A0A5K4EGG7_SCHMA Loading...

Homologous-pairing protein 2 homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EGG7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	42.9	Very low	83.4	Confident	223 Å²	223	70.2 Å²	70.2	100%	1.099	39%	0.39	S	S	*	.				0	-23	0	-71.3	-158.7	-94.8	0	0	114
2	S	63.5	Low	84.3	Confident	94 Å²	94	69.3 Å²	69.3	66%	0.657	39%	0.388	S	S	*	.	H	α-helix	trans	-74.8	-29.2	-177.7	49.8	0	0	0	0	116.3	C6	S2-C6 PolarHBondContact O-N 3.13Å
3	N	73	Confident	85.2	Confident	60 Å²	60	66.6 Å²	66.6	32%	0.321	37%	0.37	S	S	.	.	H	α-helix	trans	-70.3	-40.1	-174	-156.9	49	0	0	0	113.2	C6 K7 D44	N3-C6 PolarHBondContact O-N 3.38Å; N3-K7 WeakPolarHBondContact O-CB 3.27Å; N3-K7 PolarHBondContact O-N 3.45Å; N3-D44 PolarHBondContact ND2-OD2 3.19Å
4	F	85.2	Confident	86	Confident	174 Å²	174	61.9 Å²	61.9	76%	0.763	34%	0.344	S	S	*	.	H	α-helix	trans	-66	-40	179.7	-71.5	-79	0	0	0	112.7	K7 G8	F4-K7 PolarHBondContact O-N 2.69Å; F4-G8 PolarHBondContact O-N 3.47Å
5	A	89.7	Confident	86.5	Confident	50 Å²	50	63.9 Å²	63.9	41%	0.413	35%	0.349	S	S	.	.	H	α-helix	trans	-65	-45.9	175.6	0	0	0	0	0	111.5	K7 G8 D9	A5-K7 VanDerWaalsContact C-N 3.33Å; A5-K7 PolarHBondContact O-N 2.92Å; A5-G8 PolarHBondContact O-N 3.48Å; A5-D9 PolarHBondContact O-N 3.09Å
6	C	91.6	Very high	86.9	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.014	38%	0.375	C	S	.	.	H	α-helix	trans	-57.1	-47.3	175.6	-174.7	0	0	0	0	111.8	S2 N3 D9 V10 Y33	S2-C6 PolarHBondContact O-N 3.13Å; N3-C6 PolarHBondContact O-N 3.38Å; C6-D9 PolarHBondContact O-N 3.47Å; C6-V10 WeakPolarHBondContact O-CB 3.26Å; C6-V10 WeakPolarHBondContact O-CG2 3.48Å; C6-V10 PolarHBondContact O-N 3.17Å; C6-Y33 VanDerWaalsContact CA-CZ 3.5Å; C6-Y33 HydrophobicContact CB-CD1 3.56Å; C6-Y33 HydrophobicContact CB-CD2 4.3Å; C6-Y33 HydrophobicContact CB-CE1 3.6Å; C6-Y33 HydrophobicContact CB-CE2 4.34Å; C6-Y33 HydrophobicContact CB-CG 3.94Å
7	K	93.2	Very high	87.3	Confident	29 Å²	29	72.2 Å²	72.2	13%	0.126	38%	0.379	C	S	.	.	H	α-helix	trans	-60.8	-45.3	177.8	-174.6	175.1	-179.2	173.8	0	113.1	N3 F4 A5 V10 L11 A41 D44 L45 E48	N3-K7 WeakPolarHBondContact O-CB 3.27Å; N3-K7 PolarHBondContact O-N 3.45Å; F4-K7 PolarHBondContact O-N 2.69Å; A5-K7 VanDerWaalsContact C-N 3.33Å; A5-K7 PolarHBondContact O-N 2.92Å; K7-V10 PolarHBondContact O-N 2.98Å; K7-L11 WeakPolarHBondContact O-CB 3.49Å; K7-L11 PolarHBondContact O-N 3.27Å; K7-A41 HydrophobicContact CB-CB 4.22Å; K7-D44 HydrophobicContact CD-CB 4.12Å; K7-L45 HydrophobicContact CD-CD2 4.34Å; K7-L45 HydrophobicContact CD-CG 4.47Å; K7-L45 HydrophobicContact CG-CD1 4.19Å; K7-L45 HydrophobicContact CG-CD2 3.76Å; K7-L45 HydrophobicContact CG-CG 3.79Å; K7-E48 VanDerWaalsContact CE-CD 3.43Å; K7-E48 WeakPolarHBondContact CE-OE1 3.43Å; K7-E48 WeakPolarHBondContact CE-OE2 3.37Å; K7-E48 IonicContact NZ-OE1 3.95Å; K7-E48 PolarHBondContact NZ-OE1 3.47Å; K7-E48 IonicContact NZ-OE2 3.28Å; K7-E48 PolarHBondContact NZ-OE2 2.99Å; K7-E48 VanDerWaalsContact NZ-OE2 3.14Å
8	G	94	Very high	87.6	Confident	32 Å²	32	71.8 Å²	71.8	33%	0.33	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-44.7	176.2	0	0	0	0	0	112.8	F4 A5 L11 T12	F4-G8 PolarHBondContact O-N 3.47Å; A5-G8 PolarHBondContact O-N 3.48Å; G8-L11 PolarHBondContact O-N 3.11Å; G8-T12 WeakPolarHBondContact O-CG2 3.38Å; G8-T12 PolarHBondContact O-N 2.92Å; G8-T12 PolarHBondContact O-OG1 3.1Å
9	D	94.4	Very high	88	Confident	66 Å²	66	76.2 Å²	76.2	35%	0.353	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-39.6	179	-71.5	-11.3	0	0	0	112.2	A5 C6 T12 F13 Y33	A5-D9 PolarHBondContact O-N 3.09Å; C6-D9 PolarHBondContact O-N 3.47Å; D9-T12 WeakPolarHBondContact CA-OG1 3.42Å; D9-T12 PolarHBondContact O-OG1 3.25Å; D9-F13 WeakPolarHBondContact O-CB 3.48Å; D9-F13 PolarHBondContact O-N 3.06Å; D9-Y33 HydrophobicContact CB-CE2 3.89Å; D9-Y33 VanDerWaalsContact OD2-CE2 3.26Å; D9-Y33 WeakPolarHBondContact OD2-CE2 3.39Å; D9-Y33 VanDerWaalsContact OD2-CZ 3.31Å; D9-Y33 PolarHBondContact OD2-OH 3.28Å
10	V	95.5	Very high	88.3	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-61.7	-48.2	173.8	172.7	0	0	0	0	110	C6 K7 T12 F13 F14 V26 L30 A41 L42 L45 I51	C6-V10 WeakPolarHBondContact O-CB 3.26Å; C6-V10 WeakPolarHBondContact O-CG2 3.48Å; C6-V10 PolarHBondContact O-N 3.17Å; K7-V10 PolarHBondContact O-N 2.98Å; V10-T12 PolarHBondContact O-N 3.06Å; V10-F13 WeakPolarHBondContact O-CB 3.27Å; V10-F13 PolarHBondContact O-N 2.77Å; V10-F14 HydrophobicContact CG1-CD2 3.81Å; V10-F14 HydrophobicContact CG1-CE2 3.85Å; V10-F14 VanDerWaalsContact O-CD2 3.31Å; V10-F14 WeakPolarHBondContact O-CD2 3.43Å; V10-F14 PolarHBondContact O-N 2.93Å; V10-V26 HydrophobicContact CG1-CG1 4.43Å; V10-V26 HydrophobicContact CG2-CG1 4.24Å; V10-L30 HydrophobicContact CB-CD1 4.28Å; V10-L30 HydrophobicContact CG2-CD1 3.65Å; V10-A41 HydrophobicContact CG2-CB 4.29Å; V10-L42 HydrophobicContact CG1-CD2 3.8Å; V10-L42 HydrophobicContact CG1-CG 4.33Å; V10-L45 HydrophobicContact CB-CD1 4.06Å; V10-L45 HydrophobicContact CG1-CD1 3.69Å; V10-I51 HydrophobicContact CG1-CD1 4.38Å
11	L	94.9	Very high	88.7	Confident	42 Å²	42	74.6 Å²	74.6	22%	0.22	39%	0.385	C	S	.	.	H	α-helix	trans	-59.8	-47.7	179.8	-178.6	58.3	0	0	0	112.2	K7 G8 F13 F14 E15 L45 Y64	K7-L11 WeakPolarHBondContact O-CB 3.49Å; K7-L11 PolarHBondContact O-N 3.27Å; G8-L11 PolarHBondContact O-N 3.11Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.99Å; L11-F14 PolarHBondContact O-N 3.34Å; L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.81Å; L11-L45 HydrophobicContact CB-CD1 4.1Å; L11-L45 HydrophobicContact CB-CD2 4.02Å; L11-L45 HydrophobicContact CD1-CD2 4.15Å; L11-L45 HydrophobicContact CD2-CD2 4.16Å; L11-L45 HydrophobicContact CG-CD2 4.34Å; L11-Y64 HydrophobicContact CD1-CD2 4.07Å; L11-Y64 HydrophobicContact CD1-CE2 3.63Å
12	T	94.3	Very high	91.2	Very high	59 Å²	59	65.3 Å²	65.3	36%	0.362	34%	0.342	S	S	.	.	H	α-helix	trans	-65.2	-33.5	179.5	56.5	0	0	0	0	112.8	G8 D9 V10 K16	G8-T12 WeakPolarHBondContact O-CG2 3.38Å; G8-T12 PolarHBondContact O-N 2.92Å; G8-T12 PolarHBondContact O-OG1 3.1Å; D9-T12 WeakPolarHBondContact CA-OG1 3.42Å; D9-T12 PolarHBondContact O-OG1 3.25Å; V10-T12 PolarHBondContact O-N 3.06Å; T12-K16 WeakPolarHBondContact O-CB 3.17Å; T12-K16 VanDerWaalsContact O-CG 3.27Å; T12-K16 WeakPolarHBondContact O-CG 3.23Å; T12-K16 PolarHBondContact O-N 2.97Å; T12-K16 VanDerWaalsContact O-N 3.08Å
13	F	95.6	Very high	92.7	Very high	35 Å²	35	61.9 Å²	61.9	15%	0.154	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-49	172.5	172.5	-101.5	0	0	0	111.4	D9 V10 L11 E15 K16 E17 F21 V26 A29 L30	D9-F13 WeakPolarHBondContact O-CB 3.48Å; D9-F13 PolarHBondContact O-N 3.06Å; V10-F13 WeakPolarHBondContact O-CB 3.27Å; V10-F13 PolarHBondContact O-N 2.77Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 2.99Å; F13-E15 PolarHBondContact O-N 2.94Å; F13-K16 PolarHBondContact O-N 3.29Å; F13-E17 HydrophobicContact CD2-CG 4.03Å; F13-E17 HydrophobicContact CE2-CG 3.65Å; F13-E17 HydrophobicContact CZ-CG 4.03Å; F13-E17 WeakPolarHBondContact O-CB 3.45Å; F13-E17 PolarHBondContact O-N 3.45Å; F13-F21 AromaticContact CE1-CD2 3.61Å; F13-F21 HydrophobicContact CE1-CD2 3.61Å; F13-F21 AromaticContact CE1-CE2 3.61Å; F13-F21 HydrophobicContact CE1-CE2 3.61Å; F13-F21 HydrophobicContact CE1-CG 4.15Å; F13-F21 HydrophobicContact CE1-CZ 4.15Å; F13-F21 HydrophobicContact CZ-CD2 4.17Å; F13-F21 HydrophobicContact CZ-CE1 4.34Å; F13-F21 AromaticContact CZ-CE2 3.77Å; F13-F21 HydrophobicContact CZ-CE2 3.77Å; F13-F21 AromaticContact CZ-CZ 3.85Å; F13-F21 HydrophobicContact CZ-CZ 3.85Å; F13-V26 HydrophobicContact CE1-CG2 4.41Å; F13-A29 HydrophobicContact CD2-CB 4.31Å; F13-A29 HydrophobicContact CE1-CB 4.29Å; F13-A29 HydrophobicContact CE2-CB 3.58Å; F13-A29 HydrophobicContact CZ-CB 3.57Å; F13-L30 HydrophobicContact CB-CD1 4.26Å
14	F	95.7	Very high	93.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-39.7	178.5	-89.5	-80.1	0	0	0	113	V10 L11 N18 F21 V26 L42 I51 Y62 Y64	V10-F14 HydrophobicContact CG1-CD2 3.81Å; V10-F14 HydrophobicContact CG1-CE2 3.85Å; V10-F14 VanDerWaalsContact O-CD2 3.31Å; V10-F14 WeakPolarHBondContact O-CD2 3.43Å; V10-F14 PolarHBondContact O-N 2.93Å; L11-F14 PolarHBondContact O-N 3.34Å; F14-N18 WeakPolarHBondContact O-CA 3.39Å; F14-N18 PolarHBondContact O-N 2.78Å; F14-F21 HydrophobicContact CD1-CD2 4.1Å; F14-F21 HydrophobicContact CE1-CB 3.86Å; F14-F21 AromaticContact CE1-CD2 3.73Å; F14-F21 HydrophobicContact CE1-CD2 3.73Å; F14-F21 HydrophobicContact CE1-CG 4.3Å; F14-F21 HydrophobicContact CZ-CB 3.84Å; F14-F21 HydrophobicContact CZ-CD2 4.23Å; F14-V26 HydrophobicContact CE2-CG1 4.48Å; F14-V26 HydrophobicContact CE2-CG2 3.54Å; F14-V26 HydrophobicContact CZ-CG2 3.55Å; F14-L42 HydrophobicContact CD2-CD2 4.48Å; F14-L42 HydrophobicContact CE2-CD2 3.61Å; F14-L42 HydrophobicContact CZ-CD2 4.02Å; F14-I51 HydrophobicContact CB-CD1 4.1Å; F14-I51 HydrophobicContact CD1-CD1 4.43Å; F14-I51 HydrophobicContact CD2-CD1 3.5Å; F14-I51 HydrophobicContact CE2-CD1 4.01Å; F14-I51 HydrophobicContact CG-CD1 3.75Å; F14-I51 HydrophobicContact CG-CG1 4.46Å; F14-Y62 WeakPolarHBondContact CE1-O 3.48Å; F14-Y64 HydrophobicContact CB-CD2 4.12Å
15	E	93.7	Very high	94.1	Very high	92 Å²	92	59 Å²	59	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-64.9	-43.7	177.8	-172.9	177.4	-176.9	0	0	112.1	L11 F13 Y64	L11-E15 WeakPolarHBondContact O-CB 3.48Å; L11-E15 PolarHBondContact O-N 2.81Å; F13-E15 PolarHBondContact O-N 2.94Å; E15-Y64 HydrophobicContact CB-CD2 3.96Å; E15-Y64 HydrophobicContact CB-CE2 3.63Å; E15-Y64 HydrophobicContact CG-CE1 4.38Å; E15-Y64 HydrophobicContact CG-CE2 4Å
16	K	93.4	Very high	94.4	Very high	175 Å²	175	56.6 Å²	56.6	76%	0.761	29%	0.289	S	S	*	.	H	α-helix	trans	-71.2	-49.1	-178.5	-75.1	175.2	-179.1	175.9	0	113	T12 F13 N18	T12-K16 WeakPolarHBondContact O-CB 3.17Å; T12-K16 VanDerWaalsContact O-CG 3.27Å; T12-K16 WeakPolarHBondContact O-CG 3.23Å; T12-K16 PolarHBondContact O-N 2.97Å; T12-K16 VanDerWaalsContact O-N 3.08Å; F13-K16 PolarHBondContact O-N 3.29Å; K16-N18 VanDerWaalsContact C-N 3.33Å
17	E	93.5	Very high	94.5	Very high	94 Å²	94	57.8 Å²	57.8	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-74.9	-29	-176.7	-71.4	-61.1	140.2	0	0	111.8	F13 R19 F21	F13-E17 HydrophobicContact CD2-CG 4.03Å; F13-E17 HydrophobicContact CE2-CG 3.65Å; F13-E17 HydrophobicContact CZ-CG 4.03Å; F13-E17 WeakPolarHBondContact O-CB 3.45Å; F13-E17 PolarHBondContact O-N 3.45Å; E17-R19 VanDerWaalsContact O-CG 3.3Å; E17-R19 WeakPolarHBondContact O-CG 3.4Å; E17-R19 PolarHBondContact O-N 2.81Å; E17-F21 HydrophobicContact CB-CE2 3.65Å; E17-F21 HydrophobicContact CB-CZ 3.9Å; E17-F21 HydrophobicContact CG-CE2 4.26Å; E17-F21 HydrophobicContact CG-CZ 4.23Å
18	N	92.9	Very high	94.6	Very high	66 Å²	66	61.3 Å²	61.3	35%	0.353	32%	0.317	S	S	.	.			trans	46.4	44.9	179.8	-161.1	29.8	0	0	0	113.8	F14 K16 Q66 L69	F14-N18 WeakPolarHBondContact O-CA 3.39Å; F14-N18 PolarHBondContact O-N 2.78Å; K16-N18 VanDerWaalsContact C-N 3.33Å; N18-Q66 PolarHBondContact ND2-OE1 2.92Å; N18-Q66 PolarHBondContact OD1-NE2 2.91Å; N18-Q66 PolarHBondContact OD1-OE1 3.11Å; N18-L69 WeakPolarHBondContact ND2-CD1 3.35Å
19	R	94.3	Very high	94.5	Very high	154 Å²	154	62.2 Å²	62.2	58%	0.581	32%	0.321	S	S	*	.	S	Bend	trans	-131.3	155.9	-175.7	-77.5	168.5	-165	-76.2	-1	111.6	E17 F21	E17-R19 VanDerWaalsContact O-CG 3.3Å; E17-R19 WeakPolarHBondContact O-CG 3.4Å; E17-R19 PolarHBondContact O-N 2.81Å; R19-F21 HydrophobicContact CB-CD2 4.43Å; R19-F21 HydrophobicContact CB-CE1 4.36Å; R19-F21 HydrophobicContact CB-CE2 3.71Å; R19-F21 HydrophobicContact CB-CZ 3.67Å; R19-F21 VanDerWaalsContact O-CD2 3.24Å; R19-F21 WeakPolarHBondContact O-CD2 3.39Å
20	P	95.3	Very high	94.5	Very high	85 Å²	85	60.5 Å²	60.5	55%	0.552	31%	0.312	S	S	*	.			trans	-73.4	129.3	172.8	29.1	-33.2	0	0	0	111.5	V61 Y62 V63	P20-V61 HydrophobicContact CB-CG1 3.72Å; P20-Y62 WeakPolarHBondContact CA-O 3.4Å; P20-V63 HydrophobicContact CB-CG2 3.76Å
21	F	96.7	Very high	94.2	Very high	34 Å²	34	68.8 Å²	68.8	15%	0.149	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.7	179.9	-65	-66.9	0	0	0	112.2	F13 F14 E17 R19 D25 V26 Y62	F13-F21 AromaticContact CE1-CD2 3.61Å; F13-F21 HydrophobicContact CE1-CD2 3.61Å; F13-F21 AromaticContact CE1-CE2 3.61Å; F13-F21 HydrophobicContact CE1-CE2 3.61Å; F13-F21 HydrophobicContact CE1-CG 4.15Å; F13-F21 HydrophobicContact CE1-CZ 4.15Å; F13-F21 HydrophobicContact CZ-CD2 4.17Å; F13-F21 HydrophobicContact CZ-CE1 4.34Å; F13-F21 AromaticContact CZ-CE2 3.77Å; F13-F21 HydrophobicContact CZ-CE2 3.77Å; F13-F21 AromaticContact CZ-CZ 3.85Å; F13-F21 HydrophobicContact CZ-CZ 3.85Å; F14-F21 HydrophobicContact CD1-CD2 4.1Å; F14-F21 HydrophobicContact CE1-CB 3.86Å; F14-F21 AromaticContact CE1-CD2 3.73Å; F14-F21 HydrophobicContact CE1-CD2 3.73Å; F14-F21 HydrophobicContact CE1-CG 4.3Å; F14-F21 HydrophobicContact CZ-CB 3.84Å; F14-F21 HydrophobicContact CZ-CD2 4.23Å; E17-F21 HydrophobicContact CB-CE2 3.65Å; E17-F21 HydrophobicContact CB-CZ 3.9Å; E17-F21 HydrophobicContact CG-CE2 4.26Å; E17-F21 HydrophobicContact CG-CZ 4.23Å; R19-F21 HydrophobicContact CB-CD2 4.43Å; R19-F21 HydrophobicContact CB-CE1 4.36Å; R19-F21 HydrophobicContact CB-CE2 3.71Å; R19-F21 HydrophobicContact CB-CZ 3.67Å; R19-F21 VanDerWaalsContact O-CD2 3.24Å; R19-F21 WeakPolarHBondContact O-CD2 3.39Å; F21-D25 HydrophobicContact CB-CB 4.15Å; F21-D25 HydrophobicContact CD1-CB 3.93Å; F21-D25 HydrophobicContact CG-CB 4.47Å; F21-V26 HydrophobicContact CB-CG2 3.97Å; F21-Y62 PolarHBondContact N-O 2.71Å; F21-Y62 PolarHBondContact O-N 2.63Å
22	S	95.3	Very high	94	Very high	29 Å²	29	73.7 Å²	73.7	20%	0.203	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	167.1	168.1	75.4	0	0	0	0	111.4	I24 D25 V26	S22-I24 PolarHBondContact O-N 2.88Å; S22-I24 PolarHBondContact OG-N 3.34Å; S22-D25 VanDerWaalsContact CB-OD2 3.29Å; S22-D25 WeakPolarHBondContact CB-OD2 3.23Å; S22-D25 PolarHBondContact N-OD2 2.95Å; S22-D25 PolarHBondContact O-N 3.23Å; S22-D25 VanDerWaalsContact O-N 3.1Å; S22-D25 VanDerWaalsContact OG-CG 3.25Å; S22-D25 PolarHBondContact OG-N 3.17Å; S22-D25 PolarHBondContact OG-OD2 2.9Å; S22-V26 WeakPolarHBondContact O-CG2 3.41Å; S22-V26 PolarHBondContact O-N 3.08Å; S22-V26 VanDerWaalsContact O-N 3.09Å
23	V	94	Very high	93.8	Very high	22 Å²	22	73.5 Å²	73.5	13%	0.133	37%	0.367	C	S	.	.	H	α-helix	trans	-54.2	-37.3	174.3	-175.3	0	0	0	0	111.8	V26 C27 K35 I38 S39 L42 Y62	V23-V26 PolarHBondContact O-N 2.85Å; V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 3.3Å; V23-C27 PolarHBondContact O-SG 3.15Å; V23-K35 HydrophobicContact CG1-CG 4.27Å; V23-I38 HydrophobicContact CG1-CG2 4.39Å; V23-S39 WeakPolarHBondContact CG1-OG 3.24Å; V23-L42 HydrophobicContact CB-CD1 4.39Å; V23-L42 HydrophobicContact CG1-CD1 4.46Å; V23-L42 HydrophobicContact CG2-CD1 3.89Å; V23-Y62 HydrophobicContact CG2-CD2 4.42Å; V23-Y62 HydrophobicContact CG2-CE2 3.57Å
24	I	93.8	Very high	93.6	Very high	101 Å²	101	74.1 Å²	74.1	52%	0.518	38%	0.384	S	S	.	.	H	α-helix	trans	-67.3	-42.3	-179.1	-60.8	171.4	0	0	0	110.3	S22 V26 C27 N28	S22-I24 PolarHBondContact O-N 2.88Å; S22-I24 PolarHBondContact OG-N 3.34Å; I24-V26 PolarHBondContact O-N 3.45Å; I24-C27 WeakPolarHBondContact O-CB 3.48Å; I24-C27 PolarHBondContact O-N 2.72Å; I24-N28 VanDerWaalsContact O-CG 3.25Å; I24-N28 PolarHBondContact O-N 2.98Å; I24-N28 PolarHBondContact O-ND2 3.08Å
25	D	95	Very high	93.4	Very high	72 Å²	72	80.5 Å²	80.5	39%	0.385	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-42.9	178.7	-54.9	-47.6	0	0	0	111.2	F21 S22 N28 A29	F21-D25 HydrophobicContact CB-CB 4.15Å; F21-D25 HydrophobicContact CD1-CB 3.93Å; F21-D25 HydrophobicContact CG-CB 4.47Å; S22-D25 VanDerWaalsContact CB-OD2 3.29Å; S22-D25 WeakPolarHBondContact CB-OD2 3.23Å; S22-D25 PolarHBondContact N-OD2 2.95Å; S22-D25 PolarHBondContact O-N 3.23Å; S22-D25 VanDerWaalsContact O-N 3.1Å; S22-D25 VanDerWaalsContact OG-CG 3.25Å; S22-D25 PolarHBondContact OG-N 3.17Å; S22-D25 PolarHBondContact OG-OD2 2.9Å; D25-N28 WeakPolarHBondContact O-CB 3.39Å; D25-N28 PolarHBondContact O-N 3.06Å; D25-N28 VanDerWaalsContact O-N 3.17Å; D25-A29 PolarHBondContact O-N 2.79Å
26	V	95	Very high	93.4	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-64.9	-40.3	176.1	-176.5	0	0	0	0	110.9	V10 F13 F14 F21 S22 V23 I24 N28 A29 L30 I38	V10-V26 HydrophobicContact CG1-CG1 4.43Å; V10-V26 HydrophobicContact CG2-CG1 4.24Å; F13-V26 HydrophobicContact CE1-CG2 4.41Å; F14-V26 HydrophobicContact CE2-CG1 4.48Å; F14-V26 HydrophobicContact CE2-CG2 3.54Å; F14-V26 HydrophobicContact CZ-CG2 3.55Å; F21-V26 HydrophobicContact CB-CG2 3.97Å; S22-V26 WeakPolarHBondContact O-CG2 3.41Å; S22-V26 PolarHBondContact O-N 3.08Å; S22-V26 VanDerWaalsContact O-N 3.09Å; V23-V26 PolarHBondContact O-N 2.85Å; I24-V26 PolarHBondContact O-N 3.45Å; V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 2.97Å; V26-A29 PolarHBondContact O-N 3.14Å; V26-L30 HydrophobicContact CG1-CD1 3.96Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 PolarHBondContact O-N 3.32Å; V26-I38 HydrophobicContact CB-CG2 3.98Å; V26-I38 HydrophobicContact CG1-CD1 4.48Å; V26-I38 HydrophobicContact CG1-CG2 3.57Å
