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Vacuolar H[+] ATPase 36kD subunit 3, isoform C

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment.

AlphaFold DB (Q9NEF6), UniProt , Accession X2JE14, Species DROME (Drosophila melanogaster, Fruit fly), Gene Vha36-3, Length 249 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	50.8	Low	76.2	Confident	154 Å²	154	92.6 Å²	92.6	76%	0.759	51%	0.507	S	S	*	.				0	136.1	0	-45.6	175	170	0	0	108.8	R6	M1-R6 VanDerWaalsContact SD-CZ 3.54Å
2	A	54.7	Low	77.6	Confident	60 Å²	60	89 Å²	89	50%	0.496	49%	0.493	S	S	.	.			trans	-60.9	137.9	-176.9	0	0	0	0	0	110.9	K4 D5	A2-K4 PolarHBondContact O-N 3.1Å; A2-D5 PolarHBondContact O-N 2.92Å
3	A	61.9	Low	78.6	Confident	98 Å²	98	95.1 Å²	95.1	81%	0.81	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-56.9	-18.2	-179	0	0	0	0	0	113.7
4	K	74.9	Confident	79.7	Confident	184 Å²	184	92 Å²	92	80%	0.8	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-74.9	-21.3	177.6	-66.2	-175.9	179	179.3	0	114	A2 R6	A2-K4 PolarHBondContact O-N 3.1Å; K4-R6 VanDerWaalsContact C-N 3.33Å
5	D	80.5	Confident	80.5	Confident	66 Å²	66	86.3 Å²	86.3	35%	0.353	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-83.1	-11.9	-174.6	-66.1	-36.8	0	0	0	113.8	A2 R179	A2-D5 PolarHBondContact O-N 2.92Å; D5-R179 WeakPolarHBondContact O-CG 3.25Å
6	R	81.1	Confident	81.2	Confident	54 Å²	54	83.4 Å²	83.4	20%	0.204	46%	0.458	C	S	.	.	S	Bend	trans	-119.5	165.6	-176.1	-62.4	-173.1	-103	-170.8	5.6	110.3	M1 K4 R179 R182	M1-R6 VanDerWaalsContact SD-CZ 3.54Å; K4-R6 VanDerWaalsContact C-N 3.33Å; R6-R179 PolarHBondContact O-NH2 3Å; R6-R182 HydrophobicContact CG-CB 4.25Å
7	L	84.6	Confident	82	Confident	47 Å²	47	84.1 Å²	84.1	25%	0.246	47%	0.465	C	S	.	.			trans	-84.9	140.5	168.4	-70.3	164.6	0	0	0	108.9	I9 M19 I180 T183	L7-I9 VanDerWaalsContact C-N 3.32Å; L7-I9 PolarHBondContact O-N 3.01Å; L7-M19 HydrophobicContact CD1-CE 4.41Å; L7-M19 HydrophobicContact CD1-SD 3.9Å; L7-I180 HydrophobicContact CD1-CG1 4.48Å; L7-T183 HydrophobicContact CB-CG2 4.16Å; L7-T183 PolarHBondContact N-OG1 3.42Å; L7-T183 VanDerWaalsContact N-OG1 3.1Å
8	P	85.2	Confident	82.7	Confident	138 Å²	138	84.4 Å²	84.4	90%	0.896	47%	0.466	S	S	*	.			trans	-76	83.4	178.2	31.8	-34.2	0	0	0	109.8
9	I	85.3	Confident	83.3	Confident	43 Å²	43	80.4 Å²	80.4	22%	0.221	44%	0.443	C	S	.	.			trans	-128.9	138.6	177.8	-167	163.9	0	0	0	110.6	L7 A15 L18 M19 T183 I187	L7-I9 VanDerWaalsContact C-N 3.32Å; L7-I9 PolarHBondContact O-N 3.01Å; I9-A15 HydrophobicContact CD1-CB 3.58Å; I9-A15 HydrophobicContact CG1-CB 3.9Å; I9-L18 HydrophobicContact CD1-CD2 4.38Å; I9-M19 HydrophobicContact CD1-CE 3.53Å; I9-T183 HydrophobicContact CG2-CG2 3.64Å; I9-I187 HydrophobicContact CG2-CD1 3.99Å
10	F	89.2	Confident	83.8	Confident	164 Å²	164	81.8 Å²	81.8	72%	0.719	45%	0.445	S	S	*	.			trans	-71	133.1	174.7	-174.1	-95.7	0	0	0	110.4	S12 A15	F10-S12 PolarHBondContact O-N 3.44Å; F10-A15 WeakPolarHBondContact O-CB 3.35Å
11	P	90.5	Very high	84.4	Confident	11 Å²	11	81.1 Å²	81.1	7%	0.071	45%	0.446	C	S	.	.			trans	-70	111.9	-178	28.4	-33.6	0	0	0	110.9	I187 E190	P11-I187 HydrophobicContact CB-CG1 4.47Å; P11-I187 HydrophobicContact CB-CG2 4.45Å; P11-E190 HydrophobicContact CB-CB 3.63Å; P11-E190 HydrophobicContact CB-CG 4.19Å; P11-E190 HydrophobicContact CG-CB 3.75Å; P11-E190 HydrophobicContact CG-CG 4.07Å
12	S	92.7	Very high	86.5	Confident	49 Å²	49	80.4 Å²	80.4	34%	0.343	44%	0.435	S	S	.	.			trans	-145	157.5	173	72.9	0	0	0	0	110.3	F10 G14 A15 Q16	F10-S12 PolarHBondContact O-N 3.44Å; S12-G14 PolarHBondContact O-N 3.37Å; S12-A15 WeakPolarHBondContact O-CB 3.39Å; S12-A15 PolarHBondContact O-N 3Å; S12-A15 WeakPolarHBondContact OG-CB 3.49Å; S12-A15 PolarHBondContact OG-N 3.34Å; S12-Q16 PolarHBondContact O-N 3.45Å
13	R	90.6	Very high	88.4	Confident	168 Å²	168	79.8 Å²	79.8	63%	0.634	42%	0.423	S	S	*	.	H	α-helix	trans	-57.7	-35.4	174.9	-70.4	-175.1	175.7	-178.2	-0.3	111.9	Q16 T17 L191 E195	R13-Q16 WeakPolarHBondContact O-CB 3.4Å; R13-Q16 PolarHBondContact O-N 3Å; R13-T17 PolarHBondContact O-N 3.1Å; R13-T17 VanDerWaalsContact O-N 3.16Å; R13-T17 PolarHBondContact O-OG1 3.31Å; R13-L191 HydrophobicContact CG-CD1 4.12Å; R13-L191 HydrophobicContact CG-CD2 4.35Å; R13-E195 IonicContact CZ-OE1 2.73Å; R13-E195 IonicContact NE-OE1 2.72Å; R13-E195 IonicContact NH2-OE1 3.82Å; R13-E195 PolarHBondContact NH2-OE1 2.98Å
14	G	93.3	Very high	90	Very high	52 Å²	52	77.7 Å²	77.7	54%	0.536	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-43.1	173	0	0	0	0	0	113	S12 Q16 T17 L18	S12-G14 PolarHBondContact O-N 3.37Å; G14-Q16 VanDerWaalsContact C-N 3.33Å; G14-Q16 PolarHBondContact O-N 2.98Å; G14-T17 PolarHBondContact O-N 2.98Å; G14-L18 PolarHBondContact O-N 3.23Å
15	A	92.4	Very high	91	Very high	7 Å²	7	71 Å²	71	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-63.7	-37.5	174.4	0	0	0	0	0	112.1	I9 F10 S12 L18 M19 I187	I9-A15 HydrophobicContact CD1-CB 3.58Å; I9-A15 HydrophobicContact CG1-CB 3.9Å; F10-A15 WeakPolarHBondContact O-CB 3.35Å; S12-A15 WeakPolarHBondContact O-CB 3.39Å; S12-A15 PolarHBondContact O-N 3Å; S12-A15 WeakPolarHBondContact OG-CB 3.49Å; S12-A15 PolarHBondContact OG-N 3.34Å; A15-L18 PolarHBondContact O-N 3.4Å; A15-M19 WeakPolarHBondContact O-CG 3.41Å; A15-M19 PolarHBondContact O-N 3.46Å; A15-I187 HydrophobicContact CB-CD1 4.25Å
16	Q	92.2	Very high	91.7	Very high	39 Å²	39	68.7 Å²	68.7	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-60	-47.5	175.5	-164.7	-166.1	21.6	0	0	111.3	S12 R13 G14 L18 M19 K20 I187	S12-Q16 PolarHBondContact O-N 3.45Å; R13-Q16 WeakPolarHBondContact O-CB 3.4Å; R13-Q16 PolarHBondContact O-N 3Å; G14-Q16 VanDerWaalsContact C-N 3.33Å; G14-Q16 PolarHBondContact O-N 2.98Å; Q16-L18 VanDerWaalsContact C-N 3.35Å; Q16-L18 PolarHBondContact O-N 3.23Å; Q16-M19 PolarHBondContact O-N 3.49Å; Q16-K20 WeakPolarHBondContact O-CG 3.27Å; Q16-K20 PolarHBondContact O-N 2.84Å; Q16-I187 HydrophobicContact CB-CG2 3.84Å; Q16-I187 HydrophobicContact CG-CG2 4.23Å
17	T	94.8	Very high	92.3	Very high	95 Å²	95	69.3 Å²	69.3	58%	0.583	39%	0.389	S	S	*	.	H	α-helix	trans	-62.2	-41.6	177.2	-60.5	0	0	0	0	111.7	R13 G14 M19 K20 S21	R13-T17 PolarHBondContact O-N 3.1Å; R13-T17 VanDerWaalsContact O-N 3.16Å; R13-T17 PolarHBondContact O-OG1 3.31Å; G14-T17 PolarHBondContact O-N 2.98Å; T17-M19 PolarHBondContact O-N 3.16Å; T17-K20 PolarHBondContact O-N 3.43Å; T17-S21 PolarHBondContact O-N 2.83Å; T17-S21 PolarHBondContact O-OG 3.33Å
18	L	94.4	Very high	92.8	Very high	91 Å²	91	74.4 Å²	74.4	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-40.4	175	-179.4	64.6	0	0	0	112.4	I9 G14 A15 Q16 S21 R22	I9-L18 HydrophobicContact CD1-CD2 4.38Å; G14-L18 PolarHBondContact O-N 3.23Å; A15-L18 PolarHBondContact O-N 3.4Å; Q16-L18 VanDerWaalsContact C-N 3.35Å; Q16-L18 PolarHBondContact O-N 3.23Å; L18-S21 PolarHBondContact O-OG 3.06Å; L18-R22 WeakPolarHBondContact O-CB 3.44Å; L18-R22 PolarHBondContact O-N 3.04Å
19	M	93.4	Very high	93.3	Very high	8 Å²	8	69 Å²	69	4%	0.039	38%	0.378	C	S	.	.	H	α-helix	trans	-71.7	-38.2	178.3	-70.2	-57.7	129.2	0	0	112	L7 I9 A15 Q16 T17 R22 L23 T183 I184 I187	L7-M19 HydrophobicContact CD1-CE 4.41Å; L7-M19 HydrophobicContact CD1-SD 3.9Å; I9-M19 HydrophobicContact CD1-CE 3.53Å; A15-M19 WeakPolarHBondContact O-CG 3.41Å; A15-M19 PolarHBondContact O-N 3.46Å; Q16-M19 PolarHBondContact O-N 3.49Å; T17-M19 PolarHBondContact O-N 3.16Å; M19-R22 PolarHBondContact O-N 3.07Å; M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 PolarHBondContact O-N 2.98Å; M19-T183 HydrophobicContact CG-CG2 4.26Å; M19-T183 HydrophobicContact SD-CG2 4.28Å; M19-I184 HydrophobicContact CB-CD1 4.2Å; M19-I184 HydrophobicContact CB-CG1 3.61Å; M19-I187 HydrophobicContact CB-CD1 4.44Å; M19-I187 HydrophobicContact CG-CD1 3.8Å
20	K	94.3	Very high	93.8	Very high	107 Å²	107	68.5 Å²	68.5	47%	0.465	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-42.7	172.6	-75.3	178.1	176.7	174.6	0	111.9	Q16 T17 L23 A24 I184	Q16-K20 WeakPolarHBondContact O-CG 3.27Å; Q16-K20 PolarHBondContact O-N 2.84Å; T17-K20 PolarHBondContact O-N 3.43Å; K20-L23 WeakPolarHBondContact O-CB 3.48Å; K20-L23 PolarHBondContact O-N 3.4Å; K20-A24 PolarHBondContact O-N 3.27Å; K20-I184 HydrophobicContact CG-CD1 4.44Å
21	S	95.4	Very high	94	Very high	69 Å²	69	62.2 Å²	62.2	48%	0.483	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-38.9	176.3	71.3	0	0	0	0	112	T17 L18 A24 G25	T17-S21 PolarHBondContact O-N 2.83Å; T17-S21 PolarHBondContact O-OG 3.33Å; L18-S21 PolarHBondContact O-OG 3.06Å; S21-A24 PolarHBondContact O-N 2.86Å; S21-G25 PolarHBondContact O-N 3.44Å
22	R	94.1	Very high	94.2	Very high	139 Å²	139	66.8 Å²	66.8	53%	0.525	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-38	173.8	-170.1	-178.8	-89.2	-117.8	-0.1	112.2	L18 M19 G25 A26 I180	L18-R22 WeakPolarHBondContact O-CB 3.44Å; L18-R22 PolarHBondContact O-N 3.04Å; M19-R22 PolarHBondContact O-N 3.07Å; R22-G25 PolarHBondContact O-N 3.35Å; R22-A26 WeakPolarHBondContact O-CB 3.42Å; R22-A26 PolarHBondContact O-N 2.94Å; R22-I180 HydrophobicContact CG-CD1 3.83Å
23	L	94.8	Very high	94.3	Very high	47 Å²	47	66.5 Å²	66.5	25%	0.246	37%	0.374	C	S	.	.	H	α-helix	trans	-61.4	-50	173.6	-175.6	152.4	0	0	0	111	M19 K20 G25 A26 T27 I180 N181 I184	M19-L23 WeakPolarHBondContact O-CB 3.32Å; M19-L23 PolarHBondContact O-N 2.98Å; K20-L23 WeakPolarHBondContact O-CB 3.48Å; K20-L23 PolarHBondContact O-N 3.4Å; L23-G25 VanDerWaalsContact C-N 3.27Å; L23-G25 PolarHBondContact O-N 3.14Å; L23-A26 PolarHBondContact O-N 3.41Å; L23-A26 VanDerWaalsContact O-N 3.14Å; L23-T27 HydrophobicContact CD2-CG2 4.12Å; L23-T27 WeakPolarHBondContact O-CG2 3.19Å; L23-T27 PolarHBondContact O-N 3.04Å; L23-T27 PolarHBondContact O-OG1 3.03Å; L23-I180 HydrophobicContact CB-CG2 3.87Å; L23-I180 HydrophobicContact CD1-CG2 4.31Å; L23-N181 WeakPolarHBondContact CD1-OD1 3.44Å; L23-I184 HydrophobicContact CB-CD1 4.26Å; L23-I184 HydrophobicContact CD1-CD1 3.63Å
24	A	95.7	Very high	94.4	Very high	54 Å²	54	63.9 Å²	63.9	45%	0.446	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-37.3	176.8	0	0	0	0	0	112.3	K20 S21 T27 K28	K20-A24 PolarHBondContact O-N 3.27Å; S21-A24 PolarHBondContact O-N 2.86Å; A24-T27 WeakPolarHBondContact CA-OG1 3.3Å; A24-T27 PolarHBondContact O-OG1 3.11Å; A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 3.5Å
25	G	95.8	Very high	94.5	Very high	44 Å²	44	68.8 Å²	68.8	45%	0.454	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-43.6	172.7	0	0	0	0	0	112.9	S21 R22 L23 G29	S21-G25 PolarHBondContact O-N 3.44Å; R22-G25 PolarHBondContact O-N 3.35Å; L23-G25 VanDerWaalsContact C-N 3.27Å; L23-G25 PolarHBondContact O-N 3.14Å; G25-G29 PolarHBondContact O-N 2.99Å
26	A	95.3	Very high	94.5	Very high	16 Å²	16	71.8 Å²	71.8	13%	0.132	39%	0.386	C	S	.	.	H	α-helix	trans	-66.3	-42.1	178.4	0	0	0	0	0	112.3	R22 L23 G29 H30 I172 I176 I177 I180	R22-A26 WeakPolarHBondContact O-CB 3.42Å; R22-A26 PolarHBondContact O-N 2.94Å; L23-A26 PolarHBondContact O-N 3.41Å; L23-A26 VanDerWaalsContact O-N 3.14Å; A26-G29 PolarHBondContact O-N 3.36Å; A26-H30 WeakPolarHBondContact O-CB 3.38Å; A26-H30 PolarHBondContact O-N 2.87Å; A26-I172 HydrophobicContact CB-CG2 4.41Å; A26-I176 HydrophobicContact CB-CG2 4.5Å; A26-I177 HydrophobicContact CB-CG1 4.23Å; A26-I180 HydrophobicContact CB-CD1 4.22Å
27	T	94.7	Very high	94.4	Very high	68 Å²	68	70.2 Å²	70.2	42%	0.417	38%	0.379	S	S	.	.	H	α-helix	trans	-67.1	-42.5	177.4	56.7	0	0	0	0	111.8	L23 A24 H30 G31 I177	L23-T27 HydrophobicContact CD2-CG2 4.12Å; L23-T27 WeakPolarHBondContact O-CG2 3.19Å; L23-T27 PolarHBondContact O-N 3.04Å; L23-T27 PolarHBondContact O-OG1 3.03Å; A24-T27 WeakPolarHBondContact CA-OG1 3.3Å; A24-T27 PolarHBondContact O-OG1 3.11Å; T27-H30 PolarHBondContact O-N 3.28Å; T27-G31 PolarHBondContact O-N 2.93Å; T27-G31 VanDerWaalsContact O-N 3.09Å; T27-I177 HydrophobicContact CG2-CD1 4.3Å
28	K	95.4	Very high	94.4	Very high	153 Å²	153	69.8 Å²	69.8	67%	0.665	37%	0.373	S	S	*	.	H	α-helix	trans	-63.7	-43.3	173.5	-170.3	175.8	-176.5	178.2	0	111.6	A24 G31 L32	A24-K28 WeakPolarHBondContact O-CB 3.44Å; A24-K28 PolarHBondContact O-N 3.5Å; K28-G31 PolarHBondContact O-N 3.1Å; K28-L32 HydrophobicContact CG-CD1 4.41Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.21Å
29	G	94.9	Very high	94.3	Very high	24 Å²	24	67.4 Å²	67.4	25%	0.247	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-42.5	176.4	0	0	0	0	0	112.7	G25 A26 L32 L33	G25-G29 PolarHBondContact O-N 2.99Å; A26-G29 PolarHBondContact O-N 3.36Å; G29-L32 PolarHBondContact O-N 3.46Å; G29-L33 WeakPolarHBondContact O-CB 3.36Å; G29-L33 WeakPolarHBondContact O-CG 3.25Å; G29-L33 PolarHBondContact O-N 3.36Å
30	H	94.9	Very high	94.3	Very high	34 Å²	34	67 Å²	67	16%	0.157	37%	0.365	C	S	.	.	H	α-helix	trans	-57.9	-49.3	172.9	175.8	-92.8	0	0	0	111.6	A26 T27 L32 L33 K34 V169 I172 E173	A26-H30 WeakPolarHBondContact O-CB 3.38Å; A26-H30 PolarHBondContact O-N 2.87Å; T27-H30 PolarHBondContact O-N 3.28Å; H30-L32 PolarHBondContact O-N 3.15Å; H30-L33 PolarHBondContact O-N 3.37Å; H30-K34 WeakPolarHBondContact O-CB 3.15Å; H30-K34 PolarHBondContact O-N 3.24Å; H30-V169 WeakPolarHBondContact NE2-CG1 3.47Å; H30-I172 HydrophobicContact CB-CG2 3.86Å; H30-E173 IonicContact NE2-OE2 3.69Å
31	G	94.2	Very high	94.2	Very high	31 Å²	31	65.8 Å²	65.8	32%	0.32	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-40.3	178.5	0	0	0	0	0	113.6	T27 K28 K35	T27-G31 PolarHBondContact O-N 2.93Å; T27-G31 VanDerWaalsContact O-N 3.09Å; K28-G31 PolarHBondContact O-N 3.1Å; G31-K35 WeakPolarHBondContact O-CG 3.5Å; G31-K35 PolarHBondContact O-N 3.18Å; G31-K35 VanDerWaalsContact O-N 3.16Å
32	L	94.6	Very high	94	Very high	107 Å²	107	68.5 Å²	68.5	56%	0.56	37%	0.368	S	S	*	.	H	α-helix	trans	-68.5	-44.1	177.6	-70.3	172.9	0	0	0	112.3	K28 G29 H30 K34 K35 K36	K28-L32 HydrophobicContact CG-CD1 4.41Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.21Å; G29-L32 PolarHBondContact O-N 3.46Å; H30-L32 PolarHBondContact O-N 3.15Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K35 PolarHBondContact O-N 2.87Å; L32-K36 PolarHBondContact O-N 3.41Å
33	L	94.5	Very high	93.8	Very high	43 Å²	43	68.6 Å²	68.6	23%	0.225	37%	0.368	C	S	.	.	H	α-helix	trans	-67.4	-36.1	178.6	-71.9	176.3	0	0	0	112.1	G29 H30 K36 A37 T165 R168 V169 I172	G29-L33 WeakPolarHBondContact O-CB 3.36Å; G29-L33 WeakPolarHBondContact O-CG 3.25Å; G29-L33 PolarHBondContact O-N 3.36Å; H30-L33 PolarHBondContact O-N 3.37Å; L33-K36 PolarHBondContact O-N 3Å; L33-A37 WeakPolarHBondContact O-CB 3.28Å; L33-A37 PolarHBondContact O-N 3.25Å; L33-T165 HydrophobicContact CD2-CG2 4.45Å; L33-R168 HydrophobicContact CD1-CB 4.31Å; L33-V169 HydrophobicContact CB-CG2 3.65Å; L33-I172 HydrophobicContact CD1-CD1 3.65Å
34	K	93.9	Very high	93.7	Very high	114 Å²	114	68.1 Å²	68.1	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-49.2	173.6	-172.9	167.3	-176.6	170.6	0	111.5	H30 L32 K36 A37 D38	H30-K34 WeakPolarHBondContact O-CB 3.15Å; H30-K34 PolarHBondContact O-N 3.24Å; L32-K34 VanDerWaalsContact C-N 3.34Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.35Å; K34-A37 WeakPolarHBondContact O-CB 3.43Å; K34-A37 PolarHBondContact O-N 3.28Å; K34-A37 VanDerWaalsContact O-N 3.11Å; K34-D38 VanDerWaalsContact O-CG 3.29Å; K34-D38 PolarHBondContact O-N 3.11Å
35	K	93.9	Very high	93.6	Very high	155 Å²	155	72.9 Å²	72.9	67%	0.674	37%	0.37	S	S	*	.	H	α-helix	trans	-58.4	-39.4	174.2	-72.2	-179.8	179.6	-175	0	112.8	G31 L32 A39	G31-K35 WeakPolarHBondContact O-CG 3.5Å; G31-K35 PolarHBondContact O-N 3.18Å; G31-K35 VanDerWaalsContact O-N 3.16Å; L32-K35 PolarHBondContact O-N 2.87Å; K35-A39 PolarHBondContact O-N 2.93Å; K35-A39 VanDerWaalsContact O-N 3.11Å
36	K	93.2	Very high	93.5	Very high	70 Å²	70	75.2 Å²	75.2	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-44.5	174.9	-179	175.2	178.5	167.5	0	111.6	L32 L33 K34 A39 L40 A102	L32-K36 PolarHBondContact O-N 3.41Å; L33-K36 PolarHBondContact O-N 3Å; K34-K36 VanDerWaalsContact C-N 3.3Å; K34-K36 PolarHBondContact O-N 3.35Å; K36-A39 PolarHBondContact O-N 2.8Å; K36-L40 HydrophobicContact CG-CD1 4.11Å; K36-L40 HydrophobicContact CG-CG 4.48Å; K36-L40 WeakPolarHBondContact O-CG 3.4Å; K36-L40 PolarHBondContact O-N 3.06Å; K36-A102 VanDerWaalsContact CE-O 3.26Å; K36-A102 WeakPolarHBondContact CE-O 3.37Å
