A0A077YYM7_TRITR Loading...

NADH:ubiquinone reductase (H(+)-translocating)

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A077YYM7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.1	Low	68	Low	218 Å²	218	126.5 Å²	126.5	100%	1.074	63%	0.625	S	S	*	*				0	-36.2	0	-119	179.2	108.4	0	0	114.1	P3 L4	M1-P3 VanDerWaalsContact C-CD 3.48Å; M1-L4 PolarHBondContact O-N 2.68Å
2	L	63.3	Low	67.3	Low	135 Å²	135	126 Å²	126	71%	0.707	62%	0.62	S	S	*	*	H	α-helix	trans	-55.5	-39.8	179.2	-141.7	83.5	0	0	0	116.9	L4 L5 L6	L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 3.07Å; L2-L5 PolarHBondContact O-N 3.49Å; L2-L6 PolarHBondContact O-N 3.3Å
3	P	65.2	Low	67	Low	98 Å²	98	129.3 Å²	129.3	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-69.9	-29.4	-176	20.8	-28.1	0	0	0	113.4	M1 L6 T7	M1-P3 VanDerWaalsContact C-CD 3.48Å; P3-L6 PolarHBondContact O-N 3.1Å; P3-T7 PolarHBondContact O-N 3.38Å; P3-T7 PolarHBondContact O-OG1 2.92Å
4	L	62.5	Low	66.5	Low	119 Å²	119	127.1 Å²	127.1	62%	0.623	62%	0.62	S	S	*	*	H	α-helix	trans	-73.3	-34	179.3	-156.3	115.1	0	0	0	112.1	M1 L2 L6 T7 I8	M1-L4 PolarHBondContact O-N 2.68Å; L2-L4 VanDerWaalsContact C-N 3.34Å; L2-L4 PolarHBondContact O-N 3.07Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-T7 WeakPolarHBondContact CA-OG1 3.47Å; L4-T7 PolarHBondContact O-N 3.09Å; L4-T7 PolarHBondContact O-OG1 3.17Å; L4-I8 HydrophobicContact CD2-CD1 3.9Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.09Å; L4-I8 VanDerWaalsContact O-N 3.12Å
5	L	70.9	Confident	65.5	Low	99 Å²	99	125.8 Å²	125.8	52%	0.518	62%	0.615	S	S	.	*	H	α-helix	trans	-68.4	-35.8	175.8	-165.3	79	0	0	0	111.5	L2 R9	L2-L5 PolarHBondContact O-N 3.49Å; L5-R9 PolarHBondContact O-N 3.38Å
6	L	75.5	Confident	64.7	Low	106 Å²	106	122.9 Å²	122.9	56%	0.555	61%	0.612	S	S	*	*	H	α-helix	trans	-69.6	-36.8	177	-82.8	163.1	0	0	0	112.5	L2 P3 L4 R10	L2-L6 PolarHBondContact O-N 3.3Å; P3-L6 PolarHBondContact O-N 3.1Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L6-R10 WeakPolarHBondContact O-CB 3.32Å; L6-R10 PolarHBondContact O-N 3.38Å; L6-R10 VanDerWaalsContact O-N 3.07Å
7	T	74.1	Confident	64.3	Low	80 Å²	80	125.5 Å²	125.5	49%	0.491	62%	0.619	S	S	.	*	H	α-helix	trans	-68.8	-40.8	174.7	49.3	0	0	0	0	111.6	P3 L4 R10 L11	P3-T7 PolarHBondContact O-N 3.38Å; P3-T7 PolarHBondContact O-OG1 2.92Å; L4-T7 WeakPolarHBondContact CA-OG1 3.47Å; L4-T7 PolarHBondContact O-N 3.09Å; L4-T7 PolarHBondContact O-OG1 3.17Å; T7-R10 PolarHBondContact O-N 3.45Å; T7-L11 PolarHBondContact O-N 3.27Å