27	C	93.8	Very high	93.3	Very high	27 Å²	27	73.8 Å²	73.8	18%	0.182	40%	0.395	C	S	.	.	H	α-helix	trans	-61.9	-35.5	173.7	-67.1	0	0	0	0	112.5	V23 I24 I38	V23-C27 WeakPolarHBondContact O-CB 3.48Å; V23-C27 PolarHBondContact O-N 3.3Å; V23-C27 PolarHBondContact O-SG 3.15Å; I24-C27 WeakPolarHBondContact O-CB 3.48Å; I24-C27 PolarHBondContact O-N 2.72Å; C27-I38 HydrophobicContact CB-CD1 4.13Å
28	N	94.5	Very high	93.4	Very high	102 Å²	102	69.3 Å²	69.3	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-72.4	-36.8	178	-71.1	-24.5	0	0	0	112.4	I24 D25 V26 K31	I24-N28 VanDerWaalsContact O-CG 3.25Å; I24-N28 PolarHBondContact O-N 2.98Å; I24-N28 PolarHBondContact O-ND2 3.08Å; D25-N28 WeakPolarHBondContact O-CB 3.39Å; D25-N28 PolarHBondContact O-N 3.06Å; D25-N28 VanDerWaalsContact O-N 3.17Å; V26-N28 VanDerWaalsContact C-N 3.28Å; V26-N28 PolarHBondContact O-N 2.97Å; N28-K31 VanDerWaalsContact O-CE 3.23Å; N28-K31 WeakPolarHBondContact O-CE 3.04Å; N28-K31 WeakPolarHBondContact O-CG 3.47Å
29	A	93.3	Very high	93.4	Very high	52 Å²	52	67.7 Å²	67.7	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-74.4	-46.4	176.5	0	0	0	0	0	112	F13 D25 V26	F13-A29 HydrophobicContact CD2-CB 4.31Å; F13-A29 HydrophobicContact CE1-CB 4.29Å; F13-A29 HydrophobicContact CE2-CB 3.58Å; F13-A29 HydrophobicContact CZ-CB 3.57Å; D25-A29 PolarHBondContact O-N 2.79Å; V26-A29 PolarHBondContact O-N 3.14Å
30	L	93.1	Very high	93.4	Very high	30 Å²	30	68.4 Å²	68.4	16%	0.157	37%	0.371	C	S	.	.			trans	-104	69.2	-176.4	-60.9	178.3	0	0	0	111.5	V10 F13 V26 N32 Y33 I38	V10-L30 HydrophobicContact CB-CD1 4.28Å; V10-L30 HydrophobicContact CG2-CD1 3.65Å; F13-L30 HydrophobicContact CB-CD1 4.26Å; V26-L30 HydrophobicContact CG1-CD1 3.96Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 PolarHBondContact O-N 3.32Å; L30-N32 PolarHBondContact O-N 2.56Å; L30-Y33 HydrophobicContact CB-CD2 4.36Å; L30-Y33 PolarHBondContact O-N 3.35Å; L30-I38 HydrophobicContact CB-CD1 4.42Å
31	K	90.4	Very high	93.4	Very high	173 Å²	173	64.4 Å²	64.4	75%	0.752	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.9	-175.9	-61.1	-177.6	-178.6	176.8	0	115.1	N28 Y33	N28-K31 VanDerWaalsContact O-CE 3.23Å; N28-K31 WeakPolarHBondContact O-CE 3.04Å; N28-K31 WeakPolarHBondContact O-CG 3.47Å; K31-Y33 PolarHBondContact O-N 3.38Å
32	N	90	Very high	93.3	Very high	146 Å²	146	62.8 Å²	62.8	78%	0.781	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-11.9	-178	-60.8	-18.6	0	0	0	113	L30	L30-N32 PolarHBondContact O-N 2.56Å
33	Y	90.7	Very high	93.3	Very high	54 Å²	54	64.2 Å²	64.2	21%	0.212	34%	0.343	C	S	.	.	S	Bend	trans	-121.4	142.6	-176.1	-57.8	-68.8	0	0	0	111.5	C6 D9 L30 K31	C6-Y33 VanDerWaalsContact CA-CZ 3.5Å; C6-Y33 HydrophobicContact CB-CD1 3.56Å; C6-Y33 HydrophobicContact CB-CD2 4.3Å; C6-Y33 HydrophobicContact CB-CE1 3.6Å; C6-Y33 HydrophobicContact CB-CE2 4.34Å; C6-Y33 HydrophobicContact CB-CG 3.94Å; D9-Y33 HydrophobicContact CB-CE2 3.89Å; D9-Y33 VanDerWaalsContact OD2-CE2 3.26Å; D9-Y33 WeakPolarHBondContact OD2-CE2 3.39Å; D9-Y33 VanDerWaalsContact OD2-CZ 3.31Å; D9-Y33 PolarHBondContact OD2-OH 3.28Å; L30-Y33 HydrophobicContact CB-CD2 4.36Å; L30-Y33 PolarHBondContact O-N 3.35Å; K31-Y33 PolarHBondContact O-N 3.38Å
34	G	90.8	Very high	93.4	Very high	48 Å²	48	65.4 Å²	65.4	50%	0.495	35%	0.349	S	S	.	.			trans	-71.4	153.2	174.8	0	0	0	0	0	112.1	T36 G37 I38	G34-T36 PolarHBondContact O-N 3.03Å; G34-T36 VanDerWaalsContact O-N 3.11Å; G34-G37 WeakPolarHBondContact O-CA 3.36Å; G34-G37 PolarHBondContact O-N 3.36Å; G34-I38 PolarHBondContact O-N 3.46Å
35	K	92.3	Very high	93.5	Very high	135 Å²	135	60.6 Å²	60.6	59%	0.587	32%	0.324	S	S	*	.	H	α-helix	trans	-51.1	-37.7	178.7	-176.7	179.3	179.6	-177.2	0	113.4	V23 S39	V23-K35 HydrophobicContact CG1-CG 4.27Å; K35-S39 WeakPolarHBondContact O-CB 3.41Å; K35-S39 PolarHBondContact O-N 3.44Å; K35-S39 PolarHBondContact O-OG 3.43Å
36	T	92.2	Very high	93.5	Very high	106 Å²	106	58.9 Å²	58.9	65%	0.65	32%	0.316	S	S	*	.	H	α-helix	trans	-67.6	-39.2	177.3	49.5	0	0	0	0	112.6	G34 R40	G34-T36 PolarHBondContact O-N 3.03Å; G34-T36 VanDerWaalsContact O-N 3.11Å; T36-R40 WeakPolarHBondContact O-CG 3.43Å; T36-R40 PolarHBondContact O-N 2.92Å; T36-R40 VanDerWaalsContact O-N 3.08Å
37	G	92.4	Very high	93.4	Very high	19 Å²	19	66.7 Å²	66.7	20%	0.196	35%	0.353	C	S	.	.	H	α-helix	trans	-66.3	-44.5	175.3	0	0	0	0	0	111.8	G34 R40 A41	G34-G37 WeakPolarHBondContact O-CA 3.36Å; G34-G37 PolarHBondContact O-N 3.36Å; G37-R40 PolarHBondContact O-N 2.82Å; G37-A41 WeakPolarHBondContact O-CB 3.48Å; G37-A41 PolarHBondContact O-N 2.87Å
38	I	94.9	Very high	93.4	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65.4	-42.7	176.9	-67	171.5	0	0	0	111.3	V23 V26 C27 L30 G34 R40 A41 L42	V23-I38 HydrophobicContact CG1-CG2 4.39Å; V26-I38 HydrophobicContact CB-CG2 3.98Å; V26-I38 HydrophobicContact CG1-CD1 4.48Å; V26-I38 HydrophobicContact CG1-CG2 3.57Å; C27-I38 HydrophobicContact CB-CD1 4.13Å; L30-I38 HydrophobicContact CB-CD1 4.42Å; G34-I38 PolarHBondContact O-N 3.46Å; I38-R40 PolarHBondContact O-N 3.45Å; I38-A41 PolarHBondContact O-N 3.01Å; I38-L42 HydrophobicContact CG2-CD1 3.91Å; I38-L42 HydrophobicContact CG2-CG 4.32Å; I38-L42 WeakPolarHBondContact O-CB 3.32Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.28Å; I38-L42 PolarHBondContact O-N 2.95Å
39	S	93.9	Very high	93.4	Very high	32 Å²	32	67.2 Å²	67.2	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-61.7	-45.6	178.2	-55.4	0	0	0	0	111.1	V23 K35 L42 D43	V23-S39 WeakPolarHBondContact CG1-OG 3.24Å; K35-S39 WeakPolarHBondContact O-CB 3.41Å; K35-S39 PolarHBondContact O-N 3.44Å; K35-S39 PolarHBondContact O-OG 3.43Å; S39-L42 PolarHBondContact O-N 3Å; S39-D43 VanDerWaalsContact O-CG 3.26Å; S39-D43 PolarHBondContact O-N 3.49Å
40	R	94.2	Very high	93.4	Very high	170 Å²	170	65.1 Å²	65.1	64%	0.642	34%	0.34	S	S	*	.	H	α-helix	trans	-62	-45.2	174.7	-73.7	177.6	-179.1	176.9	-0.3	112.2	T36 G37 I38 L42 D43 D44	T36-R40 WeakPolarHBondContact O-CG 3.43Å; T36-R40 PolarHBondContact O-N 2.92Å; T36-R40 VanDerWaalsContact O-N 3.08Å; G37-R40 PolarHBondContact O-N 2.82Å; I38-R40 PolarHBondContact O-N 3.45Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 3.31Å; R40-D43 PolarHBondContact O-N 3.08Å; R40-D44 WeakPolarHBondContact O-CB 3.42Å; R40-D44 PolarHBondContact O-N 3.44Å
41	A	94.9	Very high	93.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-39.1	177.2	0	0	0	0	0	112.4	K7 V10 G37 I38 L45	K7-A41 HydrophobicContact CB-CB 4.22Å; V10-A41 HydrophobicContact CG2-CB 4.29Å; G37-A41 WeakPolarHBondContact O-CB 3.48Å; G37-A41 PolarHBondContact O-N 2.87Å; I38-A41 PolarHBondContact O-N 3.01Å; A41-L45 WeakPolarHBondContact O-CB 3.37Å; A41-L45 WeakPolarHBondContact O-CD1 3.41Å; A41-L45 WeakPolarHBondContact O-CG 3.25Å; A41-L45 PolarHBondContact O-N 3.4Å
42	L	95.6	Very high	93.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-46.6	175.2	-75.4	170.1	0	0	0	111.7	V10 F14 V23 I38 S39 R40 L45 V46 I51 Y62	V10-L42 HydrophobicContact CG1-CD2 3.8Å; V10-L42 HydrophobicContact CG1-CG 4.33Å; F14-L42 HydrophobicContact CD2-CD2 4.48Å; F14-L42 HydrophobicContact CE2-CD2 3.61Å; F14-L42 HydrophobicContact CZ-CD2 4.02Å; V23-L42 HydrophobicContact CB-CD1 4.39Å; V23-L42 HydrophobicContact CG1-CD1 4.46Å; V23-L42 HydrophobicContact CG2-CD1 3.89Å; I38-L42 HydrophobicContact CG2-CD1 3.91Å; I38-L42 HydrophobicContact CG2-CG 4.32Å; I38-L42 WeakPolarHBondContact O-CB 3.32Å; I38-L42 VanDerWaalsContact O-CG 3.28Å; I38-L42 WeakPolarHBondContact O-CG 3.28Å; I38-L42 PolarHBondContact O-N 2.95Å; S39-L42 PolarHBondContact O-N 3Å; R40-L42 VanDerWaalsContact C-N 3.3Å; R40-L42 PolarHBondContact O-N 3.31Å; L42-L45 PolarHBondContact O-N 3.2Å; L42-V46 WeakPolarHBondContact O-CB 3.24Å; L42-V46 VanDerWaalsContact O-CG2 3.23Å; L42-V46 WeakPolarHBondContact O-CG2 3.14Å; L42-V46 PolarHBondContact O-N 3.23Å; L42-I51 HydrophobicContact CD2-CD1 4.17Å; L42-Y62 HydrophobicContact CB-CD1 4.13Å; L42-Y62 HydrophobicContact CB-CE1 3.8Å; L42-Y62 HydrophobicContact CD1-CD2 3.94Å; L42-Y62 HydrophobicContact CD1-CE1 4.44Å; L42-Y62 HydrophobicContact CD1-CE2 3.86Å; L42-Y62 HydrophobicContact CD1-CG 4.28Å; L42-Y62 HydrophobicContact CD2-CD1 3.98Å; L42-Y62 HydrophobicContact CD2-CD2 4.39Å; L42-Y62 HydrophobicContact CD2-CE1 4.48Å; L42-Y62 HydrophobicContact CD2-CG 3.92Å; L42-Y62 HydrophobicContact CG-CD1 4.45Å; L42-Y62 HydrophobicContact CG-CE1 4.47Å
43	D	94.5	Very high	94	Very high	60 Å²	60	57.2 Å²	57.2	32%	0.321	30%	0.298	S	S	.	.	H	α-helix	trans	-60.9	-45.7	176.7	-64.2	-29.3	0	0	0	110.4	S39 R40 L45 V46 E47 K60	S39-D43 VanDerWaalsContact O-CG 3.26Å; S39-D43 PolarHBondContact O-N 3.49Å; R40-D43 PolarHBondContact O-N 3.08Å; D43-L45 VanDerWaalsContact C-N 3.32Å; D43-L45 PolarHBondContact O-N 2.88Å; D43-V46 WeakPolarHBondContact O-CB 3.31Å; D43-V46 PolarHBondContact O-N 3.41Å; D43-V46 VanDerWaalsContact O-N 3.17Å; D43-E47 WeakPolarHBondContact O-CG 3.32Å; D43-E47 PolarHBondContact O-N 3.47Å; D43-K60 IonicContact OD1-NZ 3.95Å
44	D	95.3	Very high	94.2	Very high	46 Å²	46	60.5 Å²	60.5	25%	0.246	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-38.2	175.4	-67.6	-15.5	0	0	0	112.3	N3 K7 R40 E48	N3-D44 PolarHBondContact ND2-OD2 3.19Å; K7-D44 HydrophobicContact CD-CB 4.12Å; R40-D44 WeakPolarHBondContact O-CB 3.42Å; R40-D44 PolarHBondContact O-N 3.44Å; D44-E48 WeakPolarHBondContact O-CG 3.34Å; D44-E48 PolarHBondContact O-N 3.31Å; D44-E48 VanDerWaalsContact O-N 3.08Å
45	L	95.5	Very high	94.3	Very high	1 Å²	1	61.3 Å²	61.3	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-76.3	-27	178.6	-73.9	168.7	0	0	0	112.9	K7 V10 L11 A41 L42 D43 G49 S50 I51	K7-L45 HydrophobicContact CD-CD2 4.34Å; K7-L45 HydrophobicContact CD-CG 4.47Å; K7-L45 HydrophobicContact CG-CD1 4.19Å; K7-L45 HydrophobicContact CG-CD2 3.76Å; K7-L45 HydrophobicContact CG-CG 3.79Å; V10-L45 HydrophobicContact CB-CD1 4.06Å; V10-L45 HydrophobicContact CG1-CD1 3.69Å; L11-L45 HydrophobicContact CB-CD1 4.1Å; L11-L45 HydrophobicContact CB-CD2 4.02Å; L11-L45 HydrophobicContact CD1-CD2 4.15Å; L11-L45 HydrophobicContact CD2-CD2 4.16Å; L11-L45 HydrophobicContact CG-CD2 4.34Å; A41-L45 WeakPolarHBondContact O-CB 3.37Å; A41-L45 WeakPolarHBondContact O-CD1 3.41Å; A41-L45 WeakPolarHBondContact O-CG 3.25Å; A41-L45 PolarHBondContact O-N 3.4Å; L42-L45 PolarHBondContact O-N 3.2Å; D43-L45 VanDerWaalsContact C-N 3.32Å; D43-L45 PolarHBondContact O-N 2.88Å; L45-G49 PolarHBondContact O-N 3.48Å; L45-S50 PolarHBondContact O-N 2.95Å; L45-I51 HydrophobicContact CB-CB 4.25Å; L45-I51 HydrophobicContact CB-CD1 3.91Å; L45-I51 HydrophobicContact CB-CG1 4.09Å; L45-I51 HydrophobicContact CD1-CD1 3.61Å; L45-I51 HydrophobicContact CD1-CG1 4.49Å; L45-I51 HydrophobicContact CG-CD1 4.35Å; L45-I51 PolarHBondContact O-N 2.99Å; L45-I51 VanDerWaalsContact O-N 3.15Å
46	V	95.3	Very high	94.3	Very high	35 Å²	35	61 Å²	61	21%	0.212	31%	0.312	C	S	.	.	H	α-helix	trans	-71.3	-43.9	171.3	168	0	0	0	0	110.2	L42 D43 E48 G49 I51 E53 Y62	L42-V46 WeakPolarHBondContact O-CB 3.24Å; L42-V46 VanDerWaalsContact O-CG2 3.23Å; L42-V46 WeakPolarHBondContact O-CG2 3.14Å; L42-V46 PolarHBondContact O-N 3.23Å; D43-V46 WeakPolarHBondContact O-CB 3.31Å; D43-V46 PolarHBondContact O-N 3.41Å; D43-V46 VanDerWaalsContact O-N 3.17Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 3.34Å; V46-G49 WeakPolarHBondContact O-CA 3.44Å; V46-G49 PolarHBondContact O-N 2.98Å; V46-I51 WeakPolarHBondContact CA-O 3.43Å; V46-I51 HydrophobicContact CG2-CB 4.47Å; V46-I51 HydrophobicContact CG2-CG2 4.33Å; V46-E53 HydrophobicContact CG1-CB 4.42Å; V46-E53 HydrophobicContact CG1-CG 3.8Å; V46-E53 HydrophobicContact CG2-CB 3.9Å; V46-E53 HydrophobicContact CG2-CG 4.19Å; V46-Y62 HydrophobicContact CG2-CD1 3.86Å; V46-Y62 HydrophobicContact CG2-CE1 3.89Å
47	E	94.7	Very high	94.3	Very high	164 Å²	164	60 Å²	60	77%	0.766	32%	0.321	S	S	*	.	H	α-helix	trans	-61.3	-40.5	174.5	-73.5	-176.7	-176	0	0	112.2	D43 G49	D43-E47 WeakPolarHBondContact O-CG 3.32Å; D43-E47 PolarHBondContact O-N 3.47Å; E47-G49 PolarHBondContact O-N 3.24Å
48	E	93.6	Very high	94.2	Very high	111 Å²	111	69.4 Å²	69.4	52%	0.519	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.7	172.9	-76.1	-179.1	175.4	0	0	114.2	K7 D44 V46 S50	K7-E48 VanDerWaalsContact CE-CD 3.43Å; K7-E48 WeakPolarHBondContact CE-OE1 3.43Å; K7-E48 WeakPolarHBondContact CE-OE2 3.37Å; K7-E48 IonicContact NZ-OE1 3.95Å; K7-E48 PolarHBondContact NZ-OE1 3.47Å; K7-E48 IonicContact NZ-OE2 3.28Å; K7-E48 PolarHBondContact NZ-OE2 2.99Å; K7-E48 VanDerWaalsContact NZ-OE2 3.14Å; D44-E48 WeakPolarHBondContact O-CG 3.34Å; D44-E48 PolarHBondContact O-N 3.31Å; D44-E48 VanDerWaalsContact O-N 3.08Å; V46-E48 VanDerWaalsContact C-N 3.34Å; V46-E48 PolarHBondContact O-N 3.34Å; E48-S50 PolarHBondContact O-N 2.79Å
49	G	93.2	Very high	94.1	Very high	30 Å²	30	76.3 Å²	76.3	31%	0.309	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	20.2	-175.8	0	0	0	0	0	113.8	L45 V46 E47 K68	L45-G49 PolarHBondContact O-N 3.48Å; V46-G49 WeakPolarHBondContact O-CA 3.44Å; V46-G49 PolarHBondContact O-N 2.98Å; E47-G49 PolarHBondContact O-N 3.24Å; G49-K68 WeakPolarHBondContact O-CE 3.49Å; G49-K68 PolarHBondContact O-NZ 3.34Å
50	S	93.5	Very high	94.1	Very high	8 Å²	8	78.5 Å²	78.5	6%	0.056	40%	0.395	C	S	.	.	S	Bend	trans	-77.2	-31.1	173.2	-65	0	0	0	0	112.7	L45 E48 D65 K68	L45-S50 PolarHBondContact O-N 2.95Å; E48-S50 PolarHBondContact O-N 2.79Å; S50-D65 PolarHBondContact O-N 3.09Å; S50-D65 VanDerWaalsContact O-N 3.08Å; S50-K68 PolarHBondContact OG-NZ 2.91Å
51	I	95.6	Very high	94.2	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.01	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.1	178.6	-65.3	-179.3	0	0	0	107.4	V10 F14 L42 L45 V46 Y62 V63	V10-I51 HydrophobicContact CG1-CD1 4.38Å; F14-I51 HydrophobicContact CB-CD1 4.1Å; F14-I51 HydrophobicContact CD1-CD1 4.43Å; F14-I51 HydrophobicContact CD2-CD1 3.5Å; F14-I51 HydrophobicContact CE2-CD1 4.01Å; F14-I51 HydrophobicContact CG-CD1 3.75Å; F14-I51 HydrophobicContact CG-CG1 4.46Å; L42-I51 HydrophobicContact CD2-CD1 4.17Å; L45-I51 HydrophobicContact CB-CB 4.25Å; L45-I51 HydrophobicContact CB-CD1 3.91Å; L45-I51 HydrophobicContact CB-CG1 4.09Å; L45-I51 HydrophobicContact CD1-CD1 3.61Å; L45-I51 HydrophobicContact CD1-CG1 4.49Å; L45-I51 HydrophobicContact CG-CD1 4.35Å; L45-I51 PolarHBondContact O-N 2.99Å; L45-I51 VanDerWaalsContact O-N 3.15Å; V46-I51 WeakPolarHBondContact CA-O 3.43Å; V46-I51 HydrophobicContact CG2-CB 4.47Å; V46-I51 HydrophobicContact CG2-CG2 4.33Å; I51-Y62 HydrophobicContact CG2-CD1 4.07Å; I51-Y62 HydrophobicContact CG2-CG 4.4Å; I51-V63 CarbonylContact C-O 3.57Å; I51-V63 WeakPolarHBondContact CA-O 3.47Å; I51-V63 WeakPolarHBondContact CG2-O 3.48Å
52	K	94.9	Very high	94.3	Very high	103 Å²	103	72.6 Å²	72.6	45%	0.448	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.5	172.3	-73.8	172.4	172	159.1	0	109.2	Y62 V63 D65 N67	K52-Y62 WeakPolarHBondContact O-CA 3.34Å; K52-V63 PolarHBondContact N-O 2.86Å; K52-V63 PolarHBondContact O-N 2.94Å; K52-D65 VanDerWaalsContact CE-CG 3.45Å; K52-D65 VanDerWaalsContact CE-OD1 3.26Å; K52-D65 WeakPolarHBondContact CE-OD1 3.37Å; K52-D65 WeakPolarHBondContact CE-OD2 3.49Å; K52-D65 HydrophobicContact CG-CB 4.48Å; K52-D65 VanDerWaalsContact NZ-CG 3.34Å; K52-D65 IonicContact NZ-OD1 2.69Å; K52-D65 PolarHBondContact NZ-OD1 3.33Å; K52-D65 IonicContact NZ-OD2 3.45Å; K52-D65 PolarHBondContact NZ-OD2 3.5Å; K52-N67 PolarHBondContact NZ-ND2 3.41Å
53	E	95.3	Very high	94.3	Very high	78 Å²	78	74.9 Å²	74.9	36%	0.364	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.3	169.8	69.7	171.4	-164.2	0	0	111.5	V46 K60 V61 Y62	V46-E53 HydrophobicContact CG1-CB 4.42Å; V46-E53 HydrophobicContact CG1-CG 3.8Å; V46-E53 HydrophobicContact CG2-CB 3.9Å; V46-E53 HydrophobicContact CG2-CG 4.19Å; E53-K60 IonicContact OE1-NZ 3.5Å; E53-K60 WeakPolarHBondContact OE2-CD 3.48Å; E53-K60 WeakPolarHBondContact OE2-CE 3.31Å; E53-K60 IonicContact OE2-NZ 2.78Å; E53-K60 PolarHBondContact OE2-NZ 3.18Å; E53-V61 CarbonylContact C-O 3.57Å; E53-V61 WeakPolarHBondContact CA-O 3.29Å; E53-Y62 HydrophobicContact CB-CD1 3.84Å; E53-Y62 HydrophobicContact CB-CE1 3.77Å
54	K	95.1	Very high	94.4	Very high	122 Å²	122	72.8 Å²	72.8	53%	0.53	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	119.4	167.7	-170.6	167.7	-179.8	-172.1	0	109.2	Y56 V61	K54-Y56 HydrophobicContact CB-CE2 4.3Å; K54-Y56 HydrophobicContact CD-CE2 4Å; K54-Y56 WeakPolarHBondContact CD-OH 3.48Å; K54-Y56 VanDerWaalsContact CE-OH 3.27Å; K54-Y56 WeakPolarHBondContact CE-OH 3.45Å; K54-Y56 HydrophobicContact CG-CD2 4.49Å; K54-Y56 HydrophobicContact CG-CE2 3.9Å; K54-Y56 PolarHBondContact NZ-OH 3.34Å; K54-Y56 VanDerWaalsContact NZ-OH 3.13Å; K54-V61 PolarHBondContact N-O 3.37Å; K54-V61 PolarHBondContact O-N 2.92Å
55	A	93.6	Very high	94.3	Very high	65 Å²	65	71.4 Å²	71.4	54%	0.537	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	130	177.3	0	0	0	0	0	111