37	A	91.2	Very high	93.4	Very high	6 Å²	6	75.7 Å²	75.7	5%	0.05	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-44.2	177.9	0	0	0	0	0	111.5	L33 K34 A39 L40 Q41 T165	L33-A37 WeakPolarHBondContact O-CB 3.28Å; L33-A37 PolarHBondContact O-N 3.25Å; K34-A37 WeakPolarHBondContact O-CB 3.43Å; K34-A37 PolarHBondContact O-N 3.28Å; K34-A37 VanDerWaalsContact O-N 3.11Å; A37-A39 PolarHBondContact O-N 3.38Å; A37-L40 PolarHBondContact O-N 2.85Å; A37-Q41 WeakPolarHBondContact O-CB 3.44Å; A37-Q41 PolarHBondContact O-N 3.23Å; A37-T165 HydrophobicContact CB-CG2 4.05Å
38	D	93	Very high	93.4	Very high	85 Å²	85	75.8 Å²	75.8	46%	0.455	37%	0.37	S	S	.	.	H	α-helix	trans	-61.3	-44	177.7	-63.2	-27.6	0	0	0	111.6	K34 Q41 M42	K34-D38 VanDerWaalsContact O-CG 3.29Å; K34-D38 PolarHBondContact O-N 3.11Å; D38-Q41 PolarHBondContact O-N 3.41Å; D38-M42 PolarHBondContact O-N 2.91Å
39	A	92.8	Very high	93.4	Very high	42 Å²	42	70.3 Å²	70.3	35%	0.347	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-42.3	177.1	0	0	0	0	0	112.5	K35 K36 A37 M42 R43	K35-A39 PolarHBondContact O-N 2.93Å; K35-A39 VanDerWaalsContact O-N 3.11Å; K36-A39 PolarHBondContact O-N 2.8Å; A37-A39 PolarHBondContact O-N 3.38Å; A39-M42 PolarHBondContact O-N 3.33Å; A39-R43 PolarHBondContact O-N 3.01Å
40	L	92.8	Very high	93.4	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-41.3	175	-71.3	173.4	0	0	0	111.2	K36 A37 M42 R43 F44 A102 V104 L158 V161 I162	K36-L40 HydrophobicContact CG-CD1 4.11Å; K36-L40 HydrophobicContact CG-CG 4.48Å; K36-L40 WeakPolarHBondContact O-CG 3.4Å; K36-L40 PolarHBondContact O-N 3.06Å; A37-L40 PolarHBondContact O-N 2.85Å; L40-M42 VanDerWaalsContact C-N 3.35Å; L40-M42 PolarHBondContact O-N 3Å; L40-R43 PolarHBondContact O-N 3.49Å; L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.34Å; L40-A102 HydrophobicContact CD2-CB 4.02Å; L40-A102 HydrophobicContact CG-CB 4.4Å; L40-V104 HydrophobicContact CD1-CG2 4.17Å; L40-V104 HydrophobicContact CD2-CB 4.45Å; L40-V104 HydrophobicContact CD2-CG2 3.85Å; L40-L158 HydrophobicContact CD2-CD1 4.3Å; L40-L158 HydrophobicContact CD2-CG 4.46Å; L40-V161 HydrophobicContact CD1-CG1 4.05Å; L40-I162 HydrophobicContact CB-CD1 4.12Å; L40-I162 HydrophobicContact CB-CG1 3.77Å; L40-I162 HydrophobicContact CD1-CG1 4.42Å
41	Q	92.4	Very high	93.4	Very high	80 Å²	80	74.4 Å²	74.4	37%	0.374	37%	0.368	S	S	.	.	H	α-helix	trans	-65.7	-37.1	179	-167.2	-180	4.3	0	0	112.1	A37 D38 F44 R45	A37-Q41 WeakPolarHBondContact O-CB 3.44Å; A37-Q41 PolarHBondContact O-N 3.23Å; D38-Q41 PolarHBondContact O-N 3.41Å; Q41-F44 WeakPolarHBondContact O-CB 3.26Å; Q41-F44 PolarHBondContact O-N 3.45Å; Q41-R45 VanDerWaalsContact NE2-NH2 3.19Å; Q41-R45 WeakPolarHBondContact O-CG 3.46Å; Q41-R45 PolarHBondContact O-N 3.39Å; Q41-R45 VanDerWaalsContact O-N 3.1Å
42	M	92.4	Very high	93.4	Very high	127 Å²	127	77.7 Å²	77.7	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-60.8	-47.3	172.8	-174.8	-175.4	-69.4	0	0	110.9	D38 A39 L40 F44 R45 L46	D38-M42 PolarHBondContact O-N 2.91Å; A39-M42 PolarHBondContact O-N 3.33Å; L40-M42 VanDerWaalsContact C-N 3.35Å; L40-M42 PolarHBondContact O-N 3Å; M42-F44 PolarHBondContact O-N 3.25Å; M42-R45 PolarHBondContact O-N 3.48Å; M42-L46 WeakPolarHBondContact O-CG 3.49Å; M42-L46 PolarHBondContact O-N 3.38Å
43	R	90.4	Very high	93.5	Very high	140 Å²	140	79 Å²	79	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-38.4	177.2	-71.2	-72.9	-177.5	-178.5	2	112.5	A39 L40 R45 L46 I47 V101	A39-R43 PolarHBondContact O-N 3.01Å; L40-R43 PolarHBondContact O-N 3.49Å; R43-R45 VanDerWaalsContact C-N 3.35Å; R43-R45 PolarHBondContact O-N 3.17Å; R43-L46 PolarHBondContact O-N 2.96Å; R43-I47 WeakPolarHBondContact O-CG1 3.34Å; R43-I47 PolarHBondContact O-N 2.61Å; R43-V101 HydrophobicContact CB-CG1 4.21Å; R43-V101 HydrophobicContact CG-CG1 3.7Å
44	F	92.7	Very high	93.5	Very high	37 Å²	37	77.9 Å²	77.9	16%	0.162	38%	0.375	C	S	.	.	H	α-helix	trans	-56.2	-47.4	174.4	-174.8	-104.6	0	0	0	111.9	L40 Q41 M42 L46 I47 L48 F155 L158 D159 I162	L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.34Å; Q41-F44 WeakPolarHBondContact O-CB 3.26Å; Q41-F44 PolarHBondContact O-N 3.45Å; M42-F44 PolarHBondContact O-N 3.25Å; F44-L46 PolarHBondContact O-N 3.41Å; F44-I47 PolarHBondContact O-N 2.89Å; F44-L48 WeakPolarHBondContact O-CB 3.4Å; F44-L48 PolarHBondContact O-N 3.09Å; F44-F155 AromaticContact CD2-CD2 3.97Å; F44-F155 HydrophobicContact CD2-CD2 3.97Å; F44-F155 AromaticContact CD2-CE2 3.83Å; F44-F155 HydrophobicContact CD2-CE2 3.83Å; F44-F155 AromaticContact CE1-CE2 3.92Å; F44-F155 HydrophobicContact CE1-CE2 3.92Å; F44-F155 HydrophobicContact CE1-CZ 4.17Å; F44-F155 HydrophobicContact CE2-CD1 4.42Å; F44-F155 AromaticContact CE2-CD2 3.54Å; F44-F155 HydrophobicContact CE2-CD2 3.54Å; F44-F155 HydrophobicContact CE2-CE1 4.09Å; F44-F155 AromaticContact CE2-CE2 3.13Å; F44-F155 HydrophobicContact CE2-CE2 3.13Å; F44-F155 HydrophobicContact CE2-CG 4.18Å; F44-F155 AromaticContact CE2-CZ 3.44Å; F44-F155 HydrophobicContact CE2-CZ 3.44Å; F44-F155 VanDerWaalsContact CE2-CZ 3.44Å; F44-F155 HydrophobicContact CG-CE2 4.49Å; F44-F155 HydrophobicContact CZ-CD2 4.1Å; F44-F155 HydrophobicContact CZ-CE1 4.14Å; F44-F155 AromaticContact CZ-CE2 3.2Å; F44-F155 HydrophobicContact CZ-CE2 3.2Å; F44-F155 AromaticContact CZ-CZ 3.23Å; F44-F155 HydrophobicContact CZ-CZ 3.23Å; F44-L158 HydrophobicContact CB-CD2 3.49Å; F44-L158 VanDerWaalsContact CB-CD2 3.49Å; F44-L158 HydrophobicContact CD2-CD2 3.55Å; F44-L158 HydrophobicContact CG-CD2 3.97Å; F44-D159 HydrophobicContact CE2-CB 3.96Å; F44-I162 HydrophobicContact CB-CD1 3.85Å; F44-I162 HydrophobicContact CD2-CD1 4.23Å; F44-I162 HydrophobicContact CG-CD1 4.07Å
45	R	93.3	Very high	93.5	Very high	155 Å²	155	78.4 Å²	78.4	59%	0.585	38%	0.378	S	S	*	.	H	α-helix	trans	-63.9	-40.2	177.7	-66.9	-179.9	-155.7	174.1	6.5	112.2	Q41 M42 R43 L48 G49	Q41-R45 VanDerWaalsContact NE2-NH2 3.19Å; Q41-R45 WeakPolarHBondContact O-CG 3.46Å; Q41-R45 PolarHBondContact O-N 3.39Å; Q41-R45 VanDerWaalsContact O-N 3.1Å; M42-R45 PolarHBondContact O-N 3.48Å; R43-R45 VanDerWaalsContact C-N 3.35Å; R43-R45 PolarHBondContact O-N 3.17Å; R45-L48 PolarHBondContact O-N 3.2Å; R45-G49 PolarHBondContact O-N 3.29Å
46	L	93	Very high	93.6	Very high	93 Å²	93	75.3 Å²	75.3	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-42.3	176.4	-68	173.5	0	0	0	111.9	M42 R43 F44 K50	M42-L46 WeakPolarHBondContact O-CG 3.49Å; M42-L46 PolarHBondContact O-N 3.38Å; R43-L46 PolarHBondContact O-N 2.96Å; F44-L46 PolarHBondContact O-N 3.41Å; L46-K50 WeakPolarHBondContact O-CG 3.41Å; L46-K50 PolarHBondContact O-N 2.87Å; L46-K50 VanDerWaalsContact O-N 3.14Å
47	I	92.8	Very high	93.6	Very high	25 Å²	25	75.9 Å²	75.9	13%	0.128	38%	0.378	C	S	.	.	H	α-helix	trans	-66.2	-41.8	176.1	-67.7	169.8	0	0	0	110.4	R43 F44 G49 K50 I51 L151 F155 L158	R43-I47 WeakPolarHBondContact O-CG1 3.34Å; R43-I47 PolarHBondContact O-N 2.61Å; F44-I47 PolarHBondContact O-N 2.89Å; I47-G49 PolarHBondContact O-N 3.13Å; I47-K50 PolarHBondContact O-N 3.41Å; I47-I51 HydrophobicContact CG2-CD1 3.74Å; I47-I51 HydrophobicContact CG2-CG1 4.22Å; I47-I51 VanDerWaalsContact O-CG1 3.32Å; I47-I51 WeakPolarHBondContact O-CG1 3.44Å; I47-I51 PolarHBondContact O-N 3.43Å; I47-L151 HydrophobicContact CG2-CD2 4.46Å; I47-F155 HydrophobicContact CG2-CB 4.16Å; I47-F155 HydrophobicContact CG2-CD2 4.26Å; I47-L158 HydrophobicContact CD1-CD1 4.32Å
48	L	94.3	Very high	93.7	Very high	71 Å²	71	77.5 Å²	77.5	37%	0.372	39%	0.385	S	S	.	.	H	α-helix	trans	-59.3	-45.8	177.3	-178.1	61.9	0	0	0	111.8	F44 R45 K50 I51 I52 F155	F44-L48 WeakPolarHBondContact O-CB 3.4Å; F44-L48 PolarHBondContact O-N 3.09Å; R45-L48 PolarHBondContact O-N 3.2Å; L48-K50 PolarHBondContact O-N 3.11Å; L48-I51 PolarHBondContact O-N 2.97Å; L48-I52 HydrophobicContact CD1-CD1 4.49Å; L48-I52 HydrophobicContact CG-CD1 4.34Å; L48-I52 WeakPolarHBondContact O-CG1 3.49Å; L48-I52 PolarHBondContact O-N 2.87Å; L48-I52 VanDerWaalsContact O-N 3.09Å; L48-F155 HydrophobicContact CB-CE2 4.19Å; L48-F155 HydrophobicContact CD1-CE2 3.95Å; L48-F155 HydrophobicContact CD1-CZ 4.27Å
49	G	95.5	Very high	93.8	Very high	38 Å²	38	75.4 Å²	75.4	39%	0.392	38%	0.383	S	S	.	.	H	α-helix	trans	-57.4	-47.9	174.6	0	0	0	0	0	112.1	R45 I47 I51 I52 E53	R45-G49 PolarHBondContact O-N 3.29Å; I47-G49 PolarHBondContact O-N 3.13Å; G49-I51 VanDerWaalsContact C-N 3.34Å; G49-I51 PolarHBondContact O-N 3.42Å; G49-I52 PolarHBondContact O-N 3.08Å; G49-E53 PolarHBondContact O-N 3.37Å; G49-E53 VanDerWaalsContact O-N 3.11Å
50	K	94.6	Very high	93.9	Very high	122 Å²	122	79.8 Å²	79.8	53%	0.53	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-37.2	176.4	-72.1	-178.7	176.9	-170.4	0	113.1	L46 I47 L48 T54 L151	L46-K50 WeakPolarHBondContact O-CG 3.41Å; L46-K50 PolarHBondContact O-N 2.87Å; L46-K50 VanDerWaalsContact O-N 3.14Å; I47-K50 PolarHBondContact O-N 3.41Å; L48-K50 PolarHBondContact O-N 3.11Å; K50-T54 WeakPolarHBondContact O-CB 3.44Å; K50-T54 PolarHBondContact O-N 3.26Å; K50-T54 PolarHBondContact O-OG1 3.49Å; K50-L151 HydrophobicContact CB-CD1 4.19Å
51	I	95.3	Very high	93.9	Very high	21 Å²	21	81.3 Å²	81.3	11%	0.108	41%	0.405	C	S	.	.	H	α-helix	trans	-64.3	-43.7	177.7	-74.4	170.3	0	0	0	110.4	I47 L48 G49 K55 L148 L151 F155	I47-I51 HydrophobicContact CG2-CD1 3.74Å; I47-I51 HydrophobicContact CG2-CG1 4.22Å; I47-I51 VanDerWaalsContact O-CG1 3.32Å; I47-I51 WeakPolarHBondContact O-CG1 3.44Å; I47-I51 PolarHBondContact O-N 3.43Å; L48-I51 PolarHBondContact O-N 2.97Å; G49-I51 VanDerWaalsContact C-N 3.34Å; G49-I51 PolarHBondContact O-N 3.42Å; I51-K55 WeakPolarHBondContact O-CB 3.43Å; I51-K55 PolarHBondContact O-N 3.02Å; I51-L148 HydrophobicContact CG2-CD1 4.3Å; I51-L151 HydrophobicContact CD1-CB 4.16Å; I51-L151 HydrophobicContact CG1-CB 3.65Å; I51-L151 HydrophobicContact CG1-CD1 4.27Å; I51-F155 HydrophobicContact CD1-CB 3.75Å; I51-F155 HydrophobicContact CD1-CD2 3.96Å; I51-F155 HydrophobicContact CD1-CG 3.95Å
52	I	95.3	Very high	94	Very high	101 Å²	101	80.5 Å²	80.5	52%	0.518	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-50.2	179.7	-65.7	166.9	0	0	0	109.8	L48 G49 K55 T56	L48-I52 HydrophobicContact CD1-CD1 4.49Å; L48-I52 HydrophobicContact CG-CD1 4.34Å; L48-I52 WeakPolarHBondContact O-CG1 3.49Å; L48-I52 PolarHBondContact O-N 2.87Å; L48-I52 VanDerWaalsContact O-N 3.09Å; G49-I52 PolarHBondContact O-N 3.08Å; I52-K55 PolarHBondContact O-N 3.3Å; I52-T56 WeakPolarHBondContact O-CG2 3.49Å; I52-T56 PolarHBondContact O-N 2.97Å; I52-T56 PolarHBondContact O-OG1 2.84Å
53	E	95.2	Very high	94.1	Very high	134 Å²	134	82.4 Å²	82.4	63%	0.626	41%	0.407	S	S	*	.	H	α-helix	trans	-57.3	-53.2	177	-173.4	-178.4	-176.8	0	0	111.5	G49 K55 T56 L57	G49-E53 PolarHBondContact O-N 3.37Å; G49-E53 VanDerWaalsContact O-N 3.11Å; E53-K55 VanDerWaalsContact C-N 3.28Å; E53-K55 PolarHBondContact O-N 3.48Å; E53-T56 PolarHBondContact O-N 3.2Å; E53-T56 VanDerWaalsContact O-N 3.14Å; E53-T56 PolarHBondContact O-OG1 2.63Å; E53-L57 PolarHBondContact O-N 3.46Å
54	T	94.9	Very high	94.3	Very high	20 Å²	20	81 Å²	81	12%	0.123	41%	0.406	C	S	.	.	H	α-helix	trans	-60.2	-37.6	179.6	-52.6	0	0	0	0	111.9	K50 L57 M58 L144 L148	K50-T54 WeakPolarHBondContact O-CB 3.44Å; K50-T54 PolarHBondContact O-N 3.26Å; K50-T54 PolarHBondContact O-OG1 3.49Å; T54-L57 PolarHBondContact O-N 3.47Å; T54-M58 VanDerWaalsContact O-CB 3.25Å; T54-M58 WeakPolarHBondContact O-CB 3.3Å; T54-M58 PolarHBondContact O-N 3.4Å; T54-L144 HydrophobicContact CG2-CD1 3.81Å; T54-L144 HydrophobicContact CG2-CG 4.35Å; T54-L148 HydrophobicContact CG2-CB 4.08Å; T54-L148 HydrophobicContact CG2-CD1 4.08Å
55	K	94.8	Very high	94.3	Very high	125 Å²	125	79.2 Å²	79.2	54%	0.543	40%	0.399	S	S	.	.	H	α-helix	trans	-69.5	-37.5	178.6	-172.7	175.6	-177.6	179.8	0	111.9	I51 I52 E53 M58 G59	I51-K55 WeakPolarHBondContact O-CB 3.43Å; I51-K55 PolarHBondContact O-N 3.02Å; I52-K55 PolarHBondContact O-N 3.3Å; E53-K55 VanDerWaalsContact C-N 3.28Å; E53-K55 PolarHBondContact O-N 3.48Å; K55-M58 HydrophobicContact CG-CE 4.44Å; K55-M58 PolarHBondContact O-N 3.47Å; K55-G59 PolarHBondContact O-N 2.69Å; K55-G59 VanDerWaalsContact O-N 3.08Å
56	T	95.1	Very high	94.3	Very high	89 Å²	89	74.2 Å²	74.2	55%	0.546	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-45	173.7	59	0	0	0	0	111.7	I52 E53 M58 G59 Q60	I52-T56 WeakPolarHBondContact O-CG2 3.49Å; I52-T56 PolarHBondContact O-N 2.97Å; I52-T56 PolarHBondContact O-OG1 2.84Å; E53-T56 PolarHBondContact O-N 3.2Å; E53-T56 VanDerWaalsContact O-N 3.14Å; E53-T56 PolarHBondContact O-OG1 2.63Å; T56-M58 VanDerWaalsContact C-N 3.33Å; T56-M58 PolarHBondContact O-N 3.34Å; T56-G59 PolarHBondContact O-N 2.85Å; T56-Q60 PolarHBondContact O-N 3.28Å
57	L	94.6	Very high	94.3	Very high	82 Å²	82	76.1 Å²	76.1	43%	0.429	40%	0.395	S	S	.	.	H	α-helix	trans	-61.1	-42.4	175	-176.7	64	0	0	0	111.5	E53 T54 G59 Q60 V61 L144	E53-L57 PolarHBondContact O-N 3.46Å; T54-L57 PolarHBondContact O-N 3.47Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 2.99Å; L57-Q60 PolarHBondContact O-N 3.48Å; L57-Q60 VanDerWaalsContact O-N 3.13Å; L57-V61 HydrophobicContact CD1-CG2 4.47Å; L57-V61 HydrophobicContact CG-CG2 4.45Å; L57-V61 WeakPolarHBondContact O-CG2 3.45Å; L57-V61 PolarHBondContact O-N 3.45Å; L57-L144 HydrophobicContact CB-CD2 4.41Å; L57-L144 HydrophobicContact CD2-CD1 4.14Å; L57-L144 HydrophobicContact CD2-CD2 4.19Å; L57-L144 HydrophobicContact CG-CD2 3.94Å
58	M	93.2	Very high	94.2	Very high	41 Å²	41	75 Å²	75	20%	0.202	39%	0.39	C	S	.	.	H	α-helix	trans	-59.8	-40	176.1	-177.2	-154.9	71.6	0	0	111.9	T54 K55 T56 Q60 V61 M62 L144 L145 L148	T54-M58 VanDerWaalsContact O-CB 3.25Å; T54-M58 WeakPolarHBondContact O-CB 3.3Å; T54-M58 PolarHBondContact O-N 3.4Å; K55-M58 HydrophobicContact CG-CE 4.44Å; K55-M58 PolarHBondContact O-N 3.47Å; T56-M58 VanDerWaalsContact C-N 3.33Å; T56-M58 PolarHBondContact O-N 3.34Å; M58-Q60 VanDerWaalsContact C-N 3.3Å; M58-Q60 PolarHBondContact O-N 3Å; M58-V61 PolarHBondContact O-N 3.19Å; M58-M62 HydrophobicContact CG-CG 4.24Å; M58-M62 VanDerWaalsContact O-CB 3.26Å; M58-M62 WeakPolarHBondContact O-CB 3.25Å; M58-M62 WeakPolarHBondContact O-CG 3.21Å; M58-M62 PolarHBondContact O-N 3.14Å; M58-L144 HydrophobicContact CB-CD2 3.96Å; M58-L144 HydrophobicContact CB-CG 4.42Å; M58-L145 HydrophobicContact CG-CD2 4.19Å; M58-L145 HydrophobicContact SD-CD2 3.49Å; M58-L145 WeakPolarHBondContact SD-CD2 3.3Å; M58-L148 HydrophobicContact CE-CD2 4.38Å; M58-L148 HydrophobicContact SD-CD2 3.44Å; M58-L148 WeakPolarHBondContact SD-CD2 3.49Å
59	G	94.2	Very high	94.1	Very high	40 Å²	40	74 Å²	74	41%	0.412	38%	0.384	S	S	.	.	H	α-helix	trans	-59.3	-40.5	175.1	0	0	0	0	0	112.9	K55 T56 L57 K63	K55-G59 PolarHBondContact O-N 2.69Å; K55-G59 VanDerWaalsContact O-N 3.08Å; T56-G59 PolarHBondContact O-N 2.85Å; L57-G59 VanDerWaalsContact C-N 3.3Å; L57-G59 PolarHBondContact O-N 2.99Å; G59-K63 WeakPolarHBondContact O-CB 3.11Å; G59-K63 PolarHBondContact O-N 2.84Å; G59-K63 VanDerWaalsContact O-N 3.11Å
60	Q	94.3	Very high	93.9	Very high	135 Å²	135	74.8 Å²	74.8	63%	0.631	39%	0.387	S	S	*	.	H	α-helix	trans	-68.9	-49	177	-64.7	178.2	-4.9	0	0	111.8	T56 L57 M58 M62 K63 E64	T56-Q60 PolarHBondContact O-N 3.28Å; L57-Q60 PolarHBondContact O-N 3.48Å; L57-Q60 VanDerWaalsContact O-N 3.13Å; M58-Q60 VanDerWaalsContact C-N 3.3Å; M58-Q60 PolarHBondContact O-N 3Å; Q60-M62 VanDerWaalsContact C-N 3.33Å; Q60-M62 PolarHBondContact O-N 3.48Å; Q60-K63 WeakPolarHBondContact O-CB 3.43Å; Q60-K63 PolarHBondContact O-N 3.27Å; Q60-E64 PolarHBondContact O-N 3.33Å
61	V	94.7	Very high	93.6	Very high	31 Å²	31	71.7 Å²	71.7	19%	0.188	38%	0.375	C	S	.	.	H	α-helix	trans	-63	-39	179.9	175.2	0	0	0	0	111.5	L57 M58 E64 A65 A141 L144	L57-V61 HydrophobicContact CD1-CG2 4.47Å; L57-V61 HydrophobicContact CG-CG2 4.45Å; L57-V61 WeakPolarHBondContact O-CG2 3.45Å; L57-V61 PolarHBondContact O-N 3.45Å; M58-V61 PolarHBondContact O-N 3.19Å; V61-E64 PolarHBondContact O-N 2.89Å; V61-A65 WeakPolarHBondContact O-CB 3.42Å; V61-A65 PolarHBondContact O-N 3.06Å; V61-A141 HydrophobicContact CG1-CB 3.89Å; V61-L144 HydrophobicContact CB-CD2 4.3Å; V61-L144 HydrophobicContact CG2-CD2 4.03Å
