 3.35Å; T70-Q74 WeakPolarHBondContact O-CG 3.35Å; T70-Q74 PolarHBondContact O-N 3.16Å; L71-Q74 PolarHBondContact O-N 2.99Å; Q74-N76 PolarHBondContact O-N 3.15Å; Q74-H77 PolarHBondContact O-N 3.44Å; Q74-Y78 WeakPolarHBondContact O-CB 3.3Å; Q74-Y78 PolarHBondContact O-N 3.45Å; Q74-F108 WeakPolarHBondContact O-CE2 3.23Å
75	L	88.8	Confident	87.4	Confident	20 Å²	20	44 Å²	44	11%	0.105	22%	0.216	C	C	.	.	H	α-helix	trans	-57.8	-48.4	175.8	173.2	54.8	0	0	0	111.2	L27 F30 Q31 I34 L71 D72 H77 Y78 V79	L27-L75 HydrophobicContact CD1-CD1 4.01Å; L27-L75 HydrophobicContact CD2-CD1 3.96Å; L27-L75 HydrophobicContact CG-CD1 3.54Å; F30-L75 HydrophobicContact CB-CD2 4.42Å; Q31-L75 HydrophobicContact CG-CD2 3.5Å; Q31-L75 VanDerWaalsContact CG-CD2 3.5Å; Q31-L75 HydrophobicContact CG-CG 4.3Å; I34-L75 HydrophobicContact CD1-CD2 3.7Å; L71-L75 VanDerWaalsContact O-CB 3.23Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 PolarHBondContact O-N 3.48Å; D72-L75 PolarHBondContact O-N 3.03Å; L75-H77 PolarHBondContact O-N 3.18Å; L75-Y78 PolarHBondContact O-N 2.98Å; L75-V79 HydrophobicContact CD1-CG2 4.24Å; L75-V79 WeakPolarHBondContact O-CB 3.47Å; L75-V79 VanDerWaalsContact O-CG2 3.31Å; L75-V79 WeakPolarHBondContact O-CG2 3.15Å; L75-V79 PolarHBondContact O-N 3.22Å
76	N	88.8	Confident	87.8	Confident	47 Å²	47	44.3 Å²	44.3	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-60.9	-40.9	176.8	-78.3	-47.5	0	0	0	112.8	Q31 D72 R73 Q74 K80	Q31-N76 PolarHBondContact NE2-ND2 3.37Å; Q31-N76 PolarHBondContact NE2-OD1 2.82Å; D72-N76 WeakPolarHBondContact O-CB 3.41Å; D72-N76 PolarHBondContact O-N 3.35Å; D72-N76 PolarHBondContact O-ND2 3.39Å; D72-N76 PolarHBondContact OD2-ND2 3.05Å; D72-N76 VanDerWaalsContact OD2-ND2 3.09Å; R73-N76 PolarHBondContact O-N 2.95Å; Q74-N76 PolarHBondContact O-N 3.15Å; N76-K80 WeakPolarHBondContact O-CG 3.26Å; N76-K80 PolarHBondContact O-N 3.18Å
77	H	87.6	Confident	88.1	Confident	26 Å²	26	45.7 Å²	45.7	12%	0.12	22%	0.223	C	C	.	.	H	α-helix	trans	-67.7	-40.7	176.4	-74.1	164.5	0	0	0	113.1	R73 Q74 L75 V79 K80 A81 F108 L111 N115	R73-H77 PolarHBondContact O-N 3.32Å; Q74-H77 PolarHBondContact O-N 3.44Å; L75-H77 PolarHBondContact O-N 3.18Å; H77-V79 VanDerWaalsContact C-N 3.34Å; H77-K80 PolarHBondContact O-N 3.01Å; H77-A81 WeakPolarHBondContact O-CB 3.45Å; H77-A81 PolarHBondContact O-N 3.44Å; H77-F108 HydrophobicContact CB-CD2 3.84Å; H77-F108 HydrophobicContact CB-CE2 3.69Å; H77-L111 HydrophobicContact CB-CB 4.1Å; H77-L111 HydrophobicContact CB-CD1 4.14Å; H77-L111 WeakPolarHBondContact O-CD1 3.43Å; H77-N115 PolarHBondContact CE1-OD1 3Å
78	Y	87.9	Confident	88.3	Confident	103 Å²	103	44.3 Å²	44.3	40%	0.404	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-46.3	176.2	-179.7	-100.9	0	0	0	110.6	L27 Q74 L75 K80 A81 V82 V104	L27-Y78 HydrophobicContact CD2-CD1 3.49Å; L27-Y78 VanDerWaalsContact CD2-CD1 3.49Å; L27-Y78 HydrophobicContact CD2-CE1 3.53Å; Q74-Y78 WeakPolarHBondContact O-CB 3.3Å; Q74-Y78 PolarHBondContact O-N 3.45Å; L75-Y78 PolarHBondContact O-N 2.98Å; Y78-K80 PolarHBondContact O-N 3.19Å; Y78-A81 PolarHBondContact O-N 2.85Å; Y78-V82 HydrophobicContact CD1-CG2 4.31Å; Y78-V82 HydrophobicContact CE1-CG2 3.88Å; Y78-V82 HydrophobicContact CE2-CG2 4.16Å; Y78-V82 WeakPolarHBondContact O-CG2 3.38Å; Y78-V82 PolarHBondContact O-N 2.93Å; Y78-V104 HydrophobicContact CD2-CG1 4.44Å; Y78-V104 HydrophobicContact CE2-CG1 4.03Å
79	V	88.9	Confident	88.5	Confident	7 Å²	7	41.9 Å²	41.9	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-54.8	-49.6	174.9	164.5	0	0	0	0	111.8	L24 K28 L75 H77 A81 V82 Q83	L24-V79 HydrophobicContact CD1-CB 4.48Å; L24-V79 HydrophobicContact CD1-CG2 4.12Å; L24-V79 HydrophobicContact CD2-CG1 4.18Å; L24-V79 HydrophobicContact CG-CG1 4.43Å; L24-V79 HydrophobicContact CG-CG2 4.29Å; K28-V79 HydrophobicContact CD-CG1 4.39Å; K28-V79 HydrophobicContact CG-CG1 4.33Å; K28-V79 HydrophobicContact CG-CG2 3.94Å; L75-V79 HydrophobicContact CD1-CG2 4.24Å; L75-V79 WeakPolarHBondContact O-CB 3.47Å; L75-V79 VanDerWaalsContact O-CG2 3.31Å; L75-V79 WeakPolarHBondContact O-CG2 3.15Å; L75-V79 PolarHBondContact O-N 3.22Å; H77-V79 VanDerWaalsContact C-N 3.34Å; V79-A81 PolarHBondContact O-N 3.33Å; V79-V82 PolarHBondContact O-N 3.13Å; V79-Q83 WeakPolarHBondContact O-CG 3.45Å; V79-Q83 PolarHBondContact O-N 3.17Å
80	K	91.2	Very high	88.7	Confident	118 Å²	118	46 Å²	46	51%	0.513	22%	0.223	S	C	.	.	H	α-helix	trans	-63	-40.5	178.2	-74.5	175.1	-178.2	176.2	0	112.4	N76 H77 Y78 Q83 S84 L111	N76-K80 WeakPolarHBondContact O-CG 3.26Å; N76-K80 PolarHBondContact O-N 3.18Å; H77-K80 PolarHBondContact O-N 3.01Å; Y78-K80 PolarHBondContact O-N 3.19Å; K80-Q83 PolarHBondContact O-N 3.04Å; K80-S84 VanDerWaalsContact O-CB 3.24Å; K80-S84 WeakPolarHBondContact O-CB 3.37Å; K80-S84 PolarHBondContact O-N 3.43Å; K80-L111 HydrophobicContact CB-CD1 4Å
81	A	88.4	Confident	88.8	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-64.1	-43.1	179	0	0	0	0	0	111.9	H77 Y78 V79 T85 V104 K107 F108 L111	H77-A81 WeakPolarHBondContact O-CB 3.45Å; H77-A81 PolarHBondContact O-N 3.44Å; Y78-A81 PolarHBondContact O-N 2.85Å; V79-A81 PolarHBondContact O-N 3.33Å; A81-T85 WeakPolarHBondContact O-CB 3.5Å; A81-T85 PolarHBondContact O-N 2.91Å; A81-T85 PolarHBondContact O-OG1 2.96Å; A81-V104 HydrophobicContact CB-CG1 4.22Å; A81-K107 HydrophobicContact CB-CB 3.94Å; A81-F108 HydrophobicContact CB-CB 3.9Å; A81-L111 HydrophobicContact CB-CD1 4.32Å
82	V	89.6	Confident	88.7	Confident	8 Å²	8	53.6 Å²	53.6	5%	0.048	25%	0.254	C	S	.	.	H	α-helix	trans	-64	-49.8	175.3	175.6	0	0	0	0	110.8	V20 L24 Y78 V79 S84 T85 I86 V104	V20-V82 HydrophobicContact CG1-CG1 3.64Å; L24-V82 HydrophobicContact CD1-CB 3.83Å; L24-V82 HydrophobicContact CD1-CG1 3.86Å; L24-V82 HydrophobicContact CD1-CG2 4.15Å; L24-V82 HydrophobicContact CD2-CG1 4.43Å; Y78-V82 HydrophobicContact CD1-CG2 4.31Å; Y78-V82 HydrophobicContact CE1-CG2 3.88Å; Y78-V82 HydrophobicContact CE2-CG2 4.16Å; Y78-V82 WeakPolarHBondContact O-CG2 3.38Å; Y78-V82 PolarHBondContact O-N 2.93Å; V79-V82 PolarHBondContact O-N 3.13Å; V82-S84 PolarHBondContact O-N 2.87Å; V82-T85 PolarHBondContact O-N 3.33Å; V82-T85 VanDerWaalsContact O-N 3.16Å; V82-I86 HydrophobicContact CG1-CD1 3.85Å; V82-I86 HydrophobicContact CG1-CG1 4.4Å; V82-I86 WeakPolarHBondContact O-CG1 3.38Å; V82-I86 PolarHBondContact O-N 2.98Å; V82-V104 HydrophobicContact CG2-CG1 3.78Å; V82-V104 HydrophobicContact CG2-CG2 4.13Å