8	I	68.8	Low	63.6	Low	77 Å²	77	122.7 Å²	122.7	40%	0.395	61%	0.607	S	S	.	*	H	α-helix	trans	-62.4	-48.2	175.6	-66.9	167.2	0	0	0	110.9	L4 R10 L11 E12	L4-I8 HydrophobicContact CD2-CD1 3.9Å; L4-I8 VanDerWaalsContact O-CG1 3.29Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.09Å; L4-I8 VanDerWaalsContact O-N 3.12Å; I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 PolarHBondContact O-N 2.94Å; I8-L11 WeakPolarHBondContact O-CB 3.23Å; I8-L11 PolarHBondContact O-N 3.05Å; I8-L11 VanDerWaalsContact O-N 3.09Å; I8-E12 HydrophobicContact CG2-CG 4.49Å; I8-E12 PolarHBondContact O-N 3.49Å
9	R	71.4	Confident	63	Low	168 Å²	168	119.2 Å²	119.2	63%	0.634	60%	0.595	S	S	*	*	H	α-helix	trans	-63	-32.2	177.4	-83	-173.6	171.3	178	-1.3	113.4	L5 K13	L5-R9 PolarHBondContact O-N 3.38Å; R9-K13 PolarHBondContact O-N 3.46Å
10	R	69.9	Low	62.3	Low	193 Å²	193	119 Å²	119	73%	0.728	60%	0.596	S	S	*	*	H	α-helix	trans	-68.3	-42.7	172	-84	-175.9	172.9	-179.3	-1	111.4	L6 T7 I8 K13 I14	L6-R10 WeakPolarHBondContact O-CB 3.32Å; L6-R10 PolarHBondContact O-N 3.38Å; L6-R10 VanDerWaalsContact O-N 3.07Å; T7-R10 PolarHBondContact O-N 3.45Å; I8-R10 VanDerWaalsContact C-N 3.29Å; I8-R10 PolarHBondContact O-N 2.94Å; R10-K13 PolarHBondContact O-N 2.89Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.31Å; R10-I14 PolarHBondContact O-N 2.99Å
11	L	58.6	Low	61.7	Low	98 Å²	98	118 Å²	118	51%	0.513	59%	0.592	S	S	.	*	H	α-helix	trans	-61.8	-45.2	175.6	-105.2	154.6	0	0	0	111.9	T7 I8 K13 I14 I15	T7-L11 PolarHBondContact O-N 3.27Å; I8-L11 WeakPolarHBondContact O-CB 3.23Å; I8-L11 PolarHBondContact O-N 3.05Å; I8-L11 VanDerWaalsContact O-N 3.09Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3.42Å; L11-I14 PolarHBondContact O-N 3.02Å; L11-I14 VanDerWaalsContact O-N 3.13Å; L11-I15 HydrophobicContact CD2-CD1 4.22Å; L11-I15 VanDerWaalsContact O-CG1 3.25Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 3.44Å
12	E	59.8	Low	60.8	Low	121 Å²	121	113 Å²	113	57%	0.565	57%	0.568	S	S	*	*	H	α-helix	trans	-60.5	-42.1	176.5	-74.8	-178.8	157.1	0	0	112.2	I8 I14 I15 S16	I8-E12 HydrophobicContact CG2-CG 4.49Å; I8-E12 PolarHBondContact O-N 3.49Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.31Å; E12-I15 PolarHBondContact O-N 3.09Å; E12-S16 VanDerWaalsContact O-CB 3.28Å; E12-S16 WeakPolarHBondContact O-CB 3.14Å; E12-S16 PolarHBondContact O-N 3.22Å
13	K	62.5	Low	60.2	Low	169 Å²	169	114.1 Å²	114.1	74%	0.735	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-36.7	174.7	-89	-173.1	175.1	-177.4	0	112.6	R9 R10 L11 K17	R9-K13 PolarHBondContact O-N 3.46Å; R10-K13 PolarHBondContact O-N 2.89Å; L11-K13 VanDerWaalsContact C-N 3.35Å; L11-K13 PolarHBondContact O-N 3.42Å; K13-K17 WeakPolarHBondContact O-CB 3.49Å; K13-K17 PolarHBondContact O-N 3.49Å