62	M	93.8	Very high	93.3	Very high	63 Å²	63	70.8 Å²	70.8	31%	0.31	37%	0.37	S	S	.	.	H	α-helix	trans	-68.1	-36.2	176	-78.5	-63.1	-164.6	0	0	112.7	M58 Q60 E64 A65 A66 A141 L145	M58-M62 HydrophobicContact CG-CG 4.24Å; M58-M62 VanDerWaalsContact O-CB 3.26Å; M58-M62 WeakPolarHBondContact O-CB 3.25Å; M58-M62 WeakPolarHBondContact O-CG 3.21Å; M58-M62 PolarHBondContact O-N 3.14Å; Q60-M62 VanDerWaalsContact C-N 3.33Å; Q60-M62 PolarHBondContact O-N 3.48Å; M62-E64 VanDerWaalsContact C-N 3.35Å; M62-A65 PolarHBondContact O-N 3.28Å; M62-A66 VanDerWaalsContact O-CB 3.3Å; M62-A66 WeakPolarHBondContact O-CB 3.48Å; M62-A66 PolarHBondContact O-N 2.85Å; M62-A141 HydrophobicContact CE-CB 4.18Å; M62-A141 HydrophobicContact SD-CB 3.98Å; M62-L145 HydrophobicContact CE-CD1 3.34Å; M62-L145 HydrophobicContact CE-CD2 4.14Å; M62-L145 HydrophobicContact CE-CG 3.8Å
63	K	94.6	Very high	93	Very high	168 Å²	168	70.7 Å²	70.7	73%	0.73	37%	0.366	S	S	*	.	H	α-helix	trans	-62.2	-44	173.7	-175.4	-178	177.6	-176.8	0	111	G59 Q60 A66 F67	G59-K63 WeakPolarHBondContact O-CB 3.11Å; G59-K63 PolarHBondContact O-N 2.84Å; G59-K63 VanDerWaalsContact O-N 3.11Å; Q60-K63 WeakPolarHBondContact O-CB 3.43Å; Q60-K63 PolarHBondContact O-N 3.27Å; K63-A66 PolarHBondContact O-N 3.35Å; K63-F67 PolarHBondContact O-N 3.37Å
64	E	93.9	Very high	92.6	Very high	109 Å²	109	73.4 Å²	73.4	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-64.9	-42.4	176.4	-172.2	-178.7	176	0	0	112.2	Q60 V61 M62 F67 S68	Q60-E64 PolarHBondContact O-N 3.33Å; V61-E64 PolarHBondContact O-N 2.89Å; M62-E64 VanDerWaalsContact C-N 3.35Å; E64-F67 PolarHBondContact O-N 2.94Å; E64-S68 WeakPolarHBondContact O-CB 3.34Å; E64-S68 PolarHBondContact O-N 2.87Å; E64-S68 PolarHBondContact O-OG 3.43Å
65	A	93.1	Very high	92.2	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-40.8	175.5	0	0	0	0	0	112	V61 M62 S68 L69 N137 Y138	V61-A65 WeakPolarHBondContact O-CB 3.42Å; V61-A65 PolarHBondContact O-N 3.06Å; M62-A65 PolarHBondContact O-N 3.28Å; A65-S68 PolarHBondContact O-N 2.87Å; A65-L69 PolarHBondContact O-N 2.71Å; A65-N137 HydrophobicContact CB-CB 4.44Å; A65-Y138 HydrophobicContact CB-CD2 4.06Å; A65-Y138 HydrophobicContact CB-CE1 4.4Å; A65-Y138 HydrophobicContact CB-CE2 3.84Å; A65-Y138 HydrophobicContact CB-CG 4.42Å; A65-Y138 VanDerWaalsContact O-CE2 3.32Å; A65-Y138 WeakPolarHBondContact O-CE2 3.47Å
66	A	93.6	Very high	91.5	Very high	51 Å²	51	71.4 Å²	71.4	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-65.7	-39.8	175.4	0	0	0	0	0	112.4	M62 K63 L69 A70	M62-A66 VanDerWaalsContact O-CB 3.3Å; M62-A66 WeakPolarHBondContact O-CB 3.48Å; M62-A66 PolarHBondContact O-N 2.85Å; K63-A66 PolarHBondContact O-N 3.35Å; A66-L69 WeakPolarHBondContact O-CB 3.34Å; A66-L69 PolarHBondContact O-N 2.83Å; A66-A70 PolarHBondContact O-N 3.43Å; A66-A70 VanDerWaalsContact O-N 3.14Å
67	F	93.6	Very high	90.8	Very high	133 Å²	133	68.8 Å²	68.8	58%	0.583	37%	0.365	S	S	*	.	H	α-helix	trans	-64.4	-43.7	174.8	-170.4	-100	0	0	0	111.6	K63 E64 L69 A70 E71	K63-F67 PolarHBondContact O-N 3.37Å; E64-F67 PolarHBondContact O-N 2.94Å; F67-L69 PolarHBondContact O-N 3.12Å; F67-A70 WeakPolarHBondContact O-CB 3.36Å; F67-A70 PolarHBondContact O-N 3.08Å; F67-E71 HydrophobicContact CD1-CG 4.24Å; F67-E71 HydrophobicContact CE1-CG 4.06Å; F67-E71 WeakPolarHBondContact CE1-OE1 3.46Å; F67-E71 PolarHBondContact O-N 3.23Å
68	S	90.6	Very high	90.2	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.014	38%	0.378	C	S	.	.	H	α-helix	trans	-60.2	-34.6	175.4	-53.8	0	0	0	0	111.9	E64 A65 E71 V72 N137	E64-S68 WeakPolarHBondContact O-CB 3.34Å; E64-S68 PolarHBondContact O-N 2.87Å; E64-S68 PolarHBondContact O-OG 3.43Å; A65-S68 PolarHBondContact O-N 2.87Å; S68-E71 PolarHBondContact O-N 2.84Å; S68-V72 WeakPolarHBondContact O-CG2 3.22Å; S68-V72 PolarHBondContact O-N 2.87Å; S68-V72 VanDerWaalsContact O-N 3.11Å; S68-N137 PolarHBondContact OG-ND2 3.01Å
69	L	90.9	Very high	89.6	Confident	49 Å²	49	70.1 Å²	70.1	26%	0.257	37%	0.373	S	S	.	.	H	α-helix	trans	-68.1	-36.2	176	-174.9	141.5	0	0	0	111.7	A65 A66 F67 V72 K73 L134 Y138	A65-L69 PolarHBondContact O-N 2.71Å; A66-L69 WeakPolarHBondContact O-CB 3.34Å; A66-L69 PolarHBondContact O-N 2.83Å; F67-L69 PolarHBondContact O-N 3.12Å; L69-V72 PolarHBondContact O-N 3.26Å; L69-K73 HydrophobicContact CD2-CD 3.83Å; L69-K73 VanDerWaalsContact CD2-CE 3.47Å; L69-K73 HydrophobicContact CD2-CG 4.39Å; L69-K73 WeakPolarHBondContact O-CG 3.09Å; L69-K73 PolarHBondContact O-N 2.83Å; L69-L134 VanDerWaalsContact CA-CD1 3.46Å; L69-L134 HydrophobicContact CB-CD1 3.75Å; L69-L134 VanDerWaalsContact N-CD1 3.33Å; L69-Y138 HydrophobicContact CB-CE2 4.25Å; L69-Y138 HydrophobicContact CD1-CE2 4.17Å; L69-Y138 WeakPolarHBondContact CD1-OH 3.34Å
70	A	91.4	Very high	89.1	Confident	54 Å²	54	72 Å²	72	45%	0.446	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-42.8	173.6	0	0	0	0	0	112	A66 F67 V72 K73 F74	A66-A70 PolarHBondContact O-N 3.43Å; A66-A70 VanDerWaalsContact O-N 3.14Å; F67-A70 WeakPolarHBondContact O-CB 3.36Å; F67-A70 PolarHBondContact O-N 3.08Å; A70-V72 VanDerWaalsContact C-N 3.28Å; A70-V72 PolarHBondContact O-N 3.4Å; A70-K73 PolarHBondContact O-N 3.11Å; A70-F74 WeakPolarHBondContact O-CB 3.41Å; A70-F74 PolarHBondContact O-N 3.09Å
71	E	89.3	Confident	88.6	Confident	57 Å²	57	71.8 Å²	71.8	27%	0.266	37%	0.373	S	S	.	.	H	α-helix	trans	-55.9	-44	174	-68.6	-179.5	167.4	0	0	111.5	F67 S68 F74 T75 K133	F67-E71 HydrophobicContact CD1-CG 4.24Å; F67-E71 HydrophobicContact CE1-CG 4.06Å; F67-E71 WeakPolarHBondContact CE1-OE1 3.46Å; F67-E71 PolarHBondContact O-N 3.23Å; S68-E71 PolarHBondContact O-N 2.84Å; E71-F74 PolarHBondContact O-N 3.17Å; E71-T75 PolarHBondContact O-N 3.29Å; E71-T75 VanDerWaalsContact O-N 3.1Å; E71-T75 PolarHBondContact O-OG1 3.15Å; E71-K133 IonicContact OE1-NZ 3.76Å; E71-K133 PolarHBondContact OE1-NZ 3.47Å; E71-K133 IonicContact OE2-NZ 2.93Å; E71-K133 PolarHBondContact OE2-NZ 2.65Å
72	V	88.4	Confident	88	Confident	3 Å²	3	74.7 Å²	74.7	2%	0.018	39%	0.386	C	S	.	.	H	α-helix	trans	-68.3	-44.7	-179.6	165.7	0	0	0	0	112.1	S68 L69 A70 F74 T75 T76 I79 Q130 L131 L134	S68-V72 WeakPolarHBondContact O-CG2 3.22Å; S68-V72 PolarHBondContact O-N 2.87Å; S68-V72 VanDerWaalsContact O-N 3.11Å; L69-V72 PolarHBondContact O-N 3.26Å; A70-V72 VanDerWaalsContact C-N 3.28Å; A70-V72 PolarHBondContact O-N 3.4Å; V72-F74 VanDerWaalsContact C-N 3.29Å; V72-F74 PolarHBondContact O-N 3.4Å; V72-T75 PolarHBondContact O-N 2.63Å; V72-T76 PolarHBondContact O-N 3.47Å; V72-I79 HydrophobicContact CB-CD1 4.45Å; V72-I79 HydrophobicContact CG1-CD1 3.04Å; V72-I79 HydrophobicContact CG1-CG1 4.46Å; V72-Q130 HydrophobicContact CG2-CB 3.62Å; V72-Q130 VanDerWaalsContact CG2-O 3.25Å; V72-Q130 WeakPolarHBondContact CG2-O 3.33Å; V72-L131 HydrophobicContact CG1-CD1 4.32Å; V72-L134 HydrophobicContact CB-CD2 4.2Å; V72-L134 HydrophobicContact CG1-CD2 4.03Å; V72-L134 HydrophobicContact CG2-CB 3.86Å; V72-L134 HydrophobicContact CG2-CD2 4.05Å; V72-L134 HydrophobicContact CG2-CG 4.42Å
73	K	88.5	Confident	87.6	Confident	98 Å²	98	74.2 Å²	74.2	43%	0.426	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-39.1	175	-78.5	-178	174.8	176.8	0	112.3	L69 A70 G77	L69-K73 HydrophobicContact CD2-CD 3.83Å; L69-K73 VanDerWaalsContact CD2-CE 3.47Å; L69-K73 HydrophobicContact CD2-CG 4.39Å; L69-K73 WeakPolarHBondContact O-CG 3.09Å; L69-K73 PolarHBondContact O-N 2.83Å; A70-K73 PolarHBondContact O-N 3.11Å; K73-G77 WeakPolarHBondContact O-CA 3.39Å; K73-G77 PolarHBondContact O-N 2.87Å; K73-G77 VanDerWaalsContact O-N 3.1Å
74	F	88	Confident	87.1	Confident	192 Å²	192	72.6 Å²	72.6	84%	0.842	39%	0.386	S	S	*	.	H	α-helix	trans	-66.4	-39.4	177.2	-177.5	-100.4	0	0	0	112.4	A70 E71 V72	A70-F74 WeakPolarHBondContact O-CB 3.41Å; A70-F74 PolarHBondContact O-N 3.09Å; E71-F74 PolarHBondContact O-N 3.17Å; V72-F74 VanDerWaalsContact C-N 3.29Å; V72-F74 PolarHBondContact O-N 3.4Å
75	T	85.9	Confident	86.7	Confident	57 Å²	57	74.8 Å²	74.8	35%	0.35	40%	0.396	S	S	.	.	H	α-helix	trans	-80.8	-43.7	-173.6	-53	0	0	0	0	113.1	E71 V72	E71-T75 PolarHBondContact O-N 3.29Å; E71-T75 VanDerWaalsContact O-N 3.1Å; E71-T75 PolarHBondContact O-OG1 3.15Å; V72-T75 PolarHBondContact O-N 2.63Å
76	T	80.2	Confident	86.2	Confident	46 Å²	46	78.9 Å²	78.9	28%	0.282	42%	0.418	S	S	.	.	H	α-helix	trans	-104.5	-15.6	-170.8	-52	0	0	0	0	112.9	V72 I79 R126	V72-T76 PolarHBondContact O-N 3.47Å; T76-I79 HydrophobicContact CG2-CD1 3.54Å; T76-I79 HydrophobicContact CG2-CG1 3.48Å; T76-I79 VanDerWaalsContact CG2-CG1 3.48Å; T76-R126 WeakPolarHBondContact CG2-O 3.22Å; T76-R126 PolarHBondContact OG1-O 3.33Å
77	G	81	Confident	85.7	Confident	34 Å²	34	81 Å²	81	35%	0.351	43%	0.425	S	S	.	.	S	Bend	trans	81.6	-139	-172.7	0	0	0	0	0	112.6	K73 I79	K73-G77 WeakPolarHBondContact O-CA 3.39Å; K73-G77 PolarHBondContact O-N 2.87Å; K73-G77 VanDerWaalsContact O-N 3.1Å; G77-I79 PolarHBondContact O-N 3.42Å
78	D	80.7	Confident	85.2	Confident	131 Å²	131	80 Å²	80	70%	0.701	43%	0.43	S	S	*	.			trans	-77.4	73.7	-171.6	-76.9	-33	0	0	0	114.3	N80	D78-N80 VanDerWaalsContact C-N 3.29Å; D78-N80 PolarHBondContact O-N 3.1Å
79	I	81.3	Confident	84.9	Confident	20 Å²	20	88 Å²	88	10%	0.103	47%	0.465	C	S	.	.	H	α-helix	trans	-69.7	-24.5	175.9	-70.8	164.4	0	0	0	113	V72 T76 G77 Q81 I82 V83	V72-I79 HydrophobicContact CB-CD1 4.45Å; V72-I79 HydrophobicContact CG1-CD1 3.04Å; V72-I79 HydrophobicContact CG1-CG1 4.46Å; T76-I79 HydrophobicContact CG2-CD1 3.54Å; T76-I79 HydrophobicContact CG2-CG1 3.48Å; T76-I79 VanDerWaalsContact CG2-CG1 3.48Å; G77-I79 PolarHBondContact O-N 3.42Å; I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 2.84Å; I79-I82 PolarHBondContact O-N 3.42Å; I79-I82 VanDerWaalsContact O-N 3.16Å; I79-V83 HydrophobicContact CG2-CG2 3.48Å; I79-V83 VanDerWaalsContact CG2-CG2 3.48Å; I79-V83 PolarHBondContact O-N 3.48Å
80	N	83.6	Confident	84.6	Confident	79 Å²	79	88.6 Å²	88.6	42%	0.422	48%	0.476	S	S	.	.	H	α-helix	trans	-55.7	-43.3	-172	-69.5	-19.1	0	0	0	112.9	D78 L84	D78-N80 VanDerWaalsContact C-N 3.29Å; D78-N80 PolarHBondContact O-N 3.1Å; N80-L84 WeakPolarHBondContact O-CB 3.4Å; N80-L84 VanDerWaalsContact O-CG 3.27Å; N80-L84 WeakPolarHBondContact O-CG 3.38Å; N80-L84 PolarHBondContact O-N 2.98Å
81	Q	83.1	Confident	84.3	Confident	131 Å²	131	88.4 Å²	88.4	61%	0.612	47%	0.466	S	S	*	.	H	α-helix	trans	-65.9	-43.8	-178.7	-66.1	-175.5	-2.6	0	0	111.5	I79 V83 L84 Q85	I79-Q81 VanDerWaalsContact C-N 3.31Å; I79-Q81 PolarHBondContact O-N 2.84Å; Q81-V83 PolarHBondContact O-N 3.1Å; Q81-L84 PolarHBondContact O-N 3.46Å; Q81-Q85 WeakPolarHBondContact O-CB 3.23Å; Q81-Q85 WeakPolarHBondContact O-CG 3.49Å; Q81-Q85 PolarHBondContact O-N 3.07Å
82	I	82.3	Confident	84.3	Confident	92 Å²	92	87.8 Å²	87.8	47%	0.472	46%	0.464	S	S	.	.	H	α-helix	trans	-63	-42.7	179.9	-59.8	173.4	0	0	0	110.6	I79 N86	I79-I82 PolarHBondContact O-N 3.42Å; I79-I82 VanDerWaalsContact O-N 3.16Å; I82-N86 WeakPolarHBondContact O-CB 3.17Å; I82-N86 PolarHBondContact O-N 3.13Å; I82-N86 PolarHBondContact O-ND2 3.25Å
83	V	84.6	Confident	84.4	Confident	53 Å²	53	91 Å²	91	32%	0.321	48%	0.478	S	S	.	.	H	α-helix	trans	-68.3	-44.5	179.8	174.2	0	0	0	0	111	I79 Q81 Q85 N86 V87 Y119	I79-V83 HydrophobicContact CG2-CG2 3.48Å; I79-V83 VanDerWaalsContact CG2-CG2 3.48Å; I79-V83 PolarHBondContact O-N 3.48Å; Q81-V83 PolarHBondContact O-N 3.1Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 2.87Å; V83-N86 PolarHBondContact O-N 2.91Å; V83-V87 VanDerWaalsContact O-CG2 3.28Å; V83-V87 WeakPolarHBondContact O-CG2 3.47Å; V83-Y119 HydrophobicContact CG1-CE1 4.3Å; V83-Y119 PolarHBondContact O-OH 3.31Å
84	L	85.9	Confident	84.6	Confident	134 Å²	134	90.7 Å²	90.7	70%	0.702	48%	0.48	S	S	*	.	H	α-helix	trans	-65.6	-35	-178.5	-72.2	172	0	0	0	113	N80 Q81	N80-L84 WeakPolarHBondContact O-CB 3.4Å; N80-L84 VanDerWaalsContact O-CG 3.27Å; N80-L84 WeakPolarHBondContact O-CG 3.38Å; N80-L84 PolarHBondContact O-N 2.98Å; Q81-L84 PolarHBondContact O-N 3.46Å
85	Q	84.5	Confident	84.9	Confident	154 Å²	154	89 Å²	89	72%	0.72	47%	0.468	S	S	*	.	H	α-helix	trans	-74.4	-28.6	179	-72.2	176.3	-6.4	0	0	113.3	Q81 V83	Q81-Q85 WeakPolarHBondContact O-CB 3.23Å; Q81-Q85 WeakPolarHBondContact O-CG 3.49Å; Q81-Q85 PolarHBondContact O-N 3.07Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 2.87Å
86	N	82.2	Confident	85.2	Confident	87 Å²	87	90.8 Å²	90.8	47%	0.465	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	11.8	-173.4	-71.5	-46.4	0	0	0	114.4	I82 V83 T88 Y119	I82-N86 WeakPolarHBondContact O-CB 3.17Å; I82-N86 PolarHBondContact O-N 3.13Å; I82-N86 PolarHBondContact O-ND2 3.25Å; V83-N86 PolarHBondContact O-N 2.91Å; N86-T88 PolarHBondContact O-N 3.11Å; N86-Y119 HydrophobicContact CB-CE1 4.06Å
87	V	83.6	Confident	85.8	Confident	95 Å²	95	93.8 Å²	93.8	58%	0.576	49%	0.488	S	S	*	.			trans	-76.4	110.7	178.3	-172.6	0	0	0	0	110.5	V83	V83-V87 VanDerWaalsContact O-CG2 3.28Å; V83-V87 WeakPolarHBondContact O-CG2 3.47Å
88	T	83.1	Confident	86.4	Confident	112 Å²	112	100.3 Å²	100.3	69%	0.687	51%	0.507	S	S	*	.			trans	-113.9	-60	176.3	54.4	0	0	0	0	112.7	N86	N86-T88 PolarHBondContact O-N 3.11Å
89	K	84.4	Confident	86.9	Confident	170 Å²	170	97.7 Å²	97.7	74%	0.739	49%	0.493	S	S	*	.	S	Bend	trans	-126.7	142.6	-179.9	-66.5	-178.3	-179.6	176.8	0	110.6	Q91	K89-Q91 PolarHBondContact O-N 2.95Å
90	A	85.3	Confident	87.3	Confident	61 Å²	61	101.8 Å²	101.8	50%	0.504	52%	0.515	S	S	.	.			trans	-72.1	124.7	175	0	0	0	0	0	111	K93	A90-K93 HydrophobicContact CB-CG 4.34Å; A90-K93 WeakPolarHBondContact O-CE 3.46Å
91	Q	85.5	Confident	87.4	Confident	50 Å²	50	99.2 Å²	99.2	23%	0.234	50%	0.502	C	S	.	.	S	Bend	trans	-73	-37.7	175.7	-170.5	-175.1	8.2	0	0	112.3	K89 T113 D114 K135	K89-Q91 PolarHBondContact O-N 2.95Å; Q91-T113 CarbonylContact O-C 3.46Å; Q91-T113 WeakPolarHBondContact O-CA 3.36Å; Q91-D114 PolarHBondContact O-N 2.9Å; Q91-K135 VanDerWaalsContact OE1-CE 3.24Å
92	I	87.4	Confident	87.4	Confident	44 Å²	44	95.4 Å²	95.4	23%	0.226	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.5	178.3	-60.5	167	0	0	0	107.7	P111 T113 Q139 V142	I92-P111 HydrophobicContact CG2-CB 4.43Å; I92-T113 HydrophobicContact CG1-CG2 4.16Å; I92-Q139 HydrophobicContact CD1-CG 4Å; I92-V142 HydrophobicContact CD1-CG1 4.25Å; I92-V142 HydrophobicContact CG2-CG1 4.3Å
93	K	91.3	Very high	87.5	Confident	71 Å²	71	93.7 Å²	93.7	31%	0.309	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	165.9	177	-64.5	178.4	-173	172	0	108.8	A90 Y112 D114	A90-K93 HydrophobicContact CB-CG 4.34Å; A90-K93 WeakPolarHBondContact O-CE 3.46Å; K93-Y112 VanDerWaalsContact C-CE1 3.43Å; K93-Y112 HydrophobicContact CB-CD1 3.8Å; K93-Y112 HydrophobicContact CB-CD2 4.22Å; K93-Y112 HydrophobicContact CB-CE1 3.16Å; K93-Y112 HydrophobicContact CB-CE2 3.67Å; K93-Y112 HydrophobicContact CB-CG 4.3Å; K93-Y112 WeakPolarHBondContact CB-OH 3.27Å; K93-Y112 HydrophobicContact CD-CE1 4.47Å; K93-Y112 HydrophobicContact CD-CE2 3.81Å; K93-Y112 WeakPolarHBondContact CD-OH 3.49Å; K93-Y112 HydrophobicContact CG-CE1 4.43Å; K93-Y112 HydrophobicContact CG-CE2 4.3Å; K93-Y112 PolarHBondContact N-O 3.36Å; K93-Y112 WeakPolarHBondContact O-CD1 3.36Å; K93-Y112 PolarHBondContact O-N 2.94Å; K93-Y112 VanDerWaalsContact O-O 3.09Å; K93-D114 HydrophobicContact CD-CB 4.09Å; K93-D114 IonicContact NZ-OD2 3.12Å; K93-D114 PolarHBondContact NZ-OD2 3.38Å
94	I	93	Very high	87.7	Confident	92 Å²	92	91.9 Å²	91.9	47%	0.472	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	129.7	-175.1	-58.9	171	0	0	0	109.1	F109 V146	I94-F109 HydrophobicContact CG2-CB 3.68Å; I94-F109 HydrophobicContact CG2-CD1 3.8Å; I94-F109 HydrophobicContact CG2-CG 4.01Å; I94-V146 HydrophobicContact CD1-CG1 4.48Å; I94-V146 HydrophobicContact CD1-CG2 3.82Å; I94-V146 HydrophobicContact CG1-CG1 4.41Å; I94-V146 HydrophobicContact CG1-CG2 4.07Å; I94-V146 HydrophobicContact CG2-CG1 4.45Å