83	Q	92.4	Very high	88.6	Confident	75 Å²	75	62.4 Å²	62.4	35%	0.35	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-44.4	178.3	-71.2	179.3	-43	0	0	112.3	L24 V79 K80 T85 I86 N87	L24-Q83 HydrophobicContact CD2-CG 3.55Å; V79-Q83 WeakPolarHBondContact O-CG 3.45Å; V79-Q83 PolarHBondContact O-N 3.17Å; K80-Q83 PolarHBondContact O-N 3.04Å; Q83-T85 VanDerWaalsContact C-N 3.29Å; Q83-T85 PolarHBondContact O-N 3.34Å; Q83-I86 PolarHBondContact O-N 3.28Å; Q83-N87 WeakPolarHBondContact O-CB 3.34Å; Q83-N87 VanDerWaalsContact O-CG 3.24Å; Q83-N87 PolarHBondContact O-N 3.33Å; Q83-N87 PolarHBondContact O-OD1 3.14Å
84	S	92.1	Very high	88.3	Confident	49 Å²	49	62.3 Å²	62.3	34%	0.343	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-34.9	177.5	-179.4	0	0	0	0	112.3	K80 V82 H88 K107	K80-S84 VanDerWaalsContact O-CB 3.24Å; K80-S84 WeakPolarHBondContact O-CB 3.37Å; K80-S84 PolarHBondContact O-N 3.43Å; V82-S84 PolarHBondContact O-N 2.87Å; S84-H88 WeakPolarHBondContact O-CB 3.34Å; S84-H88 PolarHBondContact O-N 3.1Å; S84-K107 PolarHBondContact OG-NZ 3.19Å
85	T	91.3	Very high	88.1	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-68.4	-46.9	175.1	-56.8	0	0	0	0	111.3	A81 V82 Q83 N87 H88 V89 L100 L103 V104 K107	A81-T85 WeakPolarHBondContact O-CB 3.5Å; A81-T85 PolarHBondContact O-N 2.91Å; A81-T85 PolarHBondContact O-OG1 2.96Å; V82-T85 PolarHBondContact O-N 3.33Å; V82-T85 VanDerWaalsContact O-N 3.16Å; Q83-T85 VanDerWaalsContact C-N 3.29Å; Q83-T85 PolarHBondContact O-N 3.34Å; T85-N87 VanDerWaalsContact C-N 3.34Å; T85-N87 PolarHBondContact O-N 3.46Å; T85-H88 PolarHBondContact O-N 3.18Å; T85-V89 HydrophobicContact CG2-CG2 4.49Å; T85-V89 WeakPolarHBondContact O-CG2 3.16Å; T85-V89 PolarHBondContact O-N 3.29Å; T85-L100 HydrophobicContact CG2-CD2 4.12Å; T85-L103 HydrophobicContact CG2-CB 3.7Å; T85-L103 HydrophobicContact CG2-CD1 4.24Å; T85-V104 HydrophobicContact CG2-CG2 4.02Å; T85-V104 WeakPolarHBondContact OG1-CG2 3.44Å; T85-K107 WeakPolarHBondContact OG1-CD 3.5Å
86	I	91	Very high	87.8	Confident	8 Å²	8	75.9 Å²	75.9	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-57.8	-48.9	177.5	-67.7	172.2	0	0	0	110.4	F17 V20 E21 V82 Q83 V89 K90	F17-I86 HydrophobicContact CB-CD1 4.39Å; F17-I86 HydrophobicContact CB-CG2 4.06Å; F17-I86 HydrophobicContact CD1-CB 4.31Å; F17-I86 HydrophobicContact CD1-CD1 4.21Å; F17-I86 HydrophobicContact CD1-CG1 3.65Å; F17-I86 HydrophobicContact CD1-CG2 4.03Å; F17-I86 HydrophobicContact CD2-CG2 3.94Å; F17-I86 HydrophobicContact CE1-CB 4.49Å; F17-I86 HydrophobicContact CE1-CG1 4.01Å; F17-I86 HydrophobicContact CE1-CG2 4.44Å; F17-I86 HydrophobicContact CE2-CG2 4.36Å; F17-I86 HydrophobicContact CG-CG1 4.18Å; F17-I86 HydrophobicContact CG-CG2 3.74Å; V20-I86 HydrophobicContact CB-CD1 4.32Å; V20-I86 HydrophobicContact CG1-CD1 3.83Å; E21-I86 HydrophobicContact CG-CD1 4.27Å; V82-I86 HydrophobicContact CG1-CD1 3.85Å; V82-I86 HydrophobicContact CG1-CG1 4.4Å; V82-I86 WeakPolarHBondContact O-CG1 3.38Å; V82-I86 PolarHBondContact O-N 2.98Å; Q83-I86 PolarHBondContact O-N 3.28Å; I86-V89 PolarHBondContact O-N 3.48Å; I86-K90 HydrophobicContact CG2-CD 3.85Å; I86-K90 VanDerWaalsContact CG2-CE 3.41Å; I86-K90 HydrophobicContact CG2-CG 4.34Å; I86-K90 WeakPolarHBondContact O-CB 3.35Å; I86-K90 VanDerWaalsContact O-CG 3.31Å; I86-K90 WeakPolarHBondContact O-CG 3.23Å; I86-K90 PolarHBondContact O-N 2.99Å
87	N	91.1	Very high	87.4	Confident	81 Å²	81	79.1 Å²	79.1	43%	0.433	37%	0.368	S	S	.	.	H	α-helix	trans	-62.2	-46.8	-179.4	-68.3	-7.5	0	0	0	111.5	Q83 T85 V89 K90 E91	Q83-N87 WeakPolarHBondContact O-CB 3.34Å; Q83-N87 VanDerWaalsContact O-CG 3.24Å; Q83-N87 PolarHBondContact O-N 3.33Å; Q83-N87 PolarHBondContact O-OD1 3.14Å; T85-N87 VanDerWaalsContact C-N 3.34Å; T85-N87 PolarHBondContact O-N 3.46Å; N87-V89 VanDerWaalsContact C-N 3.34Å; N87-V89 PolarHBondContact O-N 3.37Å; N87-K90 PolarHBondContact O-N 3.4Å; N87-E91 WeakPolarHBondContact O-CB 3.4Å; N87-E91 VanDerWaalsContact O-CG 3.32Å; N87-E91 WeakPolarHBondContact O-CG 3.42Å; N87-E91 PolarHBondContact O-N 3.14Å
88	H	88.8	Confident	87.2	Confident	57 Å²	57	79.7 Å²	79.7	26%	0.264	37%	0.374	S	S	.	.	H	α-helix	trans	-57.3	-44.4	177.1	173.9	91.8	0	0	0	112.3	S84 T85 E91 E92	S84-H88 WeakPolarHBondContact O-CB 3.34Å; S84-H88 PolarHBondContact O-N 3.1Å; T85-H88 PolarHBondContact O-N 3.18Å; H88-E91 PolarHBondContact O-N 2.96Å; H88-E92 IonicContact CE1-OE1 3.71Å; H88-E92 PolarHBondContact CE1-OE1 2.98Å; H88-E92 IonicContact CE1-OE2 3.29Å; H88-E92 PolarHBondContact CE1-OE2 3.4Å; H88-E92 VanDerWaalsContact CE1-OE2 3.3Å; H88-E92 IonicContact ND1-OE1 2.77Å; H88-E92 PolarHBondContact ND1-OE1 3.43Å; H88-E92 IonicContact NE2-OE1 3.31Å; H88-E92 IonicContact NE2-OE2 2.87Å; H88-E92 PolarHBondContact NE2-OE2 2.95Å; H88-E92 WeakPolarHBondContact O-CB 3.29Å; H88-E92 WeakPolarHBondContact O-CG 3.45Å; H88-E92 PolarHBondContact O-N 3.27Å
89	V	89.3	Confident	87.3	Confident	7 Å²	7	79.4 Å²	79.4	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-70.6	-36.3	178.5	176.7	0	0	0	0	112.2	I15 F17 T85 I86 N87 E91 R93 P94 P98 L100	I15-V89 HydrophobicContact CD1-CG1 3.77Å; F17-V89 HydrophobicContact CE2-CG1 4.45Å; F17-V89 HydrophobicContact CZ-CB 4.04Å; F17-V89 HydrophobicContact CZ-CG1 3.82Å; T85-V89 HydrophobicContact CG2-CG2 4.49Å; T85-V89 WeakPolarHBondContact O-CG2 3.16Å; T85-V89 PolarHBondContact O-N 3.29Å; I86-V89 PolarHBondContact O-N 3.48Å; N87-V89 VanDerWaalsContact C-N 3.34Å; N87-V89 PolarHBondContact O-N 3.37Å; V89-E91 VanDerWaalsContact C-N 3.32Å; V89-R93 PolarHBondContact O-N 3.04Å; V89-R93 VanDerWaalsContact O-N 3.15Å; V89-P94 HydrophobicContact CG1-CG 4.28Å; V89-P94 WeakPolarHBondContact O-CD 3.03Å; V89-P98 HydrophobicContact CG2-CG 3.86Å; V89-L100 HydrophobicContact CG2-CD2 3.76Å