14	I	61	Low	59.5	Low	98 Å²	98	113.9 Å²	113.9	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-68.3	-43.6	176.2	-67.6	164.4	0	0	0	110.2	R10 L11 E12 K17 N18	R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.31Å; R10-I14 PolarHBondContact O-N 2.99Å; L11-I14 PolarHBondContact O-N 3.02Å; L11-I14 VanDerWaalsContact O-N 3.13Å; E12-I14 VanDerWaalsContact C-N 3.34Å; E12-I14 PolarHBondContact O-N 3.31Å; I14-K17 PolarHBondContact O-N 3.45Å; I14-N18 WeakPolarHBondContact O-CB 3.31Å; I14-N18 PolarHBondContact O-N 2.81Å
15	I	50.5	Low	58.7	Low	108 Å²	108	111.6 Å²	111.6	55%	0.554	56%	0.555	S	S	*	*	H	α-helix	trans	-64.8	-44.1	178.3	-66.7	164.5	0	0	0	110.6	L11 E12 K17 N18 S19	L11-I15 HydrophobicContact CD2-CD1 4.22Å; L11-I15 VanDerWaalsContact O-CG1 3.25Å; L11-I15 WeakPolarHBondContact O-CG1 3.39Å; L11-I15 PolarHBondContact O-N 3.44Å; E12-I15 PolarHBondContact O-N 3.09Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3.05Å; I15-N18 PolarHBondContact O-N 3.27Å; I15-S19 PolarHBondContact O-N 3.32Å
16	S	53.8	Low	57.5	Low	80 Å²	80	110.4 Å²	110.4	56%	0.559	55%	0.552	S	S	*	*	H	α-helix	trans	-64.7	-34.3	176.5	166.3	0	0	0	0	112.7	E12 S19	E12-S16 VanDerWaalsContact O-CB 3.28Å; E12-S16 WeakPolarHBondContact O-CB 3.14Å; E12-S16 PolarHBondContact O-N 3.22Å; S16-S19 PolarHBondContact O-OG 2.82Å
17	K	57.8	Low	56.1	Low	167 Å²	167	112.2 Å²	112.2	73%	0.726	55%	0.553	S	S	*	*	H	α-helix	trans	-75.2	-29.4	176.5	-152.8	173.2	-176.1	-176.3	0	111.8	K13 I14 I15	K13-K17 WeakPolarHBondContact O-CB 3.49Å; K13-K17 PolarHBondContact O-N 3.49Å; I14-K17 PolarHBondContact O-N 3.45Å; I15-K17 VanDerWaalsContact C-N 3.33Å; I15-K17 PolarHBondContact O-N 3.05Å
18	N	50.5	Low	54.5	Low	75 Å²	75	115.6 Å²	115.6	40%	0.401	56%	0.557	S	S	.	*	H	α-helix	trans	-86.2	-20.5	178.7	-75.1	-9.4	0	0	0	114.2	I14 I15 N20 I21 I22	I14-N18 WeakPolarHBondContact O-CB 3.31Å; I14-N18 PolarHBondContact O-N 2.81Å; I15-N18 PolarHBondContact O-N 3.27Å; N18-N20 PolarHBondContact O-N 2.93Å; N18-I21 WeakPolarHBondContact O-CA 3.42Å; N18-I21 WeakPolarHBondContact O-CB 3.34Å; N18-I21 PolarHBondContact O-N 3.46Å; N18-I22 PolarHBondContact O-N 3.34Å