95	R	93.1	Very high	88	Confident	155 Å²	155	89.7 Å²	89.7	59%	0.585	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	142.7	168	-79.5	169.1	-164.7	-159.7	3	109.3	F109 E110 Y112	R95-F109 WeakPolarHBondContact O-CA 3.44Å; R95-E110 PolarHBondContact N-O 3.35Å; R95-E110 PolarHBondContact O-N 3.4Å; R95-Y112 HydrophobicContact CB-CD1 4.23Å; R95-Y112 HydrophobicContact CG-CD1 3.52Å; R95-Y112 HydrophobicContact CG-CE1 3.58Å; R95-Y112 HydrophobicContact CG-CG 4.36Å
96	T	93.5	Very high	88.3	Confident	95 Å²	95	82.6 Å²	82.6	58%	0.583	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.6	173	-54	0	0	0	0	109.1	P107 I108 F109	T96-P107 HydrophobicContact CG2-CB 4.23Å; T96-I108 CarbonylContact C-O 3.59Å; T96-I108 WeakPolarHBondContact CA-O 3.42Å; T96-F109 HydrophobicContact CG2-CD1 4.46Å; T96-F109 HydrophobicContact CG2-CE1 4.22Å
97	K	92.7	Very high	88.8	Confident	109 Å²	109	80 Å²	80	47%	0.474	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.8	171.8	-173.6	172.8	-179.4	178.2	0	108.9	I108 E110	K97-I108 HydrophobicContact CB-CB 4.47Å; K97-I108 PolarHBondContact N-O 2.95Å; K97-I108 PolarHBondContact O-N 3.35Å; K97-E110 WeakPolarHBondContact CD-OE1 3.44Å; K97-E110 IonicContact NZ-OE1 3.94Å; K97-E110 PolarHBondContact NZ-OE1 2.93Å
98	K	92.5	Very high	89.3	Confident	172 Å²	172	77.7 Å²	77.7	75%	0.748	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.9	174.7	-67.7	179	-179.5	-179.8	0	108.2	T105	K98-T105 HydrophobicContact CB-CG2 3.77Å; K98-T105 HydrophobicContact CD-CG2 4.01Å; K98-T105 HydrophobicContact CG-CG2 3.98Å
99	D	91.8	Very high	89.8	Confident	76 Å²	76	74.8 Å²	74.8	41%	0.406	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.5	171.5	-172.3	21.9	0	0	0	109.6	T105 L106 I108	D99-T105 CarbonylContact O-C 3.49Å; D99-T105 WeakPolarHBondContact O-CA 3.32Å; D99-L106 PolarHBondContact N-O 3Å; D99-L106 PolarHBondContact O-N 3.46Å; D99-I108 HydrophobicContact CB-CD1 3.32Å; D99-I108 HydrophobicContact CB-CG1 3.84Å
100	N	90.4	Very high	90.1	Very high	106 Å²	106	70.7 Å²	70.7	57%	0.567	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	115	-175.3	-175.8	10.9	0	0	0	110.4	G103 V104	N100-G103 VanDerWaalsContact OD1-CA 3.23Å; N100-G103 WeakPolarHBondContact OD1-CA 3.45Å; N100-G103 PolarHBondContact OD1-N 3.48Å; N100-V104 PolarHBondContact OD1-N 3.32Å; N100-V104 PolarHBondContact OD1-O 3.22Å
101	V	85.4	Confident	90.4	Very high	24 Å²	24	70.4 Å²	70.4	15%	0.145	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.6	179.4	-177.6	0	0	0	0	109	R43 G103 V104 L106	R43-V101 HydrophobicContact CB-CG1 4.21Å; R43-V101 HydrophobicContact CG-CG1 3.7Å; V101-G103 PolarHBondContact O-N 2.9Å; V101-G103 VanDerWaalsContact O-N 3.15Å; V101-V104 PolarHBondContact N-O 2.9Å; V101-V104 WeakPolarHBondContact O-CB 3.47Å; V101-V104 PolarHBondContact O-N 2.84Å; V101-L106 HydrophobicContact CB-CD1 4.06Å; V101-L106 HydrophobicContact CG2-CD1 3.72Å
102	A	82.2	Confident	90.5	Very high	52 Å²	52	71 Å²	71	43%	0.43	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	34.1	179.4	0	0	0	0	0	114.5	K36 L40	K36-A102 VanDerWaalsContact CE-O 3.26Å; K36-A102 WeakPolarHBondContact CE-O 3.37Å; L40-A102 HydrophobicContact CD2-CB 4.02Å; L40-A102 HydrophobicContact CG-CB 4.4Å
103	G	85.6	Confident	90.4	Very high	55 Å²	55	72.9 Å²	72.9	57%	0.567	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	22.9	-177.7	0	0	0	0	0	113.8	N100 V101	N100-G103 VanDerWaalsContact OD1-CA 3.23Å; N100-G103 WeakPolarHBondContact OD1-CA 3.45Å; N100-G103 PolarHBondContact OD1-N 3.48Å; V101-G103 PolarHBondContact O-N 2.9Å; V101-G103 VanDerWaalsContact O-N 3.15Å
104	V	89.5	Confident	89.8	Confident	15 Å²	15	73.1 Å²	73.1	9%	0.091	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.4	170.6	-176.6	0	0	0	0	108.2	L40 N100 V101 L106 V161	L40-V104 HydrophobicContact CD1-CG2 4.17Å; L40-V104 HydrophobicContact CD2-CB 4.45Å; L40-V104 HydrophobicContact CD2-CG2 3.85Å; N100-V104 PolarHBondContact OD1-N 3.32Å; N100-V104 PolarHBondContact OD1-O 3.22Å; V101-V104 PolarHBondContact N-O 2.9Å; V101-V104 WeakPolarHBondContact O-CB 3.47Å; V101-V104 PolarHBondContact O-N 2.84Å; V104-L106 HydrophobicContact CG1-CD2 4.04Å; V104-L106 PolarHBondContact O-N 3.14Å; V104-V161 HydrophobicContact CG1-CB 4.32Å; V104-V161 HydrophobicContact CG1-CG1 4.22Å; V104-V161 HydrophobicContact CG1-CG2 3.91Å; V104-V161 HydrophobicContact CG2-CB 4.48Å; V104-V161 HydrophobicContact CG2-CG1 3.55Å
105	T	91.7	Very high	88.7	Confident	89 Å²	89	71.4 Å²	71.4	55%	0.546	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	109.8	178.7	-50.9	0	0	0	0	109.9	K98 D99	K98-T105 HydrophobicContact CB-CG2 3.77Å; K98-T105 HydrophobicContact CD-CG2 4.01Å; K98-T105 HydrophobicContact CG-CG2 3.98Å; D99-T105 CarbonylContact O-C 3.49Å; D99-T105 WeakPolarHBondContact O-CA 3.32Å
106	L	90.9	Very high	87.6	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.026	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.6	177.1	-57.3	177.8	0	0	0	110.3	D99 V101 V104 L158	D99-L106 PolarHBondContact N-O 3Å; D99-L106 PolarHBondContact O-N 3.46Å; V101-L106 HydrophobicContact CB-CD1 4.06Å; V101-L106 HydrophobicContact CG2-CD1 3.72Å; V104-L106 HydrophobicContact CG1-CD2 4.04Å; V104-L106 PolarHBondContact O-N 3.14Å; L106-L158 HydrophobicContact CD1-CD1 4.07Å; L106-L158 HydrophobicContact CD2-CB 4.18Å; L106-L158 HydrophobicContact CD2-CD1 4.33Å
107	P	91.9	Very high	86.5	Confident	33 Å²	33	67.5 Å²	67.5	21%	0.214	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.7	171.6	31.8	-32.9	0	0	0	110.5	T96 T153 S154	T96-P107 HydrophobicContact CG2-CB 4.23Å; P107-T153 HydrophobicContact CG-CG2 3.65Å; P107-S154 PolarHBondContact O-OG 2.92Å
108	I	93.2	Very high	85.4	Confident	46 Å²	46	65.5 Å²	65.5	24%	0.236	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	139.3	174.1	-62.2	-169.4	0	0	0	109.3	T96 K97 D99 S150	T96-I108 CarbonylContact C-O 3.59Å; T96-I108 WeakPolarHBondContact CA-O 3.42Å; K97-I108 HydrophobicContact CB-CB 4.47Å; K97-I108 PolarHBondContact N-O 2.95Å; K97-I108 PolarHBondContact O-N 3.35Å; D99-I108 HydrophobicContact CB-CD1 3.32Å; D99-I108 HydrophobicContact CB-CG1 3.84Å; I108-S150 VanDerWaalsContact CA-OG 3.28Å; I108-S150 WeakPolarHBondContact CA-OG 3.49Å; I108-S150 WeakPolarHBondContact CG2-OG 3.45Å
109	F	94.4	Very high	84.4	Confident	50 Å²	50	60.1 Å²	60.1	22%	0.219	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.4	177.2	-60.3	-57.9	0	0	0	111	I94 R95 T96 V146 A149 S150 T153	I94-F109 HydrophobicContact CG2-CB 3.68Å; I94-F109 HydrophobicContact CG2-CD1 3.8Å; I94-F109 HydrophobicContact CG2-CG 4.01Å; R95-F109 WeakPolarHBondContact O-CA 3.44Å; T96-F109 HydrophobicContact CG2-CD1 4.46Å; T96-F109 HydrophobicContact CG2-CE1 4.22Å; F109-V146 HydrophobicContact CB-CG1 3.87Å; F109-A149 HydrophobicContact CD2-CB 4.49Å; F109-S150 PolarHBondContact N-OG 2.91Å; F109-S150 VanDerWaalsContact N-OG 3.07Å; F109-T153 HydrophobicContact CE2-CG2 4.39Å
110	E	90.8	Very high	83.3	Confident	85 Å²	85	63.3 Å²	63.3	40%	0.397	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.3	174.4	-71.1	-179.1	174.8	0	0	109.2	R95 K97	R95-E110 PolarHBondContact N-O 3.35Å; R95-E110 PolarHBondContact O-N 3.4Å; K97-E110 WeakPolarHBondContact CD-OE1 3.44Å; K97-E110 IonicContact NZ-OE1 3.94Å; K97-E110 PolarHBondContact NZ-OE1 2.93Å
111	P	91	Very high	82.2	Confident	54 Å²	54	64.6 Å²	64.6	35%	0.351	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.6	175.4	29.6	-31.6	0	0	0	109.7	I92 V146	I92-P111 HydrophobicContact CG2-CB 4.43Å; P111-V146 HydrophobicContact CB-CB 4.48Å; P111-V146 HydrophobicContact CB-CG1 4.2Å; P111-V146 HydrophobicContact CG-CG1 4.31Å
112	Y	88.7	Confident	81.3	Confident	64 Å²	64	64.9 Å²	64.9	25%	0.251	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.5	171.7	75.6	-82.9	0	0	0	110.2	K93 R95 D114	K93-Y112 VanDerWaalsContact C-CE1 3.43Å; K93-Y112 HydrophobicContact CB-CD1 3.8Å; K93-Y112 HydrophobicContact CB-CD2 4.22Å; K93-Y112 HydrophobicContact CB-CE1 3.16Å; K93-Y112 HydrophobicContact CB-CE2 3.67Å; K93-Y112 HydrophobicContact CB-CG 4.3Å; K93-Y112 WeakPolarHBondContact CB-OH 3.27Å; K93-Y112 HydrophobicContact CD-CE1 4.47Å; K93-Y112 HydrophobicContact CD-CE2 3.81Å; K93-Y112 WeakPolarHBondContact CD-OH 3.49Å; K93-Y112 HydrophobicContact CG-CE1 4.43Å; K93-Y112 HydrophobicContact CG-CE2 4.3Å; K93-Y112 PolarHBondContact N-O 3.36Å; K93-Y112 WeakPolarHBondContact O-CD1 3.36Å; K93-Y112 PolarHBondContact O-N 2.94Å; K93-Y112 VanDerWaalsContact O-O 3.09Å; R95-Y112 HydrophobicContact CB-CD1 4.23Å; R95-Y112 HydrophobicContact CG-CD1 3.52Å; R95-Y112 HydrophobicContact CG-CE1 3.58Å; R95-Y112 HydrophobicContact CG-CG 4.36Å; Y112-D114 HydrophobicContact CD2-CB 3.85Å; Y112-D114 HydrophobicContact CE2-CB 3.62Å
113	T	85.8	Confident	80.5	Confident	82 Å²	82	63.6 Å²	63.6	50%	0.503	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.3	173.5	47.1	0	0	0	0	108.5	Q91 I92	Q91-T113 CarbonylContact O-C 3.46Å; Q91-T113 WeakPolarHBondContact O-CA 3.36Å; I92-T113 HydrophobicContact CG1-CG2 4.16Å
114	D	77.7	Confident	79.6	Confident	76 Å²	76	67.6 Å²	67.6	41%	0.406	38%	0.383	S	S	.	.			trans	-121	103	-179.9	-171.5	20.5	0	0	0	108.7	Q91 K93 Y112	Q91-D114 PolarHBondContact O-N 2.9Å; K93-D114 HydrophobicContact CD-CB 4.09Å; K93-D114 IonicContact NZ-OD2 3.12Å; K93-D114 PolarHBondContact NZ-OD2 3.38Å; Y112-D114 HydrophobicContact CD2-CB 3.85Å; Y112-D114 HydrophobicContact CE2-CB 3.62Å
115	G	69.5	Low	78.7	Confident	56 Å²	56	71.6 Å²	71.6	58%	0.577	42%	0.418	S	S	*	.	S	Bend	trans	96.8	176.3	167.4	0	0	0	0	0	117.7
116	V	70.5	Confident	77.7	Confident	120 Å²	120	76.6 Å²	76.6	73%	0.727	43%	0.427	S	S	*	.			trans	-63.3	149.4	-168.6	-174.1	0	0	0	0	112	T118	V116-T118 PolarHBondContact O-N 2.93Å; V116-T118 VanDerWaalsContact O-N 3.11Å
117	D	70.9	Confident	77.1	Confident	49 Å²	49	77 Å²	77	26%	0.262	43%	0.432	S	S	.	.			trans	-67.7	103.6	172.3	-169.2	-8.3	0	0	0	110.9	Y119 E120 K135	D117-Y119 PolarHBondContact O-N 2.93Å; D117-Y119 PolarHBondContact OD1-N 3.22Å; D117-E120 HydrophobicContact CB-CB 4.12Å; D117-E120 PolarHBondContact O-N 3Å; D117-E120 PolarHBondContact OD1-N 3.04Å; D117-K135 IonicContact OD1-NZ 3.67Å; D117-K135 PolarHBondContact OD1-NZ 3.23Å; D117-K135 IonicContact OD2-NZ 2.86Å; D117-K135 PolarHBondContact OD2-NZ 3.02Å
118	T	69.2	Low	76.7	Confident	67 Å²	67	76.8 Å²	76.8	41%	0.411	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-16.8	176.9	53.1	0	0	0	0	113.3	V116	V116-T118 PolarHBondContact O-N 2.93Å; V116-T118 VanDerWaalsContact O-N 3.11Å
119	Y	71.2	Confident	76.3	Confident	58 Å²	58	82.5 Å²	82.5	23%	0.227	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	14.5	-174.2	-60.4	-74.9	0	0	0	113	V83 N86 D117 L121 A122	V83-Y119 HydrophobicContact CG1-CE1 4.3Å; V83-Y119 PolarHBondContact O-OH 3.31Å; N86-Y119 HydrophobicContact CB-CE1 4.06Å; D117-Y119 PolarHBondContact O-N 2.93Å; D117-Y119 PolarHBondContact OD1-N 3.22Å; Y119-L121 PolarHBondContact O-N 3.37Å; Y119-L121 VanDerWaalsContact O-N 3.17Å; Y119-A122 HydrophobicContact CD1-CB 4.27Å; Y119-A122 WeakPolarHBondContact O-CB 3.39Å; Y119-A122 PolarHBondContact O-N 3.25Å
120	E	68.5	Low	75.9	Confident	143 Å²	143	83.1 Å²	83.1	67%	0.668	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.6	179.5	-169.5	170	-175.1	0	0	112.4	D117	D117-E120 HydrophobicContact CB-CB 4.12Å; D117-E120 PolarHBondContact O-N 3Å; D117-E120 PolarHBondContact OD1-N 3.04Å
121	L	66.9	Low	75.7	Confident	134 Å²	134	80.3 Å²	80.3	70%	0.702	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	0.3	179.6	-56.2	175.6	0	0	0	113.6	Y119 G123 L124	Y119-L121 PolarHBondContact O-N 3.37Å; Y119-L121 VanDerWaalsContact O-N 3.17Å; L121-G123 PolarHBondContact O-N 3.07Å; L121-L124 HydrophobicContact CB-CD1 3.93Å; L121-L124 HydrophobicContact CD2-CD1 3.82Å; L121-L124 HydrophobicContact CG-CD1 4.46Å
122	A	66.6	Low	75.6	Confident	30 Å²	30	80.2 Å²	80.2	25%	0.248	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	127.4	179.2	0	0	0	0	0	110.1	Y119 L131	Y119-A122 HydrophobicContact CD1-CB 4.27Å; Y119-A122 WeakPolarHBondContact O-CB 3.39Å; Y119-A122 PolarHBondContact O-N 3.25Å; A122-L131 HydrophobicContact CB-CD2 3.61Å; A122-L131 WeakPolarHBondContact O-CD2 3.29Å
123	G	64.9	Low	75.6	Confident	25 Å²	25	81.4 Å²	81.4	26%	0.258	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	15.9	176.1	0	0	0	0	0	116.2	L121 A125 R126 G128	L121-G123 PolarHBondContact O-N 3.07Å; G123-A125 PolarHBondContact O-N 2.87Å; G123-R126 CarbonylContact O-C 3.59Å; G123-R126 PolarHBondContact O-N 2.77Å; G123-G128 WeakPolarHBondContact O-CA 3.39Å; G123-G128 PolarHBondContact O-N 2.78Å; G123-G128 VanDerWaalsContact O-N 3.1Å
124	L	67.7	Low	75.8	Confident	138 Å²	138	78.6 Å²	78.6	72%	0.723	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.4	174.4	-81.4	163	0	0	0	113.5	L121	L121-L124 HydrophobicContact CB-CD1 3.93Å; L121-L124 HydrophobicContact CD2-CD1 3.82Å; L121-L124 HydrophobicContact CG-CD1 4.46Å
125	A	69.5	Low	76.4	Confident	99 Å²	99	77.4 Å²	77.4	82%	0.818	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-40.3	-178.4	0	0	0	0	0	113.2	G123	G123-A125 PolarHBondContact O-N 2.87Å
126	R	72.1	Confident	77.3	Confident	194 Å²	194	81.4 Å²	81.4	73%	0.732	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.2	125.8	-178.4	-65.9	-171.1	-179.8	179.8	-0.2	111.5	T76 G123	T76-R126 WeakPolarHBondContact CG2-O 3.22Å; T76-R126 PolarHBondContact OG1-O 3.33Å; G123-R126 CarbonylContact O-C 3.59Å; G123-R126 PolarHBondContact O-N 2.77Å
127	G	78.4	Confident	78.4	Confident	14 Å²	14	77.1 Å²	77.1	14%	0.144	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	16	169.4	0	0	0	0	0	116.5	Q129 Q130 L131	G127-Q129 VanDerWaalsContact C-N 3.26Å; G127-Q129 PolarHBondContact O-N 3.33Å; G127-Q130 PolarHBondContact O-N 3.45Å; G127-Q130 VanDerWaalsContact O-N 3.15Å; G127-Q130 PolarHBondContact O-OE1 3.49Å; G127-L131 PolarHBondContact O-N 3.18Å
128	G	83.1	Confident	79.4	Confident	28 Å²	28	78.7 Å²	78.7	29%	0.289	41%	0.413	S	S	.	.	H	α-helix	trans	-57.1	-33.3	179.6	0	0	0	0	0	114.6	G123 L131 A132	G123-G128 WeakPolarHBondContact O-CA 3.39Å; G123-G128 PolarHBondContact O-N 2.78Å; G123-G128 VanDerWaalsContact O-N 3.1Å; G128-L131 PolarHBondContact O-N 3.48Å; G128-A132 WeakPolarHBondContact O-CB 3.26Å; G128-A132 PolarHBondContact O-N 2.93Å
129	Q	85	Confident	80.5	Confident	166 Å²	166	77.6 Å²	77.6	78%	0.776	40%	0.403	S	S	*	.	H	α-helix	trans	-66	-44	175.7	-70.9	-174	-10.7	0	0	112.2	G127 L131 A132 K133	G127-Q129 VanDerWaalsContact C-N 3.26Å; G127-Q129 PolarHBondContact O-N 3.33Å; Q129-L131 VanDerWaalsContact C-N 3.3Å; Q129-L131 PolarHBondContact O-N 3.46Å; Q129-A132 PolarHBondContact O-N 3.1Å; Q129-K133 PolarHBondContact O-N 3.39Å
130	Q	86.2	Confident	81.4	Confident	63 Å²	63	77.8 Å²	77.8	29%	0.294	41%	0.413	S	S	.	.	H	α-helix	trans	-64.8	-38.4	176.2	-67.3	76.5	1.1	0	0	110.2	V72 G127 K133 L134	V72-Q130 HydrophobicContact CG2-CB 3.62Å; V72-Q130 VanDerWaalsContact CG2-O 3.25Å; V72-Q130 WeakPolarHBondContact CG2-O 3.33Å; G127-Q130 PolarHBondContact O-N 3.45Å; G127-Q130 VanDerWaalsContact O-N 3.15Å; G127-Q130 PolarHBondContact O-OE1 3.49Å; Q130-K133 PolarHBondContact O-N 3.2Å; Q130-L134 WeakPolarHBondContact O-CB 3.27Å; Q130-L134 PolarHBondContact O-N 3.23Å
131	L	87	Confident	82.6	Confident	27 Å²	27	71 Å²	71	14%	0.141	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-41.7	175.4	-171.3	67.6	0	0	0	112.3	V72 A122 G127 G128 Q129 K133 L134 K135	V72-L131 HydrophobicContact CG1-CD1 4.32Å; A122-L131 HydrophobicContact CB-CD2 3.61Å; A122-L131 WeakPolarHBondContact O-CD2 3.29Å; G127-L131 PolarHBondContact O-N 3.18Å; G128-L131 PolarHBondContact O-N 3.48Å; Q129-L131 VanDerWaalsContact C-N 3.3Å; Q129-L131 PolarHBondContact O-N 3.46Å; L131-K133 PolarHBondContact O-N 3.24Å; L131-L134 HydrophobicContact CD1-CD2 4.1Å; L131-L134 WeakPolarHBondContact O-CB 3.11Å; L131-L134 PolarHBondContact O-N 3.37Å; L131-K135 WeakPolarHBondContact O-CB 3.42Å; L131-K135 PolarHBondContact O-N 2.84Å