56	Y	92.7	Very high	94.1	Very high	130 Å²	130	75.8 Å²	75.8	51%	0.51	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	86.1	170.4	-68.5	-79.7	0	0	0	108.5	K54 K58 Q59 V61	K54-Y56 HydrophobicContact CB-CE2 4.3Å; K54-Y56 HydrophobicContact CD-CE2 4Å; K54-Y56 WeakPolarHBondContact CD-OH 3.48Å; K54-Y56 VanDerWaalsContact CE-OH 3.27Å; K54-Y56 WeakPolarHBondContact CE-OH 3.45Å; K54-Y56 HydrophobicContact CG-CD2 4.49Å; K54-Y56 HydrophobicContact CG-CE2 3.9Å; K54-Y56 PolarHBondContact NZ-OH 3.34Å; K54-Y56 VanDerWaalsContact NZ-OH 3.13Å; Y56-K58 PolarHBondContact O-N 2.97Å; Y56-Q59 CarbonylContact C-O 3.6Å; Y56-Q59 PolarHBondContact N-O 2.85Å; Y56-Q59 PolarHBondContact O-N 3.41Å; Y56-V61 HydrophobicContact CD2-CG2 4.03Å; Y56-V61 HydrophobicContact CE2-CB 4.44Å; Y56-V61 HydrophobicContact CE2-CG2 4.19Å
57	G	92.7	Very high	93.9	Very high	83 Å²	83	80.5 Å²	80.5	86%	0.856	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	-109	-176.1	0	0	0	0	0	111.8
58	K	89.9	Confident	93.5	Very high	218 Å²	218	77.3 Å²	77.3	95%	0.948	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.3	178.2	-65.1	-177.6	-178.8	178.4	0	114	Y56	Y56-K58 PolarHBondContact O-N 2.97Å
59	Q	91.8	Very high	93.1	Very high	145 Å²	145	74.2 Å²	74.2	68%	0.678	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	144.2	-176.8	-67.8	-179.5	-16.7	0	0	110.6	Y56	Y56-Q59 CarbonylContact C-O 3.6Å; Y56-Q59 PolarHBondContact N-O 2.85Å; Y56-Q59 PolarHBondContact O-N 3.41Å
60	K	95	Very high	92.6	Very high	78 Å²	78	78.5 Å²	78.5	34%	0.339	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136	173.8	-67.2	-177.1	170.9	-158.4	0	109.7	D43 E53 Y62	D43-K60 IonicContact OD1-NZ 3.95Å; E53-K60 IonicContact OE1-NZ 3.5Å; E53-K60 WeakPolarHBondContact OE2-CD 3.48Å; E53-K60 WeakPolarHBondContact OE2-CE 3.31Å; E53-K60 IonicContact OE2-NZ 2.78Å; E53-K60 PolarHBondContact OE2-NZ 3.18Å; K60-Y62 HydrophobicContact CB-CE2 3.7Å; K60-Y62 VanDerWaalsContact CD-OH 3.27Å; K60-Y62 WeakPolarHBondContact CD-OH 3.3Å
61	V	96.2	Very high	91.9	Very high	41 Å²	41	83.9 Å²	83.9	25%	0.248	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.4	173.1	179.3	0	0	0	0	108.3	P20 E53 K54 Y56	P20-V61 HydrophobicContact CB-CG1 3.72Å; E53-V61 CarbonylContact C-O 3.57Å; E53-V61 WeakPolarHBondContact CA-O 3.29Å; K54-V61 PolarHBondContact N-O 3.37Å; K54-V61 PolarHBondContact O-N 2.92Å; Y56-V61 HydrophobicContact CD2-CG2 4.03Å; Y56-V61 HydrophobicContact CE2-CB 4.44Å; Y56-V61 HydrophobicContact CE2-CG2 4.19Å
62	Y	97	Very high	90.9	Very high	5 Å²	5	91.1 Å²	91.1	2%	0.02	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141	-176.8	-61.6	-91.7	0	0	0	108.9	F14 P20 F21 V23 L42 V46 I51 K52 E53 K60	F14-Y62 WeakPolarHBondContact CE1-O 3.48Å; P20-Y62 WeakPolarHBondContact CA-O 3.4Å; F21-Y62 PolarHBondContact N-O 2.71Å; F21-Y62 PolarHBondContact O-N 2.63Å; V23-Y62 HydrophobicContact CG2-CD2 4.42Å; V23-Y62 HydrophobicContact CG2-CE2 3.57Å; L42-Y62 HydrophobicContact CB-CD1 4.13Å; L42-Y62 HydrophobicContact CB-CE1 3.8Å; L42-Y62 HydrophobicContact CD1-CD2 3.94Å; L42-Y62 HydrophobicContact CD1-CE1 4.44Å; L42-Y62 HydrophobicContact CD1-CE2 3.86Å; L42-Y62 HydrophobicContact CD1-CG 4.28Å; L42-Y62 HydrophobicContact CD2-CD1 3.98Å; L42-Y62 HydrophobicContact CD2-CD2 4.39Å; L42-Y62 HydrophobicContact CD2-CE1 4.48Å; L42-Y62 HydrophobicContact CD2-CG 3.92Å; L42-Y62 HydrophobicContact CG-CD1 4.45Å; L42-Y62 HydrophobicContact CG-CE1 4.47Å; V46-Y62 HydrophobicContact CG2-CD1 3.86Å; V46-Y62 HydrophobicContact CG2-CE1 3.89Å; I51-Y62 HydrophobicContact CG2-CD1 4.07Å; I51-Y62 HydrophobicContact CG2-CG 4.4Å; K52-Y62 WeakPolarHBondContact O-CA 3.34Å; E53-Y62 HydrophobicContact CB-CD1 3.84Å; E53-Y62 HydrophobicContact CB-CE1 3.77Å; K60-Y62 HydrophobicContact CB-CE2 3.7Å; K60-Y62 VanDerWaalsContact CD-OH 3.27Å; K60-Y62 WeakPolarHBondContact CD-OH 3.3Å
63	V	95.9	Very high	90.4	Very high	48 Å²	48	90 Å²	90	29%	0.291	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.5	178.5	-166	0	0	0	0	109	P20 I51 K52 D65	P20-V63 HydrophobicContact CB-CG2 3.76Å; I51-V63 CarbonylContact C-O 3.57Å; I51-V63 WeakPolarHBondContact CA-O 3.47Å; I51-V63 WeakPolarHBondContact CG2-O 3.48Å; K52-V63 PolarHBondContact N-O 2.86Å; K52-V63 PolarHBondContact O-N 2.94Å; V63-D65 PolarHBondContact O-N 3.49Å
64	Y	95.5	Very high	90	Very high	15 Å²	15	91.9 Å²	91.9	6%	0.059	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	136.2	171.7	-169.9	-97.4	0	0	0	110.6	L11 F14 E15 Q66 K68 L69	L11-Y64 HydrophobicContact CD1-CD2 4.07Å; L11-Y64 HydrophobicContact CD1-CE2 3.63Å; F14-Y64 HydrophobicContact CB-CD2 4.12Å; E15-Y64 HydrophobicContact CB-CD2 3.96Å; E15-Y64 HydrophobicContact CB-CE2 3.63Å; E15-Y64 HydrophobicContact CG-CE1 4.38Å; E15-Y64 HydrophobicContact CG-CE2 4Å; Y64-Q66 PolarHBondContact O-N 3.1Å; Y64-Q66 PolarHBondContact O-NE2 3.03Å; Y64-K68 HydrophobicContact CE1-CB 3.82Å; Y64-L69 HydrophobicContact CD1-CD1 4.44Å; Y64-L69 HydrophobicContact CD1-CD2 4.04Å; Y64-L69 HydrophobicContact CD1-CG 4.01Å; Y64-L69 HydrophobicContact CE1-CD2 3.62Å; Y64-L69 HydrophobicContact CE1-CG 3.82Å
65	D	94.1	Very high	89.8	Confident	17 Å²	17	90.7 Å²	90.7	9%	0.091	49%	0.485	C	S	.	.			trans	-67.9	110	178.4	-169.9	1.3	0	0	0	110.8	S50 K52 V63 N67 K68	S50-D65 PolarHBondContact O-N 3.09Å; S50-D65 VanDerWaalsContact O-N 3.08Å; K52-D65 VanDerWaalsContact CE-CG 3.45Å; K52-D65 VanDerWaalsContact CE-OD1 3.26Å; K52-D65 WeakPolarHBondContact CE-OD1 3.37Å; K52-D65 WeakPolarHBondContact CE-OD2 3.49Å; K52-D65 HydrophobicContact CG-CB 4.48Å; K52-D65 VanDerWaalsContact NZ-CG 3.34Å; K52-D65 IonicContact NZ-OD1 2.69Å; K52-D65 PolarHBondContact NZ-OD1 3.33Å; K52-D65 IonicContact NZ-OD2 3.45Å; K52-D65 PolarHBondContact NZ-OD2 3.5Å; V63-D65 PolarHBondContact O-N 3.49Å; D65-N67 PolarHBondContact O-N 3.03Å; D65-N67 VanDerWaalsContact O-N 3.09Å; D65-N67 WeakPolarHBondContact OD1-CB 3.2Å; D65-N67 PolarHBondContact OD1-N 3.42Å; D65-N67 VanDerWaalsContact OD1-N 3.1Å; D65-N67 PolarHBondContact OD1-ND2 3.08Å; D65-K68 HydrophobicContact CB-CG 4.39Å; D65-K68 WeakPolarHBondContact O-CB 3.3Å; D65-K68 PolarHBondContact O-N 3.5Å
66	Q	91.4	Very high	89.7	Confident	94 Å²	94	94 Å²	94	44%	0.439	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-60.1	-21.5	179.7	-58.2	-55.8	-72.3	0	0	113.1	N18 Y64 K68 L69	N18-Q66 PolarHBondContact ND2-OE1 2.92Å; N18-Q66 PolarHBondContact OD1-NE2 2.91Å; N18-Q66 PolarHBondContact OD1-OE1 3.11Å; Y64-Q66 PolarHBondContact O-N 3.1Å; Y64-Q66 PolarHBondContact O-NE2 3.03Å; Q66-K68 PolarHBondContact O-N 2.95Å; Q66-L69 PolarHBondContact O-N 3.05Å; Q66-L69 VanDerWaalsContact O-N 3.17Å
67	N	89.6	Confident	89.6	Confident	133 Å²	133	90.3 Å²	90.3	71%	0.711	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-65.4	-20.6	175	-65.2	-24.1	0	0	0	112.9	K52 D65	K52-N67 PolarHBondContact NZ-ND2 3.41Å; D65-N67 PolarHBondContact O-N 3.03Å; D65-N67 VanDerWaalsContact O-N 3.09Å; D65-N67 WeakPolarHBondContact OD1-CB 3.2Å; D65-N67 PolarHBondContact OD1-N 3.42Å; D65-N67 VanDerWaalsContact OD1-N 3.1Å; D65-N67 PolarHBondContact OD1-ND2 3.08Å
68	K	86.8	Confident	89.6	Confident	98 Å²	98	91.5 Å²	91.5	43%	0.426	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-86.6	-15.6	177	-62.7	-168.3	179.6	-165.4	0	112.8	G49 S50 Y64 D65 Q66	G49-K68 WeakPolarHBondContact O-CE 3.49Å; G49-K68 PolarHBondContact O-NZ 3.34Å; S50-K68 PolarHBondContact OG-NZ 2.91Å; Y64-K68 HydrophobicContact CE1-CB 3.82Å; D65-K68 HydrophobicContact CB-CG 4.39Å; D65-K68 WeakPolarHBondContact O-CB 3.3Å; D65-K68 PolarHBondContact O-N 3.5Å; Q66-K68 PolarHBondContact O-N 2.95Å
69	L	85.8	Confident	89.9	Confident	45 Å²	45	87.6 Å²	87.6	24%	0.236	44%	0.44	C	S	.	.	S	Bend	trans	-76.9	146.1	173.5	-62.8	178.8	0	0	0	109.7	N18 Y64 Q66 S71	N18-L69 WeakPolarHBondContact ND2-CD1 3.35Å; Y64-L69 HydrophobicContact CD1-CD1 4.44Å; Y64-L69 HydrophobicContact CD1-CD2 4.04Å; Y64-L69 HydrophobicContact CD1-CG 4.01Å; Y64-L69 HydrophobicContact CE1-CD2 3.62Å; Y64-L69 HydrophobicContact CE1-CG 3.82Å; Q66-L69 PolarHBondContact O-N 3.05Å; Q66-L69 VanDerWaalsContact O-N 3.17Å; L69-S71 PolarHBondContact O-N 3.05Å
70	P	82.4	Confident	90	Very high	120 Å²	120	85.3 Å²	85.3	78%	0.779	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-58.9	136.3	175.1	24.8	-33	0	0	0	110	F72	P70-F72 PolarHBondContact O-N 3.28Å
71	S	78.6	Confident	90.1	Very high	121 Å²	121	87.2 Å²	87.2	85%	0.846	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-57.6	133.7	173.8	-172.4	0	0	0	0	109.8	L69 D73	L69-S71 PolarHBondContact O-N 3.05Å; S71-D73 PolarHBondContact O-N 2.99Å
72	F	75.2	Confident	90.1	Very high	155 Å²	155	89.3 Å²	89.3	68%	0.68	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-64.3	121.7	178.7	-168.7	-102.1	0	0	0	110.2	P70 E74 I77	P70-F72 PolarHBondContact O-N 3.28Å; F72-E74 HydrophobicContact CD1-CG 4.37Å; F72-I77 HydrophobicContact CD1-CD1 3.93Å; F72-I77 HydrophobicContact CD2-CD1 3.96Å; F72-I77 HydrophobicContact CE1-CD1 3.15Å; F72-I77 HydrophobicContact CE2-CD1 3.18Å; F72-I77 HydrophobicContact CG-CD1 4.32Å; F72-I77 HydrophobicContact CZ-CD1 2.78Å; F72-I77 HydrophobicContact CZ-CG1 4.27Å
73	D	83.4	Confident	90.1	Very high	78 Å²	78	94.6 Å²	94.6	42%	0.417	48%	0.478	S	S	.	.			trans	-90.8	102.3	172.9	179.2	18.1	0	0	0	109.4	S71 N75 K76 I77	S71-D73 PolarHBondContact O-N 2.99Å; D73-N75 PolarHBondContact O-N 3Å; D73-N75 VanDerWaalsContact O-N 3.11Å; D73-N75 VanDerWaalsContact OD1-CB 3.23Å; D73-N75 WeakPolarHBondContact OD1-CB 3.45Å; D73-N75 PolarHBondContact OD1-N 2.92Å; D73-N75 PolarHBondContact OD1-ND2 3.37Å; D73-K76 HydrophobicContact CB-CB 4.1Å; D73-K76 WeakPolarHBondContact O-CB 3.46Å; D73-K76 PolarHBondContact O-N 3.46Å; D73-K76 PolarHBondContact OD2-N 2.96Å; D73-I77 PolarHBondContact O-N 3.17Å
74	E	87.9	Confident	90.2	Very high	119 Å²	119	97.3 Å²	97.3	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-53.9	-30.1	175	-66.4	-174.8	-173.8	0	0	112.4	F72 I77 K78	F72-E74 HydrophobicContact CD1-CG 4.37Å; E74-I77 PolarHBondContact O-N 2.96Å; E74-K78 WeakPolarHBondContact O-CG 3.27Å; E74-K78 PolarHBondContact O-N 3.48Å; E74-K78 IonicContact OE2-NZ 3.56Å
75	N	90.7	Very high	90.3	Very high	96 Å²	96	99.1 Å²	99.1	51%	0.513	51%	0.509	S	S	.	.	H	α-helix	trans	-69.3	-36	179.1	-56.8	-63.1	0	0	0	111.7	D73 I77 K79	D73-N75 PolarHBondContact O-N 3Å; D73-N75 VanDerWaalsContact O-N 3.11Å; D73-N75 VanDerWaalsContact OD1-CB 3.23Å; D73-N75 WeakPolarHBondContact OD1-CB 3.45Å; D73-N75 PolarHBondContact OD1-N 2.92Å; D73-N75 PolarHBondContact OD1-ND2 3.37Å; N75-I77 VanDerWaalsContact C-N 3.27Å; N75-I77 PolarHBondContact O-N 3.28Å; N75-K79 WeakPolarHBondContact O-CB 3.4Å; N75-K79 VanDerWaalsContact O-CG 3.24Å; N75-K79 WeakPolarHBondContact O-CG 3.43Å; N75-K79 PolarHBondContact O-N 3.42Å
76	K	90.7	Very high	90.4	Very high	135 Å²	135	102.5 Å²	102.5	59%	0.587	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-37.5	176.5	-170.7	176.1	179.7	-179.6	0	111.1	D73 K79 M80	D73-K76 HydrophobicContact CB-CB 4.1Å; D73-K76 WeakPolarHBondContact O-CB 3.46Å; D73-K76 PolarHBondContact O-N 3.46Å; D73-K76 PolarHBondContact OD2-N 2.96Å; K76-K79 WeakPolarHBondContact O-CB 3.47Å; K76-K79 PolarHBondContact O-N 3.2Å; K76-M80 HydrophobicContact CG-SD 4.46Å; K76-M80 VanDerWaalsContact O-CG 3.31Å; K76-M80 WeakPolarHBondContact O-CG 3.49Å; K76-M80 PolarHBondContact O-N 3.5Å
77	I	90.6	Very high	90.8	Very high	52 Å²	52	102.8 Å²	102.8	27%	0.267	53%	0.531	S	S	.	.	H	α-helix	trans	-73.3	-45.6	178.8	-74.8	163.7	0	0	0	111.7	F72 D73 E74 N75 K79 M80 E81	F72-I77 HydrophobicContact CD1-CD1 3.93Å; F72-I77 HydrophobicContact CD2-CD1 3.96Å; F72-I77 HydrophobicContact CE1-CD1 3.15Å; F72-I77 HydrophobicContact CE2-CD1 3.18Å; F72-I77 HydrophobicContact CG-CD1 4.32Å; F72-I77 HydrophobicContact CZ-CD1 2.78Å; F72-I77 HydrophobicContact CZ-CG1 4.27Å; D73-I77 PolarHBondContact O-N 3.17Å; E74-I77 PolarHBondContact O-N 2.96Å; N75-I77 VanDerWaalsContact C-N 3.27Å; N75-I77 PolarHBondContact O-N 3.28Å; I77-K79 PolarHBondContact O-N 2.99Å; I77-M80 CarbonylContact O-C 3.56Å; I77-M80 WeakPolarHBondContact O-CA 3.47Å; I77-M80 PolarHBondContact O-N 3.4Å; I77-E81 HydrophobicContact CG2-CG 4.22Å; I77-E81 WeakPolarHBondContact O-CG 3.39Å; I77-E81 PolarHBondContact O-N 3.31Å
78	K	93.6	Very high	91.1	Very high	108 Å²	108	99.8 Å²	99.8	47%	0.47	52%	0.521	S	S	.	.	H	α-helix	trans	-55.3	-40.1	172.7	-70.5	169.8	-176.2	163.1	0	111.2	E74 E81 V82	E74-K78 WeakPolarHBondContact O-CG 3.27Å; E74-K78 PolarHBondContact O-N 3.48Å; E74-K78 IonicContact OE2-NZ 3.56Å; K78-E81 PolarHBondContact O-N 2.9Å; K78-V82 VanDerWaalsContact O-CG2 3.25Å; K78-V82 WeakPolarHBondContact O-CG2 3.33Å; K78-V82 PolarHBondContact O-N 2.95Å
79	K	94.9	Very high	91.7	Very high	137 Å²	137	98.8 Å²	98.8	60%	0.596	52%	0.523	S	S	*	.	H	α-helix	trans	-62.5	-45.3	173.3	-75.2	171.6	-177.6	177	0	112.5	N75 K76 I77 V82 Q83	N75-K79 WeakPolarHBondContact O-CB 3.4Å; N75-K79 VanDerWaalsContact O-CG 3.24Å; N75-K79 WeakPolarHBondContact O-CG 3.43Å; N75-K79 PolarHBondContact O-N 3.42Å; K76-K79 WeakPolarHBondContact O-CB 3.47Å; K76-K79 PolarHBondContact O-N 3.2Å; I77-K79 PolarHBondContact O-N 2.99Å; K79-V82 PolarHBondContact O-N 2.92Å; K79-Q83 WeakPolarHBondContact O-CB 3.35Å; K79-Q83 VanDerWaalsContact O-CG 3.3Å; K79-Q83 WeakPolarHBondContact O-CG 3.4Å; K79-Q83 PolarHBondContact O-N 2.96Å
80	M	95.6	Very high	92.2	Very high	96 Å²	96	102.1 Å²	102.1	47%	0.473	54%	0.537	S	S	.	.	H	α-helix	trans	-65.6	-38.7	177.6	-71.5	175.2	70	0	0	112.2	K76 I77 Q83 N84	K76-M80 HydrophobicContact CG-SD 4.46Å; K76-M80 VanDerWaalsContact O-CG 3.31Å; K76-M80 WeakPolarHBondContact O-CG 3.49Å; K76-M80 PolarHBondContact O-N 3.5Å; I77-M80 CarbonylContact O-C 3.56Å; I77-M80 WeakPolarHBondContact O-CA 3.47Å; I77-M80 PolarHBondContact O-N 3.4Å; M80-Q83 PolarHBondContact O-N 3.4Å; M80-N84 WeakPolarHBondContact O-CB 3.43Å; M80-N84 VanDerWaalsContact O-CG 3.25Å; M80-N84 PolarHBondContact O-N 3.06Å; M80-N84 PolarHBondContact O-ND2 2.95Å
81	E	96.2	Very high	93	Very high	118 Å²	118	101.2 Å²	101.2	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-62.7	-45	174.9	-72.4	174.5	161.5	0	0	111.3	I77 K78 N84 A85	I77-E81 HydrophobicContact CG2-CG 4.22Å; I77-E81 WeakPolarHBondContact O-CG 3.39Å; I77-E81 PolarHBondContact O-N 3.31Å; K78-E81 PolarHBondContact O-N 2.9Å; E81-N84 PolarHBondContact O-N 3.36Å; E81-A85 WeakPolarHBondContact O-CB 3.33Å; E81-A85 PolarHBondContact O-N 3.49Å
82	V	96.2	Very high	93.9	Very high	85 Å²	85	98.1 Å²	98.1	52%	0.515	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-43.2	174.5	170.9	0	0	0	0	111.1	K78 K79 A85 N86	K78-V82 VanDerWaalsContact O-CG2 3.25Å; K78-V82 WeakPolarHBondContact O-CG2 3.33Å; K78-V82 PolarHBondContact O-N 2.95Å; K79-V82 PolarHBondContact O-N 2.92Å; V82-A85 PolarHBondContact O-N 2.93Å; V82-N86 WeakPolarHBondContact O-CB 3.33Å; V82-N86 PolarHBondContact O-N 3.34Å; V82-N86 PolarHBondContact O-ND2 3.33Å
83	Q	97.6	Very high	95	Very high	116 Å²	116	95.4 Å²	95.4	54%	0.542	49%	0.49	S	S	.	.	H	α-helix	trans	-61.2	-44.5	175.7	-76.4	176.9	-29.6	0	0	111.9	K79 M80 A85 N86 L87	K79-Q83 WeakPolarHBondContact O-CB 3.35Å; K79-Q83 VanDerWaalsContact O-CG 3.3Å; K79-Q83 WeakPolarHBondContact O-CG 3.4Å; K79-Q83 PolarHBondContact O-N 2.96Å; M80-Q83 PolarHBondContact O-N 3.4Å; Q83-A85 VanDerWaalsContact C-N 3.35Å; Q83-A85 PolarHBondContact O-N 3.25Å; Q83-N86 PolarHBondContact O-N 3.34Å; Q83-L87 WeakPolarHBondContact O-CB 3.49Å; Q83-L87 WeakPolarHBondContact O-CG 3.47Å; Q83-L87 PolarHBondContact O-N 2.57Å
84	N	97.3	Very high	95.6	Very high	106 Å²	106	96.7 Å²	96.7	57%	0.567	49%	0.494	S	S	*	.	H	α-helix	trans	-62.9	-41.6	176.9	-75.3	-16.1	0	0	0	111.8	M80 E81 S88	M80-N84 WeakPolarHBondContact O-CB 3.43Å; M80-N84 VanDerWaalsContact O-CG 3.25Å; M80-N84 PolarHBondContact O-N 3.06Å; M80-N84 PolarHBondContact O-ND2 2.95Å; E81-N84 PolarHBondContact O-N 3.36Å; N84-S88 WeakPolarHBondContact O-CB 3.47Å; N84-S88 PolarHBondContact O-N 3.17Å
85	A	97.1	Very high	96.1	Very high	52 Å²	52	95.6 Å²	95.6	43%	0.43	49%	0.489	S	S	.	.	H	α-helix	trans	-62.5	-46.6	176.2	0	0	0	0	0	111.4	E81 V82 Q83 S88 V89	E81-A85 WeakPolarHBondContact O-CB 3.33Å; E81-A85 PolarHBondContact O-N 3.49Å; V82-A85 PolarHBondContact O-N 2.93Å; Q83-A85 VanDerWaalsContact C-N 3.35Å; Q83-A85 PolarHBondContact O-N 3.25Å; A85-S88 PolarHBondContact O-N 2.82Å; A85-V89 WeakPolarHBondContact O-CG2 3.23Å; A85-V89 PolarHBondContact O-N 3.06Å
86	N	97.7	Very high	96.5	Very high	89 Å²	89	98 Å²	98	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-62.4	-48.7	178	-68.7	-11.7	0	0	0	111.8	V82 Q83 S88 V89 E90	V82-N86 WeakPolarHBondContact O-CB 3.33Å; V82-N86 PolarHBondContact O-N 3.34Å; V82-N86 PolarHBondContact O-ND2 3.33Å; Q83-N86 PolarHBondContact O-N 3.34Å; N86-S88 VanDerWaalsContact C-N 3.27Å; N86-S88 PolarHBondContact O-N 3.24Å; N86-V89 WeakPolarHBondContact O-CB 3.3Å; N86-V89 PolarHBondContact O-N 2.92Å; N86-V89 VanDerWaalsContact O-N 3.07Å; N86-E90 WeakPolarHBondContact O-CG 3.26Å; N86-E90 PolarHBondContact O-N 3.39Å
87	L	98.2	Very high	96.8	Very high	100 Å²	100	97 Å²	97	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-61.2	-36.5	177.3	-74.2	172	0	0	0	112	Q83 V89 E90 L91	Q83-L87 WeakPolarHBondContact O-CB 3.49Å; Q83-L87 WeakPolarHBondContact O-CG 3.47Å; Q83-L87 PolarHBondContact O-N 2.57Å; L87-V89 VanDerWaalsContact C-N 3.33Å; L87-E90 PolarHBondContact O-N 2.73Å; L87-L91 VanDerWaalsContact O-CB 3.3Å; L87-L91 WeakPolarHBondContact O-CB 3.3Å; L87-L91 PolarHBondContact O-N 3.07Å