19	S	52.8	Low	53.2	Low	55 Å²	55	118.7 Å²	118.7	39%	0.385	57%	0.568	S	S	.	*	H	α-helix	trans	-60.3	-36.5	177.8	62.3	0	0	0	0	111.8	I15 S16 I21 I22 F23	I15-S19 PolarHBondContact O-N 3.32Å; S16-S19 PolarHBondContact O-OG 2.82Å; S19-I21 VanDerWaalsContact C-N 3.35Å; S19-I21 PolarHBondContact O-N 3.49Å; S19-I22 PolarHBondContact O-N 3.37Å; S19-F23 WeakPolarHBondContact O-CB 3.29Å; S19-F23 PolarHBondContact O-N 3.4Å
20	N	48.4	Very low	52	Low	116 Å²	116	117.3 Å²	117.3	62%	0.62	57%	0.573	S	S	*	*	H	α-helix	trans	-62.3	-41.8	172.4	-75.6	-7.3	0	0	0	111.5	N18 I22 F23 T24	N18-N20 PolarHBondContact O-N 2.93Å; N20-I22 PolarHBondContact O-N 2.89Å; N20-F23 PolarHBondContact O-N 2.88Å; N20-T24 WeakPolarHBondContact O-CB 3.22Å; N20-T24 PolarHBondContact O-N 2.67Å; N20-T24 PolarHBondContact O-OG1 3.1Å
21	I	51.3	Low	50.6	Low	99 Å²	99	113.3 Å²	113.3	51%	0.508	57%	0.565	S	S	.	*	H	α-helix	trans	-63.3	-44.2	177.3	-58.5	175.5	0	0	0	110.5	N18 S19 F23 T24 V25	N18-I21 WeakPolarHBondContact O-CA 3.42Å; N18-I21 WeakPolarHBondContact O-CB 3.34Å; N18-I21 PolarHBondContact O-N 3.46Å; S19-I21 VanDerWaalsContact C-N 3.35Å; S19-I21 PolarHBondContact O-N 3.49Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.49Å; I21-T24 PolarHBondContact O-N 2.93Å; I21-V25 HydrophobicContact CG2-CG2 4.25Å; I21-V25 WeakPolarHBondContact O-CB 3.46Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 3.26Å
22	I	48.1	Very low	49.5	Very low	113 Å²	113	113.4 Å²	113.4	58%	0.579	56%	0.563	S	S	*	*	H	α-helix	trans	-63.4	-42.6	178.2	-63.7	168.9	0	0	0	110.3	N18 S19 N20 V25 T26	N18-I22 PolarHBondContact O-N 3.34Å; S19-I22 PolarHBondContact O-N 3.37Å; N20-I22 PolarHBondContact O-N 2.89Å; I22-V25 PolarHBondContact O-N 3.31Å; I22-T26 WeakPolarHBondContact O-CB 3.3Å; I22-T26 PolarHBondContact O-N 2.92Å; I22-T26 PolarHBondContact O-OG1 2.9Å
23	F	50.4	Low	48.5	Very low	157 Å²	157	109.5 Å²	109.5	69%	0.689	56%	0.556	S	S	*	*	H	α-helix	trans	-67.1	-42.3	178.6	-144.6	-86.4	0	0	0	111.6	S19 N20 I21 T26 Y27	S19-F23 WeakPolarHBondContact O-CB 3.29Å; S19-F23 PolarHBondContact O-N 3.4Å; N20-F23 PolarHBondContact O-N 2.88Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3.49Å; F23-T26 PolarHBondContact O-N 3.37Å; F23-Y27 WeakPolarHBondContact O-CB 3.35Å; F23-Y27 PolarHBondContact O-N 3.23Å
24	T	50.6	Low	47.3	Very low	93 Å²	93	110.2 Å²	110.2	57%	0.571	56%	0.562	S	S	*	*	H	α-helix	trans	-64.1	-43.3	176.2	-50.7	0	0	0	0	111.5	N20 I21 Y27 Y28	N20-T24 WeakPolarHBondContact O-CB 3.22Å; N20-T24 PolarHBondContact O-N 2.67Å; N20-T24 PolarHBondContact O-OG1 3.1Å; I21-T24 PolarHBondContact O-N 2.93Å; T24-Y27 PolarHBondContact O-N 3.4Å; T24-Y28 WeakPolarHBondContact O-CB 3.28Å; T24-Y28 PolarHBondContact O-N 2.78Å