132	A	87.1	Confident	83.9	Confident	51 Å²	51	67.2 Å²	67.2	42%	0.421	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-40.2	175.5	0	0	0	0	0	112	G128 Q129 K135 K136	G128-A132 WeakPolarHBondContact O-CB 3.26Å; G128-A132 PolarHBondContact O-N 2.93Å; Q129-A132 PolarHBondContact O-N 3.1Å; A132-K135 PolarHBondContact O-N 2.81Å; A132-K136 WeakPolarHBondContact O-CG 3.42Å; A132-K136 PolarHBondContact O-N 2.96Å; A132-K136 VanDerWaalsContact O-N 3.09Å
133	K	89.4	Confident	85.1	Confident	89 Å²	89	71.2 Å²	71.2	39%	0.387	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-47	173.4	-177	-174.6	171	-161.8	0	111.2	E71 Q129 Q130 L131 K135 K136 N137	E71-K133 IonicContact OE1-NZ 3.76Å; E71-K133 PolarHBondContact OE1-NZ 3.47Å; E71-K133 IonicContact OE2-NZ 2.93Å; E71-K133 PolarHBondContact OE2-NZ 2.65Å; Q129-K133 PolarHBondContact O-N 3.39Å; Q130-K133 PolarHBondContact O-N 3.2Å; L131-K133 PolarHBondContact O-N 3.24Å; K133-K135 VanDerWaalsContact C-N 3.31Å; K133-K135 PolarHBondContact O-N 3.32Å; K133-K136 PolarHBondContact O-N 2.93Å; K133-N137 PolarHBondContact O-N 3.25Å
134	L	90.8	Very high	86.4	Confident	23 Å²	23	70.9 Å²	70.9	12%	0.12	37%	0.365	C	S	.	.	H	α-helix	trans	-54.9	-47.8	174.9	179.5	71.9	0	0	0	111.4	L69 V72 Q130 L131 K136 N137 Y138	L69-L134 VanDerWaalsContact CA-CD1 3.46Å; L69-L134 HydrophobicContact CB-CD1 3.75Å; L69-L134 VanDerWaalsContact N-CD1 3.33Å; V72-L134 HydrophobicContact CB-CD2 4.2Å; V72-L134 HydrophobicContact CG1-CD2 4.03Å; V72-L134 HydrophobicContact CG2-CB 3.86Å; V72-L134 HydrophobicContact CG2-CD2 4.05Å; V72-L134 HydrophobicContact CG2-CG 4.42Å; Q130-L134 WeakPolarHBondContact O-CB 3.27Å; Q130-L134 PolarHBondContact O-N 3.23Å; L131-L134 HydrophobicContact CD1-CD2 4.1Å; L131-L134 WeakPolarHBondContact O-CB 3.11Å; L131-L134 PolarHBondContact O-N 3.37Å; L134-K136 PolarHBondContact O-N 2.85Å; L134-N137 PolarHBondContact O-N 3.14Å; L134-Y138 HydrophobicContact CD1-CD2 3.53Å; L134-Y138 HydrophobicContact CD1-CE2 3.38Å; L134-Y138 HydrophobicContact CG-CD2 3.92Å; L134-Y138 HydrophobicContact CG-CE2 4.19Å; L134-Y138 WeakPolarHBondContact O-CD2 3.28Å; L134-Y138 PolarHBondContact O-N 3.39Å
135	K	89	Confident	87.7	Confident	52 Å²	52	67.5 Å²	67.5	23%	0.226	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-46.4	179.6	-175	177	-179.9	178.3	0	111.8	Q91 D117 L131 A132 K133 N137 Y138 Q139	Q91-K135 VanDerWaalsContact OE1-CE 3.24Å; D117-K135 IonicContact OD1-NZ 3.67Å; D117-K135 PolarHBondContact OD1-NZ 3.23Å; D117-K135 IonicContact OD2-NZ 2.86Å; D117-K135 PolarHBondContact OD2-NZ 3.02Å; L131-K135 WeakPolarHBondContact O-CB 3.42Å; L131-K135 PolarHBondContact O-N 2.84Å; A132-K135 PolarHBondContact O-N 2.81Å; K133-K135 VanDerWaalsContact C-N 3.31Å; K133-K135 PolarHBondContact O-N 3.32Å; K135-N137 VanDerWaalsContact C-N 3.34Å; K135-N137 PolarHBondContact O-N 3.46Å; K135-Y138 PolarHBondContact O-N 3.47Å; K135-Q139 WeakPolarHBondContact O-CB 3.07Å; K135-Q139 PolarHBondContact O-N 2.74Å
136	K	90.1	Very high	88.9	Confident	140 Å²	140	63.2 Å²	63.2	61%	0.609	31%	0.311	S	S	*	.	H	α-helix	trans	-60.6	-42.9	176.7	-72.2	177.9	-179.5	179.1	0	111.8	A132 K133 L134 Q139 S140	A132-K136 WeakPolarHBondContact O-CG 3.42Å; A132-K136 PolarHBondContact O-N 2.96Å; A132-K136 VanDerWaalsContact O-N 3.09Å; K133-K136 PolarHBondContact O-N 2.93Å; L134-K136 PolarHBondContact O-N 2.85Å; K136-Q139 PolarHBondContact O-N 3.11Å; K136-S140 PolarHBondContact O-N 2.9Å; K136-S140 PolarHBondContact O-OG 2.94Å
137	N	93	Very high	89.8	Confident	29 Å²	29	59.1 Å²	59.1	16%	0.155	30%	0.3	C	S	.	.	H	α-helix	trans	-67	-44.6	-179.4	-72.4	-2.9	0	0	0	112	A65 S68 K133 L134 K135 S140 A141	A65-N137 HydrophobicContact CB-CB 4.44Å; S68-N137 PolarHBondContact OG-ND2 3.01Å; K133-N137 PolarHBondContact O-N 3.25Å; L134-N137 PolarHBondContact O-N 3.14Å; K135-N137 VanDerWaalsContact C-N 3.34Å; K135-N137 PolarHBondContact O-N 3.46Å; N137-S140 PolarHBondContact O-N 3.46Å; N137-A141 WeakPolarHBondContact O-CB 3.37Å; N137-A141 PolarHBondContact O-N 2.74Å
138	Y	92.6	Very high	90.6	Very high	82 Å²	82	58.8 Å²	58.8	32%	0.322	30%	0.295	S	S	.	.	H	α-helix	trans	-68.1	-34	173.9	-88	-86.4	0	0	0	112.9	A65 L69 L134 K135 S140 A141 V142	A65-Y138 HydrophobicContact CB-CD2 4.06Å; A65-Y138 HydrophobicContact CB-CE1 4.4Å; A65-Y138 HydrophobicContact CB-CE2 3.84Å; A65-Y138 HydrophobicContact CB-CG 4.42Å; A65-Y138 VanDerWaalsContact O-CE2 3.32Å; A65-Y138 WeakPolarHBondContact O-CE2 3.47Å; L69-Y138 HydrophobicContact CB-CE2 4.25Å; L69-Y138 HydrophobicContact CD1-CE2 4.17Å; L69-Y138 WeakPolarHBondContact CD1-OH 3.34Å; L134-Y138 HydrophobicContact CD1-CD2 3.53Å; L134-Y138 HydrophobicContact CD1-CE2 3.38Å; L134-Y138 HydrophobicContact CG-CD2 3.92Å; L134-Y138 HydrophobicContact CG-CE2 4.19Å; L134-Y138 WeakPolarHBondContact O-CD2 3.28Å; L134-Y138 PolarHBondContact O-N 3.39Å; K135-Y138 PolarHBondContact O-N 3.47Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 3.48Å; Y138-A141 PolarHBondContact O-N 3.31Å; Y138-V142 VanDerWaalsContact O-CG2 3.3Å; Y138-V142 WeakPolarHBondContact O-CG2 3.42Å; Y138-V142 PolarHBondContact O-N 2.97Å
139	Q	91.2	Very high	91.1	Very high	44 Å²	44	59.1 Å²	59.1	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-62.5	-43.4	175.1	-174.6	170.7	18.7	0	0	111.3	I92 K135 K136 R143	I92-Q139 HydrophobicContact CD1-CG 4Å; K135-Q139 WeakPolarHBondContact O-CB 3.07Å; K135-Q139 PolarHBondContact O-N 2.74Å; K136-Q139 PolarHBondContact O-N 3.11Å; Q139-R143 WeakPolarHBondContact O-CG 3.32Å; Q139-R143 PolarHBondContact O-N 3.49Å; Q139-R143 VanDerWaalsContact O-N 3.08Å
140	S	91.2	Very high	91.5	Very high	62 Å²	62	51.7 Å²	51.7	43%	0.434	26%	0.261	S	S	.	.	H	α-helix	trans	-63.9	-42.5	173.4	-63.9	0	0	0	0	111.8	K136 N137 Y138 R143 L144	K136-S140 PolarHBondContact O-N 2.9Å; K136-S140 PolarHBondContact O-OG 2.94Å; N137-S140 PolarHBondContact O-N 3.46Å; Y138-S140 VanDerWaalsContact C-N 3.34Å; Y138-S140 PolarHBondContact O-N 3.48Å; S140-R143 PolarHBondContact O-N 3.43Å; S140-L144 PolarHBondContact O-N 3.38Å
141	A	93.9	Very high	91.9	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-61.3	-44.6	176.4	0	0	0	0	0	112.6	V61 M62 N137 Y138 L144 L145	V61-A141 HydrophobicContact CG1-CB 3.89Å; M62-A141 HydrophobicContact CE-CB 4.18Å; M62-A141 HydrophobicContact SD-CB 3.98Å; N137-A141 WeakPolarHBondContact O-CB 3.37Å; N137-A141 PolarHBondContact O-N 2.74Å; Y138-A141 PolarHBondContact O-N 3.31Å; A141-L144 PolarHBondContact O-N 2.92Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 3.39Å
142	V	92.8	Very high	92.2	Very high	53 Å²	53	53.4 Å²	53.4	32%	0.321	27%	0.27	S	S	.	.	H	α-helix	trans	-64.5	-41.5	177.7	171	0	0	0	0	111.1	I92 Y138 L144 L145 V146	I92-V142 HydrophobicContact CD1-CG1 4.25Å; I92-V142 HydrophobicContact CG2-CG1 4.3Å; Y138-V142 VanDerWaalsContact O-CG2 3.3Å; Y138-V142 WeakPolarHBondContact O-CG2 3.42Å; Y138-V142 PolarHBondContact O-N 2.97Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.32Å; V142-L145 PolarHBondContact O-N 3.29Å; V142-V146 HydrophobicContact CG1-CG2 4.49Å; V142-V146 WeakPolarHBondContact O-CG2 3.44Å; V142-V146 PolarHBondContact O-N 2.88Å
143	R	92.1	Very high	92.5	Very high	114 Å²	114	53.5 Å²	53.5	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-59.2	-44.1	175	-74.9	174.4	177.7	169.3	-0.2	111.7	Q139 S140 V146 Q147	Q139-R143 WeakPolarHBondContact O-CG 3.32Å; Q139-R143 PolarHBondContact O-N 3.49Å; Q139-R143 VanDerWaalsContact O-N 3.08Å; S140-R143 PolarHBondContact O-N 3.43Å; R143-V146 PolarHBondContact O-N 3.29Å; R143-Q147 WeakPolarHBondContact O-CG 3.49Å; R143-Q147 PolarHBondContact O-N 3.09Å; R143-Q147 VanDerWaalsContact O-N 3.12Å
144	L	93.1	Very high	92.7	Very high	18 Å²	18	49.6 Å²	49.6	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-67.7	-37.8	177.9	-169.1	62.7	0	0	0	112.2	T54 L57 M58 V61 S140 A141 V142 Q147 L148	T54-L144 HydrophobicContact CG2-CD1 3.81Å; T54-L144 HydrophobicContact CG2-CG 4.35Å; L57-L144 HydrophobicContact CB-CD2 4.41Å; L57-L144 HydrophobicContact CD2-CD1 4.14Å; L57-L144 HydrophobicContact CD2-CD2 4.19Å; L57-L144 HydrophobicContact CG-CD2 3.94Å; M58-L144 HydrophobicContact CB-CD2 3.96Å; M58-L144 HydrophobicContact CB-CG 4.42Å; V61-L144 HydrophobicContact CB-CD2 4.3Å; V61-L144 HydrophobicContact CG2-CD2 4.03Å; S140-L144 PolarHBondContact O-N 3.38Å; A141-L144 PolarHBondContact O-N 2.92Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.32Å; L144-Q147 PolarHBondContact O-N 2.96Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 PolarHBondContact O-N 3.11Å
145	L	94.2	Very high	92.8	Very high	67 Å²	67	50.9 Å²	50.9	35%	0.351	25%	0.253	S	S	.	.	H	α-helix	trans	-62	-41.9	173.2	-80.4	176.5	0	0	0	112.3	M58 M62 A141 V142 Q147 L148 A149	M58-L145 HydrophobicContact CG-CD2 4.19Å; M58-L145 HydrophobicContact SD-CD2 3.49Å; M58-L145 WeakPolarHBondContact SD-CD2 3.3Å; M62-L145 HydrophobicContact CE-CD1 3.34Å; M62-L145 HydrophobicContact CE-CD2 4.14Å; M62-L145 HydrophobicContact CE-CG 3.8Å; A141-L145 WeakPolarHBondContact O-CG 3.42Å; A141-L145 PolarHBondContact O-N 3.39Å; V142-L145 PolarHBondContact O-N 3.29Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; L145-L148 PolarHBondContact O-N 2.99Å; L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.45Å
146	V	94.1	Very high	93	Very high	10 Å²	10	52.5 Å²	52.5	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-41.3	176.9	174	0	0	0	0	110.7	I94 F109 P111 V142 R143 A149 S150	I94-V146 HydrophobicContact CD1-CG1 4.48Å; I94-V146 HydrophobicContact CD1-CG2 3.82Å; I94-V146 HydrophobicContact CG1-CG1 4.41Å; I94-V146 HydrophobicContact CG1-CG2 4.07Å; I94-V146 HydrophobicContact CG2-CG1 4.45Å; F109-V146 HydrophobicContact CB-CG1 3.87Å; P111-V146 HydrophobicContact CB-CB 4.48Å; P111-V146 HydrophobicContact CB-CG1 4.2Å; P111-V146 HydrophobicContact CG-CG1 4.31Å; V142-V146 HydrophobicContact CG1-CG2 4.49Å; V142-V146 WeakPolarHBondContact O-CG2 3.44Å; V142-V146 PolarHBondContact O-N 2.88Å; R143-V146 PolarHBondContact O-N 3.29Å; V146-A149 PolarHBondContact O-N 2.95Å; V146-S150 WeakPolarHBondContact O-CB 3.37Å; V146-S150 PolarHBondContact O-N 3.04Å
147	Q	92	Very high	93.1	Very high	107 Å²	107	48 Å²	48	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-62.1	-45.3	173.8	-70.7	177.4	-2.5	0	0	111.8	R143 L144 L145 S150 L151	R143-Q147 WeakPolarHBondContact O-CG 3.49Å; R143-Q147 PolarHBondContact O-N 3.09Å; R143-Q147 VanDerWaalsContact O-N 3.12Å; L144-Q147 PolarHBondContact O-N 2.96Å; L145-Q147 VanDerWaalsContact C-N 3.33Å; Q147-S150 WeakPolarHBondContact O-CB 3.5Å; Q147-S150 PolarHBondContact O-N 3.01Å; Q147-L151 WeakPolarHBondContact O-CG 3.48Å; Q147-L151 PolarHBondContact O-N 3.15Å
148	L	94.7	Very high	93.1	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-44.2	177.2	-177.1	63.1	0	0	0	111.7	I51 T54 M58 L144 L145 S150 L151 Q152	I51-L148 HydrophobicContact CG2-CD1 4.3Å; T54-L148 HydrophobicContact CG2-CB 4.08Å; T54-L148 HydrophobicContact CG2-CD1 4.08Å; M58-L148 HydrophobicContact CE-CD2 4.38Å; M58-L148 HydrophobicContact SD-CD2 3.44Å; M58-L148 WeakPolarHBondContact SD-CD2 3.49Å; L144-L148 WeakPolarHBondContact O-CB 3.37Å; L144-L148 PolarHBondContact O-N 3.11Å; L145-L148 PolarHBondContact O-N 2.99Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.45Å; L148-L151 PolarHBondContact O-N 3.38Å; L148-Q152 HydrophobicContact CD1-CG 4.43Å; L148-Q152 HydrophobicContact CG-CG 4.41Å; L148-Q152 WeakPolarHBondContact O-CB 3.35Å; L148-Q152 WeakPolarHBondContact O-CG 3.33Å; L148-Q152 PolarHBondContact O-N 3.11Å
149	A	94.6	Very high	93.1	Very high	34 Å²	34	44.8 Å²	44.8	28%	0.281	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-40.1	176.1	0	0	0	0	0	111.4	F109 L145 V146 L151 Q152 T153	F109-A149 HydrophobicContact CD2-CB 4.49Å; L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.45Å; V146-A149 PolarHBondContact O-N 2.95Å; A149-L151 VanDerWaalsContact C-N 3.35Å; A149-L151 PolarHBondContact O-N 3.21Å; A149-Q152 PolarHBondContact O-N 3.01Å; A149-T153 PolarHBondContact O-N 3.3Å; A149-T153 PolarHBondContact O-OG1 3.16Å; A149-T153 VanDerWaalsContact O-OG1 3.11Å
150	S	93.4	Very high	93.3	Very high	11 Å²	11	46.8 Å²	46.8	8%	0.077	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-44.1	174.9	-170.8	0	0	0	0	112.1	I108 F109 V146 Q147 L148 S154	I108-S150 VanDerWaalsContact CA-OG 3.28Å; I108-S150 WeakPolarHBondContact CA-OG 3.49Å; I108-S150 WeakPolarHBondContact CG2-OG 3.45Å; F109-S150 PolarHBondContact N-OG 2.91Å; F109-S150 VanDerWaalsContact N-OG 3.07Å; V146-S150 WeakPolarHBondContact O-CB 3.37Å; V146-S150 PolarHBondContact O-N 3.04Å; Q147-S150 WeakPolarHBondContact O-CB 3.5Å; Q147-S150 PolarHBondContact O-N 3.01Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.45Å; S150-S154 VanDerWaalsContact O-CB 3.27Å; S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.36Å; S150-S154 VanDerWaalsContact O-N 3.1Å; S150-S154 PolarHBondContact O-OG 3.39Å
151	L	93.4	Very high	93.3	Very high	38 Å²	38	45.8 Å²	45.8	20%	0.199	24%	0.244	C	C	.	.	H	α-helix	trans	-66.8	-41.8	176.9	-66.8	173.7	0	0	0	111.5	I47 K50 I51 Q147 L148 A149 S154 F155	I47-L151 HydrophobicContact CG2-CD2 4.46Å; K50-L151 HydrophobicContact CB-CD1 4.19Å; I51-L151 HydrophobicContact CD1-CB 4.16Å; I51-L151 HydrophobicContact CG1-CB 3.65Å; I51-L151 HydrophobicContact CG1-CD1 4.27Å; Q147-L151 WeakPolarHBondContact O-CG 3.48Å; Q147-L151 PolarHBondContact O-N 3.15Å; L148-L151 PolarHBondContact O-N 3.38Å; A149-L151 VanDerWaalsContact C-N 3.35Å; A149-L151 PolarHBondContact O-N 3.21Å; L151-S154 PolarHBondContact O-N 2.94Å; L151-F155 VanDerWaalsContact O-CB 3.23Å; L151-F155 WeakPolarHBondContact O-CB 3.47Å; L151-F155 PolarHBondContact O-N 2.93Å
152	Q	94.4	Very high	93.3	Very high	88 Å²	88	46.5 Å²	46.5	41%	0.411	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-46.4	179.7	-74.9	177.9	-24.6	0	0	112.4	L148 A149 S154 F155 V156	L148-Q152 HydrophobicContact CD1-CG 4.43Å; L148-Q152 HydrophobicContact CG-CG 4.41Å; L148-Q152 WeakPolarHBondContact O-CB 3.35Å; L148-Q152 WeakPolarHBondContact O-CG 3.33Å; L148-Q152 PolarHBondContact O-N 3.11Å; A149-Q152 PolarHBondContact O-N 3.01Å; Q152-S154 VanDerWaalsContact C-N 3.34Å; Q152-S154 PolarHBondContact O-N 2.95Å; Q152-F155 WeakPolarHBondContact O-CB 3.06Å; Q152-F155 PolarHBondContact O-N 3.46Å; Q152-F155 VanDerWaalsContact O-N 3.13Å; Q152-V156 WeakPolarHBondContact O-CG2 3.24Å; Q152-V156 PolarHBondContact O-N 3.4Å
153	T	93.8	Very high	93.4	Very high	52 Å²	52	48.9 Å²	48.9	32%	0.319	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-40.4	177.3	-56.5	0	0	0	0	111.2	P107 F109 A149 F155 T157	P107-T153 HydrophobicContact CG-CG2 3.65Å; F109-T153 HydrophobicContact CE2-CG2 4.39Å; A149-T153 PolarHBondContact O-N 3.3Å; A149-T153 PolarHBondContact O-OG1 3.16Å; A149-T153 VanDerWaalsContact O-OG1 3.11Å; T153-F155 VanDerWaalsContact C-N 3.27Å; T153-F155 PolarHBondContact O-N 3.09Å; T153-T157 WeakPolarHBondContact O-CG2 3.24Å; T153-T157 PolarHBondContact O-N 3.37Å; T153-T157 VanDerWaalsContact O-N 3.1Å; T153-T157 PolarHBondContact O-OG1 3.27Å
154	S	91.8	Very high	93.5	Very high	7 Å²	7	45.8 Å²	45.8	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-61.9	-36.6	172.5	-65.7	0	0	0	0	111.9	P107 S150 L151 Q152 T157 L158	P107-S154 PolarHBondContact O-OG 2.92Å; S150-S154 VanDerWaalsContact O-CB 3.27Å; S150-S154 WeakPolarHBondContact O-CB 3.39Å; S150-S154 PolarHBondContact O-N 3.36Å; S150-S154 VanDerWaalsContact O-N 3.1Å; S150-S154 PolarHBondContact O-OG 3.39Å; L151-S154 PolarHBondContact O-N 2.94Å; Q152-S154 VanDerWaalsContact C-N 3.34Å; Q152-S154 PolarHBondContact O-N 2.95Å; S154-T157 WeakPolarHBondContact CA-OG1 3.31Å; S154-T157 PolarHBondContact O-OG1 3Å; S154-L158 WeakPolarHBondContact O-CB 3.42Å; S154-L158 PolarHBondContact O-N 3.23Å