88	S	97.5	Very high	97.1	Very high	69 Å²	69	99.4 Å²	99.4	48%	0.483	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-37.4	175.1	-172.2	0	0	0	0	111.9	N84 A85 N86 T92	N84-S88 WeakPolarHBondContact O-CB 3.47Å; N84-S88 PolarHBondContact O-N 3.17Å; A85-S88 PolarHBondContact O-N 2.82Å; N86-S88 VanDerWaalsContact C-N 3.27Å; N86-S88 PolarHBondContact O-N 3.24Å; S88-T92 VanDerWaalsContact O-CG2 3.3Å; S88-T92 WeakPolarHBondContact O-CG2 3.2Å; S88-T92 PolarHBondContact O-N 3.34Å
89	V	97.7	Very high	97.3	Very high	77 Å²	77	100.7 Å²	100.7	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-66.8	-51	175.3	172.8	0	0	0	0	110	A85 N86 L87 L91 T92 E93	A85-V89 WeakPolarHBondContact O-CG2 3.23Å; A85-V89 PolarHBondContact O-N 3.06Å; N86-V89 WeakPolarHBondContact O-CB 3.3Å; N86-V89 PolarHBondContact O-N 2.92Å; N86-V89 VanDerWaalsContact O-N 3.07Å; L87-V89 VanDerWaalsContact C-N 3.33Å; V89-L91 VanDerWaalsContact C-N 3.29Å; V89-L91 PolarHBondContact O-N 3.3Å; V89-T92 PolarHBondContact O-N 3.02Å; V89-T92 PolarHBondContact O-OG1 3.49Å; V89-E93 HydrophobicContact CG1-CG 4.47Å; V89-E93 PolarHBondContact O-N 3.5Å
90	E	97.9	Very high	97.4	Very high	115 Å²	115	96.7 Å²	96.7	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-55.1	-43.7	177.9	-72.1	176.6	-168.7	0	0	112	N86 L87 T92 E93 E94	N86-E90 WeakPolarHBondContact O-CG 3.26Å; N86-E90 PolarHBondContact O-N 3.39Å; L87-E90 PolarHBondContact O-N 2.73Å; E90-T92 VanDerWaalsContact C-N 3.34Å; E90-T92 PolarHBondContact O-N 2.96Å; E90-E93 PolarHBondContact O-N 3.12Å; E90-E94 WeakPolarHBondContact O-CB 3.43Å; E90-E94 PolarHBondContact O-N 3.46Å
91	L	98	Very high	97.5	Very high	102 Å²	102	96.1 Å²	96.1	53%	0.534	50%	0.5	S	S	.	.	H	α-helix	trans	-57.4	-46.5	175.7	-173.5	88	0	0	0	111.5	L87 V89 E93 E94 Q95	L87-L91 VanDerWaalsContact O-CB 3.3Å; L87-L91 WeakPolarHBondContact O-CB 3.3Å; L87-L91 PolarHBondContact O-N 3.07Å; V89-L91 VanDerWaalsContact C-N 3.29Å; V89-L91 PolarHBondContact O-N 3.3Å; L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 3.01Å; L91-E94 PolarHBondContact O-N 3.16Å; L91-Q95 WeakPolarHBondContact O-CB 3.4Å; L91-Q95 WeakPolarHBondContact O-CG 3.32Å; L91-Q95 PolarHBondContact O-N 3.41Å
92	T	97.6	Very high	97.5	Very high	56 Å²	56	94 Å²	94	34%	0.344	49%	0.493	S	S	.	.	H	α-helix	trans	-68.3	-33.9	-179	63.7	0	0	0	0	112.6	S88 V89 E90 K96	S88-T92 VanDerWaalsContact O-CG2 3.3Å; S88-T92 WeakPolarHBondContact O-CG2 3.2Å; S88-T92 PolarHBondContact O-N 3.34Å; V89-T92 PolarHBondContact O-N 3.02Å; V89-T92 PolarHBondContact O-OG1 3.49Å; E90-T92 VanDerWaalsContact C-N 3.34Å; E90-T92 PolarHBondContact O-N 2.96Å; T92-K96 WeakPolarHBondContact O-CG 3.44Å; T92-K96 PolarHBondContact O-N 3.45Å; T92-K96 VanDerWaalsContact O-N 3.16Å
93	E	97.8	Very high	97.5	Very high	97 Å²	97	95.2 Å²	95.2	45%	0.453	49%	0.493	S	S	.	.	H	α-helix	trans	-68.2	-45.6	175.1	-70.1	-179.1	174.8	0	0	111.4	V89 E90 L91 Q95 K96 K97	V89-E93 HydrophobicContact CG1-CG 4.47Å; V89-E93 PolarHBondContact O-N 3.5Å; E90-E93 PolarHBondContact O-N 3.12Å; L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 3.01Å; E93-Q95 VanDerWaalsContact C-N 3.33Å; E93-Q95 PolarHBondContact O-N 3.4Å; E93-K96 WeakPolarHBondContact O-CB 3.48Å; E93-K96 PolarHBondContact O-N 3.27Å; E93-K96 VanDerWaalsContact O-N 3.12Å; E93-K97 WeakPolarHBondContact O-CG 3.37Å; E93-K97 PolarHBondContact O-N 3Å
94	E	97.8	Very high	97.3	Very high	106 Å²	106	94.2 Å²	94.2	50%	0.495	49%	0.488	S	S	.	.	H	α-helix	trans	-66.7	-37.5	179.8	-158	56.3	-144.5	0	0	111.6	E90 L91 K96 K97 L98	E90-E94 WeakPolarHBondContact O-CB 3.43Å; E90-E94 PolarHBondContact O-N 3.46Å; L91-E94 PolarHBondContact O-N 3.16Å; E94-K96 VanDerWaalsContact C-N 3.31Å; E94-K96 PolarHBondContact O-N 2.91Å; E94-K97 PolarHBondContact O-N 2.88Å; E94-K97 IonicContact OE2-NZ 3.14Å; E94-K97 PolarHBondContact OE2-NZ 3Å; E94-L98 VanDerWaalsContact O-CB 3.32Å; E94-L98 WeakPolarHBondContact O-CB 3.3Å; E94-L98 PolarHBondContact O-N 3.29Å
95	Q	98.1	Very high	97.2	Very high	95 Å²	95	93.9 Å²	93.9	44%	0.444	49%	0.486	S	S	.	.	H	α-helix	trans	-61.1	-37.3	171.3	-76	173.8	-3.7	0	0	112.8	L91 E93 K99	L91-Q95 WeakPolarHBondContact O-CB 3.4Å; L91-Q95 WeakPolarHBondContact O-CG 3.32Å; L91-Q95 PolarHBondContact O-N 3.41Å; E93-Q95 VanDerWaalsContact C-N 3.33Å; E93-Q95 PolarHBondContact O-N 3.4Å; Q95-K99 VanDerWaalsContact O-CG 3.3Å; Q95-K99 WeakPolarHBondContact O-CG 3.32Å; Q95-K99 PolarHBondContact O-N 3.36Å
96	K	97.8	Very high	97	Very high	147 Å²	147	98.4 Å²	98.4	64%	0.639	50%	0.496	S	S	*	.	H	α-helix	trans	-67.9	-44.9	175.6	-74.8	170.5	-176.9	173.7	0	111.4	T92 E93 E94 L98 K99 S100	T92-K96 WeakPolarHBondContact O-CG 3.44Å; T92-K96 PolarHBondContact O-N 3.45Å; T92-K96 VanDerWaalsContact O-N 3.16Å; E93-K96 WeakPolarHBondContact O-CB 3.48Å; E93-K96 PolarHBondContact O-N 3.27Å; E93-K96 VanDerWaalsContact O-N 3.12Å; E94-K96 VanDerWaalsContact C-N 3.31Å; E94-K96 PolarHBondContact O-N 2.91Å; K96-L98 PolarHBondContact O-N 3.05Å; K96-K99 PolarHBondContact O-N 3.5Å; K96-S100 PolarHBondContact O-N 2.95Å
97	K	97.7	Very high	96.7	Very high	113 Å²	113	100.6 Å²	100.6	49%	0.491	50%	0.497	S	S	.	.	H	α-helix	trans	-59.7	-47	175.6	-66.2	177.7	-157.5	155.2	0	111.1	E93 E94 K99 S100 V101	E93-K97 WeakPolarHBondContact O-CG 3.37Å; E93-K97 PolarHBondContact O-N 3Å; E94-K97 PolarHBondContact O-N 2.88Å; E94-K97 IonicContact OE2-NZ 3.14Å; E94-K97 PolarHBondContact OE2-NZ 3Å; K97-K99 VanDerWaalsContact C-N 3.31Å; K97-K99 PolarHBondContact O-N 2.87Å; K97-S100 WeakPolarHBondContact O-CB 3.47Å; K97-S100 PolarHBondContact O-N 3.22Å; K97-S100 VanDerWaalsContact O-N 3.14Å; K97-V101 WeakPolarHBondContact O-CG2 3.38Å; K97-V101 PolarHBondContact O-N 3.14Å
98	L	97.7	Very high	96.3	Very high	104 Å²	104	100.8 Å²	100.8	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-60.7	-39.2	178.7	-176.2	138.8	0	0	0	112.1	E94 K96 N102	E94-L98 VanDerWaalsContact O-CB 3.32Å; E94-L98 WeakPolarHBondContact O-CB 3.3Å; E94-L98 PolarHBondContact O-N 3.29Å; K96-L98 PolarHBondContact O-N 3.05Å; L98-N102 VanDerWaalsContact CD2-ND2 3.26Å; L98-N102 WeakPolarHBondContact CD2-ND2 3.3Å; L98-N102 VanDerWaalsContact O-CB 3.3Å; L98-N102 WeakPolarHBondContact O-CB 3.26Å; L98-N102 PolarHBondContact O-N 3.27Å; L98-N102 PolarHBondContact O-ND2 3.46Å
99	K	97.3	Very high	95.8	Very high	134 Å²	134	102.5 Å²	102.5	58%	0.583	51%	0.51	S	S	*	.	H	α-helix	trans	-63	-48	172.9	-75.3	174.5	-178.6	-179.2	0	111.8	Q95 K96 K97 V101 N102 E103	Q95-K99 VanDerWaalsContact O-CG 3.3Å; Q95-K99 WeakPolarHBondContact O-CG 3.32Å; Q95-K99 PolarHBondContact O-N 3.36Å; K96-K99 PolarHBondContact O-N 3.5Å; K97-K99 VanDerWaalsContact C-N 3.31Å; K97-K99 PolarHBondContact O-N 2.87Å; K99-V101 PolarHBondContact O-N 3.31Å; K99-N102 PolarHBondContact O-N 2.89Å; K99-E103 WeakPolarHBondContact O-CG 3.5Å; K99-E103 PolarHBondContact O-N 2.94Å
100	S	97	Very high	95.3	Very high	53 Å²	53	103.7 Å²	103.7	37%	0.371	52%	0.522	S	S	.	.	H	α-helix	trans	-58.6	-48.2	178.4	-167.6	0	0	0	0	112.2	K96 K97 N102 E103 E104	K96-S100 PolarHBondContact O-N 2.95Å; K97-S100 WeakPolarHBondContact O-CB 3.47Å; K97-S100 PolarHBondContact O-N 3.22Å; K97-S100 VanDerWaalsContact O-N 3.14Å; S100-N102 VanDerWaalsContact C-N 3.34Å; S100-N102 PolarHBondContact O-N 2.85Å; S100-E103 PolarHBondContact O-N 3.36Å; S100-E104 WeakPolarHBondContact O-CG 3.27Å; S100-E104 PolarHBondContact O-N 2.84Å
101	V	97.4	Very high	94.7	Very high	85 Å²	85	101.2 Å²	101.2	52%	0.515	52%	0.517	S	S	.	.	H	α-helix	trans	-64.7	-39.2	179.2	173.8	0	0	0	0	111.1	K97 K99 E104 L105	K97-V101 WeakPolarHBondContact O-CG2 3.38Å; K97-V101 PolarHBondContact O-N 3.14Å; K99-V101 PolarHBondContact O-N 3.31Å; V101-E104 PolarHBondContact O-N 2.93Å; V101-L105 VanDerWaalsContact O-CB 3.32Å; V101-L105 WeakPolarHBondContact O-CB 3.38Å; V101-L105 PolarHBondContact O-N 3.48Å
102	N	96.5	Very high	93.9	Very high	74 Å²	74	100.7 Å²	100.7	40%	0.396	52%	0.515	S	S	.	.	H	α-helix	trans	-66.1	-36.6	175.3	-83.7	-52.7	0	0	0	112.8	L98 K99 S100 K106	L98-N102 VanDerWaalsContact CD2-ND2 3.26Å; L98-N102 WeakPolarHBondContact CD2-ND2 3.3Å; L98-N102 VanDerWaalsContact O-CB 3.3Å; L98-N102 WeakPolarHBondContact O-CB 3.26Å; L98-N102 PolarHBondContact O-N 3.27Å; L98-N102 PolarHBondContact O-ND2 3.46Å; K99-N102 PolarHBondContact O-N 2.89Å; S100-N102 VanDerWaalsContact C-N 3.34Å; S100-N102 PolarHBondContact O-N 2.85Å; N102-K106 WeakPolarHBondContact O-CB 3.35Å; N102-K106 VanDerWaalsContact O-CG 3.27Å; N102-K106 WeakPolarHBondContact O-CG 3.5Å; N102-K106 PolarHBondContact O-N 3Å
103	E	95.5	Very high	93.4	Very high	109 Å²	109	101.5 Å²	101.5	51%	0.509	52%	0.519	S	S	.	.	H	α-helix	trans	-67.6	-40.9	174.3	-72.2	174.2	-171.3	0	0	111.7	K99 S100 K106 R107	K99-E103 WeakPolarHBondContact O-CG 3.5Å; K99-E103 PolarHBondContact O-N 2.94Å; S100-E103 PolarHBondContact O-N 3.36Å; E103-K106 PolarHBondContact O-N 3.38Å; E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3Å
104	E	94.7	Very high	92.9	Very high	96 Å²	96	104.4 Å²	104.4	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-60.9	-47.3	172.5	-76.6	174	-164.4	0	0	111.8	S100 V101 K106 R107 V108	S100-E104 WeakPolarHBondContact O-CG 3.27Å; S100-E104 PolarHBondContact O-N 2.84Å; V101-E104 PolarHBondContact O-N 2.93Å; E104-K106 PolarHBondContact O-N 3.17Å; E104-R107 WeakPolarHBondContact O-CB 3.33Å; E104-R107 PolarHBondContact O-N 3.46Å; E104-V108 WeakPolarHBondContact O-CG2 3.32Å; E104-V108 PolarHBondContact O-N 2.97Å
105	L	94.6	Very high	92.4	Very high	99 Å²	99	107 Å²	107	52%	0.518	54%	0.543	S	S	.	.	H	α-helix	trans	-60.2	-46.3	177.5	-172.7	146	0	0	0	110.9	V101 R107 V108 T109	V101-L105 VanDerWaalsContact O-CB 3.32Å; V101-L105 WeakPolarHBondContact O-CB 3.38Å; V101-L105 PolarHBondContact O-N 3.48Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.45Å; L105-V108 PolarHBondContact O-N 3.25Å; L105-T109 WeakPolarHBondContact O-CB 3.42Å; L105-T109 PolarHBondContact O-N 3.29Å; L105-T109 PolarHBondContact O-OG1 2.95Å
106	K	93.5	Very high	92	Very high	147 Å²	147	107.1 Å²	107.1	64%	0.639	54%	0.543	S	S	*	.	H	α-helix	trans	-58.2	-43.2	175	-77.5	175.7	-178.4	-178.9	0	112.3	N102 E103 E104 S110	N102-K106 WeakPolarHBondContact O-CB 3.35Å; N102-K106 VanDerWaalsContact O-CG 3.27Å; N102-K106 WeakPolarHBondContact O-CG 3.5Å; N102-K106 PolarHBondContact O-N 3Å; E103-K106 PolarHBondContact O-N 3.38Å; E104-K106 PolarHBondContact O-N 3.17Å; K106-S110 WeakPolarHBondContact O-CB 3.19Å; K106-S110 PolarHBondContact O-N 3.38Å; K106-S110 PolarHBondContact O-OG 2.78Å; K106-S110 VanDerWaalsContact O-OG 3.12Å
107	R	90.9	Very high	91.7	Very high	134 Å²	134	102.1 Å²	102.1	51%	0.506	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-49.8	177.3	-74.6	-171.6	-62.8	-95	9.9	111.2	E103 E104 L105 S110 S111	E103-R107 WeakPolarHBondContact O-CG 3.39Å; E103-R107 PolarHBondContact O-N 3Å; E104-R107 WeakPolarHBondContact O-CB 3.33Å; E104-R107 PolarHBondContact O-N 3.46Å; L105-R107 VanDerWaalsContact C-N 3.32Å; L105-R107 PolarHBondContact O-N 3.45Å; R107-S110 PolarHBondContact O-N 2.82Å; R107-S110 PolarHBondContact O-OG 3.12Å; R107-S111 PolarHBondContact O-N 3.36Å
108	V	88.8	Confident	91.5	Very high	104 Å²	104	101.8 Å²	101.8	63%	0.63	53%	0.53	S	S	*	.	H	α-helix	trans	-67.9	-39.9	-178.2	177	0	0	0	0	112	E104 L105 S110 S111	E104-V108 WeakPolarHBondContact O-CG2 3.32Å; E104-V108 PolarHBondContact O-N 2.97Å; L105-V108 PolarHBondContact O-N 3.25Å; V108-S110 VanDerWaalsContact C-N 3.33Å; V108-S111 PolarHBondContact O-N 2.93Å; V108-S111 PolarHBondContact O-OG 2.69Å
109	T	87.9	Confident	91.3	Very high	106 Å²	106	103.3 Å²	103.3	65%	0.65	53%	0.532	S	S	*	.	H	α-helix	trans	-74	-24.5	177.7	-53.7	0	0	0	0	112.7	L105	L105-T109 WeakPolarHBondContact O-CB 3.42Å; L105-T109 PolarHBondContact O-N 3.29Å; L105-T109 PolarHBondContact O-OG1 2.95Å
110	S	86.8	Confident	91.1	Very high	101 Å²	101	101.6 Å²	101.6	71%	0.706	53%	0.526	S	S	*	.	H	α-helix	trans	-77.4	-21.4	173.8	70.8	0	0	0	0	113.6	K106 R107 V108	K106-S110 WeakPolarHBondContact O-CB 3.19Å; K106-S110 PolarHBondContact O-N 3.38Å; K106-S110 PolarHBondContact O-OG 2.78Å; K106-S110 VanDerWaalsContact O-OG 3.12Å; R107-S110 PolarHBondContact O-N 2.82Å; R107-S110 PolarHBondContact O-OG 3.12Å; V108-S110 VanDerWaalsContact C-N 3.33Å
111	S	85.8	Confident	91	Very high	64 Å²	64	103.4 Å²	103.4	45%	0.448	53%	0.531	S	S	.	.	S	Bend	trans	-78.4	149.1	173.1	55.1	0	0	0	0	111.1	R107 V108 T113	R107-S111 PolarHBondContact O-N 3.36Å; V108-S111 PolarHBondContact O-N 2.93Å; V108-S111 PolarHBondContact O-OG 2.69Å; S111-T113 PolarHBondContact O-N 2.77Å
112	L	81.5	Confident	90.9	Very high	91 Å²	91	102.7 Å²	102.7	48%	0.476	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-54	135.5	173.7	-74.5	164.1	0	0	0	110.2	E116 A117 E120	L112-E116 HydrophobicContact CD2-CB 3.89Å; L112-A117 HydrophobicContact CB-CB 4.36Å; L112-E120 WeakPolarHBondContact CD1-OE2 3.39Å
113	T	86.1	Confident	90.8	Very high	72 Å²	72	103.2 Å²	103.2	44%	0.442	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-64.9	156.6	169.5	62.8	0	0	0	0	109.7	S111 E115 E116 A117	S111-T113 PolarHBondContact O-N 2.77Å; T113-E115 PolarHBondContact O-N 3.41Å; T113-E116 WeakPolarHBondContact CB-OE2 3.17Å; T113-E116 PolarHBondContact N-OE2 3.35Å; T113-E116 PolarHBondContact O-N 2.95Å; T113-E116 WeakPolarHBondContact OG1-CB 3.45Å; T113-E116 WeakPolarHBondContact OG1-CG 3.48Å; T113-E116 PolarHBondContact OG1-N 3.47Å; T113-E116 PolarHBondContact OG1-OE2 2.91Å; T113-A117 WeakPolarHBondContact O-CB 2.99Å; T113-A117 PolarHBondContact O-N 2.91Å
114	K	87.3	Confident	90.9	Very high	158 Å²	158	102.4 Å²	102.4	69%	0.687	53%	0.529	S	S	*	.	H	α-helix	trans	-55.2	-40.1	178.9	-176.6	179.7	170.7	-173.9	0	111.9	A117 E118	K114-A117 PolarHBondContact O-N 3.19Å; K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 IonicContact NZ-OE1 3.09Å; K114-E118 WeakPolarHBondContact O-CB 3.44Å; K114-E118 VanDerWaalsContact O-CG 3.29Å; K114-E118 WeakPolarHBondContact O-CG 3.29Å; K114-E118 PolarHBondContact O-N 3.24Å
115	E	87.8	Confident	91	Very high	161 Å²	161	103.5 Å²	103.5	75%	0.752	53%	0.533	S	S	*	.	H	α-helix	trans	-67	-42.9	179.4	-62.1	-177.2	178.1	0	0	112.3	T113 E118 K119	T113-E115 PolarHBondContact O-N 3.41Å; E115-E118 PolarHBondContact O-N 3.36Å; E115-K119 WeakPolarHBondContact O-CB 3.4Å; E115-K119 PolarHBondContact O-N 2.94Å
116	E	89.6	Confident	91.1	Very high	97 Å²	97	105 Å²	105	45%	0.453	54%	0.537	S	S	.	.	H	α-helix	trans	-65	-43.6	175.3	-70.2	163.9	152.9	0	0	111.3	L112 T113 E118 K119 E120	L112-E116 HydrophobicContact CD2-CB 3.89Å; T113-E116 WeakPolarHBondContact CB-OE2 3.17Å; T113-E116 PolarHBondContact N-OE2 3.35Å; T113-E116 PolarHBondContact O-N 2.95Å; T113-E116 WeakPolarHBondContact OG1-CB 3.45Å; T113-E116 WeakPolarHBondContact OG1-CG 3.48Å; T113-E116 PolarHBondContact OG1-N 3.47Å; T113-E116 PolarHBondContact OG1-OE2 2.91Å; E116-E118 VanDerWaalsContact C-N 3.35Å; E116-E118 PolarHBondContact O-N 3.22Å; E116-K119 PolarHBondContact O-N 3.47Å; E116-E120 WeakPolarHBondContact O-CG 3.41Å; E116-E120 PolarHBondContact O-N 2.93Å
117	A	90.8	Very high	91.2	Very high	43 Å²	43	103.8 Å²	103.8	36%	0.355	53%	0.532	S	S	.	.	H	α-helix	trans	-62.4	-40.9	176.6	0	0	0	0	0	112	L112 T113 K114 L121	L112-A117 HydrophobicContact CB-CB 4.36Å; T113-A117 WeakPolarHBondContact O-CB 2.99Å; T113-A117 PolarHBondContact O-N 2.91Å; K114-A117 PolarHBondContact O-N 3.19Å; A117-L121 WeakPolarHBondContact O-CB 3.23Å; A117-L121 PolarHBondContact O-N 2.83Å
118	E	93.7	Very high	91.5	Very high	106 Å²	106	101.7 Å²	101.7	50%	0.495	53%	0.53	S	S	.	.	H	α-helix	trans	-64.1	-41.3	174.5	-77.6	175.6	-174.7	0	0	111.6	K114 E115 E116 L121 T122	K114-E118 WeakPolarHBondContact CE-OE1 3.48Å; K114-E118 IonicContact NZ-OE1 3.09Å; K114-E118 WeakPolarHBondContact O-CB 3.44Å; K114-E118 VanDerWaalsContact O-CG 3.29Å; K114-E118 WeakPolarHBondContact O-CG 3.29Å; K114-E118 PolarHBondContact O-N 3.24Å; E115-E118 PolarHBondContact O-N 3.36Å; E116-E118 VanDerWaalsContact C-N 3.35Å; E116-E118 PolarHBondContact O-N 3.22Å; E118-L121 PolarHBondContact O-N 2.74Å; E118-T122 WeakPolarHBondContact O-CG2 3.35Å; E118-T122 PolarHBondContact O-N 2.95Å; E118-T122 PolarHBondContact O-OG1 3.37Å
119	K	93.5	Very high	91.9	Very high	135 Å²	135	103.3 Å²	103.3	59%	0.587	53%	0.529	S	S	*	.	H	α-helix	trans	-66.7	-41.6	176.2	-175.2	-178.1	177.9	-176.1	0	112.8	E115 E116 L121 T122 Q123	E115-K119 WeakPolarHBondContact O-CB 3.4Å; E115-K119 PolarHBondContact O-N 2.94Å; E116-K119 PolarHBondContact O-N 3.47Å; K119-L121 VanDerWaalsContact C-N 3.31Å; K119-T122 PolarHBondContact O-N 3.18Å; K119-T122 PolarHBondContact O-OG1 3.42Å; K119-Q123 VanDerWaalsContact O-CG 3.27Å; K119-Q123 WeakPolarHBondContact O-CG 3.18Å; K119-Q123 PolarHBondContact O-N 3.48Å; K119-Q123 VanDerWaalsContact O-N 3.08Å
120	E	92.9	Very high	92.3	Very high	98 Å²	98	104.3 Å²	104.3	46%	0.458	53%	0.526	S	S	.	.	H	α-helix	trans	-64.3	-41	173.9	-75.7	-171.3	174.7	0	0	110.8	L112 E116 T122 Q123 V124	L112-E120 WeakPolarHBondContact CD1-OE2 3.39Å; E116-E120 WeakPolarHBondContact O-CG 3.41Å; E116-E120 PolarHBondContact O-N 2.93Å; E120-T122 PolarHBondContact O-N 3.01Å; E120-Q123 PolarHBondContact O-N 3.5Å; E120-V124 WeakPolarHBondContact O-CB 3.25Å; E120-V124 VanDerWaalsContact O-CG2 3.23Å; E120-V124 WeakPolarHBondContact O-CG2 3.27Å; E120-V124 PolarHBondContact O-N 2.84Å