90	K	87.6	Confident	87.2	Confident	93 Å²	93	81.7 Å²	81.7	40%	0.404	39%	0.391	S	S	.	.	H	α-helix	trans	-64	-37.7	174.6	-76.2	177.6	179.8	173.2	0	111.9	F17 E21 I86 N87 R93	F17-K90 HydrophobicContact CD2-CD 4.44Å; F17-K90 HydrophobicContact CD2-CG 4.12Å; F17-K90 HydrophobicContact CE2-CG 3.89Å; E21-K90 IonicContact OE1-NZ 2.91Å; E21-K90 PolarHBondContact OE1-NZ 2.96Å; I86-K90 HydrophobicContact CG2-CD 3.85Å; I86-K90 VanDerWaalsContact CG2-CE 3.41Å; I86-K90 HydrophobicContact CG2-CG 4.34Å; I86-K90 WeakPolarHBondContact O-CB 3.35Å; I86-K90 VanDerWaalsContact O-CG 3.31Å; I86-K90 WeakPolarHBondContact O-CG 3.23Å; I86-K90 PolarHBondContact O-N 2.99Å; N87-K90 PolarHBondContact O-N 3.4Å; K90-R93 VanDerWaalsContact O-CG 3.3Å; K90-R93 WeakPolarHBondContact O-CG 3.32Å
91	E	87.3	Confident	86.9	Confident	152 Å²	152	83.9 Å²	83.9	71%	0.71	40%	0.4	S	S	*	.	H	α-helix	trans	-78.1	-51.7	-178.8	-73.8	170	-168.3	0	0	112.4	N87 H88 V89 R93	N87-E91 WeakPolarHBondContact O-CB 3.4Å; N87-E91 VanDerWaalsContact O-CG 3.32Å; N87-E91 WeakPolarHBondContact O-CG 3.42Å; N87-E91 PolarHBondContact O-N 3.14Å; H88-E91 PolarHBondContact O-N 2.96Å; V89-E91 VanDerWaalsContact C-N 3.32Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 2.72Å
92	E	85.6	Confident	86.9	Confident	125 Å²	125	87.4 Å²	87.4	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-73.8	-21	-176.1	-67.8	-167.8	175.2	0	0	113.2	H88 P94	H88-E92 IonicContact CE1-OE1 3.71Å; H88-E92 PolarHBondContact CE1-OE1 2.98Å; H88-E92 IonicContact CE1-OE2 3.29Å; H88-E92 PolarHBondContact CE1-OE2 3.4Å; H88-E92 VanDerWaalsContact CE1-OE2 3.3Å; H88-E92 IonicContact ND1-OE1 2.77Å; H88-E92 PolarHBondContact ND1-OE1 3.43Å; H88-E92 IonicContact NE2-OE1 3.31Å; H88-E92 IonicContact NE2-OE2 2.87Å; H88-E92 PolarHBondContact NE2-OE2 2.95Å; H88-E92 WeakPolarHBondContact O-CB 3.29Å; H88-E92 WeakPolarHBondContact O-CG 3.45Å; H88-E92 PolarHBondContact O-N 3.27Å; E92-P94 VanDerWaalsContact C-N 3.34Å
93	R	82.3	Confident	86.9	Confident	209 Å²	209	88.9 Å²	88.9	79%	0.789	43%	0.426	S	S	*	.			trans	40.6	58.7	-177.9	-63.2	-172.2	177.4	174.8	-0.8	112.1	V89 K90 E91 E95	V89-R93 PolarHBondContact O-N 3.04Å; V89-R93 VanDerWaalsContact O-N 3.15Å; K90-R93 VanDerWaalsContact O-CG 3.3Å; K90-R93 WeakPolarHBondContact O-CG 3.32Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 2.72Å; R93-E95 PolarHBondContact O-N 3.06Å
94	P	79.6	Confident	86.7	Confident	49 Å²	49	86.4 Å²	86.4	32%	0.318	42%	0.416	S	S	.	.			trans	-62	139.9	-170.1	27.3	-36.1	0	0	0	111.1	V89 E92 K96 P98	V89-P94 HydrophobicContact CG1-CG 4.28Å; V89-P94 WeakPolarHBondContact O-CD 3.03Å; E92-P94 VanDerWaalsContact C-N 3.34Å; P94-K96 WeakPolarHBondContact CB-O 3.48Å; P94-K96 PolarHBondContact O-N 3.31Å; P94-P98 HydrophobicContact CG-CG 4.1Å
95	E	80.9	Confident	86.4	Confident	201 Å²	201	88.7 Å²	88.7	94%	0.939	42%	0.421	S	S	*	.	S	Bend	trans	-61.1	-28.1	179.4	-64.9	180	172.3	0	0	112.6	R93	R93-E95 PolarHBondContact O-N 3.06Å
96	K	82.3	Confident	86.3	Confident	175 Å²	175	94.6 Å²	94.6	76%	0.761	45%	0.447	S	S	*	.	S	Bend	trans	-117	136.3	174.2	-65.5	179.8	-177.1	176	0	109.3	P94 P98	P94-K96 WeakPolarHBondContact CB-O 3.48Å; P94-K96 PolarHBondContact O-N 3.31Å; K96-P98 VanDerWaalsContact O-CD 3.3Å; K96-P98 WeakPolarHBondContact O-CD 3.43Å; K96-P98 VanDerWaalsContact O-N 3.16Å
97	I	80.4	Confident	86.2	Confident	115 Å²	115	96.8 Å²	96.8	59%	0.59	46%	0.456	S	S	*	.			trans	-60	118.4	175.7	-60.7	177.6	0	0	0	108.4	I15	I15-I97 HydrophobicContact CD1-CB 4.41Å; I15-I97 HydrophobicContact CD1-CG1 4.13Å; I15-I97 HydrophobicContact CD1-CG2 3.91Å; I15-I97 HydrophobicContact CG1-CD1 4.42Å; I15-I97 HydrophobicContact CG1-CG1 4.27Å
98	P	84.3	Confident	86	Confident	38 Å²	38	94.8 Å²	94.8	25%	0.247	44%	0.443	C	S	.	.			trans	-77.7	162.4	-179.9	32.1	-34.4	0	0	0	111.1	V89 P94 K96 L100 L103	V89-P98 HydrophobicContact CG2-CG 3.86Å; P94-P98 HydrophobicContact CG-CG 4.1Å; K96-P98 VanDerWaalsContact O-CD 3.3Å; K96-P98 WeakPolarHBondContact O-CD 3.43Å; K96-P98 VanDerWaalsContact O-N 3.16Å; P98-L100 HydrophobicContact CG-CD2 4.2Å; P98-L100 PolarHBondContact O-N 2.81Å; P98-L103 HydrophobicContact CB-CD1 3.8Å; P98-L103 HydrophobicContact CG-CD1 4Å
99	D	88.6	Confident	85.9	Confident	96 Å²	96	96.5 Å²	96.5	51%	0.513	45%	0.454	S	S	.	.			trans	-70.3	94.6	170.2	-174	-17.2	0	0	0	110	K101 L102 L103	D99-K101 VanDerWaalsContact C-N 3.26Å; D99-K101 PolarHBondContact O-N 3.45Å; D99-K101 WeakPolarHBondContact OD1-CB 3.48Å; D99-K101 PolarHBondContact OD1-N 3.5Å; D99-L102 HydrophobicContact CB-CB 3.95Å; D99-L102 VanDerWaalsContact CG-CB 3.47Å; D99-L102 PolarHBondContact O-N 3.27Å; D99-L102 PolarHBondContact OD1-N 3.06Å; D99-L103 PolarHBondContact O-N 2.96Å
100	L	86.9	Confident	85.9	Confident	55 Å²	55	98.4 Å²	98.4	29%	0.288	47%	0.471	S	S	.	.	H	α-helix	trans	-61.2	-35.9	-179.5	-62.6	178.4	0	0	0	112	I15 F17 T85 V89 P98 L103 V104	I15-L100 HydrophobicContact CG2-CD1 4.47Å; F17-L100 HydrophobicContact CE1-CD1 4.26Å; T85-L100 HydrophobicContact CG2-CD2 4.12Å; V89-L100 HydrophobicContact CG2-CD2 3.76Å; P98-L100 HydrophobicContact CG-CD2 4.2Å; P98-L100 PolarHBondContact O-N 2.81Å; L100-L103 PolarHBondContact O-N 3.48Å; L100-V104 VanDerWaalsContact O-CG2 3.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.39Å; L100-V104 PolarHBondContact O-N 3.49Å
101	K	86.2	Confident	85.7	Confident	165 Å²	165	96.4 Å²	96.4	72%	0.717	46%	0.464	S	S	*	.	H	α-helix	trans	-65.8	-49.1	-179.5	-176.3	-173.3	175.7	-172.8	0	109.8	D99 L103 V104 E105	D99-K101 VanDerWaalsContact C-N 3.26Å; D99-K101 PolarHBondContact O-N 3.45Å; D99-K101 WeakPolarHBondContact OD1-CB 3.48Å; D99-K101 PolarHBondContact OD1-N 3.5Å; K101-L103 VanDerWaalsContact C-N 3.31Å; K101-L103 PolarHBondContact O-N 3.38Å; K101-V104 PolarHBondContact O-N 2.93Å; K101-E105 WeakPolarHBondContact O-CB 3.25Å; K101-E105 PolarHBondContact O-N 3.31Å
102	L	88.5	Confident	85.3	Confident	74 Å²	74	91.6 Å²	91.6	39%	0.387	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-38.4	178.8	-176	65.1	0	0	0	112.1	D99 E105 K106	D99-L102 HydrophobicContact CB-CB 3.95Å; D99-L102 VanDerWaalsContact CG-CB 3.47Å; D99-L102 PolarHBondContact O-N 3.27Å; D99-L102 PolarHBondContact OD1-N 3.06Å; L102-E105 PolarHBondContact O-N 3.45Å; L102-K106 HydrophobicContact CG-CD 4.32Å; L102-K106 WeakPolarHBondContact O-CB 3.32Å; L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.42Å; L102-K106 PolarHBondContact O-N 3.41Å