155	F	93	Very high	93.6	Very high	50 Å²	50	45.3 Å²	45.3	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-67.6	-47.8	179.3	178.3	-90.6	0	0	0	112.3	F44 I47 L48 I51 L151 Q152 T153 L158 D159	F44-F155 AromaticContact CD2-CD2 3.97Å; F44-F155 HydrophobicContact CD2-CD2 3.97Å; F44-F155 AromaticContact CD2-CE2 3.83Å; F44-F155 HydrophobicContact CD2-CE2 3.83Å; F44-F155 AromaticContact CE1-CE2 3.92Å; F44-F155 HydrophobicContact CE1-CE2 3.92Å; F44-F155 HydrophobicContact CE1-CZ 4.17Å; F44-F155 HydrophobicContact CE2-CD1 4.42Å; F44-F155 AromaticContact CE2-CD2 3.54Å; F44-F155 HydrophobicContact CE2-CD2 3.54Å; F44-F155 HydrophobicContact CE2-CE1 4.09Å; F44-F155 AromaticContact CE2-CE2 3.13Å; F44-F155 HydrophobicContact CE2-CE2 3.13Å; F44-F155 HydrophobicContact CE2-CG 4.18Å; F44-F155 AromaticContact CE2-CZ 3.44Å; F44-F155 HydrophobicContact CE2-CZ 3.44Å; F44-F155 VanDerWaalsContact CE2-CZ 3.44Å; F44-F155 HydrophobicContact CG-CE2 4.49Å; F44-F155 HydrophobicContact CZ-CD2 4.1Å; F44-F155 HydrophobicContact CZ-CE1 4.14Å; F44-F155 AromaticContact CZ-CE2 3.2Å; F44-F155 HydrophobicContact CZ-CE2 3.2Å; F44-F155 AromaticContact CZ-CZ 3.23Å; F44-F155 HydrophobicContact CZ-CZ 3.23Å; I47-F155 HydrophobicContact CG2-CB 4.16Å; I47-F155 HydrophobicContact CG2-CD2 4.26Å; L48-F155 HydrophobicContact CB-CE2 4.19Å; L48-F155 HydrophobicContact CD1-CE2 3.95Å; L48-F155 HydrophobicContact CD1-CZ 4.27Å; I51-F155 HydrophobicContact CD1-CB 3.75Å; I51-F155 HydrophobicContact CD1-CD2 3.96Å; I51-F155 HydrophobicContact CD1-CG 3.95Å; L151-F155 VanDerWaalsContact O-CB 3.23Å; L151-F155 WeakPolarHBondContact O-CB 3.47Å; L151-F155 PolarHBondContact O-N 2.93Å; Q152-F155 WeakPolarHBondContact O-CB 3.06Å; Q152-F155 PolarHBondContact O-N 3.46Å; Q152-F155 VanDerWaalsContact O-N 3.13Å; T153-F155 VanDerWaalsContact C-N 3.27Å; T153-F155 PolarHBondContact O-N 3.09Å; F155-L158 PolarHBondContact O-N 2.97Å; F155-D159 WeakPolarHBondContact O-CB 3.26Å; F155-D159 PolarHBondContact O-N 3.31Å
156	V	93.7	Very high	93.5	Very high	86 Å²	86	45.3 Å²	45.3	52%	0.521	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-46.5	178.9	175.9	0	0	0	0	110.9	Q152 L158 D159 D160	Q152-V156 WeakPolarHBondContact O-CG2 3.24Å; Q152-V156 PolarHBondContact O-N 3.4Å; V156-L158 VanDerWaalsContact C-N 3.33Å; V156-L158 PolarHBondContact O-N 3.16Å; V156-D159 PolarHBondContact O-N 3.41Å; V156-D160 PolarHBondContact O-N 3.02Å; V156-D160 VanDerWaalsContact O-N 3.15Å
157	T	92.4	Very high	93.6	Very high	46 Å²	46	52.9 Å²	52.9	28%	0.282	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-38.9	178.5	51.1	0	0	0	0	112.3	T153 S154 V161	T153-T157 WeakPolarHBondContact O-CG2 3.24Å; T153-T157 PolarHBondContact O-N 3.37Å; T153-T157 VanDerWaalsContact O-N 3.1Å; T153-T157 PolarHBondContact O-OG1 3.27Å; S154-T157 WeakPolarHBondContact CA-OG1 3.31Å; S154-T157 PolarHBondContact O-OG1 3Å; T157-V161 VanDerWaalsContact O-CG2 3.29Å; T157-V161 WeakPolarHBondContact O-CG2 3.4Å; T157-V161 PolarHBondContact O-N 2.94Å
158	L	92.3	Very high	93.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-71.9	-35.9	178.6	-165.3	143.6	0	0	0	112.3	L40 F44 I47 L106 S154 F155 V156 V161 I162	L40-L158 HydrophobicContact CD2-CD1 4.3Å; L40-L158 HydrophobicContact CD2-CG 4.46Å; F44-L158 HydrophobicContact CB-CD2 3.49Å; F44-L158 VanDerWaalsContact CB-CD2 3.49Å; F44-L158 HydrophobicContact CD2-CD2 3.55Å; F44-L158 HydrophobicContact CG-CD2 3.97Å; I47-L158 HydrophobicContact CD1-CD1 4.32Å; L106-L158 HydrophobicContact CD1-CD1 4.07Å; L106-L158 HydrophobicContact CD2-CB 4.18Å; L106-L158 HydrophobicContact CD2-CD1 4.33Å; S154-L158 WeakPolarHBondContact O-CB 3.42Å; S154-L158 PolarHBondContact O-N 3.23Å; F155-L158 PolarHBondContact O-N 2.97Å; V156-L158 VanDerWaalsContact C-N 3.33Å; V156-L158 PolarHBondContact O-N 3.16Å; L158-V161 PolarHBondContact O-N 2.9Å; L158-I162 HydrophobicContact CD2-CD1 3.44Å; L158-I162 VanDerWaalsContact CD2-CD1 3.44Å; L158-I162 HydrophobicContact CD2-CG1 4.1Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.39Å
159	D	93.6	Very high	93.8	Very high	44 Å²	44	55.4 Å²	55.4	24%	0.235	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-47.9	173.6	-176.4	43.7	0	0	0	111.9	F44 F155 V156 V161 I162 K163	F44-D159 HydrophobicContact CE2-CB 3.96Å; F155-D159 WeakPolarHBondContact O-CB 3.26Å; F155-D159 PolarHBondContact O-N 3.31Å; V156-D159 PolarHBondContact O-N 3.41Å; D159-V161 VanDerWaalsContact C-N 3.3Å; D159-V161 PolarHBondContact O-N 2.87Å; D159-I162 PolarHBondContact O-N 3Å; D159-K163 WeakPolarHBondContact O-CG 3.23Å; D159-K163 PolarHBondContact O-N 2.92Å; D159-K163 WeakPolarHBondContact OD1-CE 3.24Å; D159-K163 IonicContact OD1-NZ 3.44Å; D159-K163 WeakPolarHBondContact OD2-CE 3.35Å; D159-K163 IonicContact OD2-NZ 2.61Å; D159-K163 PolarHBondContact OD2-NZ 3.12Å
160	D	93.9	Very high	93.8	Very high	85 Å²	85	57.9 Å²	57.9	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-60.9	-41.1	178	-75.8	-23.3	0	0	0	111.8	V156 K163 V164	V156-D160 PolarHBondContact O-N 3.02Å; V156-D160 VanDerWaalsContact O-N 3.15Å; D160-K163 PolarHBondContact O-N 3.42Å; D160-V164 VanDerWaalsContact O-CG2 3.27Å; D160-V164 WeakPolarHBondContact O-CG2 3.42Å; D160-V164 PolarHBondContact O-N 3.4Å
161	V	93.2	Very high	93.9	Very high	42 Å²	42	59.2 Å²	59.2	26%	0.255	30%	0.299	S	S	.	.	H	α-helix	trans	-69.2	-37.1	178.3	175.2	0	0	0	0	112.1	L40 V104 T157 L158 D159 V164 T165	L40-V161 HydrophobicContact CD1-CG1 4.05Å; V104-V161 HydrophobicContact CG1-CB 4.32Å; V104-V161 HydrophobicContact CG1-CG1 4.22Å; V104-V161 HydrophobicContact CG1-CG2 3.91Å; V104-V161 HydrophobicContact CG2-CB 4.48Å; V104-V161 HydrophobicContact CG2-CG1 3.55Å; T157-V161 VanDerWaalsContact O-CG2 3.29Å; T157-V161 WeakPolarHBondContact O-CG2 3.4Å; T157-V161 PolarHBondContact O-N 2.94Å; L158-V161 PolarHBondContact O-N 2.9Å; D159-V161 VanDerWaalsContact C-N 3.3Å; D159-V161 PolarHBondContact O-N 2.87Å; V161-V164 PolarHBondContact O-N 3.4Å; V161-T165 WeakPolarHBondContact O-CB 3.42Å; V161-T165 PolarHBondContact O-N 3.44Å; V161-T165 PolarHBondContact O-OG1 3.24Å
162	I	93.6	Very high	94	Very high	17 Å²	17	58.5 Å²	58.5	9%	0.087	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-48.6	171.8	-73.1	174.5	0	0	0	110.1	L40 F44 L158 D159 V164 T165 N166	L40-I162 HydrophobicContact CB-CD1 4.12Å; L40-I162 HydrophobicContact CB-CG1 3.77Å; L40-I162 HydrophobicContact CD1-CG1 4.42Å; F44-I162 HydrophobicContact CB-CD1 3.85Å; F44-I162 HydrophobicContact CD2-CD1 4.23Å; F44-I162 HydrophobicContact CG-CD1 4.07Å; L158-I162 HydrophobicContact CD2-CD1 3.44Å; L158-I162 VanDerWaalsContact CD2-CD1 3.44Å; L158-I162 HydrophobicContact CD2-CG1 4.1Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.39Å; D159-I162 PolarHBondContact O-N 3Å; I162-V164 VanDerWaalsContact C-N 3.34Å; I162-V164 PolarHBondContact O-N 2.98Å; I162-T165 PolarHBondContact O-N 2.72Å; I162-T165 VanDerWaalsContact O-N 3.14Å; I162-N166 WeakPolarHBondContact O-CB 3.32Å; I162-N166 PolarHBondContact O-N 3.1Å
163	K	94.4	Very high	94	Very high	102 Å²	102	58.6 Å²	58.6	44%	0.443	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-42.7	178.5	-71.6	173.7	-171	159	0	112.1	D159 D160 R167	D159-K163 WeakPolarHBondContact O-CG 3.23Å; D159-K163 PolarHBondContact O-N 2.92Å; D159-K163 WeakPolarHBondContact OD1-CE 3.24Å; D159-K163 IonicContact OD1-NZ 3.44Å; D159-K163 WeakPolarHBondContact OD2-CE 3.35Å; D159-K163 IonicContact OD2-NZ 2.61Å; D159-K163 PolarHBondContact OD2-NZ 3.12Å; D160-K163 PolarHBondContact O-N 3.42Å; K163-R167 WeakPolarHBondContact O-CB 3.43Å; K163-R167 VanDerWaalsContact O-CG 3.26Å; K163-R167 WeakPolarHBondContact O-CG 3.32Å; K163-R167 PolarHBondContact O-N 3.07Å; K163-R167 PolarHBondContact O-NE 2.99Å
164	V	94.6	Very high	94	Very high	50 Å²	50	62.1 Å²	62.1	30%	0.303	31%	0.308	S	S	.	.	H	α-helix	trans	-64	-42.5	175.4	173.1	0	0	0	0	111	D160 V161 I162 R167 R168	D160-V164 VanDerWaalsContact O-CG2 3.27Å; D160-V164 WeakPolarHBondContact O-CG2 3.42Å; D160-V164 PolarHBondContact O-N 3.4Å; V161-V164 PolarHBondContact O-N 3.4Å; I162-V164 VanDerWaalsContact C-N 3.34Å; I162-V164 PolarHBondContact O-N 2.98Å; V164-R167 VanDerWaalsContact CG2-NH2 3.32Å; V164-R167 PolarHBondContact O-N 2.89Å; V164-R168 WeakPolarHBondContact O-CG 3.39Å; V164-R168 PolarHBondContact O-N 2.93Å
165	T	93.9	Very high	94	Very high	8 Å²	8	65.3 Å²	65.3	5%	0.049	33%	0.327	C	S	.	.	H	α-helix	trans	-66.2	-45.9	-179.5	-55.1	0	0	0	0	111.2	L33 A37 V161 I162 R167 R168 V169	L33-T165 HydrophobicContact CD2-CG2 4.45Å; A37-T165 HydrophobicContact CB-CG2 4.05Å; V161-T165 WeakPolarHBondContact O-CB 3.42Å; V161-T165 PolarHBondContact O-N 3.44Å; V161-T165 PolarHBondContact O-OG1 3.24Å; I162-T165 PolarHBondContact O-N 2.72Å; I162-T165 VanDerWaalsContact O-N 3.14Å; T165-R167 PolarHBondContact O-N 2.87Å; T165-R168 WeakPolarHBondContact O-CB 3.4Å; T165-R168 PolarHBondContact O-N 3.14Å; T165-R168 VanDerWaalsContact O-N 3.11Å; T165-V169 WeakPolarHBondContact O-CG2 3.43Å; T165-V169 PolarHBondContact O-N 2.87Å
166	N	93.7	Very high	94	Very high	66 Å²	66	66.5 Å²	66.5	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-41.1	176.4	-74	-14.6	0	0	0	112.1	I162 R168 V169 N170	I162-N166 WeakPolarHBondContact O-CB 3.32Å; I162-N166 PolarHBondContact O-N 3.1Å; N166-R168 VanDerWaalsContact C-N 3.28Å; N166-R168 PolarHBondContact O-N 3.07Å; N166-V169 PolarHBondContact O-N 3.16Å; N166-N170 VanDerWaalsContact O-CG 3.24Å; N166-N170 PolarHBondContact O-N 3.45Å; N166-N170 PolarHBondContact O-OD1 3.05Å
167	R	95.3	Very high	94	Very high	169 Å²	169	64 Å²	64	64%	0.638	32%	0.318	S	S	*	.	H	α-helix	trans	-59.1	-39.7	172.4	-77.5	-173.9	-66.2	171.9	-3.2	112.2	K163 V164 T165 A171	K163-R167 WeakPolarHBondContact O-CB 3.43Å; K163-R167 VanDerWaalsContact O-CG 3.26Å; K163-R167 WeakPolarHBondContact O-CG 3.32Å; K163-R167 PolarHBondContact O-N 3.07Å; K163-R167 PolarHBondContact O-NE 2.99Å; V164-R167 VanDerWaalsContact CG2-NH2 3.32Å; V164-R167 PolarHBondContact O-N 2.89Å; T165-R167 PolarHBondContact O-N 2.87Å; R167-A171 VanDerWaalsContact O-CB 3.3Å; R167-A171 WeakPolarHBondContact O-CB 3.32Å; R167-A171 PolarHBondContact O-N 3.27Å
168	R	95	Very high	94.1	Very high	157 Å²	157	63.5 Å²	63.5	59%	0.592	32%	0.315	S	S	*	.	H	α-helix	trans	-67.7	-41.5	176.3	-73.3	175.7	-179.4	-171.7	1.2	112.3	L33 V164 T165 N166 A171 I172	L33-R168 HydrophobicContact CD1-CB 4.31Å; V164-R168 WeakPolarHBondContact O-CG 3.39Å; V164-R168 PolarHBondContact O-N 2.93Å; T165-R168 WeakPolarHBondContact O-CB 3.4Å; T165-R168 PolarHBondContact O-N 3.14Å; T165-R168 VanDerWaalsContact O-N 3.11Å; N166-R168 VanDerWaalsContact C-N 3.28Å; N166-R168 PolarHBondContact O-N 3.07Å; R168-A171 PolarHBondContact O-N 2.97Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.48Å; R168-I172 PolarHBondContact O-N 2.87Å
169	V	95.7	Very high	94.1	Very high	12 Å²	12	67.7 Å²	67.7	7%	0.073	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-50.8	175.2	172.6	0	0	0	0	110	H30 L33 T165 N166 A171 I172 E173	H30-V169 WeakPolarHBondContact NE2-CG1 3.47Å; L33-V169 HydrophobicContact CB-CG2 3.65Å; T165-V169 WeakPolarHBondContact O-CG2 3.43Å; T165-V169 PolarHBondContact O-N 2.87Å; N166-V169 PolarHBondContact O-N 3.16Å; V169-A171 VanDerWaalsContact C-N 3.33Å; V169-A171 PolarHBondContact O-N 3.36Å; V169-I172 PolarHBondContact O-N 3.39Å; V169-I172 VanDerWaalsContact O-N 3.09Å; V169-E173 PolarHBondContact O-N 3.36Å
170	N	95	Very high	94.1	Very high	85 Å²	85	65.8 Å²	65.8	46%	0.455	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-37.8	179.1	-64.9	0.1	0	0	0	112.5	N166 I172 E173 H174	N166-N170 VanDerWaalsContact O-CG 3.24Å; N166-N170 PolarHBondContact O-N 3.45Å; N166-N170 PolarHBondContact O-OD1 3.05Å; N170-I172 VanDerWaalsContact C-N 3.32Å; N170-I172 PolarHBondContact O-N 2.85Å; N170-E173 PolarHBondContact O-N 2.91Å; N170-H174 PolarHBondContact O-N 3.38Å
171	A	95.6	Very high	94	Very high	40 Å²	40	64.6 Å²	64.6	33%	0.331	32%	0.315	S	S	.	.	H	α-helix	trans	-63.5	-39.1	174.9	0	0	0	0	0	111.6	R167 R168 V169 V175 I176	R167-A171 VanDerWaalsContact O-CB 3.3Å; R167-A171 WeakPolarHBondContact O-CB 3.32Å; R167-A171 PolarHBondContact O-N 3.27Å; R168-A171 PolarHBondContact O-N 2.97Å; V169-A171 VanDerWaalsContact C-N 3.33Å; V169-A171 PolarHBondContact O-N 3.36Å; A171-V175 WeakPolarHBondContact O-CA 3.41Å; A171-V175 VanDerWaalsContact O-CB 3.24Å; A171-V175 WeakPolarHBondContact O-CB 3.42Å; A171-V175 PolarHBondContact O-N 3.3Å; A171-I176 PolarHBondContact O-N 3.38Å
172	I	95	Very high	94	Very high	22 Å²	22	67.1 Å²	67.1	11%	0.113	32%	0.319	C	S	.	.	I	π-helix	trans	-66.8	-46	176.3	-66.5	161.9	0	0	0	110.5	A26 H30 L33 R168 V169 N170 I176 I177	A26-I172 HydrophobicContact CB-CG2 4.41Å; H30-I172 HydrophobicContact CB-CG2 3.86Å; L33-I172 HydrophobicContact CD1-CD1 3.65Å; R168-I172 VanDerWaalsContact O-CG1 3.31Å; R168-I172 WeakPolarHBondContact O-CG1 3.48Å; R168-I172 PolarHBondContact O-N 2.87Å; V169-I172 PolarHBondContact O-N 3.39Å; V169-I172 VanDerWaalsContact O-N 3.09Å; N170-I172 VanDerWaalsContact C-N 3.32Å; N170-I172 PolarHBondContact O-N 2.85Å; I172-I176 HydrophobicContact CG1-CD1 3.98Å; I172-I176 PolarHBondContact O-N 2.93Å; I172-I177 HydrophobicContact CG2-CD1 3.9Å; I172-I177 HydrophobicContact CG2-CG1 4.05Å; I172-I177 WeakPolarHBondContact O-CB 3.41Å; I172-I177 WeakPolarHBondContact O-CG1 3.32Å; I172-I177 PolarHBondContact O-N 3.19Å
173	E	94.1	Very high	93.9	Very high	90 Å²	90	66.3 Å²	66.3	42%	0.421	32%	0.315	S	S	.	.	I	π-helix	trans	-67	-47.1	-176.2	-172.3	171.6	-174.1	0	0	113.2	H30 V169 N170 P178	H30-E173 IonicContact NE2-OE2 3.69Å; V169-E173 PolarHBondContact O-N 3.36Å; N170-E173 PolarHBondContact O-N 2.91Å; E173-P178 VanDerWaalsContact O-CD 3.24Å; E173-P178 WeakPolarHBondContact O-CD 3.45Å
174	H	93.7	Very high	93.8	Very high	127 Å²	127	62.3 Å²	62.3	59%	0.588	30%	0.299	S	S	*	.	I	π-helix	trans	-101.6	-18	-171.4	-61.2	-50.7	0	0	0	114.7	N170 P178	N170-H174 PolarHBondContact O-N 3.38Å; H174-P178 WeakPolarHBondContact O-CG 3.4Å
175	V	92.7	Very high	93.7	Very high	74 Å²	74	65.5 Å²	65.5	45%	0.448	31%	0.31	S	S	.	.	I	π-helix	trans	-113.1	-56.2	-178.8	-174.4	0	0	0	0	111.2	A171 R179	A171-V175 WeakPolarHBondContact O-CA 3.41Å; A171-V175 VanDerWaalsContact O-CB 3.24Å; A171-V175 WeakPolarHBondContact O-CB 3.42Å; A171-V175 PolarHBondContact O-N 3.3Å; V175-R179 VanDerWaalsContact O-CB 3.24Å; V175-R179 WeakPolarHBondContact O-CB 3.49Å; V175-R179 WeakPolarHBondContact O-CD 3.48Å; V175-R179 WeakPolarHBondContact O-CG 2.96Å; V175-R179 PolarHBondContact O-N 2.93Å; V175-R179 VanDerWaalsContact O-N 3.16Å
176	I	92.4	Very high	93.7	Very high	75 Å²	75	68.1 Å²	68.1	39%	0.385	32%	0.32	S	S	.	.	I	π-helix	trans	-75	-50.7	-169.3	-56.9	179	0	0	0	111.7	A26 A171 I172 R179 I180	A26-I176 HydrophobicContact CB-CG2 4.5Å; A171-I176 PolarHBondContact O-N 3.38Å; I172-I176 HydrophobicContact CG1-CD1 3.98Å; I172-I176 PolarHBondContact O-N 2.93Å; I176-R179 PolarHBondContact O-N 3Å; I176-I180 HydrophobicContact CG2-CD1 3.66Å; I176-I180 HydrophobicContact CG2-CG1 4.36Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.41Å; I176-I180 PolarHBondContact O-N 3.48Å
177	I	93.6	Very high	93.6	Very high	34 Å²	34	65 Å²	65	17%	0.174	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-49.5	-179.8	-70.6	170	0	0	0	110.9	A26 T27 I172 R179 I180 N181	A26-I177 HydrophobicContact CB-CG1 4.23Å; T27-I177 HydrophobicContact CG2-CD1 4.3Å; I172-I177 HydrophobicContact CG2-CD1 3.9Å; I172-I177 HydrophobicContact CG2-CG1 4.05Å; I172-I177 WeakPolarHBondContact O-CB 3.41Å; I172-I177 WeakPolarHBondContact O-CG1 3.32Å; I172-I177 PolarHBondContact O-N 3.19Å; I177-R179 PolarHBondContact O-N 3.14Å; I177-I180 PolarHBondContact O-N 2.91Å; I177-N181 PolarHBondContact O-N 3.03Å
178	P	94.1	Very high	93.5	Very high	34 Å²	34	59.9 Å²	59.9	22%	0.221	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-38.2	177.9	-27.5	38.5	0	0	0	113.4	E173 H174 N181 R182	E173-P178 VanDerWaalsContact O-CD 3.24Å; E173-P178 WeakPolarHBondContact O-CD 3.45Å; H174-P178 WeakPolarHBondContact O-CG 3.4Å; P178-N181 PolarHBondContact O-N 3.35Å; P178-R182 VanDerWaalsContact O-CG 3.32Å; P178-R182 WeakPolarHBondContact O-CG 3.27Å; P178-R182 PolarHBondContact O-N 3.32Å