121	L	95.2	Very high	92.7	Very high	92 Å²	92	104.2 Å²	104.2	48%	0.482	52%	0.516	S	S	.	.	H	α-helix	trans	-65.2	-38.5	178.7	-176.1	135	0	0	0	112.4	A117 E118 K119 K125	A117-L121 WeakPolarHBondContact O-CB 3.23Å; A117-L121 PolarHBondContact O-N 2.83Å; E118-L121 PolarHBondContact O-N 2.74Å; K119-L121 VanDerWaalsContact C-N 3.31Å; L121-K125 HydrophobicContact CD2-CD 3.9Å; L121-K125 VanDerWaalsContact CD2-CE 3.47Å; L121-K125 HydrophobicContact CG-CD 4.49Å; L121-K125 WeakPolarHBondContact O-CB 3.23Å; L121-K125 VanDerWaalsContact O-CG 3.25Å; L121-K125 WeakPolarHBondContact O-CG 3.41Å; L121-K125 PolarHBondContact O-N 3.49Å
122	T	95.2	Very high	93.2	Very high	70 Å²	70	105.6 Å²	105.6	43%	0.429	52%	0.516	S	S	.	.	H	α-helix	trans	-65.7	-46.3	173.1	54.2	0	0	0	0	111.4	E118 K119 E120 V124 K125 E126	E118-T122 WeakPolarHBondContact O-CG2 3.35Å; E118-T122 PolarHBondContact O-N 2.95Å; E118-T122 PolarHBondContact O-OG1 3.37Å; K119-T122 PolarHBondContact O-N 3.18Å; K119-T122 PolarHBondContact O-OG1 3.42Å; E120-T122 PolarHBondContact O-N 3.01Å; T122-V124 PolarHBondContact O-N 3.31Å; T122-K125 PolarHBondContact O-N 2.86Å; T122-E126 WeakPolarHBondContact O-CG 3.39Å; T122-E126 PolarHBondContact O-N 2.89Å
123	Q	95.6	Very high	93.9	Very high	85 Å²	85	105.4 Å²	105.4	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-59.9	-42.9	176.7	-72.1	176.7	8.5	0	0	112.8	K119 E120 E126 K127	K119-Q123 VanDerWaalsContact O-CG 3.27Å; K119-Q123 WeakPolarHBondContact O-CG 3.18Å; K119-Q123 PolarHBondContact O-N 3.48Å; K119-Q123 VanDerWaalsContact O-N 3.08Å; E120-Q123 PolarHBondContact O-N 3.5Å; Q123-E126 PolarHBondContact O-N 3.42Å; Q123-K127 WeakPolarHBondContact O-CG 3.28Å; Q123-K127 PolarHBondContact O-N 3.35Å
124	V	96.4	Very high	94.3	Very high	91 Å²	91	107.4 Å²	107.4	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-65.1	-41.4	177.1	170.4	0	0	0	0	110.5	E120 T122 E126 K127 L128	E120-V124 WeakPolarHBondContact O-CB 3.25Å; E120-V124 VanDerWaalsContact O-CG2 3.23Å; E120-V124 WeakPolarHBondContact O-CG2 3.27Å; E120-V124 PolarHBondContact O-N 2.84Å; T122-V124 PolarHBondContact O-N 3.31Å; V124-E126 PolarHBondContact O-N 3.08Å; V124-K127 PolarHBondContact O-N 2.9Å; V124-L128 VanDerWaalsContact O-CB 3.23Å; V124-L128 WeakPolarHBondContact O-CB 3.38Å; V124-L128 PolarHBondContact O-N 3.48Å
125	K	96.9	Very high	94.6	Very high	120 Å²	120	102.9 Å²	102.9	52%	0.522	51%	0.508	S	S	.	.	H	α-helix	trans	-64.4	-37.7	175.6	-77.8	176.6	177.8	-179.5	0	112.6	L121 T122 K129	L121-K125 HydrophobicContact CD2-CD 3.9Å; L121-K125 VanDerWaalsContact CD2-CE 3.47Å; L121-K125 HydrophobicContact CG-CD 4.49Å; L121-K125 WeakPolarHBondContact O-CB 3.23Å; L121-K125 VanDerWaalsContact O-CG 3.25Å; L121-K125 WeakPolarHBondContact O-CG 3.41Å; L121-K125 PolarHBondContact O-N 3.49Å; T122-K125 PolarHBondContact O-N 2.86Å; K125-K129 WeakPolarHBondContact O-CG 3.48Å; K125-K129 PolarHBondContact O-N 3.36Å
126	E	96.5	Very high	94.8	Very high	129 Å²	129	101.5 Å²	101.5	60%	0.603	50%	0.5	S	S	*	.	H	α-helix	trans	-66.1	-49.6	175.9	-74.5	173.6	175	0	0	111.5	T122 Q123 V124 L128 K129 E130	T122-E126 WeakPolarHBondContact O-CG 3.39Å; T122-E126 PolarHBondContact O-N 2.89Å; Q123-E126 PolarHBondContact O-N 3.42Å; V124-E126 PolarHBondContact O-N 3.08Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 2.97Å; E126-K129 WeakPolarHBondContact O-CB 3.32Å; E126-K129 PolarHBondContact O-N 2.86Å; E126-K129 VanDerWaalsContact O-N 3.15Å; E126-E130 PolarHBondContact O-N 3.45Å
127	K	96.6	Very high	95	Very high	123 Å²	123	99.2 Å²	99.2	54%	0.535	50%	0.497	S	S	.	.	H	α-helix	trans	-58.9	-40.6	175.3	-72.3	175.8	-179.4	177.2	0	112.1	Q123 V124 E130 I131	Q123-K127 WeakPolarHBondContact O-CG 3.28Å; Q123-K127 PolarHBondContact O-N 3.35Å; V124-K127 PolarHBondContact O-N 2.9Å; K127-E130 PolarHBondContact O-N 3.37Å; K127-I131 WeakPolarHBondContact O-CB 3.34Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.24Å; K127-I131 PolarHBondContact O-N 2.92Å
128	L	96.6	Very high	94.9	Very high	89 Å²	89	101.8 Å²	101.8	47%	0.466	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-45.1	177.2	-172.9	152.5	0	0	0	110.8	V124 E126 I131 E132	V124-L128 VanDerWaalsContact O-CB 3.23Å; V124-L128 WeakPolarHBondContact O-CB 3.38Å; V124-L128 PolarHBondContact O-N 3.48Å; E126-L128 VanDerWaalsContact C-N 3.28Å; E126-L128 PolarHBondContact O-N 2.97Å; L128-I131 PolarHBondContact O-N 2.9Å; L128-E132 VanDerWaalsContact CD2-CD 3.45Å; L128-E132 HydrophobicContact CD2-CG 4.01Å; L128-E132 VanDerWaalsContact CD2-OE1 3.24Å; L128-E132 WeakPolarHBondContact CD2-OE1 3.33Å; L128-E132 WeakPolarHBondContact O-CB 3.34Å; L128-E132 VanDerWaalsContact O-CG 3.28Å; L128-E132 WeakPolarHBondContact O-CG 3.44Å; L128-E132 PolarHBondContact O-N 3.15Å
129	K	96.6	Very high	94.7	Very high	139 Å²	139	104.5 Å²	104.5	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-61.2	-44.6	175	-75.3	175	-179.8	-179.8	0	112	K125 E126 E132 T133	K125-K129 WeakPolarHBondContact O-CG 3.48Å; K125-K129 PolarHBondContact O-N 3.36Å; E126-K129 WeakPolarHBondContact O-CB 3.32Å; E126-K129 PolarHBondContact O-N 2.86Å; E126-K129 VanDerWaalsContact O-N 3.15Å; K129-E132 PolarHBondContact O-N 2.78Å; K129-T133 VanDerWaalsContact O-CG2 3.3Å; K129-T133 WeakPolarHBondContact O-CG2 3.48Å; K129-T133 PolarHBondContact O-N 2.8Å; K129-T133 PolarHBondContact O-OG1 3.46Å
130	E	96.6	Very high	94.4	Very high	127 Å²	127	102.2 Å²	102.2	59%	0.593	52%	0.521	S	S	*	.	H	α-helix	trans	-57.5	-53.2	177.3	-176.2	-179.8	-172.1	0	0	110.8	E126 K127 E132 T133 E134	E126-E130 PolarHBondContact O-N 3.45Å; K127-E130 PolarHBondContact O-N 3.37Å; E130-E132 VanDerWaalsContact C-N 3.34Å; E130-E132 PolarHBondContact O-N 3.35Å; E130-T133 PolarHBondContact O-N 3.03Å; E130-T133 VanDerWaalsContact O-N 3.12Å; E130-T133 PolarHBondContact O-OG1 3.14Å; E130-E134 PolarHBondContact O-N 3.04Å
131	I	96	Very high	93.9	Very high	98 Å²	98	105.5 Å²	105.5	50%	0.503	53%	0.534	S	S	.	.	H	α-helix	trans	-61.1	-42.6	178.4	-67.3	166.4	0	0	0	110.9	K127 L128 T133 E134 V135	K127-I131 WeakPolarHBondContact O-CB 3.34Å; K127-I131 VanDerWaalsContact O-CG1 3.24Å; K127-I131 WeakPolarHBondContact O-CG1 3.24Å; K127-I131 PolarHBondContact O-N 2.92Å; L128-I131 PolarHBondContact O-N 2.9Å; I131-T133 VanDerWaalsContact C-N 3.32Å; I131-T133 PolarHBondContact O-N 3.31Å; I131-E134 PolarHBondContact O-N 3.5Å; I131-V135 HydrophobicContact CG2-CG2 4.22Å; I131-V135 WeakPolarHBondContact O-CB 3.26Å; I131-V135 VanDerWaalsContact O-CG2 3.22Å; I131-V135 WeakPolarHBondContact O-CG2 3.31Å; I131-V135 PolarHBondContact O-N 3.32Å
132	E	96.3	Very high	93.2	Very high	93 Å²	93	102.8 Å²	102.8	44%	0.435	53%	0.528	S	S	.	.	H	α-helix	trans	-62	-39.2	176.4	-79.3	-174.2	171.1	0	0	112.5	L128 K129 E130 K136	L128-E132 VanDerWaalsContact CD2-CD 3.45Å; L128-E132 HydrophobicContact CD2-CG 4.01Å; L128-E132 VanDerWaalsContact CD2-OE1 3.24Å; L128-E132 WeakPolarHBondContact CD2-OE1 3.33Å; L128-E132 WeakPolarHBondContact O-CB 3.34Å; L128-E132 VanDerWaalsContact O-CG 3.28Å; L128-E132 WeakPolarHBondContact O-CG 3.44Å; L128-E132 PolarHBondContact O-N 3.15Å; K129-E132 PolarHBondContact O-N 2.78Å; E130-E132 VanDerWaalsContact C-N 3.34Å; E130-E132 PolarHBondContact O-N 3.35Å; E132-K136 WeakPolarHBondContact O-CB 3.24Å; E132-K136 WeakPolarHBondContact O-CG 3.28Å; E132-K136 PolarHBondContact O-N 3.34Å
133	T	95.4	Very high	92.3	Very high	88 Å²	88	105.2 Å²	105.2	54%	0.54	55%	0.545	S	S	.	.	H	α-helix	trans	-67.9	-41.3	176.1	57.8	0	0	0	0	111.9	K129 E130 I131 K136 A137	K129-T133 VanDerWaalsContact O-CG2 3.3Å; K129-T133 WeakPolarHBondContact O-CG2 3.48Å; K129-T133 PolarHBondContact O-N 2.8Å; K129-T133 PolarHBondContact O-OG1 3.46Å; E130-T133 PolarHBondContact O-N 3.03Å; E130-T133 VanDerWaalsContact O-N 3.12Å; E130-T133 PolarHBondContact O-OG1 3.14Å; I131-T133 VanDerWaalsContact C-N 3.32Å; I131-T133 PolarHBondContact O-N 3.31Å; T133-K136 PolarHBondContact O-N 3.43Å; T133-A137 WeakPolarHBondContact O-CB 3.22Å; T133-A137 PolarHBondContact O-N 2.67Å
134	E	94.4	Very high	91.3	Very high	114 Å²	114	105 Å²	105	53%	0.533	57%	0.566	S	S	.	*	H	α-helix	trans	-63.8	-45.7	176.1	-170.4	179.7	-174.3	0	0	111	E130 I131 K136 A137 L138	E130-E134 PolarHBondContact O-N 3.04Å; I131-E134 PolarHBondContact O-N 3.5Å; E134-K136 VanDerWaalsContact C-N 3.33Å; E134-K136 PolarHBondContact O-N 2.91Å; E134-A137 PolarHBondContact O-N 2.85Å; E134-L138 HydrophobicContact CG-CD1 4.1Å; E134-L138 HydrophobicContact CG-CG 4.44Å; E134-L138 WeakPolarHBondContact O-CB 3.36Å; E134-L138 VanDerWaalsContact O-CG 3.29Å; E134-L138 WeakPolarHBondContact O-CG 3.37Å; E134-L138 PolarHBondContact O-N 2.95Å
135	V	93.3	Very high	90.4	Very high	62 Å²	62	106 Å²	106	38%	0.376	57%	0.567	S	S	.	*	H	α-helix	trans	-60.8	-41.7	175.7	169.6	0	0	0	0	111.2	I131 L138 K139	I131-V135 HydrophobicContact CG2-CG2 4.22Å; I131-V135 WeakPolarHBondContact O-CB 3.26Å; I131-V135 VanDerWaalsContact O-CG2 3.22Å; I131-V135 WeakPolarHBondContact O-CG2 3.31Å; I131-V135 PolarHBondContact O-N 3.32Å; V135-L138 PolarHBondContact O-N 2.92Å; V135-K139 HydrophobicContact CG1-CD 4.03Å; V135-K139 HydrophobicContact CG1-CG 4.45Å; V135-K139 WeakPolarHBondContact O-CB 3.5Å; V135-K139 VanDerWaalsContact O-CG 3.28Å; V135-K139 WeakPolarHBondContact O-CG 3.22Å; V135-K139 PolarHBondContact O-N 3.38Å
136	K	93.7	Very high	89.7	Confident	133 Å²	133	103.9 Å²	103.9	58%	0.578	56%	0.564	S	S	*	*	H	α-helix	trans	-63.4	-44.7	175.3	-76.9	168.5	-175.4	167.1	0	111.4	E132 T133 E134 K139 A140	E132-K136 WeakPolarHBondContact O-CB 3.24Å; E132-K136 WeakPolarHBondContact O-CG 3.28Å; E132-K136 PolarHBondContact O-N 3.34Å; T133-K136 PolarHBondContact O-N 3.43Å; E134-K136 VanDerWaalsContact C-N 3.33Å; E134-K136 PolarHBondContact O-N 2.91Å; K136-K139 PolarHBondContact O-N 3.27Å; K136-A140 WeakPolarHBondContact O-CB 3.39Å; K136-A140 PolarHBondContact O-N 2.9Å
137	A	91.9	Very high	89.1	Confident	49 Å²	49	106.8 Å²	106.8	41%	0.405	58%	0.575	S	S	.	*	H	α-helix	trans	-63.5	-42.4	178	0	0	0	0	0	112.1	T133 E134 A140 K141	T133-A137 WeakPolarHBondContact O-CB 3.22Å; T133-A137 PolarHBondContact O-N 2.67Å; E134-A137 PolarHBondContact O-N 2.85Å; A137-A140 PolarHBondContact O-N 2.93Å; A137-K141 WeakPolarHBondContact O-CG 3.3Å; A137-K141 PolarHBondContact O-N 3.12Å
138	L	90	Very high	88.6	Confident	96 Å²	96	104.1 Å²	104.1	50%	0.503	58%	0.576	S	S	.	*	H	α-helix	trans	-66.1	-40.9	176.1	-70.3	173.8	0	0	0	112	E134 V135 K141	E134-L138 HydrophobicContact CG-CD1 4.1Å; E134-L138 HydrophobicContact CG-CG 4.44Å; E134-L138 WeakPolarHBondContact O-CB 3.36Å; E134-L138 VanDerWaalsContact O-CG 3.29Å; E134-L138 WeakPolarHBondContact O-CG 3.37Å; E134-L138 PolarHBondContact O-N 2.95Å; V135-L138 PolarHBondContact O-N 2.92Å; L138-K141 PolarHBondContact O-N 3.31Å
139	K	88.4	Confident	88.1	Confident	163 Å²	163	103.7 Å²	103.7	71%	0.709	57%	0.574	S	S	*	*	H	α-helix	trans	-64.8	-39.3	174	-76	177.7	178.7	178.9	0	112.2	V135 K136 G142	V135-K139 HydrophobicContact CG1-CD 4.03Å; V135-K139 HydrophobicContact CG1-CG 4.45Å; V135-K139 WeakPolarHBondContact O-CB 3.5Å; V135-K139 VanDerWaalsContact O-CG 3.28Å; V135-K139 WeakPolarHBondContact O-CG 3.22Å; V135-K139 PolarHBondContact O-N 3.38Å; K136-K139 PolarHBondContact O-N 3.27Å; K139-G142 PolarHBondContact O-N 3.41Å; K139-G142 VanDerWaalsContact O-N 3.13Å
140	A	87.7	Confident	87.5	Confident	88 Å²	88	102.5 Å²	102.5	73%	0.727	57%	0.574	S	S	*	*	H	α-helix	trans	-67.5	-33.7	178.4	0	0	0	0	0	113.1	K136 A137 G142	K136-A140 WeakPolarHBondContact O-CB 3.39Å; K136-A140 PolarHBondContact O-N 2.9Å; A137-A140 PolarHBondContact O-N 2.93Å; A140-G142 PolarHBondContact O-N 2.82Å; A140-G142 VanDerWaalsContact O-N 3.16Å
141	K	83.2	Confident	87.2	Confident	166 Å²	166	102.8 Å²	102.8	72%	0.722	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	-19.6	172.1	-73.7	172.7	-175.8	179.2	0	112.7	A137 L138	A137-K141 WeakPolarHBondContact O-CG 3.3Å; A137-K141 PolarHBondContact O-N 3.12Å; L138-K141 PolarHBondContact O-N 3.31Å
142	G	78.9	Confident	87	Confident	35 Å²	35	100.4 Å²	100.4	36%	0.361	57%	0.565	S	S	.	*			trans	67.6	-175.5	-178.1	0	0	0	0	0	112.6	K139 A140 G144	K139-G142 PolarHBondContact O-N 3.41Å; K139-G142 VanDerWaalsContact O-N 3.13Å; A140-G142 PolarHBondContact O-N 2.82Å; A140-G142 VanDerWaalsContact O-N 3.16Å; G142-G144 PolarHBondContact O-N 3.38Å; G142-G144 VanDerWaalsContact O-N 3.08Å
143	P	77.2	Confident	86.7	Confident	121 Å²	121	100.4 Å²	100.4	79%	0.786	57%	0.571	S	S	*	*			trans	-61.8	113.1	173.7	-15	28.5	0	0	0	109.2	I145	P143-I145 PolarHBondContact O-N 3.17Å
144	G	74.4	Confident	86.3	Confident	82 Å²	82	99.5 Å²	99.5	85%	0.845	57%	0.569	S	S	*	*	S	Bend	trans	-64.8	-7.5	179.4	0	0	0	0	0	114.5	G142	G142-G144 PolarHBondContact O-N 3.38Å; G142-G144 VanDerWaalsContact O-N 3.08Å
145	I	78.5	Confident	86.1	Confident	111 Å²	111	98 Å²	98	57%	0.569	56%	0.562	S	S	*	*	S	Bend	trans	-122.4	121.8	177	-60.6	170.5	0	0	0	107.1	P143 D149 L150	P143-I145 PolarHBondContact O-N 3.17Å; I145-D149 HydrophobicContact CG2-CB 4.01Å; I145-L150 HydrophobicContact CG2-CB 4.15Å
146	T	81.7	Confident	86	Confident	75 Å²	75	99 Å²	99	46%	0.46	57%	0.565	S	S	.	*			trans	-70.5	152	175.3	73.1	0	0	0	0	109.9	A148 D149 L150	T146-A148 PolarHBondContact O-N 3.06Å; T146-A148 VanDerWaalsContact O-N 3.14Å; T146-D149 WeakPolarHBondContact CB-OD2 3.39Å; T146-D149 PolarHBondContact N-OD2 3.37Å; T146-D149 PolarHBondContact O-N 3.34Å; T146-D149 VanDerWaalsContact O-N 3.09Å; T146-D149 PolarHBondContact OG1-N 3.07Å; T146-D149 VanDerWaalsContact OG1-N 3.09Å; T146-D149 PolarHBondContact OG1-OD2 3.45Å; T146-L150 PolarHBondContact O-N 2.84Å
147	K	84	Confident	85.7	Confident	191 Å²	191	98.2 Å²	98.2	83%	0.83	56%	0.563	S	S	*	*	H	α-helix	trans	-57.8	-28.7	174.6	-170.3	176.9	-179.7	180	0	111.9	K151	K147-K151 VanDerWaalsContact O-CB 3.32Å; K147-K151 WeakPolarHBondContact O-CB 3.46Å; K147-K151 PolarHBondContact O-N 3.21Å; K147-K151 VanDerWaalsContact O-N 3.09Å
148	A	85.1	Confident	85.5	Confident	67 Å²	67	99.1 Å²	99.1	55%	0.554	56%	0.564	S	S	*	*	H	α-helix	trans	-69.5	-44.4	175.6	0	0	0	0	0	112	T146 K151 S152	T146-A148 PolarHBondContact O-N 3.06Å; T146-A148 VanDerWaalsContact O-N 3.14Å; A148-K151 PolarHBondContact O-N 3.41Å; A148-S152 WeakPolarHBondContact O-CB 3.29Å; A148-S152 PolarHBondContact O-N 3.05Å
149	D	86	Confident	85.5	Confident	80 Å²	80	100.2 Å²	100.2	43%	0.428	56%	0.564	S	S	.	*	H	α-helix	trans	-63.9	-43.4	176.3	-61.1	-39.5	0	0	0	111.5	I145 T146 K151 S152 V153	I145-D149 HydrophobicContact CG2-CB 4.01Å; T146-D149 WeakPolarHBondContact CB-OD2 3.39Å; T146-D149 PolarHBondContact N-OD2 3.37Å; T146-D149 PolarHBondContact O-N 3.34Å; T146-D149 VanDerWaalsContact O-N 3.09Å; T146-D149 PolarHBondContact OG1-N 3.07Å; T146-D149 VanDerWaalsContact OG1-N 3.09Å; T146-D149 PolarHBondContact OG1-OD2 3.45Å; D149-K151 VanDerWaalsContact C-N 3.29Å; D149-K151 PolarHBondContact O-N 3.38Å; D149-S152 PolarHBondContact O-N 3.13Å; D149-S152 PolarHBondContact O-OG 3.24Å; D149-V153 WeakPolarHBondContact O-CB 3.42Å; D149-V153 VanDerWaalsContact O-CG2 3.26Å; D149-V153 WeakPolarHBondContact O-CG2 3.29Å; D149-V153 PolarHBondContact O-N 3.37Å
150	L	85.5	Confident	85.4	Confident	114 Å²	114	98.8 Å²	98.8	60%	0.597	56%	0.562	S	S	*	*	H	α-helix	trans	-60.4	-42.5	176.2	-173.9	68.3	0	0	0	111.2	I145 T146 S154	I145-L150 HydrophobicContact CG2-CB 4.15Å; T146-L150 PolarHBondContact O-N 2.84Å; L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.34Å; L150-S154 PolarHBondContact O-N 3.03Å
151	K	90.7	Very high	85.2	Confident	132 Å²	132	97.5 Å²	97.5	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-66.2	-44.7	177.4	-175.6	175.4	173.5	-179.4	0	111.4	K147 A148 D149 V153 S154 E155	K147-K151 VanDerWaalsContact O-CB 3.32Å; K147-K151 WeakPolarHBondContact O-CB 3.46Å; K147-K151 PolarHBondContact O-N 3.21Å; K147-K151 VanDerWaalsContact O-N 3.09Å; A148-K151 PolarHBondContact O-N 3.41Å; D149-K151 VanDerWaalsContact C-N 3.29Å; D149-K151 PolarHBondContact O-N 3.38Å; K151-V153 PolarHBondContact O-N 2.88Å; K151-S154 PolarHBondContact O-N 2.92Å; K151-E155 WeakPolarHBondContact CE-OE1 3.13Å; K151-E155 HydrophobicContact CG-CG 4.37Å; K151-E155 WeakPolarHBondContact CG-OE1 3.23Å; K151-E155 IonicContact NZ-OE1 2.56Å; K151-E155 WeakPolarHBondContact O-CB 3.32Å; K151-E155 VanDerWaalsContact O-CG 3.3Å; K151-E155 WeakPolarHBondContact O-CG 3.34Å; K151-E155 PolarHBondContact O-N 3.29Å
152	S	90.2	Very high	85.3	Confident	48 Å²	48	93.1 Å²	93.1	34%	0.336	53%	0.527	S	S	.	.	H	α-helix	trans	-64.8	-41.3	179.8	75.2	0	0	0	0	111.8	A148 D149 E155 N156	A148-S152 WeakPolarHBondContact O-CB 3.29Å; A148-S152 PolarHBondContact O-N 3.05Å; D149-S152 PolarHBondContact O-N 3.13Å; D149-S152 PolarHBondContact O-OG 3.24Å; S152-E155 PolarHBondContact O-N 3.11Å; S152-N156 VanDerWaalsContact O-CB 3.23Å; S152-N156 WeakPolarHBondContact O-CB 3.39Å; S152-N156 PolarHBondContact O-N 3.35Å; S152-N156 PolarHBondContact O-ND2 2.9Å