103	L	88.4	Confident	85	Confident	40 Å²	40	90.2 Å²	90.2	21%	0.209	45%	0.446	C	S	.	.	H	α-helix	trans	-64.1	-46	176.4	-82.8	164	0	0	0	112.4	T85 P98 D99 L100 K101 K106 K107	T85-L103 HydrophobicContact CG2-CB 3.7Å; T85-L103 HydrophobicContact CG2-CD1 4.24Å; P98-L103 HydrophobicContact CB-CD1 3.8Å; P98-L103 HydrophobicContact CG-CD1 4Å; D99-L103 PolarHBondContact O-N 2.96Å; L100-L103 PolarHBondContact O-N 3.48Å; K101-L103 VanDerWaalsContact C-N 3.31Å; K101-L103 PolarHBondContact O-N 3.38Å; L103-K106 PolarHBondContact O-N 3.01Å; L103-K107 WeakPolarHBondContact O-CG 3.38Å; L103-K107 PolarHBondContact O-N 2.97Å
104	V	88.5	Confident	84.7	Confident	22 Å²	22	88.2 Å²	88.2	13%	0.133	44%	0.443	C	S	.	.	H	α-helix	trans	-61.5	-46.4	176	171.3	0	0	0	0	110.3	Y78 A81 V82 T85 L100 K101 K106 K107 F108	Y78-V104 HydrophobicContact CD2-CG1 4.44Å; Y78-V104 HydrophobicContact CE2-CG1 4.03Å; A81-V104 HydrophobicContact CB-CG1 4.22Å; V82-V104 HydrophobicContact CG2-CG1 3.78Å; V82-V104 HydrophobicContact CG2-CG2 4.13Å; T85-V104 HydrophobicContact CG2-CG2 4.02Å; T85-V104 WeakPolarHBondContact OG1-CG2 3.44Å; L100-V104 VanDerWaalsContact O-CG2 3.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.39Å; L100-V104 PolarHBondContact O-N 3.49Å; K101-V104 PolarHBondContact O-N 2.93Å; V104-K106 PolarHBondContact O-N 3.01Å; V104-K107 PolarHBondContact O-N 3.4Å; V104-F108 VanDerWaalsContact O-CB 3.23Å; V104-F108 WeakPolarHBondContact O-CB 3.44Å; V104-F108 PolarHBondContact O-N 3.31Å
105	E	84.6	Confident	84.3	Confident	97 Å²	97	87.8 Å²	87.8	45%	0.453	44%	0.438	S	S	.	.	H	α-helix	trans	-60.7	-46.7	179.9	-174.5	172.6	-170.6	0	0	111.9	K101 L102 K107 F108 L109	K101-E105 WeakPolarHBondContact O-CB 3.25Å; K101-E105 PolarHBondContact O-N 3.31Å; L102-E105 PolarHBondContact O-N 3.45Å; E105-K107 PolarHBondContact O-N 2.98Å; E105-F108 PolarHBondContact O-N 2.88Å; E105-L109 HydrophobicContact CG-CD1 4.05Å; E105-L109 HydrophobicContact CG-CG 4.47Å; E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 WeakPolarHBondContact O-CG 3.42Å; E105-L109 PolarHBondContact O-N 2.88Å
106	K	89.4	Confident	83.4	Confident	127 Å²	127	81.2 Å²	81.2	55%	0.552	41%	0.414	S	S	*	.	H	α-helix	trans	-58.9	-46.8	175.8	-76.8	176.6	177.9	177.5	0	112.2	L102 L103 V104 A110	L102-K106 HydrophobicContact CG-CD 4.32Å; L102-K106 WeakPolarHBondContact O-CB 3.32Å; L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.42Å; L102-K106 PolarHBondContact O-N 3.41Å; L103-K106 PolarHBondContact O-N 3.01Å; V104-K106 PolarHBondContact O-N 3.01Å; K106-A110 VanDerWaalsContact O-CB 3.32Å; K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 3.24Å
107	K	90.3	Very high	82.3	Confident	54 Å²	54	79.1 Å²	79.1	24%	0.235	41%	0.411	C	S	.	.	H	α-helix	trans	-66.4	-38.7	178.6	-73.1	173.6	-175.5	-84.6	0	111.6	A81 S84 T85 L103 V104 E105 A110 L111	A81-K107 HydrophobicContact CB-CB 3.94Å; S84-K107 PolarHBondContact OG-NZ 3.19Å; T85-K107 WeakPolarHBondContact OG1-CD 3.5Å; L103-K107 WeakPolarHBondContact O-CG 3.38Å; L103-K107 PolarHBondContact O-N 2.97Å; V104-K107 PolarHBondContact O-N 3.4Å; E105-K107 PolarHBondContact O-N 2.98Å; K107-A110 PolarHBondContact O-N 3.04Å; K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 3.01Å
108	F	86.6	Confident	81	Confident	40 Å²	40	76.5 Å²	76.5	18%	0.175	41%	0.406	C	S	.	.	H	α-helix	trans	-65.2	-47.6	177.1	-179.9	-116.4	0	0	0	111.7	Q74 H77 A81 V104 E105 A110 L111 Q112	Q74-F108 WeakPolarHBondContact O-CE2 3.23Å; H77-F108 HydrophobicContact CB-CD2 3.84Å; H77-F108 HydrophobicContact CB-CE2 3.69Å; A81-F108 HydrophobicContact CB-CB 3.9Å; V104-F108 VanDerWaalsContact O-CB 3.23Å; V104-F108 WeakPolarHBondContact O-CB 3.44Å; V104-F108 PolarHBondContact O-N 3.31Å; E105-F108 PolarHBondContact O-N 2.88Å; F108-A110 VanDerWaalsContact C-N 3.33Å; F108-A110 PolarHBondContact O-N 3.47Å; F108-L111 WeakPolarHBondContact O-CB 3.48Å; F108-L111 PolarHBondContact O-N 2.95Å; F108-Q112 HydrophobicContact CE1-CG 4.32Å; F108-Q112 HydrophobicContact CE2-CG 4.24Å; F108-Q112 HydrophobicContact CZ-CG 4.1Å; F108-Q112 WeakPolarHBondContact O-CG 3.49Å; F108-Q112 PolarHBondContact O-N 3.33Å
109	L	86.4	Confident	79.6	Confident	93 Å²	93	77.6 Å²	77.6	49%	0.487	41%	0.41	S	S	.	.	H	α-helix	trans	-61.6	-39.9	175.5	-70.8	172.9	0	0	0	111.9	E105 L111 Q112 S113	E105-L109 HydrophobicContact CG-CD1 4.05Å; E105-L109 HydrophobicContact CG-CG 4.47Å; E105-L109 WeakPolarHBondContact O-CB 3.47Å; E105-L109 WeakPolarHBondContact O-CG 3.42Å; E105-L109 PolarHBondContact O-N 2.88Å; L109-L111 VanDerWaalsContact C-N 3.31Å; L109-L111 PolarHBondContact O-N 2.98Å; L109-Q112 PolarHBondContact O-N 3.43Å; L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.39Å; L109-S113 PolarHBondContact O-OG 2.98Å
110	A	88.5	Confident	77.9	Confident	47 Å²	47	74.5 Å²	74.5	39%	0.388	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-29.6	176.1	0	0	0	0	0	113.5	K106 K107 F108 S113 K114	K106-A110 VanDerWaalsContact O-CB 3.32Å; K106-A110 WeakPolarHBondContact O-CB 3.31Å; K106-A110 PolarHBondContact O-N 3.24Å; K107-A110 PolarHBondContact O-N 3.04Å; F108-A110 VanDerWaalsContact C-N 3.33Å; F108-A110 PolarHBondContact O-N 3.47Å; A110-S113 PolarHBondContact O-OG 3.04Å; A110-K114 WeakPolarHBondContact O-CG 3.42Å
111	L	83.9	Confident	76.3	Confident	50 Å²	50	78 Å²	78	26%	0.262	41%	0.407	S	S	.	.	H	α-helix	trans	-71.6	-43	170.2	-72.6	167.8	0	0	0	110.4	H77 K80 A81 K107 F108 L109 K114 N115	H77-L111 HydrophobicContact CB-CB 4.1Å; H77-L111 HydrophobicContact CB-CD1 4.14Å; H77-L111 WeakPolarHBondContact O-CD1 3.43Å; K80-L111 HydrophobicContact CB-CD1 4Å; A81-L111 HydrophobicContact CB-CD1 4.32Å; K107-L111 WeakPolarHBondContact O-CG 3.43Å; K107-L111 PolarHBondContact O-N 3.01Å; F108-L111 WeakPolarHBondContact O-CB 3.48Å; F108-L111 PolarHBondContact O-N 2.95Å; L109-L111 VanDerWaalsContact C-N 3.31Å; L109-L111 PolarHBondContact O-N 2.98Å; L111-K114 PolarHBondContact O-N 3.35Å; L111-N115 PolarHBondContact O-OD1 3.22Å