179	R	92.3	Very high	93.4	Very high	88 Å²	88	55.1 Å²	55.1	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-39.4	176.3	-75.6	-179	72.3	-174.7	2.6	112.3	D5 R6 V175 I176 I177 T183	D5-R179 WeakPolarHBondContact O-CG 3.25Å; R6-R179 PolarHBondContact O-NH2 3Å; V175-R179 VanDerWaalsContact O-CB 3.24Å; V175-R179 WeakPolarHBondContact O-CB 3.49Å; V175-R179 WeakPolarHBondContact O-CD 3.48Å; V175-R179 WeakPolarHBondContact O-CG 2.96Å; V175-R179 PolarHBondContact O-N 2.93Å; V175-R179 VanDerWaalsContact O-N 3.16Å; I176-R179 PolarHBondContact O-N 3Å; I177-R179 PolarHBondContact O-N 3.14Å; R179-T183 WeakPolarHBondContact O-CB 3.32Å; R179-T183 PolarHBondContact O-N 3.49Å; R179-T183 VanDerWaalsContact O-N 3.16Å; R179-T183 PolarHBondContact O-OG1 3.38Å
180	I	93.4	Very high	93.2	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-67.4	-45.5	176	-65.6	166.5	0	0	0	110.1	L7 R22 L23 A26 I176 I177 R182 T183 I184	L7-I180 HydrophobicContact CD1-CG1 4.48Å; R22-I180 HydrophobicContact CG-CD1 3.83Å; L23-I180 HydrophobicContact CB-CG2 3.87Å; L23-I180 HydrophobicContact CD1-CG2 4.31Å; A26-I180 HydrophobicContact CB-CD1 4.22Å; I176-I180 HydrophobicContact CG2-CD1 3.66Å; I176-I180 HydrophobicContact CG2-CG1 4.36Å; I176-I180 VanDerWaalsContact O-CG1 3.32Å; I176-I180 WeakPolarHBondContact O-CG1 3.41Å; I176-I180 PolarHBondContact O-N 3.48Å; I177-I180 PolarHBondContact O-N 2.91Å; I180-R182 PolarHBondContact O-N 3.34Å; I180-T183 WeakPolarHBondContact O-CA 3.35Å; I180-T183 WeakPolarHBondContact O-CB 3.5Å; I180-T183 PolarHBondContact O-N 2.89Å; I180-I184 HydrophobicContact CG2-CD1 3.8Å; I180-I184 HydrophobicContact CG2-CG1 4.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.32Å; I180-I184 PolarHBondContact O-N 3.25Å
181	N	93.4	Very high	93.1	Very high	61 Å²	61	55.1 Å²	55.1	33%	0.326	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-49.7	177.8	-74	-11.9	0	0	0	112.2	L23 I177 P178 T183 I184 E185	L23-N181 WeakPolarHBondContact CD1-OD1 3.44Å; I177-N181 PolarHBondContact O-N 3.03Å; P178-N181 PolarHBondContact O-N 3.35Å; N181-T183 PolarHBondContact O-N 2.99Å; N181-I184 PolarHBondContact O-N 2.94Å; N181-I184 VanDerWaalsContact O-N 3.07Å; N181-E185 WeakPolarHBondContact O-CG 3.36Å; N181-E185 PolarHBondContact O-N 3.42Å
182	R	92.5	Very high	93	Very high	94 Å²	94	57.2 Å²	57.2	36%	0.355	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-31.7	176.2	-67.8	175.4	-160.7	141.7	1.5	113.1	R6 P178 I180 Y186	R6-R182 HydrophobicContact CG-CB 4.25Å; P178-R182 VanDerWaalsContact O-CG 3.32Å; P178-R182 WeakPolarHBondContact O-CG 3.27Å; P178-R182 PolarHBondContact O-N 3.32Å; I180-R182 PolarHBondContact O-N 3.34Å; R182-Y186 WeakPolarHBondContact O-CB 3.46Å; R182-Y186 PolarHBondContact O-N 3.48Å; R182-Y186 VanDerWaalsContact O-N 3.12Å
183	T	91.8	Very high	92.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-73	-39	176	-54.4	0	0	0	0	110.7	L7 I9 M19 R179 I180 N181 Y186 I187	L7-T183 HydrophobicContact CB-CG2 4.16Å; L7-T183 PolarHBondContact N-OG1 3.42Å; L7-T183 VanDerWaalsContact N-OG1 3.1Å; I9-T183 HydrophobicContact CG2-CG2 3.64Å; M19-T183 HydrophobicContact CG-CG2 4.26Å; M19-T183 HydrophobicContact SD-CG2 4.28Å; R179-T183 WeakPolarHBondContact O-CB 3.32Å; R179-T183 PolarHBondContact O-N 3.49Å; R179-T183 VanDerWaalsContact O-N 3.16Å; R179-T183 PolarHBondContact O-OG1 3.38Å; I180-T183 WeakPolarHBondContact O-CA 3.35Å; I180-T183 WeakPolarHBondContact O-CB 3.5Å; I180-T183 PolarHBondContact O-N 2.89Å; N181-T183 PolarHBondContact O-N 2.99Å; T183-Y186 PolarHBondContact O-N 3.34Å; T183-I187 HydrophobicContact CG2-CD1 4.11Å; T183-I187 VanDerWaalsContact O-CG1 3.25Å; T183-I187 WeakPolarHBondContact O-CG1 3.19Å; T183-I187 PolarHBondContact O-N 2.89Å
184	I	92.7	Very high	92.9	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.092	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-46.3	175.1	-68.1	169.4	0	0	0	110.6	M19 K20 L23 I180 N181 Y186 I187 I188	M19-I184 HydrophobicContact CB-CD1 4.2Å; M19-I184 HydrophobicContact CB-CG1 3.61Å; K20-I184 HydrophobicContact CG-CD1 4.44Å; L23-I184 HydrophobicContact CB-CD1 4.26Å; L23-I184 HydrophobicContact CD1-CD1 3.63Å; I180-I184 HydrophobicContact CG2-CD1 3.8Å; I180-I184 HydrophobicContact CG2-CG1 4.29Å; I180-I184 WeakPolarHBondContact O-CG1 3.32Å; I180-I184 PolarHBondContact O-N 3.25Å; N181-I184 PolarHBondContact O-N 2.94Å; N181-I184 VanDerWaalsContact O-N 3.07Å; I184-Y186 VanDerWaalsContact C-N 3.29Å; I184-Y186 PolarHBondContact O-N 2.91Å; I184-I187 PolarHBondContact O-N 2.9Å; I184-I188 HydrophobicContact CG2-CD1 3.73Å; I184-I188 HydrophobicContact CG2-CG1 4.41Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 3.42Å
185	E	92.4	Very high	92.8	Very high	117 Å²	117	57.5 Å²	57.5	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-43.3	175.8	-73.4	168.7	-172	0	0	111.5	N181 I188 S189	N181-E185 WeakPolarHBondContact O-CG 3.36Å; N181-E185 PolarHBondContact O-N 3.42Å; E185-I188 PolarHBondContact O-N 3.17Å; E185-S189 PolarHBondContact O-N 3.32Å; E185-S189 PolarHBondContact O-OG 2.9Å
186	Y	92.5	Very high	92.8	Very high	64 Å²	64	61.3 Å²	61.3	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-46.7	174.2	173	-114	0	0	0	113.1	R182 T183 I184 I188 S189 E190	R182-Y186 WeakPolarHBondContact O-CB 3.46Å; R182-Y186 PolarHBondContact O-N 3.48Å; R182-Y186 VanDerWaalsContact O-N 3.12Å; T183-Y186 PolarHBondContact O-N 3.34Å; I184-Y186 VanDerWaalsContact C-N 3.29Å; I184-Y186 PolarHBondContact O-N 2.91Å; Y186-I188 VanDerWaalsContact C-N 3.26Å; Y186-I188 PolarHBondContact O-N 3.32Å; Y186-S189 WeakPolarHBondContact CA-OG 3.42Å; Y186-S189 PolarHBondContact O-N 3.31Å; Y186-S189 PolarHBondContact O-OG 3.21Å; Y186-E190 HydrophobicContact CD2-CG 3.77Å; Y186-E190 HydrophobicContact CE1-CG 4.23Å; Y186-E190 HydrophobicContact CE2-CG 3.37Å; Y186-E190 WeakPolarHBondContact CE2-OE1 3.41Å; Y186-E190 HydrophobicContact CG-CG 4.41Å; Y186-E190 VanDerWaalsContact O-CG 3.27Å; Y186-E190 WeakPolarHBondContact O-CG 3.42Å; Y186-E190 PolarHBondContact O-N 3.42Å
187	I	92	Very high	92.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-39.9	178.9	-67.5	164.6	0	0	0	110.2	I9 P11 A15 Q16 M19 T183 I184 L191	I9-I187 HydrophobicContact CG2-CD1 3.99Å; P11-I187 HydrophobicContact CB-CG1 4.47Å; P11-I187 HydrophobicContact CB-CG2 4.45Å; A15-I187 HydrophobicContact CB-CD1 4.25Å; Q16-I187 HydrophobicContact CB-CG2 3.84Å; Q16-I187 HydrophobicContact CG-CG2 4.23Å; M19-I187 HydrophobicContact CB-CD1 4.44Å; M19-I187 HydrophobicContact CG-CD1 3.8Å; T183-I187 HydrophobicContact CG2-CD1 4.11Å; T183-I187 VanDerWaalsContact O-CG1 3.25Å; T183-I187 WeakPolarHBondContact O-CG1 3.19Å; T183-I187 PolarHBondContact O-N 2.89Å; I184-I187 PolarHBondContact O-N 2.9Å; I187-L191 HydrophobicContact CG2-CD1 3.77Å; I187-L191 HydrophobicContact CG2-CG 4.27Å; I187-L191 WeakPolarHBondContact O-CB 3.36Å; I187-L191 WeakPolarHBondContact O-CG 3.43Å; I187-L191 PolarHBondContact O-N 3.06Å
188	I	93.2	Very high	92.8	Very high	61 Å²	61	65.8 Å²	65.8	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-48.7	177.1	-67	166.9	0	0	0	110.2	I184 E185 Y186 E190 L191 D192	I184-I188 HydrophobicContact CG2-CD1 3.73Å; I184-I188 HydrophobicContact CG2-CG1 4.41Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 3.42Å; E185-I188 PolarHBondContact O-N 3.17Å; Y186-I188 VanDerWaalsContact C-N 3.26Å; Y186-I188 PolarHBondContact O-N 3.32Å; I188-E190 VanDerWaalsContact C-N 3.31Å; I188-E190 PolarHBondContact O-N 3.12Å; I188-L191 PolarHBondContact O-N 2.89Å; I188-D192 WeakPolarHBondContact O-CB 3.34Å; I188-D192 PolarHBondContact O-N 3.23Å
189	S	92.8	Very high	92.7	Very high	58 Å²	58	71 Å²	71	41%	0.406	33%	0.328	S	S	.	.	H	α-helix	trans	-61.4	-37.7	-179.5	64.1	0	0	0	0	113.3	E185 Y186 E193	E185-S189 PolarHBondContact O-N 3.32Å; E185-S189 PolarHBondContact O-OG 2.9Å; Y186-S189 WeakPolarHBondContact CA-OG 3.42Å; Y186-S189 PolarHBondContact O-N 3.31Å; Y186-S189 PolarHBondContact O-OG 3.21Å; S189-E193 PolarHBondContact O-N 2.98Å; S189-E193 VanDerWaalsContact O-N 3.14Å
190	E	92.4	Very high	92.8	Very high	75 Å²	75	73.2 Å²	73.2	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-73.7	-37.8	177.7	-65.4	-68.8	137.6	0	0	112.1	P11 Y186 I188 E193 L194	P11-E190 HydrophobicContact CB-CB 3.63Å; P11-E190 HydrophobicContact CB-CG 4.19Å; P11-E190 HydrophobicContact CG-CB 3.75Å; P11-E190 HydrophobicContact CG-CG 4.07Å; Y186-E190 HydrophobicContact CD2-CG 3.77Å; Y186-E190 HydrophobicContact CE1-CG 4.23Å; Y186-E190 HydrophobicContact CE2-CG 3.37Å; Y186-E190 WeakPolarHBondContact CE2-OE1 3.41Å; Y186-E190 HydrophobicContact CG-CG 4.41Å; Y186-E190 VanDerWaalsContact O-CG 3.27Å; Y186-E190 WeakPolarHBondContact O-CG 3.42Å; Y186-E190 PolarHBondContact O-N 3.42Å; I188-E190 VanDerWaalsContact C-N 3.31Å; I188-E190 PolarHBondContact O-N 3.12Å; E190-E193 PolarHBondContact O-N 2.89Å; E190-L194 VanDerWaalsContact O-CG 3.31Å; E190-L194 WeakPolarHBondContact O-CG 3.45Å; E190-L194 PolarHBondContact O-N 3.05Å
191	L	92.6	Very high	92.8	Very high	21 Å²	21	79.8 Å²	79.8	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-65.2	-42.4	174.4	-73.7	173.7	0	0	0	111.2	R13 I187 I188 E193 L194 E195	R13-L191 HydrophobicContact CG-CD1 4.12Å; R13-L191 HydrophobicContact CG-CD2 4.35Å; I187-L191 HydrophobicContact CG2-CD1 3.77Å; I187-L191 HydrophobicContact CG2-CG 4.27Å; I187-L191 WeakPolarHBondContact O-CB 3.36Å; I187-L191 WeakPolarHBondContact O-CG 3.43Å; I187-L191 PolarHBondContact O-N 3.06Å; I188-L191 PolarHBondContact O-N 2.89Å; L191-E193 VanDerWaalsContact C-N 3.29Å; L191-E193 PolarHBondContact O-N 3.36Å; L191-L194 PolarHBondContact O-N 3.05Å; L191-E195 WeakPolarHBondContact O-CB 3.31Å; L191-E195 WeakPolarHBondContact O-CG 3.45Å; L191-E195 PolarHBondContact O-N 3.4Å
192	D	94	Very high	92.8	Very high	85 Å²	85	81.9 Å²	81.9	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-62.8	-36.4	176.8	-67.3	-13.8	0	0	0	111.6	I188 R196	I188-D192 WeakPolarHBondContact O-CB 3.34Å; I188-D192 PolarHBondContact O-N 3.23Å; D192-R196 VanDerWaalsContact O-CB 3.31Å; D192-R196 WeakPolarHBondContact O-CB 3.42Å; D192-R196 PolarHBondContact O-N 2.98Å
193	E	93.2	Very high	92.9	Very high	82 Å²	82	82.7 Å²	82.7	38%	0.383	38%	0.379	S	S	.	.	H	α-helix	trans	-72.6	-39.9	176.5	-163.2	61.9	-152.8	0	0	111.9	S189 E190 L191 R196 E197	S189-E193 PolarHBondContact O-N 2.98Å; S189-E193 VanDerWaalsContact O-N 3.14Å; E190-E193 PolarHBondContact O-N 2.89Å; L191-E193 VanDerWaalsContact C-N 3.29Å; L191-E193 PolarHBondContact O-N 3.36Å; E193-R196 WeakPolarHBondContact O-CB 3.04Å; E193-R196 PolarHBondContact O-N 3.16Å; E193-R196 IonicContact OE2-CZ 2.63Å; E193-R196 IonicContact OE2-NE 3.8Å; E193-R196 IonicContact OE2-NH1 2.71Å; E193-R196 PolarHBondContact OE2-NH1 3.46Å; E193-R196 VanDerWaalsContact OE2-NH1 3.12Å; E193-E197 WeakPolarHBondContact O-CG 3.45Å; E193-E197 PolarHBondContact O-N 3.32Å
194	L	92.8	Very high	92.9	Very high	79 Å²	79	87.3 Å²	87.3	41%	0.414	40%	0.399	S	S	.	.	H	α-helix	trans	-62	-43.1	172.7	-72.6	172.2	0	0	0	112.1	E190 L191 R196 E197 E198	E190-L194 VanDerWaalsContact O-CG 3.31Å; E190-L194 WeakPolarHBondContact O-CG 3.45Å; E190-L194 PolarHBondContact O-N 3.05Å; L191-L194 PolarHBondContact O-N 3.05Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.35Å; L194-E197 PolarHBondContact O-N 2.87Å; L194-E198 WeakPolarHBondContact O-CB 3.26Å; L194-E198 PolarHBondContact O-N 3.34Å
195	E	92	Very high	92.9	Very high	83 Å²	83	91.6 Å²	91.6	39%	0.388	42%	0.421	S	S	.	.	H	α-helix	trans	-63.8	-36.7	175.2	-73.7	179.7	-174.6	0	0	111.1	R13 L191 E198 F199	R13-E195 IonicContact CZ-OE1 2.73Å; R13-E195 IonicContact NE-OE1 2.72Å; R13-E195 IonicContact NH2-OE1 3.82Å; R13-E195 PolarHBondContact NH2-OE1 2.98Å; L191-E195 WeakPolarHBondContact O-CB 3.31Å; L191-E195 WeakPolarHBondContact O-CG 3.45Å; L191-E195 PolarHBondContact O-N 3.4Å; E195-E198 PolarHBondContact O-N 3.27Å; E195-F199 VanDerWaalsContact O-CB 3.26Å; E195-F199 WeakPolarHBondContact O-CB 3.31Å; E195-F199 PolarHBondContact O-N 3.47Å
196	R	93.6	Very high	92.9	Very high	155 Å²	155	92.7 Å²	92.7	59%	0.585	43%	0.426	S	S	*	.	H	α-helix	trans	-65.9	-43.5	174.3	-176.5	-178.9	-66.1	173	-1.9	112.5	D192 E193 L194 F199 Y200	D192-R196 VanDerWaalsContact O-CB 3.31Å; D192-R196 WeakPolarHBondContact O-CB 3.42Å; D192-R196 PolarHBondContact O-N 2.98Å; E193-R196 WeakPolarHBondContact O-CB 3.04Å; E193-R196 PolarHBondContact O-N 3.16Å; E193-R196 IonicContact OE2-CZ 2.63Å; E193-R196 IonicContact OE2-NE 3.8Å; E193-R196 IonicContact OE2-NH1 2.71Å; E193-R196 PolarHBondContact OE2-NH1 3.46Å; E193-R196 VanDerWaalsContact OE2-NH1 3.12Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 3.35Å; R196-F199 PolarHBondContact O-N 3.39Å; R196-Y200 PolarHBondContact O-N 2.73Å
197	E	93.6	Very high	92.9	Very high	95 Å²	95	92.4 Å²	92.4	44%	0.444	43%	0.429	S	S	.	.	H	α-helix	trans	-63.1	-43.5	175.5	-73.5	-176.8	-179.4	0	0	111.6	E193 L194 Y200 R201	E193-E197 WeakPolarHBondContact O-CG 3.45Å; E193-E197 PolarHBondContact O-N 3.32Å; L194-E197 PolarHBondContact O-N 2.87Å; E197-Y200 PolarHBondContact O-N 2.98Å; E197-R201 WeakPolarHBondContact O-CG 3.38Å; E197-R201 PolarHBondContact O-N 2.95Å
198	E	91.8	Very high	92.9	Very high	107 Å²	107	99.5 Å²	99.5	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-44.8	176	-172.1	166.4	-157.9	0	0	112	L194 E195 Y200 R201 L202	L194-E198 WeakPolarHBondContact O-CB 3.26Å; L194-E198 PolarHBondContact O-N 3.34Å; E195-E198 PolarHBondContact O-N 3.27Å; E198-Y200 VanDerWaalsContact C-N 3.32Å; E198-Y200 PolarHBondContact O-N 3.17Å; E198-R201 PolarHBondContact O-N 3.39Å; E198-R201 VanDerWaalsContact O-N 3.17Å; E198-L202 HydrophobicContact CG-CD1 4.39Å; E198-L202 WeakPolarHBondContact O-CG 3.49Å; E198-L202 PolarHBondContact O-N 3.22Å
199	F	92.9	Very high	92.7	Very high	143 Å²	143	101 Å²	101	63%	0.627	47%	0.465	S	S	*	.	H	α-helix	trans	-58.7	-42.4	174.2	-176.9	-98.4	0	0	0	112.2	E195 R196 L202 K203	E195-F199 VanDerWaalsContact O-CB 3.26Å; E195-F199 WeakPolarHBondContact O-CB 3.31Å; E195-F199 PolarHBondContact O-N 3.47Å; R196-F199 PolarHBondContact O-N 3.39Å; F199-L202 PolarHBondContact O-N 3.5Å; F199-K203 WeakPolarHBondContact O-CB 3.37Å; F199-K203 PolarHBondContact O-N 3.02Å
200	Y	93.8	Very high	92.5	Very high	135 Å²	135	105.7 Å²	105.7	53%	0.529	47%	0.473	S	S	.	.	H	α-helix	trans	-65	-40.7	175.8	-177.8	-102	0	0	0	112.4	R196 E197 E198 K203 K204	R196-Y200 PolarHBondContact O-N 2.73Å; E197-Y200 PolarHBondContact O-N 2.98Å; E198-Y200 VanDerWaalsContact C-N 3.32Å; E198-Y200 PolarHBondContact O-N 3.17Å; Y200-K203 PolarHBondContact O-N 3.42Å; Y200-K204 HydrophobicContact CD1-CG 4.43Å; Y200-K204 HydrophobicContact CE1-CG 4.02Å; Y200-K204 HydrophobicContact CE2-CG 4.44Å; Y200-K204 VanDerWaalsContact CZ-CE 3.46Å; Y200-K204 WeakPolarHBondContact O-CG 3.42Å; Y200-K204 PolarHBondContact O-N 3.46Å; Y200-K204 WeakPolarHBondContact OH-CE 3.44Å
201	R	92.8	Very high	92.4	Very high	143 Å²	143	108.5 Å²	108.5	54%	0.54	49%	0.486	S	S	.	.	H	α-helix	trans	-61.5	-47.7	174.9	-74.5	-173.7	-65.9	-148	-1.6	111.7	E197 E198 K203 K204 I205	E197-R201 WeakPolarHBondContact O-CG 3.38Å; E197-R201 PolarHBondContact O-N 2.95Å; E198-R201 PolarHBondContact O-N 3.39Å; E198-R201 VanDerWaalsContact O-N 3.17Å; R201-K203 PolarHBondContact O-N 2.95Å; R201-K204 PolarHBondContact O-N 3.2Å; R201-I205 WeakPolarHBondContact O-CG1 3.49Å; R201-I205 PolarHBondContact O-N 2.92Å
202	L	93.5	Very high	92.1	Very high	104 Å²	104	110.4 Å²	110.4	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-60.4	-44.4	177.2	-71.5	173.5	0	0	0	111.6	E198 F199 K204 I205 Q206	E198-L202 HydrophobicContact CG-CD1 4.39Å; E198-L202 WeakPolarHBondContact O-CG 3.49Å; E198-L202 PolarHBondContact O-N 3.22Å; F199-L202 PolarHBondContact O-N 3.5Å; L202-K204 VanDerWaalsContact C-N 3.34Å; L202-K204 PolarHBondContact O-N 3Å; L202-I205 PolarHBondContact O-N 2.88Å; L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 2.87Å
203	K	94.2	Very high	91.8	Very high	111 Å²	111	113.2 Å²	113.2	48%	0.483	51%	0.509	S	S	.	.	H	α-helix	trans	-57.8	-44.3	175.3	-174.7	176.1	-179.2	177.3	0	112.1	F199 Y200 R201 Q206 D207	F199-K203 WeakPolarHBondContact O-CB 3.37Å; F199-K203 PolarHBondContact O-N 3.02Å; Y200-K203 PolarHBondContact O-N 3.42Å; R201-K203 PolarHBondContact O-N 2.95Å; K203-Q206 PolarHBondContact O-N 3.47Å; K203-D207 WeakPolarHBondContact O-CB 3.41Å; K203-D207 VanDerWaalsContact O-CG 3.31Å; K203-D207 PolarHBondContact O-N 3.03Å