153	V	89.6	Confident	85.7	Confident	93 Å²	93	95 Å²	95	56%	0.564	53%	0.526	S	S	*	.	H	α-helix	trans	-64.1	-43.4	174.5	172.3	0	0	0	0	110.7	D149 K151 N156 H157	D149-V153 WeakPolarHBondContact O-CB 3.42Å; D149-V153 VanDerWaalsContact O-CG2 3.26Å; D149-V153 WeakPolarHBondContact O-CG2 3.29Å; D149-V153 PolarHBondContact O-N 3.37Å; K151-V153 PolarHBondContact O-N 2.88Å; V153-N156 PolarHBondContact O-N 2.98Å; V153-H157 VanDerWaalsContact O-CB 3.25Å; V153-H157 WeakPolarHBondContact O-CB 3.4Å; V153-H157 PolarHBondContact O-N 2.94Å
154	S	87.6	Confident	86.1	Confident	70 Å²	70	93.6 Å²	93.6	49%	0.49	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-43.3	177.4	-175.8	0	0	0	0	112.6	L150 K151 H157 T158	L150-S154 VanDerWaalsContact O-CB 3.27Å; L150-S154 WeakPolarHBondContact O-CB 3.34Å; L150-S154 PolarHBondContact O-N 3.03Å; K151-S154 PolarHBondContact O-N 2.92Å; S154-H157 PolarHBondContact O-N 3.4Å; S154-T158 WeakPolarHBondContact O-CB 3.36Å; S154-T158 PolarHBondContact O-N 3.08Å; S154-T158 PolarHBondContact O-OG1 3.28Å
155	E	91.5	Very high	86.6	Confident	83 Å²	83	94.9 Å²	94.9	39%	0.388	49%	0.488	S	S	.	.	H	α-helix	trans	-65.8	-44.6	176.3	-75.1	177.1	-175.8	0	0	111.4	K151 S152 T158 K159	K151-E155 WeakPolarHBondContact CE-OE1 3.13Å; K151-E155 HydrophobicContact CG-CG 4.37Å; K151-E155 WeakPolarHBondContact CG-OE1 3.23Å; K151-E155 IonicContact NZ-OE1 2.56Å; K151-E155 WeakPolarHBondContact O-CB 3.32Å; K151-E155 VanDerWaalsContact O-CG 3.3Å; K151-E155 WeakPolarHBondContact O-CG 3.34Å; K151-E155 PolarHBondContact O-N 3.29Å; S152-E155 PolarHBondContact O-N 3.11Å; E155-T158 PolarHBondContact O-N 3.16Å; E155-K159 WeakPolarHBondContact O-CB 3.43Å; E155-K159 VanDerWaalsContact O-CG 3.27Å; E155-K159 WeakPolarHBondContact O-CG 3.19Å; E155-K159 PolarHBondContact O-N 3.39Å
156	N	89.9	Confident	87	Confident	81 Å²	81	95 Å²	95	43%	0.433	48%	0.484	S	S	.	.	H	α-helix	trans	-62.8	-43.1	175.8	-76.2	-16.4	0	0	0	111.3	S152 V153 T158 K159 M160	S152-N156 VanDerWaalsContact O-CB 3.23Å; S152-N156 WeakPolarHBondContact O-CB 3.39Å; S152-N156 PolarHBondContact O-N 3.35Å; S152-N156 PolarHBondContact O-ND2 2.9Å; V153-N156 PolarHBondContact O-N 2.98Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.13Å; N156-K159 PolarHBondContact O-N 3.26Å; N156-M160 WeakPolarHBondContact O-CB 3.46Å; N156-M160 VanDerWaalsContact O-CG 3.23Å; N156-M160 WeakPolarHBondContact O-CG 3.35Å; N156-M160 PolarHBondContact O-N 3.39Å
157	H	87.1	Confident	87.2	Confident	117 Å²	117	100 Å²	100	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-58	-45.1	174.1	-176.2	65.6	0	0	0	111.5	V153 S154 M160 I161	V153-H157 VanDerWaalsContact O-CB 3.25Å; V153-H157 WeakPolarHBondContact O-CB 3.4Å; V153-H157 PolarHBondContact O-N 2.94Å; S154-H157 PolarHBondContact O-N 3.4Å; H157-M160 PolarHBondContact O-N 3.03Å; H157-I161 VanDerWaalsContact NE2-CD1 3.3Å; H157-I161 WeakPolarHBondContact NE2-CD1 2.85Å; H157-I161 WeakPolarHBondContact O-CG1 3.41Å; H157-I161 PolarHBondContact O-N 3.34Å
158	T	88.1	Confident	87.2	Confident	69 Å²	69	92.9 Å²	92.9	42%	0.423	46%	0.463	S	S	.	.	H	α-helix	trans	-64.3	-43.8	177.8	-56.6	0	0	0	0	111.8	S154 E155 N156 I161 N162	S154-T158 WeakPolarHBondContact O-CB 3.36Å; S154-T158 PolarHBondContact O-N 3.08Å; S154-T158 PolarHBondContact O-OG1 3.28Å; E155-T158 PolarHBondContact O-N 3.16Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.13Å; T158-I161 PolarHBondContact O-N 3.04Å; T158-N162 VanDerWaalsContact O-CG 3.25Å; T158-N162 PolarHBondContact O-N 2.83Å; T158-N162 PolarHBondContact O-ND2 3.27Å
159	K	89.8	Confident	87.2	Confident	118 Å²	118	98 Å²	98	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-59.8	-48.2	175	-73.4	170.6	-174.5	171.6	0	111.3	E155 N156 I161 N162 E163	E155-K159 WeakPolarHBondContact O-CB 3.43Å; E155-K159 VanDerWaalsContact O-CG 3.27Å; E155-K159 WeakPolarHBondContact O-CG 3.19Å; E155-K159 PolarHBondContact O-N 3.39Å; N156-K159 PolarHBondContact O-N 3.26Å; K159-I161 PolarHBondContact O-N 2.83Å; K159-N162 PolarHBondContact O-N 3.43Å; K159-N162 VanDerWaalsContact O-N 3.11Å; K159-E163 PolarHBondContact O-N 2.98Å
160	M	86.3	Confident	87.1	Confident	133 Å²	133	99.3 Å²	99.3	66%	0.655	47%	0.474	S	S	*	.	H	α-helix	trans	-63.9	-39.3	179.7	-67.7	-59.9	169.6	0	0	112.1	N156 H157 N162 W164	N156-M160 WeakPolarHBondContact O-CB 3.46Å; N156-M160 VanDerWaalsContact O-CG 3.23Å; N156-M160 WeakPolarHBondContact O-CG 3.35Å; N156-M160 PolarHBondContact O-N 3.39Å; H157-M160 PolarHBondContact O-N 3.03Å; M160-N162 VanDerWaalsContact C-N 3.33Å; M160-N162 PolarHBondContact O-N 2.99Å; M160-W164 VanDerWaalsContact O-CB 3.27Å; M160-W164 WeakPolarHBondContact O-CB 3.44Å; M160-W164 PolarHBondContact O-N 3.5Å
161	I	84.3	Confident	87	Confident	61 Å²	61	95 Å²	95	31%	0.313	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-41.8	172.4	-74.9	179.2	0	0	0	111.2	H157 T158 K159 W164 K165	H157-I161 VanDerWaalsContact NE2-CD1 3.3Å; H157-I161 WeakPolarHBondContact NE2-CD1 2.85Å; H157-I161 WeakPolarHBondContact O-CG1 3.41Å; H157-I161 PolarHBondContact O-N 3.34Å; T158-I161 PolarHBondContact O-N 3.04Å; K159-I161 PolarHBondContact O-N 2.83Å; I161-W164 PolarHBondContact O-N 3.46Å; I161-K165 HydrophobicContact CG2-CD 4.08Å; I161-K165 HydrophobicContact CG2-CG 4.45Å; I161-K165 WeakPolarHBondContact O-CB 3.25Å; I161-K165 VanDerWaalsContact O-CG 3.29Å; I161-K165 WeakPolarHBondContact O-CG 3.27Å; I161-K165 PolarHBondContact O-N 3.09Å
162	N	85.3	Confident	86.7	Confident	75 Å²	75	90.4 Å²	90.4	40%	0.401	44%	0.436	S	S	.	.	H	α-helix	trans	-67.4	-44.2	-179.9	-72.2	-21.2	0	0	0	111.9	T158 K159 M160 K165 K166	T158-N162 VanDerWaalsContact O-CG 3.25Å; T158-N162 PolarHBondContact O-N 2.83Å; T158-N162 PolarHBondContact O-ND2 3.27Å; K159-N162 PolarHBondContact O-N 3.43Å; K159-N162 VanDerWaalsContact O-N 3.11Å; M160-N162 VanDerWaalsContact C-N 3.33Å; M160-N162 PolarHBondContact O-N 2.99Å; N162-K165 PolarHBondContact O-N 3.38Å; N162-K166 WeakPolarHBondContact O-CG 2.87Å; N162-K166 PolarHBondContact O-N 2.97Å
163	E	87.2	Confident	86.5	Confident	75 Å²	75	92.8 Å²	92.8	35%	0.35	45%	0.445	S	S	.	.	H	α-helix	trans	-62.9	-42.5	174.3	-71.5	-54.2	131.4	0	0	111.8	K159 K165 K166 R167	K159-E163 PolarHBondContact O-N 2.98Å; E163-K165 PolarHBondContact O-N 2.91Å; E163-K166 PolarHBondContact O-N 3.3Å; E163-K166 IonicContact OE1-NZ 3.85Å; E163-K166 PolarHBondContact OE1-NZ 3.14Å; E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 3.04Å
164	W	85.8	Confident	86.4	Confident	90 Å²	90	93.3 Å²	93.3	34%	0.341	44%	0.444	S	S	.	.	H	α-helix	trans	-60.1	-44.1	173.2	174	80.8	0	0	0	112	M160 I161 K166 R167 K168 W200	M160-W164 VanDerWaalsContact O-CB 3.27Å; M160-W164 WeakPolarHBondContact O-CB 3.44Å; M160-W164 PolarHBondContact O-N 3.5Å; I161-W164 PolarHBondContact O-N 3.46Å; W164-K166 VanDerWaalsContact C-N 3.34Å; W164-K166 PolarHBondContact O-N 3.27Å; W164-R167 PolarHBondContact O-N 3.43Å; W164-K168 HydrophobicContact CH2-CD 3.79Å; W164-K168 HydrophobicContact CZ2-CD 3.74Å; W164-K168 HydrophobicContact CZ3-CD 4.42Å; W164-K168 WeakPolarHBondContact O-CB 3.3Å; W164-K168 PolarHBondContact O-N 2.64Å; W164-W200 AromaticContact CH2-CD2 3.98Å; W164-W200 HydrophobicContact CH2-CD2 3.98Å; W164-W200 AromaticContact CH2-CE3 3.36Å; W164-W200 HydrophobicContact CH2-CE3 3.36Å; W164-W200 AromaticContact CH2-CH2 3.91Å; W164-W200 HydrophobicContact CH2-CH2 3.91Å; W164-W200 HydrophobicContact CH2-CZ2 4.49Å; W164-W200 AromaticContact CH2-CZ3 3.26Å; W164-W200 HydrophobicContact CH2-CZ3 3.26Å; W164-W200 AromaticContact CZ2-CD2 3.77Å; W164-W200 HydrophobicContact CZ2-CD2 3.77Å; W164-W200 AromaticContact CZ2-CE2 3.89Å; W164-W200 AromaticContact CZ2-CE3 3.62Å; W164-W200 HydrophobicContact CZ2-CE3 3.62Å; W164-W200 HydrophobicContact CZ2-CG 4.49Å; W164-W200 AromaticContact CZ2-CH2 3.74Å; W164-W200 HydrophobicContact CZ2-CH2 3.74Å; W164-W200 AromaticContact CZ2-CZ2 3.93Å; W164-W200 HydrophobicContact CZ2-CZ2 3.93Å; W164-W200 AromaticContact CZ2-CZ3 3.54Å; W164-W200 HydrophobicContact CZ2-CZ3 3.54Å; W164-W200 HydrophobicContact CZ3-CZ3 4.12Å
165	K	83.9	Confident	86.3	Confident	110 Å²	110	91 Å²	91	48%	0.478	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-39.6	175.3	-77	173.3	-178.9	174.4	0	112.3	I161 N162 E163 R169	I161-K165 HydrophobicContact CG2-CD 4.08Å; I161-K165 HydrophobicContact CG2-CG 4.45Å; I161-K165 WeakPolarHBondContact O-CB 3.25Å; I161-K165 VanDerWaalsContact O-CG 3.29Å; I161-K165 WeakPolarHBondContact O-CG 3.27Å; I161-K165 PolarHBondContact O-N 3.09Å; N162-K165 PolarHBondContact O-N 3.38Å; E163-K165 PolarHBondContact O-N 2.91Å; K165-R169 WeakPolarHBondContact O-CB 3.38Å; K165-R169 PolarHBondContact O-N 3.09Å
166	K	87.2	Confident	86	Confident	114 Å²	114	90.1 Å²	90.1	50%	0.496	42%	0.424	S	S	.	.	H	α-helix	trans	-64.5	-52.7	175.8	-71.4	174.4	-172.4	171	0	111.1	N162 E163 W164 K168 R169 I170	N162-K166 WeakPolarHBondContact O-CG 2.87Å; N162-K166 PolarHBondContact O-N 2.97Å; E163-K166 PolarHBondContact O-N 3.3Å; E163-K166 IonicContact OE1-NZ 3.85Å; E163-K166 PolarHBondContact OE1-NZ 3.14Å; W164-K166 VanDerWaalsContact C-N 3.34Å; W164-K166 PolarHBondContact O-N 3.27Å; K166-K168 VanDerWaalsContact C-N 3.31Å; K166-K168 PolarHBondContact O-N 3.09Å; K166-R169 WeakPolarHBondContact O-CB 3.41Å; K166-R169 PolarHBondContact O-N 3.02Å; K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 3.17Å
167	R	86.5	Confident	86	Confident	179 Å²	179	89 Å²	89	68%	0.675	43%	0.426	S	S	*	.	H	α-helix	trans	-58.8	-43	178.2	-68.5	175.7	-172.2	-160.3	1	111.6	E163 W164 R169 I170 A171	E163-R167 WeakPolarHBondContact O-CG 3.3Å; E163-R167 PolarHBondContact O-N 3.04Å; W164-R167 PolarHBondContact O-N 3.43Å; R167-R169 PolarHBondContact O-N 2.82Å; R167-I170 PolarHBondContact O-N 3.09Å; R167-A171 WeakPolarHBondContact O-CB 3.26Å; R167-A171 PolarHBondContact O-N 3.32Å
168	K	83.9	Confident	86.1	Confident	42 Å²	42	86.5 Å²	86.5	18%	0.183	42%	0.419	C	S	.	.	H	α-helix	trans	-58.6	-44.7	172.8	171.9	164.3	-175.8	-179.5	0	112.3	W164 K166 M172 F198 W200	W164-K168 HydrophobicContact CH2-CD 3.79Å; W164-K168 HydrophobicContact CZ2-CD 3.74Å; W164-K168 HydrophobicContact CZ3-CD 4.42Å; W164-K168 WeakPolarHBondContact O-CB 3.3Å; W164-K168 PolarHBondContact O-N 2.64Å; K166-K168 VanDerWaalsContact C-N 3.31Å; K166-K168 PolarHBondContact O-N 3.09Å; K168-M172 HydrophobicContact CG-CG 4.23Å; K168-M172 VanDerWaalsContact O-CB 3.25Å; K168-M172 WeakPolarHBondContact O-CB 3.32Å; K168-M172 WeakPolarHBondContact O-CG 3.48Å; K168-M172 PolarHBondContact O-N 2.86Å; K168-F198 HydrophobicContact CB-CD1 4.15Å; K168-F198 HydrophobicContact CB-CE1 4.12Å; K168-F198 HydrophobicContact CD-CD1 4.45Å; K168-F198 HydrophobicContact CG-CD1 3.93Å; K168-F198 HydrophobicContact CG-CE1 4.41Å; K168-W200 VanDerWaalsContact NZ-CB 3.26Å
169	R	84.6	Confident	86.1	Confident	175 Å²	175	84.3 Å²	84.3	66%	0.66	41%	0.408	S	S	*	.	H	α-helix	trans	-61.5	-45.6	177.1	-168.5	-174.8	-53.1	-139.5	1.2	111.7	K165 K166 R167 M172 N173	K165-R169 WeakPolarHBondContact O-CB 3.38Å; K165-R169 PolarHBondContact O-N 3.09Å; K166-R169 WeakPolarHBondContact O-CB 3.41Å; K166-R169 PolarHBondContact O-N 3.02Å; R167-R169 PolarHBondContact O-N 2.82Å; R169-M172 PolarHBondContact O-N 3.35Å; R169-N173 PolarHBondContact O-N 3.47Å; R169-N173 PolarHBondContact O-OD1 2.87Å
170	I	84.8	Confident	86	Confident	106 Å²	106	87 Å²	87	54%	0.544	42%	0.422	S	S	.	.	H	α-helix	trans	-63.1	-49.9	179.4	-63.8	164.3	0	0	0	110.6	K166 R167 M172 N173 I174	K166-I170 WeakPolarHBondContact O-CG1 3.45Å; K166-I170 PolarHBondContact O-N 3.17Å; R167-I170 PolarHBondContact O-N 3.09Å; I170-M172 VanDerWaalsContact C-N 3.3Å; I170-M172 PolarHBondContact O-N 2.88Å; I170-N173 PolarHBondContact O-N 2.88Å; I170-I174 HydrophobicContact CG2-CD1 4.18Å; I170-I174 WeakPolarHBondContact O-CG1 3.4Å; I170-I174 PolarHBondContact O-N 3.21Å
171	A	83.3	Confident	86.1	Confident	23 Å²	23	85.5 Å²	85.5	19%	0.19	43%	0.425	C	S	.	.	H	α-helix	trans	-58.3	-43.5	177.2	0	0	0	0	0	111.5	R167 N173 I174 V175 F198	R167-A171 WeakPolarHBondContact O-CB 3.26Å; R167-A171 PolarHBondContact O-N 3.32Å; A171-N173 PolarHBondContact O-N 3.47Å; A171-I174 PolarHBondContact O-N 3.16Å; A171-V175 VanDerWaalsContact O-CG2 3.32Å; A171-V175 WeakPolarHBondContact O-CG2 3.29Å; A171-V175 PolarHBondContact O-N 3.35Å; A171-F198 HydrophobicContact CB-CD1 4.28Å; A171-F198 HydrophobicContact CB-CE1 3.69Å; A171-F198 HydrophobicContact CB-CE2 4.19Å; A171-F198 HydrophobicContact CB-CZ 3.61Å
172	M	83.4	Confident	86.3	Confident	36 Å²	36	85.8 Å²	85.8	18%	0.177	42%	0.423	C	S	.	.	H	α-helix	trans	-64.6	-39.2	177.2	-73.3	-60.9	-47.7	0	0	112.6	K168 R169 I170 I174 V175 D176 M190 F198	K168-M172 HydrophobicContact CG-CG 4.23Å; K168-M172 VanDerWaalsContact O-CB 3.25Å; K168-M172 WeakPolarHBondContact O-CB 3.32Å; K168-M172 WeakPolarHBondContact O-CG 3.48Å; K168-M172 PolarHBondContact O-N 2.86Å; R169-M172 PolarHBondContact O-N 3.35Å; I170-M172 VanDerWaalsContact C-N 3.3Å; I170-M172 PolarHBondContact O-N 2.88Å; M172-I174 VanDerWaalsContact C-N 3.33Å; M172-I174 PolarHBondContact O-N 3.46Å; M172-V175 PolarHBondContact O-N 3.27Å; M172-D176 WeakPolarHBondContact O-CB 3.44Å; M172-D176 PolarHBondContact O-N 2.99Å; M172-M190 HydrophobicContact CE-CE 3.51Å; M172-M190 HydrophobicContact SD-CE 3.52Å; M172-M190 VanDerWaalsContact SD-CE 3.52Å; M172-F198 HydrophobicContact SD-CB 3.9Å
173	N	87.6	Confident	86.3	Confident	99 Å²	99	88.1 Å²	88.1	53%	0.529	44%	0.442	S	S	.	.	H	α-helix	trans	-62.8	-39.2	175.2	-71.2	-1.9	0	0	0	111.9	R169 I170 A171 D176 A177	R169-N173 PolarHBondContact O-N 3.47Å; R169-N173 PolarHBondContact O-OD1 2.87Å; I170-N173 PolarHBondContact O-N 2.88Å; A171-N173 PolarHBondContact O-N 3.47Å; N173-D176 PolarHBondContact O-N 3.11Å; N173-A177 PolarHBondContact O-N 2.95Å
174	I	86.5	Confident	86.3	Confident	104 Å²	104	87.6 Å²	87.6	53%	0.533	45%	0.447	S	S	.	.	H	α-helix	trans	-64.5	-46.6	174.8	-64.4	165.6	0	0	0	110	I170 A171 M172 D176 A177 V178	I170-I174 HydrophobicContact CG2-CD1 4.18Å; I170-I174 WeakPolarHBondContact O-CG1 3.4Å; I170-I174 PolarHBondContact O-N 3.21Å; A171-I174 PolarHBondContact O-N 3.16Å; M172-I174 VanDerWaalsContact C-N 3.33Å; M172-I174 PolarHBondContact O-N 3.46Å; I174-D176 VanDerWaalsContact C-N 3.29Å; I174-D176 PolarHBondContact O-N 3.29Å; I174-A177 PolarHBondContact O-N 3.45Å; I174-V178 HydrophobicContact CG2-CG2 4.48Å; I174-V178 WeakPolarHBondContact O-CG2 3.19Å; I174-V178 PolarHBondContact O-N 3.39Å
175	V	85.4	Confident	86.2	Confident	21 Å²	21	86.8 Å²	86.8	13%	0.127	46%	0.455	C	S	.	.	H	α-helix	trans	-62.2	-38.3	177.8	176.1	0	0	0	0	111.3	A171 M172 A179 K186 L189 M190	A171-V175 VanDerWaalsContact O-CG2 3.32Å; A171-V175 WeakPolarHBondContact O-CG2 3.29Å; A171-V175 PolarHBondContact O-N 3.35Å; M172-V175 PolarHBondContact O-N 3.27Å; V175-A179 WeakPolarHBondContact O-CB 3.43Å; V175-A179 PolarHBondContact O-N 2.86Å; V175-K186 HydrophobicContact CG1-CG 4.1Å; V175-L189 HydrophobicContact CG1-CD2 4.12Å; V175-M190 HydrophobicContact CB-CE 4.38Å; V175-M190 HydrophobicContact CG1-CE 3.64Å; V175-M190 HydrophobicContact CG1-CG 4.01Å
176	D	85.1	Confident	86	Confident	65 Å²	65	84.6 Å²	84.6	35%	0.348	45%	0.445	S	S	.	.	H	α-helix	trans	-63.2	-47.4	174.9	-83.4	-53.2	0	0	0	111.7	M172 N173 I174 V178 A179 E180 K186	M172-D176 WeakPolarHBondContact O-CB 3.44Å; M172-D176 PolarHBondContact O-N 2.99Å; N173-D176 PolarHBondContact O-N 3.11Å; I174-D176 VanDerWaalsContact C-N 3.29Å; I174-D176 PolarHBondContact O-N 3.29Å; D176-V178 PolarHBondContact O-N 2.82Å; D176-A179 PolarHBondContact O-N 3.41Å; D176-E180 PolarHBondContact O-N 3.41Å; D176-E180 VanDerWaalsContact O-N 3.15Å; D176-K186 VanDerWaalsContact OD1-CE 3.32Å; D176-K186 WeakPolarHBondContact OD1-CE 3.45Å; D176-K186 IonicContact OD1-NZ 4Å; D176-K186 PolarHBondContact OD1-NZ 3.25Å; D176-K186 IonicContact OD2-NZ 2.88Å; D176-K186 PolarHBondContact OD2-NZ 3.4Å
177	A	90.1	Very high	85.6	Confident	57 Å²	57	86.2 Å²	86.2	47%	0.471	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-39.5	177.9	0	0	0	0	0	113.1	N173 I174	N173-A177 PolarHBondContact O-N 2.95Å; I174-A177 PolarHBondContact O-N 3.45Å
178	V	88.3	Confident	85.2	Confident	64 Å²	64	82 Å²	82	39%	0.388	44%	0.44	S	S	.	.	H	α-helix	trans	-69.6	-40.5	175.3	176.7	0	0	0	0	110.5	I174 D176 E180 S181 Y182 L189	I174-V178 HydrophobicContact CG2-CG2 4.48Å; I174-V178 WeakPolarHBondContact O-CG2 3.19Å; I174-V178 PolarHBondContact O-N 3.39Å; D176-V178 PolarHBondContact O-N 2.82Å; V178-E180 PolarHBondContact O-N 3.24Å; V178-S181 PolarHBondContact O-N 2.94Å; V178-S181 VanDerWaalsContact O-N 3.1Å; V178-S181 PolarHBondContact O-OG 3.47Å; V178-Y182 WeakPolarHBondContact O-CB 3.3Å; V178-Y182 PolarHBondContact O-N 2.84Å; V178-Y182 VanDerWaalsContact O-N 3.13Å; V178-L189 HydrophobicContact CB-CD2 4.02Å; V178-L189 HydrophobicContact CG1-CD1 4.04Å; V178-L189 HydrophobicContact CG1-CD2 3.73Å
179	A	88.2	Confident	85	Confident	23 Å²	23	80.3 Å²	80.3	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-62.8	-23.9	179.6	0	0	0	0	0	113.6	V175 D176 S181 Y182 K186 L189	V175-A179 WeakPolarHBondContact O-CB 3.43Å; V175-A179 PolarHBondContact O-N 2.86Å; D176-A179 PolarHBondContact O-N 3.41Å; A179-S181 VanDerWaalsContact C-N 3.26Å; A179-S181 PolarHBondContact O-N 2.84Å; A179-Y182 PolarHBondContact O-N 3.4Å; A179-K186 HydrophobicContact CB-CB 4.11Å; A179-K186 HydrophobicContact CB-CG 4.16Å; A179-L189 HydrophobicContact CB-CD2 4.04Å