25	V	45.9	Very low	45.9	Very low	72 Å²	72	112.3 Å²	112.3	44%	0.436	57%	0.569	S	S	.	*	H	α-helix	trans	-64	-44.3	176.8	171.6	0	0	0	0	110.5	I21 I22 Y28 F29	I21-V25 HydrophobicContact CG2-CG2 4.25Å; I21-V25 WeakPolarHBondContact O-CB 3.46Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 3.26Å; I22-V25 PolarHBondContact O-N 3.31Å; V25-Y28 PolarHBondContact O-N 3.46Å; V25-F29 HydrophobicContact CG1-CD2 3.8Å; V25-F29 HydrophobicContact CG1-CE2 3.87Å; V25-F29 VanDerWaalsContact O-CD2 3.28Å; V25-F29 WeakPolarHBondContact O-CD2 3.33Å; V25-F29 PolarHBondContact O-N 3.22Å
26	T	45.2	Very low	45.4	Very low	73 Å²	73	114.2 Å²	114.2	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-65.7	-41.1	179	-49.7	0	0	0	0	111.6	I22 F23 F29 L30	I22-T26 WeakPolarHBondContact O-CB 3.3Å; I22-T26 PolarHBondContact O-N 2.92Å; I22-T26 PolarHBondContact O-OG1 2.9Å; F23-T26 PolarHBondContact O-N 3.37Å; T26-F29 PolarHBondContact O-N 3.2Å; T26-L30 HydrophobicContact CG2-CD1 4.5Å; T26-L30 PolarHBondContact O-N 3.3Å
27	Y	46.5	Very low	44.5	Very low	144 Å²	144	120.4 Å²	120.4	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-67.2	-39.6	176.7	-169.5	-109.5	0	0	0	111.9	F23 T24 L30 L31	F23-Y27 WeakPolarHBondContact O-CB 3.35Å; F23-Y27 PolarHBondContact O-N 3.23Å; T24-Y27 PolarHBondContact O-N 3.4Å; Y27-L30 WeakPolarHBondContact O-CB 3.5Å; Y27-L30 PolarHBondContact O-N 3.4Å; Y27-L31 HydrophobicContact CD1-CD1 3.61Å; Y27-L31 HydrophobicContact CD2-CD1 4.42Å; Y27-L31 HydrophobicContact CE1-CD1 3.09Å; Y27-L31 HydrophobicContact CE1-CG 4.49Å; Y27-L31 HydrophobicContact CE2-CD1 3.98Å; Y27-L31 HydrophobicContact CG-CD1 4.25Å; Y27-L31 PolarHBondContact O-N 3.03Å
28	Y	41.1	Very low	43.5	Very low	151 Å²	151	118.3 Å²	118.3	59%	0.592	58%	0.581	S	S	*	*	H	α-helix	trans	-63.5	-41.3	174.5	-166.1	-92.7	0	0	0	111.6	T24 V25 L30 L31 H32	T24-Y28 WeakPolarHBondContact O-CB 3.28Å; T24-Y28 PolarHBondContact O-N 2.78Å; V25-Y28 PolarHBondContact O-N 3.46Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 2.96Å; Y28-L31 PolarHBondContact O-N 3.23Å; Y28-H32 HydrophobicContact CE1-CB 4.35Å; Y28-H32 AromaticContact CE2-CD2 3.79Å; Y28-H32 AromaticContact CZ-CD2 3.96Å; Y28-H32 PolarHBondContact O-N 3.44Å
29	F	42.2	Very low	43	Very low	142 Å²	142	119.2 Å²	119.2	62%	0.623	59%	0.586	S	S	*	*	H	α-helix	trans	-64.6	-34.1	173.3	-92.7	-72.3	0	0	0	113.2	V25 T26	V25-F29 HydrophobicContact CG1-CD2 3.8Å; V25-F29 HydrophobicContact CG1-CE2 3.87Å; V25-F29 VanDerWaalsContact O-CD2 3.28Å; V25-F29 WeakPolarHBondContact O-CD2 3.33Å; V25-F29 PolarHBondContact O-N 3.22Å; T26-F29 PolarHBondContact O-N 3.2Å