204	K	93.3	Very high	91.5	Very high	97 Å²	97	114.6 Å²	114.6	42%	0.422	51%	0.514	S	S	.	.	H	α-helix	trans	-66.4	-36.4	177.2	-74.5	-63.2	-174.9	-173.4	0	113.3	Y200 R201 L202 K208	Y200-K204 HydrophobicContact CD1-CG 4.43Å; Y200-K204 HydrophobicContact CE1-CG 4.02Å; Y200-K204 HydrophobicContact CE2-CG 4.44Å; Y200-K204 VanDerWaalsContact CZ-CE 3.46Å; Y200-K204 WeakPolarHBondContact O-CG 3.42Å; Y200-K204 PolarHBondContact O-N 3.46Å; Y200-K204 WeakPolarHBondContact OH-CE 3.44Å; R201-K204 PolarHBondContact O-N 3.2Å; L202-K204 VanDerWaalsContact C-N 3.34Å; L202-K204 PolarHBondContact O-N 3Å; K204-K208 WeakPolarHBondContact O-CG 3.49Å; K204-K208 PolarHBondContact O-N 2.89Å
205	I	92.3	Very high	91.2	Very high	109 Å²	109	113.2 Å²	113.2	56%	0.559	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-42.6	174.4	-67.1	165.9	0	0	0	110	R201 L202 K208 K209	R201-I205 WeakPolarHBondContact O-CG1 3.49Å; R201-I205 PolarHBondContact O-N 2.92Å; L202-I205 PolarHBondContact O-N 2.88Å; I205-K208 PolarHBondContact O-N 2.84Å; I205-K209 WeakPolarHBondContact O-CB 3.44Å; I205-K209 PolarHBondContact O-N 3.32Å
206	Q	91	Very high	90.8	Very high	140 Å²	140	111.6 Å²	111.6	65%	0.654	51%	0.512	S	S	*	.	H	α-helix	trans	-64.8	-41.2	177	-166.7	176.8	17.6	0	0	112.2	L202 K203 K209 R210	L202-Q206 WeakPolarHBondContact O-CB 3.47Å; L202-Q206 PolarHBondContact O-N 2.87Å; K203-Q206 PolarHBondContact O-N 3.47Å; Q206-K209 PolarHBondContact O-N 3.26Å; Q206-R210 WeakPolarHBondContact O-CB 3.47Å; Q206-R210 PolarHBondContact O-N 3.3Å
207	D	92.4	Very high	90.3	Very high	58 Å²	58	108.8 Å²	108.8	31%	0.31	51%	0.508	S	S	.	.	H	α-helix	trans	-60	-45.7	173.5	-74.1	-24.4	0	0	0	110.8	K203 R210 E211	K203-D207 WeakPolarHBondContact O-CB 3.41Å; K203-D207 VanDerWaalsContact O-CG 3.31Å; K203-D207 PolarHBondContact O-N 3.03Å; D207-R210 WeakPolarHBondContact O-CB 3.37Å; D207-R210 PolarHBondContact O-N 2.88Å; D207-E211 WeakPolarHBondContact O-CG 3.3Å; D207-E211 PolarHBondContact O-N 3.34Å
208	K	92	Very high	89.8	Confident	149 Å²	149	111 Å²	111	65%	0.648	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-42.3	175	-74.7	-179.4	178.4	-174.1	0	113	K204 I205 R210 E211 A212	K204-K208 WeakPolarHBondContact O-CG 3.49Å; K204-K208 PolarHBondContact O-N 2.89Å; I205-K208 PolarHBondContact O-N 2.84Å; K208-R210 VanDerWaalsContact C-N 3.28Å; K208-R210 PolarHBondContact O-N 2.86Å; K208-E211 PolarHBondContact O-N 2.99Å; K208-A212 WeakPolarHBondContact O-CB 3.37Å; K208-A212 PolarHBondContact O-N 3.21Å
209	K	90.9	Very high	89.2	Confident	93 Å²	93	110.5 Å²	110.5	40%	0.404	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-37	175.6	-167.4	170.7	-175.1	173	0	110.4	I205 Q206 R213 D244	I205-K209 WeakPolarHBondContact O-CB 3.44Å; I205-K209 PolarHBondContact O-N 3.32Å; Q206-K209 PolarHBondContact O-N 3.26Å; K209-R213 WeakPolarHBondContact O-CB 3.35Å; K209-R213 VanDerWaalsContact O-CG 3.3Å; K209-R213 WeakPolarHBondContact O-CG 3.47Å; K209-R213 PolarHBondContact O-N 3.29Å; K209-D244 IonicContact NZ-OD2 2.63Å; K209-D244 PolarHBondContact NZ-OD2 2.9Å
210	R	88.2	Confident	88.5	Confident	156 Å²	156	110.8 Å²	110.8	59%	0.589	51%	0.514	S	S	*	.	H	α-helix	trans	-69.6	-40.2	175	-170.4	179.8	-175.8	-170	2.3	112.5	Q206 D207 K208 K214	Q206-R210 WeakPolarHBondContact O-CB 3.47Å; Q206-R210 PolarHBondContact O-N 3.3Å; D207-R210 WeakPolarHBondContact O-CB 3.37Å; D207-R210 PolarHBondContact O-N 2.88Å; K208-R210 VanDerWaalsContact C-N 3.28Å; K208-R210 PolarHBondContact O-N 2.86Å; R210-K214 WeakPolarHBondContact O-CG 3.34Å; R210-K214 PolarHBondContact O-N 3.29Å
211	E	88.8	Confident	87.7	Confident	134 Å²	134	106.5 Å²	106.5	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-44	173.7	-75.1	175	179.2	0	0	111.5	D207 K208 K214 A215	D207-E211 WeakPolarHBondContact O-CG 3.3Å; D207-E211 PolarHBondContact O-N 3.34Å; K208-E211 PolarHBondContact O-N 2.99Å; E211-K214 PolarHBondContact O-N 3.43Å; E211-A215 WeakPolarHBondContact O-CB 3.27Å; E211-A215 PolarHBondContact O-N 2.94Å
212	A	88	Confident	86.9	Confident	61 Å²	61	104.9 Å²	104.9	50%	0.504	51%	0.505	S	S	.	.	H	α-helix	trans	-61.6	-44.9	175.3	0	0	0	0	0	111.9	K208 K214 A215 S216	K208-A212 WeakPolarHBondContact O-CB 3.37Å; K208-A212 PolarHBondContact O-N 3.21Å; A212-K214 PolarHBondContact O-N 2.95Å; A212-A215 PolarHBondContact O-N 2.72Å; A212-S216 PolarHBondContact O-N 2.96Å; A212-S216 PolarHBondContact O-OG 3.4Å
213	R	86.1	Confident	85.8	Confident	143 Å²	143	106.5 Å²	106.5	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-59.7	-44.8	173.9	-76.9	177.8	178.9	-173.6	-1.1	112.1	K209 A215 S216 D217	K209-R213 WeakPolarHBondContact O-CB 3.35Å; K209-R213 VanDerWaalsContact O-CG 3.3Å; K209-R213 WeakPolarHBondContact O-CG 3.47Å; K209-R213 PolarHBondContact O-N 3.29Å; R213-A215 VanDerWaalsContact C-N 3.32Å; R213-A215 PolarHBondContact O-N 2.88Å; R213-S216 WeakPolarHBondContact CA-OG 3.43Å; R213-S216 PolarHBondContact O-N 3.38Å; R213-S216 PolarHBondContact O-OG 3.2Å; R213-D217 WeakPolarHBondContact O-CB 3.42Å; R213-D217 PolarHBondContact O-N 3.1Å
214	K	88.6	Confident	84.5	Confident	112 Å²	112	111 Å²	111	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-36.5	175.3	-74.7	176.9	179.3	-177.8	0	112.6	R210 E211 A212 K218	R210-K214 WeakPolarHBondContact O-CG 3.34Å; R210-K214 PolarHBondContact O-N 3.29Å; E211-K214 PolarHBondContact O-N 3.43Å; A212-K214 PolarHBondContact O-N 2.95Å; K214-K218 WeakPolarHBondContact O-CB 3.41Å; K214-K218 VanDerWaalsContact O-CG 3.27Å; K214-K218 WeakPolarHBondContact O-CG 3.36Å; K214-K218 PolarHBondContact O-N 2.83Å; K214-K218 VanDerWaalsContact O-N 3.1Å
215	A	86.6	Confident	83.3	Confident	49 Å²	49	113.5 Å²	113.5	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-70.3	-42.3	176.9	0	0	0	0	0	111.6	E211 A212 R213 K218 L219	E211-A215 WeakPolarHBondContact O-CB 3.27Å; E211-A215 PolarHBondContact O-N 2.94Å; A212-A215 PolarHBondContact O-N 2.72Å; R213-A215 VanDerWaalsContact C-N 3.32Å; R213-A215 PolarHBondContact O-N 2.88Å; A215-K218 PolarHBondContact O-N 3.35Å; A215-L219 WeakPolarHBondContact O-CG 3.48Å; A215-L219 PolarHBondContact O-N 2.87Å
216	S	82.7	Confident	81.9	Confident	50 Å²	50	115.6 Å²	115.6	35%	0.35	55%	0.552	S	S	.	*	H	α-helix	trans	-65.4	-38.7	175	60.5	0	0	0	0	112.3	A212 R213 L219 R220	A212-S216 PolarHBondContact O-N 2.96Å; A212-S216 PolarHBondContact O-OG 3.4Å; R213-S216 WeakPolarHBondContact CA-OG 3.43Å; R213-S216 PolarHBondContact O-N 3.38Å; R213-S216 PolarHBondContact O-OG 3.2Å; S216-L219 PolarHBondContact O-N 3.49Å; S216-R220 WeakPolarHBondContact O-CB 3.48Å; S216-R220 WeakPolarHBondContact O-CG 3.33Å; S216-R220 PolarHBondContact O-N 2.82Å
217	D	83.2	Confident	80.1	Confident	95 Å²	95	111.4 Å²	111.4	51%	0.508	55%	0.547	S	S	.	.	H	α-helix	trans	-66.9	-37.9	177.3	-68.6	-18.8	0	0	0	111.5	R213 A221	R213-D217 WeakPolarHBondContact O-CB 3.42Å; R213-D217 PolarHBondContact O-N 3.1Å; D217-A221 WeakPolarHBondContact O-CB 3.44Å; D217-A221 PolarHBondContact O-N 3.48Å
218	K	82.6	Confident	77.8	Confident	142 Å²	142	117 Å²	117	62%	0.617	57%	0.571	S	S	*	*	H	α-helix	trans	-64.9	-45.7	172.4	-76.8	177.7	179.3	-170.2	0	112	K214 A215 R220 A221 E222	K214-K218 WeakPolarHBondContact O-CB 3.41Å; K214-K218 VanDerWaalsContact O-CG 3.27Å; K214-K218 WeakPolarHBondContact O-CG 3.36Å; K214-K218 PolarHBondContact O-N 2.83Å; K214-K218 VanDerWaalsContact O-N 3.1Å; A215-K218 PolarHBondContact O-N 3.35Å; K218-R220 PolarHBondContact O-N 2.84Å; K218-A221 PolarHBondContact O-N 3.29Å; K218-A221 VanDerWaalsContact O-N 3.17Å; K218-E222 WeakPolarHBondContact O-CB 3.27Å; K218-E222 WeakPolarHBondContact O-CG 3.37Å; K218-E222 PolarHBondContact O-N 3.48Å
219	L	80.4	Confident	75.1	Confident	96 Å²	96	119.1 Å²	119.1	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-61.4	-42.7	176.1	-77	164.3	0	0	0	111.6	A215 S216 A221 E222 Q223	A215-L219 WeakPolarHBondContact O-CG 3.48Å; A215-L219 PolarHBondContact O-N 2.87Å; S216-L219 PolarHBondContact O-N 3.49Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 3.17Å; L219-E222 PolarHBondContact O-N 3.36Å; L219-Q223 WeakPolarHBondContact O-CB 3.41Å; L219-Q223 VanDerWaalsContact O-CG 3.27Å; L219-Q223 WeakPolarHBondContact O-CG 3.45Å; L219-Q223 PolarHBondContact O-N 3.4Å
220	R	76.9	Confident	72.7	Confident	149 Å²	149	119.1 Å²	119.1	56%	0.562	60%	0.603	S	S	*	*	H	α-helix	trans	-63.5	-37.5	173.9	-78.6	-179.9	172.1	-173.6	-3.3	112	S216 K218 R224	S216-R220 WeakPolarHBondContact O-CB 3.48Å; S216-R220 WeakPolarHBondContact O-CG 3.33Å; S216-R220 PolarHBondContact O-N 2.82Å; K218-R220 PolarHBondContact O-N 2.84Å; R220-R224 WeakPolarHBondContact O-CB 3.43Å; R220-R224 VanDerWaalsContact O-CG 3.27Å; R220-R224 WeakPolarHBondContact O-CG 3.43Å; R220-R224 PolarHBondContact O-N 3.4Å
221	A	77.8	Confident	70	Confident	46 Å²	46	121.7 Å²	121.7	38%	0.38	62%	0.621	S	S	.	*	H	α-helix	trans	-70.1	-40.8	176.2	0	0	0	0	0	112.4	D217 K218 L219 R224 L225	D217-A221 WeakPolarHBondContact O-CB 3.44Å; D217-A221 PolarHBondContact O-N 3.48Å; K218-A221 PolarHBondContact O-N 3.29Å; K218-A221 VanDerWaalsContact O-N 3.17Å; L219-A221 VanDerWaalsContact C-N 3.34Å; L219-A221 PolarHBondContact O-N 3.17Å; A221-R224 PolarHBondContact O-N 2.91Å; A221-L225 WeakPolarHBondContact O-CG 3.27Å; A221-L225 PolarHBondContact O-N 2.99Å
222	E	76.1	Confident	67.6	Low	109 Å²	109	119 Å²	119	51%	0.509	62%	0.623	S	S	.	*	H	α-helix	trans	-65	-42.7	174.6	-75	174.3	-173.8	0	0	111.3	K218 L219 R224 L225 L226	K218-E222 WeakPolarHBondContact O-CB 3.27Å; K218-E222 WeakPolarHBondContact O-CG 3.37Å; K218-E222 PolarHBondContact O-N 3.48Å; L219-E222 PolarHBondContact O-N 3.36Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 PolarHBondContact O-N 2.86Å; E222-L225 PolarHBondContact O-N 3.47Å; E222-L225 VanDerWaalsContact O-N 3.14Å; E222-L226 PolarHBondContact O-N 3.32Å
223	Q	69.3	Low	64.9	Low	137 Å²	137	125.7 Å²	125.7	64%	0.64	64%	0.643	S	S	*	*	H	α-helix	trans	-62.3	-38.7	173.4	-74.9	176.9	0.8	0	0	112.2	L219 L225 L226 G227	L219-Q223 WeakPolarHBondContact O-CB 3.41Å; L219-Q223 VanDerWaalsContact O-CG 3.27Å; L219-Q223 WeakPolarHBondContact O-CG 3.45Å; L219-Q223 PolarHBondContact O-N 3.4Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.14Å; Q223-L226 PolarHBondContact O-N 3Å; Q223-G227 PolarHBondContact O-N 2.88Å
224	R	68.6	Low	62.6	Low	206 Å²	206	127.5 Å²	127.5	78%	0.777	66%	0.658	S	S	*	*	H	α-helix	trans	-66.2	-31	173.5	-78.3	176	178.3	179.6	0.3	113.2	R220 A221 E222	R220-R224 WeakPolarHBondContact O-CB 3.43Å; R220-R224 VanDerWaalsContact O-CG 3.27Å; R220-R224 WeakPolarHBondContact O-CG 3.43Å; R220-R224 PolarHBondContact O-N 3.4Å; A221-R224 PolarHBondContact O-N 2.91Å; E222-R224 VanDerWaalsContact C-N 3.33Å; E222-R224 PolarHBondContact O-N 2.86Å
225	L	66.5	Low	60.4	Low	149 Å²	149	128.4 Å²	128.4	78%	0.78	67%	0.673	S	S	*	*	H	α-helix	trans	-78.5	-35.6	177.2	-77.8	164	0	0	0	112.6	A221 E222 Q223	A221-L225 WeakPolarHBondContact O-CG 3.27Å; A221-L225 PolarHBondContact O-N 2.99Å; E222-L225 PolarHBondContact O-N 3.47Å; E222-L225 VanDerWaalsContact O-N 3.14Å; Q223-L225 VanDerWaalsContact C-N 3.31Å; Q223-L225 PolarHBondContact O-N 3.14Å
226	L	64.3	Low	58.3	Low	153 Å²	153	134.3 Å²	134.3	80%	0.801	69%	0.692	S	S	*	*	H	α-helix	trans	-82.7	-19.2	178.5	-88.5	141.1	0	0	0	113.6	E222 Q223	E222-L226 PolarHBondContact O-N 3.32Å; Q223-L226 PolarHBondContact O-N 3Å
227	G	52.6	Low	56.3	Low	52 Å²	52	137.7 Å²	137.7	54%	0.536	71%	0.706	S	S	.	*			trans	-109.9	63	-176.1	0	0	0	0	0	114.3	Q223	Q223-G227 PolarHBondContact O-N 2.88Å
228	Q	43.1	Very low	54.7	Low	177 Å²	177	140 Å²	140	83%	0.827	72%	0.717	S	S	*	*			trans	-86.8	124.1	143.6	-71.3	-179	4.5	0	0	105.9
229	M	36.3	Very low	53	Low	193 Å²	193	140.5 Å²	140.5	95%	0.951	73%	0.725	S	S	*	*	S	Bend	trans	98.8	72.4	-174.4	-54.1	-161.4	161.8	0	0	116.2
230	A	40.2	Very low	51.5	Low	93 Å²	93	142.1 Å²	142.1	77%	0.769	73%	0.734	S	S	*	*			trans	-174	101.5	132.3	0	0	0	0	0	109	A232	A230-A232 PolarHBondContact O-N 3.49Å; A230-A232 VanDerWaalsContact O-N 3.16Å
231	E	31.2	Very low	50	Low	209 Å²	209	142.8 Å²	142.8	98%	0.977	74%	0.744	S	S	*	*			trans	-59.1	109.1	159.1	-67.4	169.1	147.5	0	0	108.3
232	A	38.4	Very low	48.2	Very low	79 Å²	79	147.8 Å²	147.8	65%	0.653	77%	0.765	S	S	*	*			trans	-147.1	105.9	161.1	0	0	0	0	0	108.3	A230 E234	A230-A232 PolarHBondContact O-N 3.49Å; A230-A232 VanDerWaalsContact O-N 3.16Å; A232-E234 PolarHBondContact O-N 2.92Å
233	Q	32.1	Very low	46.5	Very low	201 Å²	201	145.9 Å²	145.9	94%	0.939	77%	0.774	S	S	*	*			trans	-56.7	98.5	167.2	-70.5	157.5	-42.6	0	0	109
234	E	37.9	Very low	45.2	Very low	180 Å²	180	144.4 Å²	144.4	84%	0.841	77%	0.77	S	S	*	*			trans	-109.1	121	160.6	-78.1	-171.5	166.6	0	0	109.1	A232 Q236	A232-E234 PolarHBondContact O-N 2.92Å; E234-Q236 PolarHBondContact O-N 3.45Å
235	V	42.1	Very low	43.9	Very low	132 Å²	132	142.8 Å²	142.8	80%	0.8	77%	0.772	S	S	*	*			trans	-51.1	127.3	-173	177.4	0	0	0	0	111	N237	V235-N237 PolarHBondContact O-N 2.93Å; V235-N237 VanDerWaalsContact O-N 3.1Å
236	Q	42.3	Very low	43.1	Very low	173 Å²	173	142.3 Å²	142.3	81%	0.808	77%	0.77	S	S	*	*			trans	-61.4	110	169.8	-74.9	176.6	-21.1	0	0	109.5	E234 I238	E234-Q236 PolarHBondContact O-N 3.45Å; Q236-I238 PolarHBondContact O-N 2.96Å; Q236-I238 VanDerWaalsContact O-N 3.11Å
237	N	41.7	Very low	42.1	Very low	120 Å²	120	141.3 Å²	141.3	64%	0.642	77%	0.765	S	S	*	*			trans	-70.9	101.7	161.9	-87.3	-13.8	0	0	0	108.3	V235 L239	V235-N237 PolarHBondContact O-N 2.93Å; V235-N237 VanDerWaalsContact O-N 3.1Å; N237-L239 PolarHBondContact O-N 3.48Å
238	I	48.8	Very low	41.8	Very low	144 Å²	144	147 Å²	147	74%	0.738	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	6.6	174.4	-99.3	166	0	0	0	113.8	Q236	Q236-I238 PolarHBondContact O-N 2.96Å; Q236-I238 VanDerWaalsContact O-N 3.11Å
239	L	46.2	Very low	41.7	Very low	152 Å²	152	150.9 Å²	150.9	80%	0.796	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-4.2	-171.5	-75.7	163	0	0	0	115	N237	N237-L239 PolarHBondContact O-N 3.48Å
240	D	48.9	Very low	42	Very low	130 Å²	130	148.8 Å²	148.8	70%	0.695	79%	0.789	S	S	*	*	S	Bend	trans	-105.1	-3.2	-172.7	-68.4	-34.6	0	0	0	114.9
241	E	45.5	Very low	42.1	Very low	163 Å²	163	151.7 Å²	151.7	76%	0.762	79%	0.79	S	S	*	*	S	Bend	trans	-109.2	-4.8	-178.5	-71.8	-168.3	159.2	0	0	115.8
242	D	41.2	Very low	42.7	Very low	152 Å²	152	148.5 Å²	148.5	81%	0.813	78%	0.78	S	S	*	*	S	Bend	trans	-112.4	23.7	-175.2	-71.8	-27.8	0	0	0	114.8
243	G	38.6	Very low	42.9	Very low	69 Å²	69	152.6 Å²	152.6	71%	0.711	79%	0.787	S	S	*	*			trans	-91	-5.8	-176.3	0	0	0	0	0	117.4
244	D	42.6	Very low	43.6	Very low	105 Å²	105	149.6 Å²	149.6	56%	0.561	78%	0.777	S	S	*	*			trans	-120.8	50.1	-167.8	-90.4	15.1	0	0	0	112.3	K209 D246	K209-D244 IonicContact NZ-OD2 2.63Å; K209-D244 PolarHBondContact NZ-OD2 2.9Å; D244-D246 VanDerWaalsContact C-N 3.26Å; D244-D246 PolarHBondContact O-N 3.1Å
245	E	41.6	Very low	44	Very low	172 Å²	172	147.5 Å²	147.5	80%	0.804	77%	0.773	S	S	*	*			trans	-89.6	68.9	153.6	-76.3	-166.5	169.4	0	0	109.1	L247	E245-L247 PolarHBondContact O-N 3.11Å
246	D	49.7	Very low	44.1	Very low	140 Å²	140	148.6 Å²	148.6	75%	0.749	77%	0.771	S	S	*	*			trans	-66	88.9	159.8	-85.4	-23.2	0	0	0	107.4	D244 L248	D244-D246 VanDerWaalsContact C-N 3.26Å; D244-D246 PolarHBondContact O-N 3.1Å; D246-L248 PolarHBondContact O-N 3.16Å
247	L	44.2	Very low	44.3	Very low	132 Å²	132	146.8 Å²	146.8	69%	0.691	77%	0.768	S	S	*	*			trans	-54.1	100.3	167.4	-79	157.8	0	0	0	109	E245 F249	E245-L247 PolarHBondContact O-N 3.11Å; L247-F249 HydrophobicContact CB-CE2 4.4Å; L247-F249 PolarHBondContact O-N 3Å
248	L	44.9	Very low	44.5	Very low	172 Å²	172	149 Å²	149	90%	0.901	78%	0.779	S	S	*	*			trans	-67.5	106.5	163.4	-77	161.5	0	0	0	108.5	D246	D246-L248 PolarHBondContact O-N 3.16Å
249	F	41.6	Very low	44.1	Very low	257 Å²	257	149.5 Å²	149.5	100%	1.127	78%	0.783	S	S	*	*			trans	-93.5	0	153.4	-73.1	-77.7	0	0	0	109.9	L247	L247-F249 HydrophobicContact CB-CE2 4.4Å; L247-F249 PolarHBondContact O-N 3Å

Retrieved 249 of 249 residues in 360.6 ms (Link to these results)

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