112	Q	79.1	Confident	74.8	Confident	52 Å²	52	76.2 Å²	76.2	24%	0.243	41%	0.405	C	S	.	.	H	α-helix	trans	-67	-35.8	178.6	-71.2	-168	100.1	0	0	113.7	F108 L109 K114 N115	F108-Q112 HydrophobicContact CE1-CG 4.32Å; F108-Q112 HydrophobicContact CE2-CG 4.24Å; F108-Q112 HydrophobicContact CZ-CG 4.1Å; F108-Q112 WeakPolarHBondContact O-CG 3.49Å; F108-Q112 PolarHBondContact O-N 3.33Å; L109-Q112 PolarHBondContact O-N 3.43Å; Q112-K114 PolarHBondContact O-N 3.48Å; Q112-N115 WeakPolarHBondContact O-CB 3.39Å; Q112-N115 PolarHBondContact O-N 3.17Å; Q112-N115 PolarHBondContact O-ND2 3.09Å
113	S	78.5	Confident	73.7	Confident	96 Å²	96	74 Å²	74	67%	0.671	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.8	180	69.5	0	0	0	0	113.3	L109 A110	L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.39Å; L109-S113 PolarHBondContact O-OG 2.98Å; A110-S113 PolarHBondContact O-OG 3.04Å
114	K	76.3	Confident	73.1	Confident	166 Å²	166	78.8 Å²	78.8	72%	0.722	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.9	174.9	-65.6	176.8	-177.1	-177.8	0	112.7	A110 L111 Q112 S116	A110-K114 WeakPolarHBondContact O-CG 3.42Å; L111-K114 PolarHBondContact O-N 3.35Å; Q112-K114 PolarHBondContact O-N 3.48Å; K114-S116 PolarHBondContact O-N 3.45Å
115	N	71.7	Confident	72.4	Confident	40 Å²	40	80.5 Å²	80.5	21%	0.214	42%	0.421	C	S	.	.			trans	-65.9	131	177.8	-67.4	-10.1	0	0	0	109.9	R73 H77 L111 Q112	R73-N115 VanDerWaalsContact CZ-ND2 3.34Å; R73-N115 PolarHBondContact NE-ND2 2.9Å; H77-N115 PolarHBondContact CE1-OD1 3Å; L111-N115 PolarHBondContact O-OD1 3.22Å; Q112-N115 WeakPolarHBondContact O-CB 3.39Å; Q112-N115 PolarHBondContact O-N 3.17Å; Q112-N115 PolarHBondContact O-ND2 3.09Å
116	S	62.3	Low	71.7	Confident	64 Å²	64	76.8 Å²	76.8	45%	0.448	40%	0.403	S	S	.	.			trans	-110.4	152.6	164.5	-178.1	0	0	0	0	109.3	K114 A118 D119	K114-S116 PolarHBondContact O-N 3.45Å; S116-A118 PolarHBondContact O-N 3.09Å; S116-A118 VanDerWaalsContact O-N 3.15Å; S116-A118 PolarHBondContact OG-N 3.23Å; S116-D119 PolarHBondContact N-OD2 2.91Å; S116-D119 WeakPolarHBondContact O-CB 3.23Å; S116-D119 PolarHBondContact O-N 2.99Å
117	D	59.2	Low	71.1	Confident	131 Å²	131	73.5 Å²	73.5	70%	0.701	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-60.5	-20	170.1	-79	-17.2	0	0	0	112	D119 F120	D117-D119 PolarHBondContact O-N 3.4Å; D117-F120 HydrophobicContact CB-CD2 4.35Å; D117-F120 WeakPolarHBondContact O-CB 3.36Å; D117-F120 WeakPolarHBondContact O-CD2 3.4Å; D117-F120 PolarHBondContact O-N 3.16Å; D117-F120 WeakPolarHBondContact OD1-CE2 3.48Å
118	A	52.7	Low	70.6	Confident	59 Å²	59	75.4 Å²	75.4	49%	0.488	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24	171.1	0	0	0	0	0	113	S116 F120 Q121	S116-A118 PolarHBondContact O-N 3.09Å; S116-A118 VanDerWaalsContact O-N 3.15Å; S116-A118 PolarHBondContact OG-N 3.23Å; A118-F120 PolarHBondContact O-N 2.96Å; A118-Q121 VanDerWaalsContact O-CB 3.3Å; A118-Q121 WeakPolarHBondContact O-CB 3.31Å; A118-Q121 PolarHBondContact O-N 2.9Å; A118-Q121 VanDerWaalsContact O-N 3.11Å
119	D	55.7	Low	70.1	Confident	61 Å²	61	73.5 Å²	73.5	33%	0.326	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-71.3	-19.4	179.6	-62.7	-45.2	0	0	0	112.9	S116 D117 Q121 N122	S116-D119 PolarHBondContact N-OD2 2.91Å; S116-D119 WeakPolarHBondContact O-CB 3.23Å; S116-D119 PolarHBondContact O-N 2.99Å; D117-D119 PolarHBondContact O-N 3.4Å; D119-Q121 PolarHBondContact O-N 2.99Å; D119-N122 WeakPolarHBondContact O-CB 3.43Å; D119-N122 PolarHBondContact O-N 3.41Å
120	F	53	Low	69.7	Low	31 Å²	31	73.7 Å²	73.7	14%	0.136	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-64.2	-26.8	170.9	-70.9	-73.5	0	0	0	112.1	V66 A69 T70 D117 A118 N122 N123 F126	V66-F120 HydrophobicContact CG1-CE1 4.06Å; V66-F120 HydrophobicContact CG1-CZ 4.35Å; A69-F120 HydrophobicContact CB-CD1 4.13Å; A69-F120 HydrophobicContact CB-CE1 4.37Å; T70-F120 VanDerWaalsContact OG1-CE1 3.26Å; T70-F120 WeakPolarHBondContact OG1-CE1 3.43Å; T70-F120 WeakPolarHBondContact OG1-CZ 3.45Å; D117-F120 HydrophobicContact CB-CD2 4.35Å; D117-F120 WeakPolarHBondContact O-CB 3.36Å; D117-F120 WeakPolarHBondContact O-CD2 3.4Å; D117-F120 PolarHBondContact O-N 3.16Å; D117-F120 WeakPolarHBondContact OD1-CE2 3.48Å; A118-F120 PolarHBondContact O-N 2.96Å; F120-N122 PolarHBondContact O-N 2.87Å; F120-N123 PolarHBondContact O-N 3.16Å; F120-F126 WeakPolarHBondContact O-CD1 3.44Å
121	Q	53.1	Low	69.4	Low	128 Å²	128	76.4 Å²	76.4	60%	0.598	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-74.1	-8.2	174	-58.9	-71.7	-34.1	0	0	112.8	A118 D119 V127	A118-Q121 VanDerWaalsContact O-CB 3.3Å; A118-Q121 WeakPolarHBondContact O-CB 3.31Å; A118-Q121 PolarHBondContact O-N 2.9Å; A118-Q121 VanDerWaalsContact O-N 3.11Å; D119-Q121 PolarHBondContact O-N 2.99Å; Q121-V127 WeakPolarHBondContact O-CG2 3.4Å
122	N	55	Low	69	Low	128 Å²	128	78.5 Å²	78.5	68%	0.684	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-97.2	-10.3	177.5	-68.2	-33.5	0	0	0	112.9	D119 F120 E124	D119-N122 WeakPolarHBondContact O-CB 3.43Å; D119-N122 PolarHBondContact O-N 3.41Å; F120-N122 PolarHBondContact O-N 2.87Å; N122-E124 PolarHBondContact O-N 2.78Å; N122-E124 VanDerWaalsContact O-N 3.13Å
123	N	65.6	Low	68.8	Low	29 Å²	29	76.5 Å²	76.5	16%	0.155	40%	0.396	C	S	.	.			trans	-75.3	104.2	171.5	-174.6	-59.6	0	0	0	108.6	M38 A69 F120 K125 F126 V127	M38-N123 WeakPolarHBondContact CE-OD1 3.35Å; A69-N123 HydrophobicContact CB-CB 4.48Å; F120-N123 PolarHBondContact O-N 3.16Å; N123-K125 PolarHBondContact O-N 3.47Å; N123-K125 WeakPolarHBondContact OD1-CB 3.31Å; N123-K125 PolarHBondContact OD1-N 3.38Å; N123-F126 HydrophobicContact CB-CB 4Å; N123-F126 WeakPolarHBondContact O-CB 3.32Å; N123-F126 PolarHBondContact O-N 2.93Å; N123-F126 PolarHBondContact OD1-N 2.94Å; N123-F126 VanDerWaalsContact OD1-N 3.1Å; N123-V127 PolarHBondContact O-N 3.43Å
124	E	74.8	Confident	68.8	Low	140 Å²	140	78.7 Å²	78.7	65%	0.654	39%	0.394	S	S	*	.	H	α-helix	trans	-52.7	-40.7	-174.4	-168.9	-179.5	178.7	0	0	112.3	N122 V127 Q128	N122-E124 PolarHBondContact O-N 2.78Å; N122-E124 VanDerWaalsContact O-N 3.13Å; E124-V127 PolarHBondContact O-N 3.49Å; E124-Q128 WeakPolarHBondContact O-CB 3.35Å; E124-Q128 VanDerWaalsContact O-CG 3.25Å; E124-Q128 WeakPolarHBondContact O-CG 3.35Å; E124-Q128 PolarHBondContact O-N 3.16Å; E124-Q128 PolarHBondContact OE1-NE2 3.3Å