30	L	45.2	Very low	42.1	Very low	140 Å²	140	126.6 Å²	126.6	73%	0.733	61%	0.605	S	S	*	*	H	α-helix	trans	-70.5	-39	176.1	-99.2	153.4	0	0	0	112.6	T26 Y27 Y28	T26-L30 HydrophobicContact CG2-CD1 4.5Å; T26-L30 PolarHBondContact O-N 3.3Å; Y27-L30 WeakPolarHBondContact O-CB 3.5Å; Y27-L30 PolarHBondContact O-N 3.4Å; Y28-L30 VanDerWaalsContact C-N 3.32Å; Y28-L30 PolarHBondContact O-N 2.96Å
31	L	40.4	Very low	41.6	Very low	108 Å²	108	129.5 Å²	129.5	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-84.2	-36.3	-176.9	-92.3	154.9	0	0	0	114.2	Y27 Y28	Y27-L31 HydrophobicContact CD1-CD1 3.61Å; Y27-L31 HydrophobicContact CD2-CD1 4.42Å; Y27-L31 HydrophobicContact CE1-CD1 3.09Å; Y27-L31 HydrophobicContact CE1-CG 4.49Å; Y27-L31 HydrophobicContact CE2-CD1 3.98Å; Y27-L31 HydrophobicContact CG-CD1 4.25Å; Y27-L31 PolarHBondContact O-N 3.03Å; Y28-L31 PolarHBondContact O-N 3.23Å
32	H	34.5	Very low	41	Very low	100 Å²	100	128.6 Å²	128.6	46%	0.463	61%	0.61	S	S	.	*			trans	-104.9	25.5	-173.1	-85.3	-69.5	0	0	0	114.6	Y28 Q34 H35	Y28-H32 HydrophobicContact CE1-CB 4.35Å; Y28-H32 AromaticContact CE2-CD2 3.79Å; Y28-H32 AromaticContact CZ-CD2 3.96Å; Y28-H32 PolarHBondContact O-N 3.44Å; H32-Q34 PolarHBondContact O-N 3.01Å; H32-H35 PolarHBondContact O-N 3.13Å
33	G	40.6	Very low	40.6	Very low	40 Å²	40	133.5 Å²	133.5	41%	0.412	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.5	5.8	176.7	0	0	0	0	0	116.8	F36	G33-F36 WeakPolarHBondContact O-CD2 3.45Å; G33-F36 VanDerWaalsContact O-CE2 3.26Å; G33-F36 WeakPolarHBondContact O-CE2 3.35Å
34	Q	37.4	Very low	40.3	Very low	184 Å²	184	130.7 Å²	130.7	86%	0.86	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.1	-1.7	175.9	-69.9	-168.4	-21.7	0	0	115.6	H32	H32-Q34 PolarHBondContact O-N 3.01Å
35	H	30	Very low	40	Very low	142 Å²	142	130.5 Å²	130.5	66%	0.657	62%	0.62	S	S	*	*			trans	-114.4	65.7	176.3	-67.8	-82.7	0	0	0	112.8	H32 Y37	H32-H35 PolarHBondContact O-N 3.13Å; H35-Y37 PolarHBondContact O-N 3.5Å; H35-Y37 VanDerWaalsContact O-N 3.12Å
36	F	40.9	Very low	40.3	Very low	147 Å²	147	131.7 Å²	131.7	65%	0.645	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	3.8	-179.1	-96.1	-90.1	0	0	0	115.8	G33 I38 L39	G33-F36 WeakPolarHBondContact O-CD2 3.45Å; G33-F36 VanDerWaalsContact O-CE2 3.26Å; G33-F36 WeakPolarHBondContact O-CE2 3.35Å; F36-I38 PolarHBondContact O-N 3.28Å; F36-L39 HydrophobicContact CD1-CD1 3.48Å; F36-L39 VanDerWaalsContact CD1-CD1 3.48Å; F36-L39 HydrophobicContact CE1-CD1 3.5Å; F36-L39 HydrophobicContact CG-CD1 4.44Å; F36-L39 HydrophobicContact CZ-CD1 4.47Å