180	E	88.2	Confident	84.7	Confident	174 Å²	174	72.5 Å²	72.5	81%	0.813	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.2	174	-73.2	175.5	-166.6	0	0	113	D176 V178	D176-E180 PolarHBondContact O-N 3.41Å; D176-E180 VanDerWaalsContact O-N 3.15Å; V178-E180 PolarHBondContact O-N 3.24Å
181	S	88.6	Confident	84.3	Confident	103 Å²	103	71.7 Å²	71.7	72%	0.72	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-3	179.7	59.6	0	0	0	0	113.7	V178 A179	V178-S181 PolarHBondContact O-N 2.94Å; V178-S181 VanDerWaalsContact O-N 3.1Å; V178-S181 PolarHBondContact O-OG 3.47Å; A179-S181 VanDerWaalsContact C-N 3.26Å; A179-S181 PolarHBondContact O-N 2.84Å
182	Y	87.8	Confident	84	Confident	66 Å²	66	74.7 Å²	74.7	26%	0.259	42%	0.417	S	S	.	.			trans	-82	134.1	-174.4	-167.3	-110.4	0	0	0	111.4	V178 A179 S184 L189 D192	V178-Y182 WeakPolarHBondContact O-CB 3.3Å; V178-Y182 PolarHBondContact O-N 2.84Å; V178-Y182 VanDerWaalsContact O-N 3.13Å; A179-Y182 PolarHBondContact O-N 3.4Å; Y182-S184 WeakPolarHBondContact CD1-O 3.11Å; Y182-S184 PolarHBondContact O-N 3.46Å; Y182-L189 HydrophobicContact CD1-CB 3.73Å; Y182-L189 HydrophobicContact CD1-CD1 4.24Å; Y182-L189 HydrophobicContact CD1-CG 4.41Å; Y182-L189 HydrophobicContact CD2-CD1 3.77Å; Y182-L189 HydrophobicContact CE1-CB 3.73Å; Y182-L189 HydrophobicContact CE1-CD1 4.21Å; Y182-L189 HydrophobicContact CE2-CD1 3.78Å; Y182-L189 HydrophobicContact CG-CB 4.28Å; Y182-L189 HydrophobicContact CG-CD1 4.03Å; Y182-L189 HydrophobicContact CG-CD2 4.45Å; Y182-L189 HydrophobicContact CG-CG 4.49Å; Y182-D192 PolarHBondContact OH-OD2 2.82Å
183	P	86.8	Confident	83.7	Confident	124 Å²	124	79.8 Å²	79.8	81%	0.805	44%	0.44	S	S	*	.	S	Bend	trans	-69.6	-15.7	-172.9	26.3	-35.7	0	0	0	114.6
184	S	85.8	Confident	82.8	Confident	65 Å²	65	81.3 Å²	81.3	46%	0.455	45%	0.448	S	S	.	.	S	Bend	trans	-117.6	177.2	-178.8	-68.9	0	0	0	0	112.3	Y182	Y182-S184 WeakPolarHBondContact CD1-O 3.11Å; Y182-S184 PolarHBondContact O-N 3.46Å
185	S	84.9	Confident	81.8	Confident	72 Å²	72	77.6 Å²	77.6	50%	0.503	43%	0.431	S	S	.	.			trans	-62.5	150	179.4	78	0	0	0	0	112.8	K187 Q188 L189	S185-K187 PolarHBondContact O-N 3.18Å; S185-Q188 WeakPolarHBondContact O-CA 3.39Å; S185-Q188 WeakPolarHBondContact O-CB 3.27Å; S185-Q188 PolarHBondContact O-N 3.07Å; S185-Q188 PolarHBondContact OG-N 3.13Å; S185-L189 PolarHBondContact O-N 2.87Å
186	K	79.3	Confident	80.5	Confident	65 Å²	65	82.1 Å²	82.1	28%	0.283	46%	0.459	S	S	.	.	H	α-helix	trans	-50.7	-33.4	173.8	-178.2	178.6	-178.3	177.8	0	113.8	V175 D176 A179 Q188 M190	V175-K186 HydrophobicContact CG1-CG 4.1Å; D176-K186 VanDerWaalsContact OD1-CE 3.32Å; D176-K186 WeakPolarHBondContact OD1-CE 3.45Å; D176-K186 IonicContact OD1-NZ 4Å; D176-K186 PolarHBondContact OD1-NZ 3.25Å; D176-K186 IonicContact OD2-NZ 2.88Å; D176-K186 PolarHBondContact OD2-NZ 3.4Å; A179-K186 HydrophobicContact CB-CB 4.11Å; A179-K186 HydrophobicContact CB-CG 4.16Å; K186-Q188 VanDerWaalsContact C-N 3.34Å; K186-M190 HydrophobicContact CG-CE 4.38Å; K186-M190 WeakPolarHBondContact O-CG 3.23Å; K186-M190 PolarHBondContact O-N 3.14Å; K186-M190 VanDerWaalsContact O-N 3.13Å
187	K	78.5	Confident	79	Confident	148 Å²	148	82.8 Å²	82.8	64%	0.643	47%	0.468	S	S	*	.	H	α-helix	trans	-64.8	-39.9	176.4	-71.6	-176.9	-178.5	176.3	0	111.6	S185 M190 V191	S185-K187 PolarHBondContact O-N 3.18Å; K187-M190 PolarHBondContact O-N 3.45Å; K187-V191 WeakPolarHBondContact O-CG2 3.43Å; K187-V191 PolarHBondContact O-N 2.56Å; K187-V191 VanDerWaalsContact O-N 3.14Å
188	Q	77.9	Confident	77.3	Confident	90 Å²	90	82.4 Å²	82.4	42%	0.421	46%	0.456	S	S	.	.	H	α-helix	trans	-68.6	-44.4	178.8	-163.7	68.1	5.2	0	0	110.7	S185 K186 M190 V191 D192	S185-Q188 WeakPolarHBondContact O-CA 3.39Å; S185-Q188 WeakPolarHBondContact O-CB 3.27Å; S185-Q188 PolarHBondContact O-N 3.07Å; S185-Q188 PolarHBondContact OG-N 3.13Å; K186-Q188 VanDerWaalsContact C-N 3.34Å; Q188-M190 VanDerWaalsContact C-N 3.25Å; Q188-M190 PolarHBondContact O-N 2.83Å; Q188-V191 CarbonylContact O-C 3.56Å; Q188-V191 WeakPolarHBondContact O-CA 3.4Å; Q188-V191 WeakPolarHBondContact O-CB 3.13Å; Q188-V191 PolarHBondContact O-N 2.81Å; Q188-D192 VanDerWaalsContact O-CG 3.28Å; Q188-D192 PolarHBondContact O-N 2.93Å
189	L	80.7	Confident	75.4	Confident	6 Å²	6	83.9 Å²	83.9	3%	0.031	46%	0.462	C	S	.	.	H	α-helix	trans	-52.8	-44.6	172.8	178.4	63.8	0	0	0	112	V175 V178 A179 Y182 S185 V191 D192 E193	V175-L189 HydrophobicContact CG1-CD2 4.12Å; V178-L189 HydrophobicContact CB-CD2 4.02Å; V178-L189 HydrophobicContact CG1-CD1 4.04Å; V178-L189 HydrophobicContact CG1-CD2 3.73Å; A179-L189 HydrophobicContact CB-CD2 4.04Å; Y182-L189 HydrophobicContact CD1-CB 3.73Å; Y182-L189 HydrophobicContact CD1-CD1 4.24Å; Y182-L189 HydrophobicContact CD1-CG 4.41Å; Y182-L189 HydrophobicContact CD2-CD1 3.77Å; Y182-L189 HydrophobicContact CE1-CB 3.73Å; Y182-L189 HydrophobicContact CE1-CD1 4.21Å; Y182-L189 HydrophobicContact CE2-CD1 3.78Å; Y182-L189 HydrophobicContact CG-CB 4.28Å; Y182-L189 HydrophobicContact CG-CD1 4.03Å; Y182-L189 HydrophobicContact CG-CD2 4.45Å; Y182-L189 HydrophobicContact CG-CG 4.49Å; S185-L189 PolarHBondContact O-N 2.87Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 3.39Å; L189-D192 PolarHBondContact O-N 3.48Å; L189-E193 HydrophobicContact CD1-CG 4Å; L189-E193 WeakPolarHBondContact O-CB 3.45Å; L189-E193 WeakPolarHBondContact O-CG 3.38Å; L189-E193 PolarHBondContact O-N 3.33Å
190	M	77.1	Confident	73.5	Confident	11 Å²	11	86.6 Å²	86.6	5%	0.054	47%	0.467	C	S	.	.	H	α-helix	trans	-66.7	-30.5	176.8	-72.7	-177.1	173.3	0	0	113.7	M172 V175 K186 K187 Q188 C195 N199	M172-M190 HydrophobicContact CE-CE 3.51Å; M172-M190 HydrophobicContact SD-CE 3.52Å; M172-M190 VanDerWaalsContact SD-CE 3.52Å; V175-M190 HydrophobicContact CB-CE 4.38Å; V175-M190 HydrophobicContact CG1-CE 3.64Å; V175-M190 HydrophobicContact CG1-CG 4.01Å; K186-M190 HydrophobicContact CG-CE 4.38Å; K186-M190 WeakPolarHBondContact O-CG 3.23Å; K186-M190 PolarHBondContact O-N 3.14Å; K186-M190 VanDerWaalsContact O-N 3.13Å; K187-M190 PolarHBondContact O-N 3.45Å; Q188-M190 VanDerWaalsContact C-N 3.25Å; Q188-M190 PolarHBondContact O-N 2.83Å; M190-C195 HydrophobicContact CB-CB 4.09Å; M190-C195 HydrophobicContact CG-CB 4.3Å; M190-C195 WeakPolarHBondContact O-CA 3.36Å; M190-C195 VanDerWaalsContact O-CB 3.32Å; M190-C195 WeakPolarHBondContact O-CB 3.48Å; M190-C195 PolarHBondContact O-N 2.87Å; M190-N199 HydrophobicContact SD-CB 4.37Å
191	V	77.5	Confident	71.3	Confident	89 Å²	89	88.3 Å²	88.3	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-74.6	-44.5	176	170.6	0	0	0	0	109.9	K187 Q188 L189 N194	K187-V191 WeakPolarHBondContact O-CG2 3.43Å; K187-V191 PolarHBondContact O-N 2.56Å; K187-V191 VanDerWaalsContact O-N 3.14Å; Q188-V191 CarbonylContact O-C 3.56Å; Q188-V191 WeakPolarHBondContact O-CA 3.4Å; Q188-V191 WeakPolarHBondContact O-CB 3.13Å; Q188-V191 PolarHBondContact O-N 2.81Å; L189-V191 VanDerWaalsContact C-N 3.32Å; L189-V191 PolarHBondContact O-N 3.39Å; V191-N194 PolarHBondContact O-N 3.42Å; V191-N194 VanDerWaalsContact O-N 3.08Å; V191-N194 PolarHBondContact O-OD1 3.28Å
192	D	77.1	Confident	69	Low	86 Å²	86	86.8 Å²	86.8	46%	0.46	47%	0.472	S	S	.	.	H	α-helix	trans	-67.3	-38.6	-177.6	-64.5	-10.8	0	0	0	111.8	Y182 Q188 L189 N194	Y182-D192 PolarHBondContact OH-OD2 2.82Å; Q188-D192 VanDerWaalsContact O-CG 3.28Å; Q188-D192 PolarHBondContact O-N 2.93Å; L189-D192 PolarHBondContact O-N 3.48Å; D192-N194 PolarHBondContact O-N 2.87Å
193	E	75.4	Confident	66.9	Low	143 Å²	143	90 Å²	90	67%	0.668	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	9.8	173.5	-66.5	-68.6	169.2	0	0	113.2	L189 C195	L189-E193 HydrophobicContact CD1-CG 4Å; L189-E193 WeakPolarHBondContact O-CB 3.45Å; L189-E193 WeakPolarHBondContact O-CG 3.38Å; L189-E193 PolarHBondContact O-N 3.33Å; E193-C195 PolarHBondContact O-N 2.74Å
194	N	68.9	Low	64.8	Low	132 Å²	132	87.9 Å²	87.9	71%	0.706	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	29.9	-176.1	-78.6	-5.6	0	0	0	114.4	V191 D192 T196	V191-N194 PolarHBondContact O-N 3.42Å; V191-N194 VanDerWaalsContact O-N 3.08Å; V191-N194 PolarHBondContact O-OD1 3.28Å; D192-N194 PolarHBondContact O-N 2.87Å; N194-T196 PolarHBondContact O-N 2.9Å
195	C	65.7	Low	62.8	Low	25 Å²	25	93.8 Å²	93.8	17%	0.169	48%	0.482	C	S	.	.			trans	-78.9	51.7	-178.1	-151.3	0	0	0	0	111.8	M190 E193 C197 F198	M190-C195 HydrophobicContact CB-CB 4.09Å; M190-C195 HydrophobicContact CG-CB 4.3Å; M190-C195 WeakPolarHBondContact O-CA 3.36Å; M190-C195 VanDerWaalsContact O-CB 3.32Å; M190-C195 WeakPolarHBondContact O-CB 3.48Å; M190-C195 PolarHBondContact O-N 2.87Å; E193-C195 PolarHBondContact O-N 2.74Å; C195-C197 VanDerWaalsContact C-N 3.25Å; C195-C197 PolarHBondContact O-N 3.25Å; C195-F198 WeakPolarHBondContact SG-CD2 3.48Å
196	T	59.2	Low	61	Low	117 Å²	117	93 Å²	93	72%	0.718	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.8	-176.6	57.6	0	0	0	0	113.3	N194 F198	N194-T196 PolarHBondContact O-N 2.9Å; T196-F198 VanDerWaalsContact C-N 3.26Å; T196-F198 PolarHBondContact O-N 3.49Å
197	C	54.1	Low	59.3	Low	79 Å²	79	94.1 Å²	94.1	53%	0.534	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.7	-175.7	-63	0	0	0	0	114.8	C195 W200	C195-C197 VanDerWaalsContact C-N 3.25Å; C195-C197 PolarHBondContact O-N 3.25Å; C197-W200 PolarHBondContact O-NE1 2.89Å; C197-W200 VanDerWaalsContact O-NE1 3.17Å
198	F	53.5	Low	57.6	Low	48 Å²	48	92.4 Å²	92.4	21%	0.211	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-18.7	-165.2	-62.5	-80.4	0	0	0	115.4	K168 A171 M172 C195 T196 W200	K168-F198 HydrophobicContact CB-CD1 4.15Å; K168-F198 HydrophobicContact CB-CE1 4.12Å; K168-F198 HydrophobicContact CD-CD1 4.45Å; K168-F198 HydrophobicContact CG-CD1 3.93Å; K168-F198 HydrophobicContact CG-CE1 4.41Å; A171-F198 HydrophobicContact CB-CD1 4.28Å; A171-F198 HydrophobicContact CB-CE1 3.69Å; A171-F198 HydrophobicContact CB-CE2 4.19Å; A171-F198 HydrophobicContact CB-CZ 3.61Å; M172-F198 HydrophobicContact SD-CB 3.9Å; C195-F198 WeakPolarHBondContact SG-CD2 3.48Å; T196-F198 VanDerWaalsContact C-N 3.26Å; T196-F198 PolarHBondContact O-N 3.49Å; F198-W200 PolarHBondContact O-N 3.18Å
199	N	47.7	Very low	56.2	Low	96 Å²	96	90.9 Å²	90.9	51%	0.513	47%	0.467	S	S	.	.			trans	-78.8	65.9	177.4	-145.1	1.1	0	0	0	110.8	M190	M190-N199 HydrophobicContact SD-CB 4.37Å
200	W	49.4	Very low	54.6	Low	79 Å²	79	91.1 Å²	91.1	30%	0.299	47%	0.471	S	S	.	.			trans	-103.5	-4.6	-164.8	-107.7	59.6	0	0	0	113.8	W164 K168 C197 F198 G202 W208	W164-W200 AromaticContact CH2-CD2 3.98Å; W164-W200 HydrophobicContact CH2-CD2 3.98Å; W164-W200 AromaticContact CH2-CE3 3.36Å; W164-W200 HydrophobicContact CH2-CE3 3.36Å; W164-W200 AromaticContact CH2-CH2 3.91Å; W164-W200 HydrophobicContact CH2-CH2 3.91Å; W164-W200 HydrophobicContact CH2-CZ2 4.49Å; W164-W200 AromaticContact CH2-CZ3 3.26Å; W164-W200 HydrophobicContact CH2-CZ3 3.26Å; W164-W200 AromaticContact CZ2-CD2 3.77Å; W164-W200 HydrophobicContact CZ2-CD2 3.77Å; W164-W200 AromaticContact CZ2-CE2 3.89Å; W164-W200 AromaticContact CZ2-CE3 3.62Å; W164-W200 HydrophobicContact CZ2-CE3 3.62Å; W164-W200 HydrophobicContact CZ2-CG 4.49Å; W164-W200 AromaticContact CZ2-CH2 3.74Å; W164-W200 HydrophobicContact CZ2-CH2 3.74Å; W164-W200 AromaticContact CZ2-CZ2 3.93Å; W164-W200 HydrophobicContact CZ2-CZ2 3.93Å; W164-W200 AromaticContact CZ2-CZ3 3.54Å; W164-W200 HydrophobicContact CZ2-CZ3 3.54Å; W164-W200 HydrophobicContact CZ3-CZ3 4.12Å; K168-W200 VanDerWaalsContact NZ-CB 3.26Å; C197-W200 PolarHBondContact O-NE1 2.89Å; C197-W200 VanDerWaalsContact O-NE1 3.17Å; F198-W200 PolarHBondContact O-N 3.18Å; W200-G202 VanDerWaalsContact C-N 3.33Å; W200-G202 PolarHBondContact O-N 3.36Å; W200-W208 HydrophobicContact CE3-CH2 4.17Å; W200-W208 AromaticContact CE3-CZ2 3.84Å; W200-W208 HydrophobicContact CE3-CZ2 3.84Å; W200-W208 HydrophobicContact CH2-CD2 4.23Å; W200-W208 AromaticContact CH2-CE3 3.95Å; W200-W208 HydrophobicContact CH2-CE3 3.95Å; W200-W208 AromaticContact CH2-CH2 3.43Å; W200-W208 HydrophobicContact CH2-CH2 3.43Å; W200-W208 VanDerWaalsContact CH2-CH2 3.43Å; W200-W208 AromaticContact CH2-CZ2 3.67Å; W200-W208 HydrophobicContact CH2-CZ2 3.67Å; W200-W208 AromaticContact CH2-CZ3 3.54Å; W200-W208 HydrophobicContact CH2-CZ3 3.54Å; W200-W208 AromaticContact CZ3-CE2 3.89Å; W200-W208 HydrophobicContact CZ3-CE3 4.4Å; W200-W208 AromaticContact CZ3-CH2 3.08Å; W200-W208 HydrophobicContact CZ3-CH2 3.08Å; W200-W208 AromaticContact CZ3-CZ2 3.14Å; W200-W208 HydrophobicContact CZ3-CZ2 3.14Å; W200-W208 AromaticContact CZ3-CZ3 3.74Å; W200-W208 HydrophobicContact CZ3-CZ3 3.74Å
201	K	40.9	Very low	52.7	Low	210 Å²	210	95.4 Å²	95.4	91%	0.913	49%	0.491	S	S	*	.	S	Bend	trans	-78.4	84	175.8	-71.1	-164.7	178.6	-175.8	0	108.4
202	G	41.4	Very low	51.1	Low	71 Å²	71	94.3 Å²	94.3	73%	0.732	49%	0.487	S	S	*	.	S	Bend	trans	142.5	-5.4	166.3	0	0	0	0	0	118.4	W200	W200-G202 VanDerWaalsContact C-N 3.33Å; W200-G202 PolarHBondContact O-N 3.36Å
203	R	42.7	Very low	49.4	Very low	135 Å²	135	95.2 Å²	95.2	51%	0.509	48%	0.484	S	S	.	.			trans	-81.4	127.2	177.2	-66.2	-111.3	-78	-143.9	-4.7	110.8	E207 E211	R203-E207 WeakPolarHBondContact CD-OE2 3.32Å; R203-E207 IonicContact CZ-OE2 3.79Å; R203-E207 IonicContact NE-OE2 2.87Å; R203-E207 PolarHBondContact NE-OE2 3.06Å; R203-E211 IonicContact NH2-OE1 2.56Å; R203-E211 IonicContact NH2-OE2 2.76Å; R203-E211 PolarHBondContact NH2-OE2 2.91Å; R203-E211 VanDerWaalsContact NH2-OE2 3.09Å
204	P	42.6	Very low	48	Very low	79 Å²	79	90.5 Å²	90.5	51%	0.513	47%	0.466	S	S	.	.			trans	-56.8	143.8	178.6	-24.3	33.3	0	0	0	112.5	T206 E207	P204-T206 PolarHBondContact O-N 3.23Å; P204-E207 PolarHBondContact O-N 3.31Å
205	R	44.5	Very low	46.9	Very low	188 Å²	188	87.6 Å²	87.6	71%	0.709	46%	0.461	S	S	*	.	H	α-helix	trans	-50.8	-23.1	177.2	-173.7	178.1	-72.1	-121.3	2.6	113.4	W208	R205-W208 VanDerWaalsContact CA-CD1 3.41Å; R205-W208 VanDerWaalsContact O-CB 3.23Å; R205-W208 WeakPolarHBondContact O-CB 3.47Å; R205-W208 PolarHBondContact O-N 3.38Å
206	T	46.4	Very low	46.1	Very low	55 Å²	55	89.6 Å²	89.6	34%	0.337	48%	0.479	S	S	.	.	H	α-helix	trans	-70.2	-28.9	179.5	49.4	0	0	0	0	114.2	P204 W208 I234	P204-T206 PolarHBondContact O-N 3.23Å; T206-W208 VanDerWaalsContact C-N 3.33Å; T206-I234 HydrophobicContact CG2-CB 4.21Å; T206-I234 HydrophobicContact CG2-CD1 4.47Å; T206-I234 HydrophobicContact CG2-CG2 3.5Å; T206-I234 VanDerWaalsContact CG2-CG2 3.5Å; T206-I234 WeakPolarHBondContact O-CD1 3.4Å
207	E	43.5	Very low	45.5	Very low	89 Å²	89	88.2 Å²	88.2	42%	0.416	46%	0.462	S	S	.	.	H	α-helix	trans	-80.2	-18.2	176.4	-73.5	-176.8	153.1	0	0	112.5	R203 P204 V209 G210	R203-E207 WeakPolarHBondContact CD-OE2 3.32Å; R203-E207 IonicContact CZ-OE2 3.79Å; R203-E207 IonicContact NE-OE2 2.87Å; R203-E207 PolarHBondContact NE-OE2 3.06Å; P204-E207 PolarHBondContact O-N 3.31Å; E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 2.99Å; E207-G210 PolarHBondContact O-N 3.48Å
208	W	43.6	Very low	45	Very low	113 Å²	113	86.9 Å²	86.9	43%	0.428	46%	0.456	S	S	.	.	H	α-helix	trans	-59.1	-41.7	-179.6	-76.9	48.5	0	0	0	113.9	W200 R205 T206 G210 C212	W200-W208 HydrophobicContact CE3-CH2 4.17Å; W200-W208 AromaticContact CE3-CZ2 3.84Å; W200-W208 HydrophobicContact CE3-CZ2 3.84Å; W200-W208 HydrophobicContact CH2-CD2 4.23Å; W200-W208 AromaticContact CH2-CE3 3.95Å; W200-W208 HydrophobicContact CH2-CE3 3.95Å; W200-W208 AromaticContact CH2-CH2 3.43Å; W200-W208 HydrophobicContact CH2-CH2 3.43Å; W200-W208 VanDerWaalsContact CH2-CH2 3.43Å; W200-W208 AromaticContact CH2-CZ2 3.67Å; W200-W208 HydrophobicContact CH2-CZ2 3.67Å; W200-W208 AromaticContact CH2-CZ3 3.54Å; W200-W208 HydrophobicContact CH2-CZ3 3.54Å; W200-W208 AromaticContact CZ3-CE2 3.89Å; W200-W208 HydrophobicContact CZ3-CE3 4.4Å; W200-W208 AromaticContact CZ3-CH2 3.08Å; W200-W208 HydrophobicContact CZ3-CH2 3.08Å; W200-W208 AromaticContact CZ3-CZ2 3.14Å; W200-W208 HydrophobicContact CZ3-CZ2 3.14Å; W200-W208 AromaticContact CZ3-CZ3 3.74Å; W200-W208 HydrophobicContact CZ3-CZ3 3.74Å; R205-W208 VanDerWaalsContact CA-CD1 3.41Å; R205-W208 VanDerWaalsContact O-CB 3.23Å; R205-W208 WeakPolarHBondContact O-CB 3.47Å; R205-W208 PolarHBondContact O-N 3.38Å; T206-W208 VanDerWaalsContact C-N 3.33Å; W208-G210 PolarHBondContact O-N 2.98Å; W208-C212 WeakPolarHBondContact O-CB 3.32Å; W208-C212 PolarHBondContact O-N 3.41Å
209	V	47.8	Very low	44.6	Very low	57 Å²	57	90 Å²	90	35%	0.345	48%	0.481	S	S	.	.	H	α-helix	trans	-74.8	-20.6	-173	-174.2	0	0	0	0	109.6	E207 W213 I230 I234	E207-V209 VanDerWaalsContact C-N 3.35Å; E207-V209 PolarHBondContact O-N 2.99Å; V209-W213 HydrophobicContact CG1-CB 4.5Å; V209-W213 WeakPolarHBondContact O-CB 3.37Å; V209-I230 HydrophobicContact CB-CG2 3.47Å; V209-I230 VanDerWaalsContact CB-CG2 3.47Å; V209-I230 HydrophobicContact CG1-CG1 4.46Å; V209-I230 HydrophobicContact CG1-CG2 3.65Å; V209-I230 WeakPolarHBondContact O-CD1 3.49Å; V209-I234 HydrophobicContact CB-CD1 3.71Å; V209-I234 HydrophobicContact CB-CG1 4.45Å; V209-I234 HydrophobicContact CG2-CD1 3.41Å; V209-I234 VanDerWaalsContact CG2-CD1 3.41Å; V209-I234 HydrophobicContact CG2-CG1 4.02Å