125	K	73.1	Confident	68.8	Low	57 Å²	57	74.4 Å²	74.4	25%	0.248	38%	0.376	C	S	.	.	H	α-helix	trans	-67	-39.1	178.1	-67.4	-166.6	174.9	-156.3	0	112.5	N35 M38 D39 N123 F129	N35-K125 PolarHBondContact O-NZ 3.37Å; M38-K125 HydrophobicContact CB-CD 4.35Å; M38-K125 HydrophobicContact CE-CB 4Å; M38-K125 HydrophobicContact SD-CB 4.48Å; M38-K125 HydrophobicContact SD-CD 4.43Å; D39-K125 IonicContact OD1-NZ 3.3Å; D39-K125 PolarHBondContact OD1-NZ 3.28Å; D39-K125 IonicContact OD2-NZ 2.72Å; D39-K125 PolarHBondContact OD2-NZ 3.01Å; N123-K125 PolarHBondContact O-N 3.47Å; N123-K125 WeakPolarHBondContact OD1-CB 3.31Å; N123-K125 PolarHBondContact OD1-N 3.38Å; K125-F129 VanDerWaalsContact O-CB 3.23Å; K125-F129 WeakPolarHBondContact O-CB 3.24Å; K125-F129 PolarHBondContact O-N 3.41Å
126	F	70.9	Confident	68.4	Low	19 Å²	19	73.7 Å²	73.7	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-65.6	-42.3	175.7	-176.3	-103.5	0	0	0	111.9	M65 V66 F120 N123 F129 K130	M65-F126 HydrophobicContact CB-CD2 3.99Å; M65-F126 HydrophobicContact CB-CE2 4.17Å; V66-F126 HydrophobicContact CG2-CE2 3.72Å; V66-F126 HydrophobicContact CG2-CZ 3.95Å; F120-F126 WeakPolarHBondContact O-CD1 3.44Å; N123-F126 HydrophobicContact CB-CB 4Å; N123-F126 WeakPolarHBondContact O-CB 3.32Å; N123-F126 PolarHBondContact O-N 2.93Å; N123-F126 PolarHBondContact OD1-N 2.94Å; N123-F126 VanDerWaalsContact OD1-N 3.1Å; F126-F129 WeakPolarHBondContact O-CB 3.35Å; F126-F129 PolarHBondContact O-N 2.89Å; F126-K130 HydrophobicContact CD1-CG 4.37Å; F126-K130 HydrophobicContact CE1-CG 4Å; F126-K130 HydrophobicContact CE2-CG 4.5Å; F126-K130 HydrophobicContact CZ-CD 4.15Å; F126-K130 HydrophobicContact CZ-CG 4.08Å; F126-K130 WeakPolarHBondContact O-CG 3.38Å; F126-K130 PolarHBondContact O-N 3.36Å
127	V	77.6	Confident	68.5	Low	59 Å²	59	76 Å²	76	36%	0.358	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-47	176.8	176	0	0	0	0	111.1	Q121 N123 E124 F129 K130 Q131	Q121-V127 WeakPolarHBondContact O-CG2 3.4Å; N123-V127 PolarHBondContact O-N 3.43Å; E124-V127 PolarHBondContact O-N 3.49Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 2.93Å; V127-K130 PolarHBondContact O-N 3.32Å; V127-Q131 WeakPolarHBondContact O-CB 3.39Å; V127-Q131 PolarHBondContact O-N 3.33Å
128	Q	79.8	Confident	69	Low	94 Å²	94	76.1 Å²	76.1	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-46.7	176.8	-75.6	176.5	8	0	0	111.1	E124 K130 Q131 Q132	E124-Q128 WeakPolarHBondContact O-CB 3.35Å; E124-Q128 VanDerWaalsContact O-CG 3.25Å; E124-Q128 WeakPolarHBondContact O-CG 3.35Å; E124-Q128 PolarHBondContact O-N 3.16Å; E124-Q128 PolarHBondContact OE1-NE2 3.3Å; Q128-K130 PolarHBondContact O-N 3.21Å; Q128-Q131 PolarHBondContact O-N 3.29Å; Q128-Q132 WeakPolarHBondContact O-CG 3.45Å; Q128-Q132 PolarHBondContact O-N 3.3Å
129	F	75.2	Confident	69.4	Low	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-56.2	-49.9	175.5	165.8	-104.5	0	0	0	112.8	A45 D62 M65 K125 F126 V127 Q131 Q132 L133	A45-F129 HydrophobicContact CB-CE2 3.56Å; A45-F129 HydrophobicContact CB-CZ 4.09Å; D62-F129 WeakPolarHBondContact OD1-CE1 3.3Å; D62-F129 WeakPolarHBondContact OD1-CZ 3.41Å; M65-F129 HydrophobicContact CB-CD1 4.37Å; M65-F129 HydrophobicContact CB-CE1 4.2Å; M65-F129 HydrophobicContact CE-CB 3.74Å; M65-F129 HydrophobicContact CE-CD1 4.18Å; M65-F129 HydrophobicContact CE-CD2 4.35Å; M65-F129 HydrophobicContact CE-CG 3.85Å; M65-F129 HydrophobicContact CG-CD1 4.07Å; M65-F129 HydrophobicContact CG-CD2 4.44Å; M65-F129 HydrophobicContact CG-CE1 3.91Å; M65-F129 HydrophobicContact CG-CE2 4.27Å; M65-F129 HydrophobicContact CG-CG 4.31Å; M65-F129 HydrophobicContact CG-CZ 3.99Å; K125-F129 VanDerWaalsContact O-CB 3.23Å; K125-F129 WeakPolarHBondContact O-CB 3.24Å; K125-F129 PolarHBondContact O-N 3.41Å; F126-F129 WeakPolarHBondContact O-CB 3.35Å; F126-F129 PolarHBondContact O-N 2.89Å; V127-F129 VanDerWaalsContact C-N 3.33Å; V127-F129 PolarHBondContact O-N 2.93Å; F129-Q131 VanDerWaalsContact C-N 3.27Å; F129-Q131 PolarHBondContact O-N 3.14Å; F129-Q132 PolarHBondContact O-N 3.29Å; F129-L133 HydrophobicContact CD1-CD1 4.23Å; F129-L133 HydrophobicContact CD2-CD1 4.26Å; F129-L133 HydrophobicContact CD2-CG 4.4Å; F129-L133 HydrophobicContact CE1-CD1 3.6Å; F129-L133 HydrophobicContact CE2-CD1 3.65Å; F129-L133 HydrophobicContact CE2-CG 4.06Å; F129-L133 HydrophobicContact CZ-CD1 3.28Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 PolarHBondContact O-N 2.87Å
130	K	78	Confident	69.4	Low	96 Å²	96	77.9 Å²	77.9	42%	0.417	37%	0.37	S	S	.	.	H	α-helix	trans	-61.2	-37.4	177.7	-69.3	-65.4	-67.7	-171.7	0	112	D62 F126 V127 Q128 K134	D62-K130 IonicContact OD2-NZ 3.91Å; F126-K130 HydrophobicContact CD1-CG 4.37Å; F126-K130 HydrophobicContact CE1-CG 4Å; F126-K130 HydrophobicContact CE2-CG 4.5Å; F126-K130 HydrophobicContact CZ-CD 4.15Å; F126-K130 HydrophobicContact CZ-CG 4.08Å; F126-K130 WeakPolarHBondContact O-CG 3.38Å; F126-K130 PolarHBondContact O-N 3.36Å; V127-K130 PolarHBondContact O-N 3.32Å; Q128-K130 PolarHBondContact O-N 3.21Å; K130-K134 WeakPolarHBondContact O-CB 3.38Å; K130-K134 PolarHBondContact O-N 3.31Å; K130-K134 VanDerWaalsContact O-N 3.1Å
131	Q	81.4	Confident	69.4	Low	105 Å²	105	83.2 Å²	83.2	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-69.2	-44.5	178.1	-175.1	61	26.2	0	0	111.7	V127 Q128 F129 K134 E135	V127-Q131 WeakPolarHBondContact O-CB 3.39Å; V127-Q131 PolarHBondContact O-N 3.33Å; Q128-Q131 PolarHBondContact O-N 3.29Å; F129-Q131 VanDerWaalsContact C-N 3.27Å; F129-Q131 PolarHBondContact O-N 3.14Å; Q131-K134 WeakPolarHBondContact O-CB 3.38Å; Q131-K134 PolarHBondContact O-N 3.37Å; Q131-E135 PolarHBondContact O-N 3.43Å
132	Q	76.3	Confident	69.7	Low	93 Å²	93	80.9 Å²	80.9	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-46.2	176.1	-73.8	175.4	-43.5	0	0	111.3	L46 Q128 F129 K134 E135 L136	L46-Q132 HydrophobicContact CD2-CB 4.24Å; Q128-Q132 WeakPolarHBondContact O-CG 3.45Å; Q128-Q132 PolarHBondContact O-N 3.3Å; F129-Q132 PolarHBondContact O-N 3.29Å; Q132-K134 VanDerWaalsContact C-N 3.29Å; Q132-K134 PolarHBondContact O-N 3.35Å; Q132-E135 PolarHBondContact O-N 2.99Å; Q132-L136 WeakPolarHBondContact O-CB 3.4Å; Q132-L136 PolarHBondContact O-N 3.4Å
133	L	74	Confident	69.7	Low	10 Å²	10	78.8 Å²	78.8	5%	0.052	38%	0.383	C	S	.	.	H	α-helix	trans	-60.1	-38.1	175	-78	179	0	0	0	112.9	A45 L46 V49 D62 F129 K137	A45-L133 HydrophobicContact CB-CD2 4.46Å; L46-L133 HydrophobicContact CD2-CD2 4.43Å; V49-L133 HydrophobicContact CG2-CD2 3.94Å; D62-L133 WeakPolarHBondContact OD1-CD1 3.33Å; F129-L133 HydrophobicContact CD1-CD1 4.23Å; F129-L133 HydrophobicContact CD2-CD1 4.26Å; F129-L133 HydrophobicContact CD2-CG 4.4Å; F129-L133 HydrophobicContact CE1-CD1 3.6Å; F129-L133 HydrophobicContact CE2-CD1 3.65Å; F129-L133 HydrophobicContact CE2-CG 4.06Å; F129-L133 HydrophobicContact CZ-CD1 3.28Å; F129-L133 HydrophobicContact CZ-CG 4.2Å; F129-L133 PolarHBondContact O-N 2.87Å; L133-K137 WeakPolarHBondContact O-CB 3.42Å; L133-K137 VanDerWaalsContact O-CG 3.24Å; L133-K137 WeakPolarHBondContact O-CG 3.41Å; L133-K137 PolarHBondContact O-N 3.49Å
134	K	78.2	Confident	69.1	Low	142 Å²	142	81 Å²	81	62%	0.617	40%	0.4	S	S	*	.	H	α-helix	trans	-66.5	-43.7	178.8	-174.4	180	178.7	-177.8	0	111.4	K130 Q131 Q132 K138	K130-K134 WeakPolarHBondContact O-CB 3.38Å; K130-K134 PolarHBondContact O-N 3.31Å; K130-K134 VanDerWaalsContact O-N 3.1Å; Q131-K134 WeakPolarHBondContact O-CB 3.38Å; Q131-K134 PolarHBondContact O-N 3.37Å; Q132-K134 VanDerWaalsContact C-N 3.29Å; Q132-K134 PolarHBondContact O-N 3.35Å; K134-K138 WeakPolarHBondContact O-CB 3.49Å; K134-K138 PolarHBondContact O-N 3.32Å; K134-K138 VanDerWaalsContact O-N 3.1Å
135	E	77.2	Confident	67.9	Low	77 Å²	77	81.7 Å²	81.7	36%	0.36	40%	0.401	S	S	.	.	H	α-helix	trans	-68.5	-44.3	179.6	-162.7	60.4	-144	0	0	111.1	Q131 Q132 K137 K138 Q139	Q131-E135 PolarHBondContact O-N 3.43Å; Q132-E135 PolarHBondContact O-N 2.99Å; E135-K137 PolarHBondContact O-N 2.94Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.21Å; E135-K138 VanDerWaalsContact O-N 3.07Å; E135-Q139 WeakPolarHBondContact O-CG 3.31Å; E135-Q139 PolarHBondContact O-N 3.36Å
136	L	63.2	Low	67.2	Low	25 Å²	25	81.3 Å²	81.3	13%	0.131	41%	0.409	C	S	.	.	H	α-helix	trans	-61.8	-44.3	178.5	-162.3	69.1	0	0	0	111.4	L46 V49 E50 Q132 K138 Q139 C140	L46-L136 HydrophobicContact CD2-CD2 3.82Å; V49-L136 HydrophobicContact CB-CD2 3.78Å; V49-L136 HydrophobicContact CG1-CB 4.48Å; V49-L136 HydrophobicContact CG1-CD2 3.51Å; V49-L136 HydrophobicContact CG1-CG 3.9Å; E50-L136 HydrophobicContact CG-CD1 4.45Å; E50-L136 HydrophobicContact CG-CD2 4.07Å; Q132-L136 WeakPolarHBondContact O-CB 3.4Å; Q132-L136 PolarHBondContact O-N 3.4Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 2.85Å; L136-Q139 PolarHBondContact O-N 2.9Å; L136-C140 PolarHBondContact O-N 3.37Å; L136-C140 PolarHBondContact O-SG 3.05Å
137	K	64	Low	66.5	Low	111 Å²	111	85.6 Å²	85.6	48%	0.483	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-33.9	173.6	-75.5	175.7	-179.2	178.7	0	113	L133 E135 K141	L133-K137 WeakPolarHBondContact O-CB 3.42Å; L133-K137 VanDerWaalsContact O-CG 3.24Å; L133-K137 WeakPolarHBondContact O-CG 3.41Å; L133-K137 PolarHBondContact O-N 3.49Å; E135-K137 PolarHBondContact O-N 2.94Å; K137-K141 VanDerWaalsContact O-CG 3.28Å; K137-K141 WeakPolarHBondContact O-CG 3.42Å; K137-K141 PolarHBondContact O-N 3.45Å
138	K	70.6	Confident	65.6	Low	135 Å²	135	86.7 Å²	86.7	59%	0.587	44%	0.439	S	S	*	.	H	α-helix	trans	-70.5	-41.8	176.3	-174.1	-174.2	174.4	-165.3	0	110.9	K134 E135 L136 K141 S142	K134-K138 WeakPolarHBondContact O-CB 3.49Å; K134-K138 PolarHBondContact O-N 3.32Å; K134-K138 VanDerWaalsContact O-N 3.1Å; E135-K138 WeakPolarHBondContact O-CB 3.45Å; E135-K138 PolarHBondContact O-N 3.21Å; E135-K138 VanDerWaalsContact O-N 3.07Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 2.85Å; K138-K141 PolarHBondContact O-N 3.44Å; K138-S142 WeakPolarHBondContact O-CB 3.19Å; K138-S142 PolarHBondContact O-N 3.49Å
139	Q	59.7	Low	64.5	Low	101 Å²	101	90.1 Å²	90.1	47%	0.472	45%	0.448	S	S	.	.	H	α-helix	trans	-63.3	-51.4	175.1	-70.7	-179.5	12.3	0	0	111.1	E135 L136 K141 S142 T143	E135-Q139 WeakPolarHBondContact O-CG 3.31Å; E135-Q139 PolarHBondContact O-N 3.36Å; L136-Q139 PolarHBondContact O-N 2.9Å; Q139-K141 VanDerWaalsContact C-N 3.27Å; Q139-K141 PolarHBondContact O-N 2.97Å; Q139-S142 PolarHBondContact O-N 2.77Å; Q139-T143 PolarHBondContact O-N 3.45Å; Q139-T143 PolarHBondContact O-OG1 2.85Å
140	C	56.1	Low	63.7	Low	56 Å²	56	95.7 Å²	95.7	38%	0.378	48%	0.477	S	S	.	.	H	α-helix	trans	-54.2	-43.1	176.4	-69.7	0	0	0	0	112.3	L136 C144	L136-C140 PolarHBondContact O-N 3.37Å; L136-C140 PolarHBondContact O-SG 3.05Å; C140-C144 WeakPolarHBondContact O-CB 3.31Å; C140-C144 PolarHBondContact O-N 3.26Å
141	K	54.5	Low	62.7	Low	143 Å²	143	98.1 Å²	98.1	62%	0.622	49%	0.488	S	S	*	.	H	α-helix	trans	-62.1	-48.3	174	-74.3	176.8	-178.2	-173.7	0	111.8	K137 K138 Q139 C144 F145	K137-K141 VanDerWaalsContact O-CG 3.28Å; K137-K141 WeakPolarHBondContact O-CG 3.42Å; K137-K141 PolarHBondContact O-N 3.45Å; K138-K141 PolarHBondContact O-N 3.44Å; Q139-K141 VanDerWaalsContact C-N 3.27Å; Q139-K141 PolarHBondContact O-N 2.97Å; K141-C144 PolarHBondContact O-N 3.01Å; K141-F145 WeakPolarHBondContact O-CB 3.28Å; K141-F145 VanDerWaalsContact O-CD2 3.24Å; K141-F145 WeakPolarHBondContact O-CD2 3.44Å; K141-F145 PolarHBondContact O-N 3.03Å
142	S	58.1	Low	61.4	Low	79 Å²	79	98.2 Å²	98.2	55%	0.552	49%	0.488	S	S	*	.	H	α-helix	trans	-61.9	-44.9	-179.3	-167.5	0	0	0	0	112.4	K138 Q139 F145 A146	K138-S142 WeakPolarHBondContact O-CB 3.19Å; K138-S142 PolarHBondContact O-N 3.49Å; Q139-S142 PolarHBondContact O-N 2.77Å; S142-F145 PolarHBondContact O-N 2.99Å; S142-A146 WeakPolarHBondContact O-CB 3.47Å; S142-A146 PolarHBondContact O-N 3.4Å
143	T	55.2	Low	60.7	Low	83 Å²	83	98.9 Å²	98.9	51%	0.509	49%	0.494	S	S	.	.	H	α-helix	trans	-69.7	-38.7	179.9	-38.1	0	0	0	0	111.1	Q139 A146 L147	Q139-T143 PolarHBondContact O-N 3.45Å; Q139-T143 PolarHBondContact O-OG1 2.85Å; T143-A146 PolarHBondContact O-N 2.98Å; T143-L147 WeakPolarHBondContact O-CB 3.3Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 3.4Å