210	G	46.8	Very low	44.6	Very low	12 Å²	12	91.4 Å²	91.4	12%	0.124	49%	0.488	C	S	.	.	H	α-helix	trans	-64.3	-66.2	176.8	0	0	0	0	0	113.3	E207 W208 S214	E207-G210 PolarHBondContact O-N 3.48Å; W208-G210 PolarHBondContact O-N 2.98Å; G210-S214 WeakPolarHBondContact O-CB 3.19Å; G210-S214 PolarHBondContact O-N 2.89Å; G210-S214 PolarHBondContact O-OG 2.9Å
211	E	38.4	Very low	44.3	Very low	100 Å²	100	90.5 Å²	90.5	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-84.4	-38.7	-167.7	-70.2	168.5	-175.4	0	0	112	R203 S214 A215	R203-E211 IonicContact NH2-OE1 2.56Å; R203-E211 IonicContact NH2-OE2 2.76Å; R203-E211 PolarHBondContact NH2-OE2 2.91Å; R203-E211 VanDerWaalsContact NH2-OE2 3.09Å; E211-S214 PolarHBondContact O-N 3.39Å; E211-A215 WeakPolarHBondContact O-CB 3.12Å; E211-A215 PolarHBondContact O-N 2.82Å
212	C	44	Very low	44.4	Very low	67 Å²	67	83.2 Å²	83.2	45%	0.453	48%	0.476	S	S	.	.	H	α-helix	trans	-71.3	-32.6	176.8	-68.3	0	0	0	0	112.8	W208 A215 A216	W208-C212 WeakPolarHBondContact O-CB 3.32Å; W208-C212 PolarHBondContact O-N 3.41Å; C212-A215 PolarHBondContact O-N 3.43Å; C212-A216 WeakPolarHBondContact O-CB 3.25Å; C212-A216 PolarHBondContact O-N 3.23Å
213	W	41.9	Very low	44.3	Very low	105 Å²	105	85.7 Å²	85.7	40%	0.398	48%	0.477	S	S	.	.	H	α-helix	trans	-72.3	-35.8	174.5	-145.1	70.6	0	0	0	110	V209 Y217 V225	V209-W213 HydrophobicContact CG1-CB 4.5Å; V209-W213 WeakPolarHBondContact O-CB 3.37Å; W213-Y217 AromaticContact CD1-CD2 3.88Å; W213-Y217 AromaticContact CD1-CE2 3.27Å; W213-Y217 HydrophobicContact CD2-CD2 4.17Å; W213-Y217 HydrophobicContact CD2-CE2 4.04Å; W213-Y217 AromaticContact CE2-CE2 3.69Å; W213-Y217 AromaticContact CE2-CZ 3.8Å; W213-Y217 AromaticContact CG-CD2 3.94Å; W213-Y217 HydrophobicContact CG-CD2 3.94Å; W213-Y217 AromaticContact CG-CE2 3.78Å; W213-Y217 HydrophobicContact CG-CE2 3.78Å; W213-Y217 HydrophobicContact CZ2-CE1 4.47Å; W213-Y217 HydrophobicContact CZ2-CE2 4.45Å; W213-Y217 AromaticContact NE1-CE2 3.16Å; W213-Y217 AromaticContact NE1-CZ 3.42Å; W213-Y217 PolarHBondContact NE1-OH 2.9Å; W213-Y217 VanDerWaalsContact O-CB 3.3Å; W213-Y217 WeakPolarHBondContact O-CB 3.41Å; W213-Y217 WeakPolarHBondContact O-CD2 3.46Å; W213-Y217 PolarHBondContact O-N 2.96Å; W213-Y217 VanDerWaalsContact O-N 3.16Å; W213-V225 HydrophobicContact CE3-CG2 3.96Å; W213-V225 HydrophobicContact CZ3-CG1 4.48Å; W213-V225 HydrophobicContact CZ3-CG2 3.8Å
214	S	45.9	Very low	44.5	Very low	43 Å²	43	82.6 Å²	82.6	30%	0.301	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-43.4	170.6	-62.5	0	0	0	0	112.3	G210 E211 A218	G210-S214 WeakPolarHBondContact O-CB 3.19Å; G210-S214 PolarHBondContact O-N 2.89Å; G210-S214 PolarHBondContact O-OG 2.9Å; E211-S214 PolarHBondContact O-N 3.39Å; S214-A218 WeakPolarHBondContact O-CB 3.27Å; S214-A218 PolarHBondContact O-N 3.48Å
215	A	45.9	Very low	44.7	Very low	71 Å²	71	80.6 Å²	80.6	59%	0.587	47%	0.474	S	S	*	.	H	α-helix	trans	-73.3	-38.6	-178.6	0	0	0	0	0	114	E211 C212 Y217 P219	E211-A215 WeakPolarHBondContact O-CB 3.12Å; E211-A215 PolarHBondContact O-N 2.82Å; C212-A215 PolarHBondContact O-N 3.43Å; A215-Y217 VanDerWaalsContact C-N 3.35Å; A215-P219 WeakPolarHBondContact O-CD 3.43Å
216	A	48.3	Very low	44.6	Very low	68 Å²	68	74.5 Å²	74.5	56%	0.562	46%	0.46	S	S	*	.	H	α-helix	trans	-73.7	-26.9	179	0	0	0	0	0	112.8	C212	C212-A216 WeakPolarHBondContact O-CB 3.25Å; C212-A216 PolarHBondContact O-N 3.23Å
217	Y	47.4	Very low	44.4	Very low	88 Å²	88	79.2 Å²	79.2	35%	0.345	48%	0.476	S	S	.	.	H	α-helix	trans	-104.8	-5.9	-179.2	-65.5	-105.7	0	0	0	113.8	W213 A215 P219 L220 G221 V222	W213-Y217 AromaticContact CD1-CD2 3.88Å; W213-Y217 AromaticContact CD1-CE2 3.27Å; W213-Y217 HydrophobicContact CD2-CD2 4.17Å; W213-Y217 HydrophobicContact CD2-CE2 4.04Å; W213-Y217 AromaticContact CE2-CE2 3.69Å; W213-Y217 AromaticContact CE2-CZ 3.8Å; W213-Y217 AromaticContact CG-CD2 3.94Å; W213-Y217 HydrophobicContact CG-CD2 3.94Å; W213-Y217 AromaticContact CG-CE2 3.78Å; W213-Y217 HydrophobicContact CG-CE2 3.78Å; W213-Y217 HydrophobicContact CZ2-CE1 4.47Å; W213-Y217 HydrophobicContact CZ2-CE2 4.45Å; W213-Y217 AromaticContact NE1-CE2 3.16Å; W213-Y217 AromaticContact NE1-CZ 3.42Å; W213-Y217 PolarHBondContact NE1-OH 2.9Å; W213-Y217 VanDerWaalsContact O-CB 3.3Å; W213-Y217 WeakPolarHBondContact O-CB 3.41Å; W213-Y217 WeakPolarHBondContact O-CD2 3.46Å; W213-Y217 PolarHBondContact O-N 2.96Å; W213-Y217 VanDerWaalsContact O-N 3.16Å; A215-Y217 VanDerWaalsContact C-N 3.35Å; Y217-P219 VanDerWaalsContact C-CD 3.44Å; Y217-P219 VanDerWaalsContact C-N 3.31Å; Y217-L220 HydrophobicContact CD1-CD1 3.7Å; Y217-L220 HydrophobicContact CE1-CD1 4.26Å; Y217-L220 HydrophobicContact CG-CD1 4.39Å; Y217-L220 CarbonylContact O-C 3.55Å; Y217-L220 WeakPolarHBondContact O-CA 3.38Å; Y217-L220 WeakPolarHBondContact O-CB 3.34Å; Y217-L220 PolarHBondContact O-N 3.2Å; Y217-G221 PolarHBondContact O-N 2.76Å; Y217-V222 HydrophobicContact CD1-CG2 4.46Å; Y217-V222 PolarHBondContact O-N 2.88Å
218	A	42.9	Very low	44.4	Very low	51 Å²	51	82.3 Å²	82.3	42%	0.421	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-54.3	-39.3	169.7	0	0	0	0	0	113.3	S214 L220 G221	S214-A218 WeakPolarHBondContact O-CB 3.27Å; S214-A218 PolarHBondContact O-N 3.48Å; A218-L220 PolarHBondContact O-N 3.37Å; A218-G221 PolarHBondContact O-N 3.18Å
219	P	43.8	Very low	44.6	Very low	112 Å²	112	80.6 Å²	80.6	73%	0.727	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-64.8	-19.9	172.3	-21.4	33.7	0	0	0	114	A215 Y217 G221	A215-P219 WeakPolarHBondContact O-CD 3.43Å; Y217-P219 VanDerWaalsContact C-CD 3.44Å; Y217-P219 VanDerWaalsContact C-N 3.31Å; P219-G221 VanDerWaalsContact C-N 3.32Å
220	L	49.2	Very low	44.5	Very low	127 Å²	127	78.3 Å²	78.3	67%	0.665	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-92.2	9.5	175.7	-58.3	174.4	0	0	0	112.2	Y217 A218 V222	Y217-L220 HydrophobicContact CD1-CD1 3.7Å; Y217-L220 HydrophobicContact CE1-CD1 4.26Å; Y217-L220 HydrophobicContact CG-CD1 4.39Å; Y217-L220 CarbonylContact O-C 3.55Å; Y217-L220 WeakPolarHBondContact O-CA 3.38Å; Y217-L220 WeakPolarHBondContact O-CB 3.34Å; Y217-L220 PolarHBondContact O-N 3.2Å; A218-L220 PolarHBondContact O-N 3.37Å; L220-V222 VanDerWaalsContact C-N 3.25Å; L220-V222 HydrophobicContact CB-CG2 4.38Å; L220-V222 PolarHBondContact O-N 3.35Å
221	G	42.7	Very low	44	Very low	60 Å²	60	84.9 Å²	84.9	62%	0.619	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	7.9	179.8	0	0	0	0	0	114.8	Y217 A218 P219 T223	Y217-G221 PolarHBondContact O-N 2.76Å; A218-G221 PolarHBondContact O-N 3.18Å; P219-G221 VanDerWaalsContact C-N 3.32Å; G221-T223 PolarHBondContact O-N 3.19Å
222	V	42.5	Very low	44.1	Very low	56 Å²	56	85.6 Å²	85.6	34%	0.339	51%	0.508	S	S	.	.			trans	-84.3	95.7	177.6	-170.2	0	0	0	0	108.6	Y217 L220 V225	Y217-V222 HydrophobicContact CD1-CG2 4.46Å; Y217-V222 PolarHBondContact O-N 2.88Å; L220-V222 VanDerWaalsContact C-N 3.25Å; L220-V222 HydrophobicContact CB-CG2 4.38Å; L220-V222 PolarHBondContact O-N 3.35Å; V222-V225 HydrophobicContact CG1-CG2 4.12Å
223	T	39.6	Very low	44.2	Very low	123 Å²	123	86.7 Å²	86.7	76%	0.755	51%	0.509	S	S	*	.			trans	-110.3	144.5	171.9	61.3	0	0	0	0	109.6	G221	G221-T223 PolarHBondContact O-N 3.19Å
224	G	47.4	Very low	44.2	Very low	71 Å²	71	82.4 Å²	82.4	73%	0.732	49%	0.494	S	S	*	.			trans	90.2	25.6	166.5	0	0	0	0	0	118.2	S226	G224-S226 PolarHBondContact O-N 3.1Å
225	V	47	Very low	43.6	Very low	37 Å²	37	84.2 Å²	84.2	22%	0.224	51%	0.505	C	S	.	.			trans	-69.2	104.9	168.3	-170.9	0	0	0	0	108.4	W213 V222 V229 I230	W213-V225 HydrophobicContact CE3-CG2 3.96Å; W213-V225 HydrophobicContact CZ3-CG1 4.48Å; W213-V225 HydrophobicContact CZ3-CG2 3.8Å; V222-V225 HydrophobicContact CG1-CG2 4.12Å; V225-V229 HydrophobicContact CG1-CB 4.28Å; V225-V229 HydrophobicContact CG1-CG1 4.33Å; V225-I230 HydrophobicContact CB-CD1 4.06Å; V225-I230 HydrophobicContact CG1-CD1 3.55Å; V225-I230 HydrophobicContact CG1-CG1 3.71Å
226	S	41.9	Very low	43.4	Very low	59 Å²	59	86.2 Å²	86.2	41%	0.413	50%	0.503	S	S	.	.			trans	-58.5	142.1	-176.1	72.3	0	0	0	0	110.8	G224 Q228 V229	G224-S226 PolarHBondContact O-N 3.1Å; S226-Q228 PolarHBondContact O-N 3.46Å; S226-V229 PolarHBondContact O-N 3.4Å; S226-V229 WeakPolarHBondContact OG-CG2 3.21Å
227	K	42.8	Very low	43.2	Very low	155 Å²	155	90.4 Å²	90.4	67%	0.674	51%	0.508	S	S	*	.	H	α-helix	trans	-49	-28.8	177	-86.7	-176.5	173	179.2	0	112.8	K231	K227-K231 WeakPolarHBondContact O-CB 3.23Å; K227-K231 PolarHBondContact O-N 3.15Å; K227-K231 VanDerWaalsContact O-N 3.11Å
228	Q	42.1	Very low	42.7	Very low	154 Å²	154	91 Å²	91	72%	0.72	51%	0.514	S	S	*	.	H	α-helix	trans	-69	-42.6	179.4	-82.1	167.4	-27.8	0	0	113.6	S226 I230 K231 M232	S226-Q228 PolarHBondContact O-N 3.46Å; Q228-I230 VanDerWaalsContact C-N 3.26Å; Q228-I230 PolarHBondContact O-N 3.13Å; Q228-K231 PolarHBondContact O-N 3.21Å; Q228-M232 PolarHBondContact O-N 2.8Å
229	V	47.4	Very low	42.5	Very low	76 Å²	76	92.9 Å²	92.9	46%	0.461	53%	0.529	S	S	.	.	H	α-helix	trans	-64.9	-35.5	-178.2	174.3	0	0	0	0	111	V225 S226 N233	V225-V229 HydrophobicContact CG1-CB 4.28Å; V225-V229 HydrophobicContact CG1-CG1 4.33Å; S226-V229 PolarHBondContact O-N 3.4Å; S226-V229 WeakPolarHBondContact OG-CG2 3.21Å; V229-N233 PolarHBondContact O-N 2.89Å; V229-N233 VanDerWaalsContact O-N 3.13Å
230	I	46	Very low	42.2	Very low	10 Å²	10	91 Å²	91	5%	0.051	52%	0.523	C	S	.	.	H	α-helix	trans	-77.3	-38.4	178.7	-69.3	168	0	0	0	111.5	V209 V225 Q228 M232 N233 I234	V209-I230 HydrophobicContact CB-CG2 3.47Å; V209-I230 VanDerWaalsContact CB-CG2 3.47Å; V209-I230 HydrophobicContact CG1-CG1 4.46Å; V209-I230 HydrophobicContact CG1-CG2 3.65Å; V209-I230 WeakPolarHBondContact O-CD1 3.49Å; V225-I230 HydrophobicContact CB-CD1 4.06Å; V225-I230 HydrophobicContact CG1-CD1 3.55Å; V225-I230 HydrophobicContact CG1-CG1 3.71Å; Q228-I230 VanDerWaalsContact C-N 3.26Å; Q228-I230 PolarHBondContact O-N 3.13Å; I230-M232 PolarHBondContact O-N 3.43Å; I230-N233 PolarHBondContact O-N 2.96Å; I230-I234 HydrophobicContact CG2-CD1 3.88Å; I230-I234 HydrophobicContact CG2-CG1 4.48Å; I230-I234 WeakPolarHBondContact O-CG1 3.37Å; I230-I234 PolarHBondContact O-N 3.33Å
231	K	36.7	Very low	41.4	Very low	149 Å²	149	90.4 Å²	90.4	65%	0.648	52%	0.519	S	S	*	.	H	α-helix	trans	-59.2	-39.3	172.8	-156.7	174.6	-173.7	-179.1	0	110.9	K227 Q228 C235	K227-K231 WeakPolarHBondContact O-CB 3.23Å; K227-K231 PolarHBondContact O-N 3.15Å; K227-K231 VanDerWaalsContact O-N 3.11Å; Q228-K231 PolarHBondContact O-N 3.21Å; K231-C235 VanDerWaalsContact O-CB 3.29Å; K231-C235 WeakPolarHBondContact O-CB 3.44Å; K231-C235 PolarHBondContact O-N 3.21Å
232	M	41.5	Very low	41	Very low	116 Å²	116	91.8 Å²	91.8	57%	0.571	52%	0.517	S	S	*	.	H	α-helix	trans	-63.6	-48.1	173.6	-86.9	-173.7	49.1	0	0	113.1	Q228 I230 I234 C235 Q236	Q228-M232 PolarHBondContact O-N 2.8Å; I230-M232 PolarHBondContact O-N 3.43Å; M232-I234 VanDerWaalsContact C-N 3.3Å; M232-I234 PolarHBondContact O-N 3.45Å; M232-C235 PolarHBondContact O-N 3.08Å; M232-Q236 WeakPolarHBondContact O-CB 3.35Å; M232-Q236 VanDerWaalsContact O-CG 3.32Å; M232-Q236 WeakPolarHBondContact O-CG 3.33Å; M232-Q236 PolarHBondContact O-N 2.99Å
233	N	45.7	Very low	40.5	Very low	90 Å²	90	98.7 Å²	98.7	48%	0.481	55%	0.546	S	S	.	.	H	α-helix	trans	-67.5	-27.8	-178.2	-88.5	-12.6	0	0	0	113.7	V229 I230 K237	V229-N233 PolarHBondContact O-N 2.89Å; V229-N233 VanDerWaalsContact O-N 3.13Å; I230-N233 PolarHBondContact O-N 2.96Å; N233-K237 WeakPolarHBondContact O-CB 3.46Å; N233-K237 WeakPolarHBondContact O-CG 3.45Å; N233-K237 PolarHBondContact O-N 2.97Å; N233-K237 VanDerWaalsContact O-N 3.07Å
234	I	40.4	Very low	40.2	Very low	15 Å²	15	97.5 Å²	97.5	8%	0.077	54%	0.539	C	S	.	.	H	α-helix	trans	-85.2	-37.8	175.3	-54	167	0	0	0	111.4	T206 V209 I230 M232 Q236 K237 H238	T206-I234 HydrophobicContact CG2-CB 4.21Å; T206-I234 HydrophobicContact CG2-CD1 4.47Å; T206-I234 HydrophobicContact CG2-CG2 3.5Å; T206-I234 VanDerWaalsContact CG2-CG2 3.5Å; T206-I234 WeakPolarHBondContact O-CD1 3.4Å; V209-I234 HydrophobicContact CB-CD1 3.71Å; V209-I234 HydrophobicContact CB-CG1 4.45Å; V209-I234 HydrophobicContact CG2-CD1 3.41Å; V209-I234 VanDerWaalsContact CG2-CD1 3.41Å; V209-I234 HydrophobicContact CG2-CG1 4.02Å; I230-I234 HydrophobicContact CG2-CD1 3.88Å; I230-I234 HydrophobicContact CG2-CG1 4.48Å; I230-I234 WeakPolarHBondContact O-CG1 3.37Å; I230-I234 PolarHBondContact O-N 3.33Å; M232-I234 VanDerWaalsContact C-N 3.3Å; M232-I234 PolarHBondContact O-N 3.45Å; I234-Q236 PolarHBondContact O-N 3.27Å; I234-K237 CarbonylContact O-C 3.45Å; I234-K237 PolarHBondContact O-N 3.28Å; I234-K237 VanDerWaalsContact O-N 3.17Å; I234-H238 WeakPolarHBondContact O-CB 3.27Å; I234-H238 PolarHBondContact O-N 2.96Å
235	C	34.9	Very low	39.3	Very low	80 Å²	80	103.6 Å²	103.6	54%	0.541	55%	0.551	S	S	.	*	H	α-helix	trans	-58.2	-40.7	168.5	-88.6	0	0	0	0	110.9	K231 M232 H238 A239	K231-C235 VanDerWaalsContact O-CB 3.29Å; K231-C235 WeakPolarHBondContact O-CB 3.44Å; K231-C235 PolarHBondContact O-N 3.21Å; M232-C235 PolarHBondContact O-N 3.08Å; C235-H238 PolarHBondContact O-N 3.28Å; C235-A239 VanDerWaalsContact O-CB 3.26Å; C235-A239 WeakPolarHBondContact O-CB 3.32Å; C235-A239 PolarHBondContact O-N 2.88Å
236	Q	40.9	Very low	38.4	Very low	114 Å²	114	105.3 Å²	105.3	53%	0.533	58%	0.576	S	S	.	*	H	α-helix	trans	-67	-37.8	174.8	-76.2	-176.5	-15.2	0	0	112.4	M232 I234 A240	M232-Q236 WeakPolarHBondContact O-CB 3.35Å; M232-Q236 VanDerWaalsContact O-CG 3.32Å; M232-Q236 WeakPolarHBondContact O-CG 3.33Å; M232-Q236 PolarHBondContact O-N 2.99Å; I234-Q236 PolarHBondContact O-N 3.27Å; Q236-A240 VanDerWaalsContact O-CB 3.31Å; Q236-A240 WeakPolarHBondContact O-CB 3.43Å; Q236-A240 PolarHBondContact O-N 3.24Å
237	K	43.9	Very low	37.6	Very low	155 Å²	155	108.4 Å²	108.4	67%	0.674	60%	0.596	S	S	*	*	H	α-helix	trans	-71.5	-28.4	173.6	-79.7	-177.1	178.3	-177.8	0	113.9	N233 I234 I241	N233-K237 WeakPolarHBondContact O-CB 3.46Å; N233-K237 WeakPolarHBondContact O-CG 3.45Å; N233-K237 PolarHBondContact O-N 2.97Å; N233-K237 VanDerWaalsContact O-N 3.07Å; I234-K237 CarbonylContact O-C 3.45Å; I234-K237 PolarHBondContact O-N 3.28Å; I234-K237 VanDerWaalsContact O-N 3.17Å; K237-I241 WeakPolarHBondContact O-CG1 3.36Å; K237-I241 PolarHBondContact O-N 3.06Å
238	H	37.9	Very low	37	Very low	102 Å²	102	109.3 Å²	109.3	47%	0.472	61%	0.607	S	S	.	*	H	α-helix	trans	-80.6	-33.6	173.1	-79.3	24.6	0	0	0	112	I234 C235 A240 I241	I234-H238 WeakPolarHBondContact O-CB 3.27Å; I234-H238 PolarHBondContact O-N 2.96Å; C235-H238 PolarHBondContact O-N 3.28Å; H238-A240 PolarHBondContact O-N 3.05Å; H238-I241 PolarHBondContact O-N 3.03Å; H238-I241 VanDerWaalsContact O-N 3.14Å
239	A	37.6	Very low	36.4	Very low	89 Å²	89	107.5 Å²	107.5	74%	0.736	61%	0.611	S	S	*	*	H	α-helix	trans	-64.2	-23.1	167.7	0	0	0	0	0	112.1	C235	C235-A239 VanDerWaalsContact O-CB 3.26Å; C235-A239 WeakPolarHBondContact O-CB 3.32Å; C235-A239 PolarHBondContact O-N 2.88Å
240	A	38.6	Very low	35.9	Very low	73 Å²	73	117.2 Å²	117.2	60%	0.603	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	5	174.8	0	0	0	0	0	114.4	Q236 H238 P242	Q236-A240 VanDerWaalsContact O-CB 3.31Å; Q236-A240 WeakPolarHBondContact O-CB 3.43Å; Q236-A240 PolarHBondContact O-N 3.24Å; H238-A240 PolarHBondContact O-N 3.05Å; A240-P242 WeakPolarHBondContact O-CD 3.39Å
241	I	31.8	Very low	35.4	Very low	114 Å²	114	122.6 Å²	122.6	59%	0.585	68%	0.677	S	S	*	*	S	Bend	trans	-91.7	106.1	164.8	-60.8	172.8	0	0	0	106.1	K237 H238	K237-I241 WeakPolarHBondContact O-CG1 3.36Å; K237-I241 PolarHBondContact O-N 3.06Å; H238-I241 PolarHBondContact O-N 3.03Å; H238-I241 VanDerWaalsContact O-N 3.14Å
242	P	33.9	Very low	35.4	Very low	89 Å²	89	121.2 Å²	121.2	58%	0.578	68%	0.678	S	S	*	*			trans	-62.6	140.8	-175.7	-15.9	29.8	0	0	0	110.2	A240 T244	A240-P242 WeakPolarHBondContact O-CD 3.39Å; P242-T244 HydrophobicContact CB-CG2 4.14Å; P242-T244 PolarHBondContact O-N 3.18Å
243	E	32.3	Very low	35	Very low	201 Å²	201	121.4 Å²	121.4	94%	0.939	68%	0.684	S	S	*	*	S	Bend	trans	-60.6	73.4	160.5	-68.2	177.3	156.1	0	0	109.4
244	T	32.5	Very low	34.4	Very low	99 Å²	99	123.3 Å²	123.3	61%	0.607	70%	0.696	S	S	*	*			trans	-141.6	64.5	175.6	57	0	0	0	0	110.6	P242	P242-T244 HydrophobicContact CB-CG2 4.14Å; P242-T244 PolarHBondContact O-N 3.18Å
245	M	29.8	Very low	34	Very low	198 Å²	198	130.1 Å²	130.1	98%	0.975	74%	0.735	S	S	*	*	S	Bend	trans	-167	82.3	149.8	-110.2	173.4	-90.2	0	0	109.7
246	G	28.1	Very low	34	Very low	74 Å²	74	133.4 Å²	133.4	76%	0.763	75%	0.748	S	S	*	*			trans	-162.4	18.7	179.6	0	0	0	0	0	116.2
247	C	25.7	Very low	33.5	Very low	124 Å²	124	134.8 Å²	134.8	84%	0.838	76%	0.763	S	S	*	*			trans	-132.7	69.4	168.3	-75.1	0	0	0	0	109.8
248	I	29.8	Very low	32.7	Very low	174 Å²	174	133.2 Å²	133.2	89%	0.892	77%	0.77	S	S	*	*			trans	-133.1	83.4	150.5	-55.5	179.9	0	0	0	106.1
249	S	28.2	Very low	32.2	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	80%	0.795	S	S	*	*			trans	-108.8	101.3	163.5	44.9	0	0	0	0	107.7
250	K	38.4	Very low	31.7	Very low	280 Å²	280	140.1 Å²	140.1	100%	1.217	80%	0.8	S	S	*	*			trans	-160.4	0	147.5	-103.9	-177.7	-172	-176	0	108

Retrieved 250 of 250 residues in 76 ms (Link to these results)

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