144	C	52.8	Low	59.8	Low	77 Å²	77	108.3 Å²	108.3	52%	0.52	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-43.5	175.2	-161.2	0	0	0	0	111.3	C140 K141 A146 L147 V148	C140-C144 WeakPolarHBondContact O-CB 3.31Å; C140-C144 PolarHBondContact O-N 3.26Å; K141-C144 PolarHBondContact O-N 3.01Å; C144-A146 VanDerWaalsContact C-N 3.34Å; C144-A146 PolarHBondContact O-N 2.92Å; C144-L147 PolarHBondContact O-N 3.48Å; C144-V148 VanDerWaalsContact O-CG2 3.29Å; C144-V148 WeakPolarHBondContact O-CG2 3.47Å; C144-V148 PolarHBondContact O-N 3.15Å
145	F	50.4	Low	58.7	Low	153 Å²	153	108.7 Å²	108.7	67%	0.671	53%	0.532	S	S	*	.	H	α-helix	trans	-60.5	-40.7	172.5	-93.1	-72.9	0	0	0	112.7	K141 S142 R149	K141-F145 WeakPolarHBondContact O-CB 3.28Å; K141-F145 VanDerWaalsContact O-CD2 3.24Å; K141-F145 WeakPolarHBondContact O-CD2 3.44Å; K141-F145 PolarHBondContact O-N 3.03Å; S142-F145 PolarHBondContact O-N 2.99Å; F145-R149 WeakPolarHBondContact O-CB 3.48Å; F145-R149 WeakPolarHBondContact O-CG 3.34Å; F145-R149 PolarHBondContact O-N 2.91Å
146	A	58.1	Low	57.6	Low	49 Å²	49	112 Å²	112	41%	0.405	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-40.9	177.4	0	0	0	0	0	112.2	S142 T143 C144 R149 L150	S142-A146 WeakPolarHBondContact O-CB 3.47Å; S142-A146 PolarHBondContact O-N 3.4Å; T143-A146 PolarHBondContact O-N 2.98Å; C144-A146 VanDerWaalsContact C-N 3.34Å; C144-A146 PolarHBondContact O-N 2.92Å; A146-R149 PolarHBondContact O-N 3.2Å; A146-L150 WeakPolarHBondContact O-CB 3.32Å; A146-L150 PolarHBondContact O-N 2.77Å
147	L	56.1	Low	56.8	Low	110 Å²	110	119 Å²	119	58%	0.576	60%	0.595	S	S	*	*	H	α-helix	trans	-66.5	-42	176.3	-74	171.5	0	0	0	112.2	T143 C144 L150 F151	T143-L147 WeakPolarHBondContact O-CB 3.3Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 3.4Å; C144-L147 PolarHBondContact O-N 3.48Å; L147-L150 PolarHBondContact O-N 2.86Å; L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 PolarHBondContact O-N 3.32Å
148	V	59.1	Low	56.4	Low	81 Å²	81	119.4 Å²	119.4	49%	0.491	60%	0.601	S	S	.	*	H	α-helix	trans	-60.9	-45.2	174.4	172	0	0	0	0	110.6	C144 L150 F151 E152	C144-V148 VanDerWaalsContact O-CG2 3.29Å; C144-V148 WeakPolarHBondContact O-CG2 3.47Å; C144-V148 PolarHBondContact O-N 3.15Å; V148-L150 PolarHBondContact O-N 3.09Å; V148-F151 PolarHBondContact O-N 3.33Å; V148-E152 WeakPolarHBondContact O-CB 3.49Å; V148-E152 PolarHBondContact O-N 2.78Å
149	R	56.4	Low	55.7	Low	167 Å²	167	118.5 Å²	118.5	63%	0.63	60%	0.602	S	S	*	*	H	α-helix	trans	-62.6	-40.8	175.4	-77.3	-68.2	-163.8	167.1	1.4	113	F145 A146 F151 E152 I153	F145-R149 WeakPolarHBondContact O-CB 3.48Å; F145-R149 WeakPolarHBondContact O-CG 3.34Å; F145-R149 PolarHBondContact O-N 2.91Å; A146-R149 PolarHBondContact O-N 3.2Å; R149-F151 VanDerWaalsContact C-N 3.34Å; R149-E152 PolarHBondContact O-N 2.76Å; R149-I153 WeakPolarHBondContact O-CB 3.41Å; R149-I153 WeakPolarHBondContact O-CD1 3.43Å; R149-I153 WeakPolarHBondContact O-CG1 3.3Å; R149-I153 PolarHBondContact O-N 2.93Å
150	L	58.1	Low	55.5	Low	117 Å²	117	119.5 Å²	119.5	61%	0.613	61%	0.609	S	S	*	*	H	α-helix	trans	-65	-37.2	176	-90.6	156.4	0	0	0	112.4	A146 L147 V148 R154	A146-L150 WeakPolarHBondContact O-CB 3.32Å; A146-L150 PolarHBondContact O-N 2.77Å; L147-L150 PolarHBondContact O-N 2.86Å; V148-L150 PolarHBondContact O-N 3.09Å; L150-R154 WeakPolarHBondContact O-CB 3.41Å; L150-R154 PolarHBondContact O-N 2.84Å
151	F	57.1	Low	55.4	Low	147 Å²	147	123.2 Å²	123.2	65%	0.645	62%	0.623	S	S	*	*	H	α-helix	trans	-70.3	-42.7	176.5	-145	-89.9	0	0	0	111.4	L147 V148 R149 R154 E155	L147-F151 WeakPolarHBondContact O-CB 3.44Å; L147-F151 PolarHBondContact O-N 3.32Å; V148-F151 PolarHBondContact O-N 3.33Å; R149-F151 VanDerWaalsContact C-N 3.34Å; F151-R154 PolarHBondContact O-N 2.84Å; F151-E155 HydrophobicContact CD1-CG 4.34Å; F151-E155 HydrophobicContact CE1-CG 4.48Å; F151-E155 PolarHBondContact O-N 2.91Å; F151-E155 VanDerWaalsContact O-N 3.08Å
152	E	54.8	Low	55.5	Low	106 Å²	106	122 Å²	122	50%	0.495	62%	0.623	S	S	.	*	H	α-helix	trans	-67.6	-36.6	-179.9	-161.3	164.1	-148.7	0	0	112.7	V148 R149 R154 L156	V148-E152 WeakPolarHBondContact O-CB 3.49Å; V148-E152 PolarHBondContact O-N 2.78Å; R149-E152 PolarHBondContact O-N 2.76Å; E152-R154 VanDerWaalsContact C-N 3.3Å; E152-R154 PolarHBondContact O-N 2.76Å; E152-L156 WeakPolarHBondContact O-CD1 3.27Å; E152-L156 WeakPolarHBondContact O-CG 3.46Å; E152-L156 PolarHBondContact O-N 3.17Å
153	I	61.6	Low	55.3	Low	108 Å²	108	124.9 Å²	124.9	55%	0.554	63%	0.627	S	S	*	*	H	α-helix	trans	-65.9	-34.4	173	-68.9	164.6	0	0	0	111.4	R149 L156 T157	R149-I153 WeakPolarHBondContact O-CB 3.41Å; R149-I153 WeakPolarHBondContact O-CD1 3.43Å; R149-I153 WeakPolarHBondContact O-CG1 3.3Å; R149-I153 PolarHBondContact O-N 2.93Å; I153-L156 PolarHBondContact O-N 3.33Å; I153-T157 PolarHBondContact O-OG1 2.75Å
154	R	55.1	Low	55.3	Low	207 Å²	207	127.9 Å²	127.9	78%	0.781	64%	0.636	S	S	*	*	H	α-helix	trans	-80	-23	-177.1	-166	173.1	164.4	175	-5	113.5	L150 F151 E152	L150-R154 WeakPolarHBondContact O-CB 3.41Å; L150-R154 PolarHBondContact O-N 2.84Å; F151-R154 PolarHBondContact O-N 2.84Å; E152-R154 VanDerWaalsContact C-N 3.3Å; E152-R154 PolarHBondContact O-N 2.76Å
155	E	55	Low	55.5	Low	151 Å²	151	131.8 Å²	131.8	71%	0.706	65%	0.645	S	S	*	*	H	α-helix	trans	-79.8	-18.3	169.8	-75.6	-82.4	147.1	0	0	112.7	F151	F151-E155 HydrophobicContact CD1-CG 4.34Å; F151-E155 HydrophobicContact CE1-CG 4.48Å; F151-E155 PolarHBondContact O-N 2.91Å; F151-E155 VanDerWaalsContact O-N 3.08Å
156	L	53.7	Low	55.9	Low	146 Å²	146	130 Å²	130	76%	0.764	64%	0.642	S	S	*	*			trans	-94.9	5.6	-179.9	-76.4	165.3	0	0	0	114	E152 I153	E152-L156 WeakPolarHBondContact O-CD1 3.27Å; E152-L156 WeakPolarHBondContact O-CG 3.46Å; E152-L156 PolarHBondContact O-N 3.17Å; I153-L156 PolarHBondContact O-N 3.33Å
157	T	46.3	Very low	55.8	Low	171 Å²	171	137.4 Å²	137.4	100%	1.049	66%	0.664	S	S	*	*			trans	-120.3	0	178.4	-39.6	0	0	0	0	110.4	I153	I153-T157 PolarHBondContact O-OG1 2.75Å

Retrieved 157 of 157 residues in 81.3 ms (Link to these results)

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