37	Y	35.6	Very low	40.6	Very low	210 Å²	210	134.1 Å²	134.1	82%	0.824	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-27.5	-177.5	-125	-87.3	0	0	0	113.6	H35 L39	H35-Y37 PolarHBondContact O-N 3.5Å; H35-Y37 VanDerWaalsContact O-N 3.12Å; Y37-L39 VanDerWaalsContact C-N 3.3Å; Y37-L39 PolarHBondContact O-N 3.48Å
38	I	36.5	Very low	40.7	Very low	124 Å²	124	131.4 Å²	131.4	64%	0.636	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-75.5	-21.1	-177.6	-60.5	174.6	0	0	0	111.9	F36 R40 H41 I42	F36-I38 PolarHBondContact O-N 3.28Å; I38-R40 PolarHBondContact O-N 3.13Å; I38-R40 VanDerWaalsContact O-N 3.13Å; I38-H41 PolarHBondContact O-N 3.48Å; I38-I42 HydrophobicContact CG2-CD1 4.33Å
39	L	38.3	Very low	41.1	Very low	93 Å²	93	131.2 Å²	131.2	49%	0.487	63%	0.626	S	S	.	*	G	3₁₀ helix	trans	-65.9	-15.6	179.7	-105.9	145.7	0	0	0	114.2	F36 Y37 H41	F36-L39 HydrophobicContact CD1-CD1 3.48Å; F36-L39 VanDerWaalsContact CD1-CD1 3.48Å; F36-L39 HydrophobicContact CE1-CD1 3.5Å; F36-L39 HydrophobicContact CG-CD1 4.44Å; F36-L39 HydrophobicContact CZ-CD1 4.47Å; Y37-L39 VanDerWaalsContact C-N 3.3Å; Y37-L39 PolarHBondContact O-N 3.48Å; L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 3.12Å
40	R	35.2	Very low	41.6	Very low	210 Å²	210	126.6 Å²	126.6	79%	0.792	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-66.9	-32.9	174.5	-170.5	173.3	178	168.1	-1.5	112.3	I38	I38-R40 PolarHBondContact O-N 3.13Å; I38-R40 VanDerWaalsContact O-N 3.13Å
41	H	36.7	Very low	41.6	Very low	178 Å²	178	124.1 Å²	124.1	82%	0.824	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-21.2	-170.8	-121.9	-69.6	0	0	0	114.5	I38 L39 R43	I38-H41 PolarHBondContact O-N 3.48Å; L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 3.12Å; H41-R43 VanDerWaalsContact C-N 3.32Å
42	I	39.1	Very low	42.2	Very low	79 Å²	79	123.8 Å²	123.8	41%	0.405	59%	0.59	S	S	.	*	S	Bend	trans	-91.2	1.9	-176.5	-55.4	176.2	0	0	0	111.9	I38 S44 V45 N46	I38-I42 HydrophobicContact CG2-CD1 4.33Å; I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.19Å; I42-S44 VanDerWaalsContact O-N 3.12Å; I42-V45 PolarHBondContact O-N 3.42Å; I42-N46 HydrophobicContact CG2-CB 4.2Å; I42-N46 VanDerWaalsContact CG2-CG 3.48Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.4Å
43	R	40.2	Very low	42.9	Very low	216 Å²	216	123 Å²	123	82%	0.815	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-25.7	-168.8	-164.9	174.2	174.2	146.2	-1.2	115.6	H41	H41-R43 VanDerWaalsContact C-N 3.32Å
44	S	44.6	Very low	43.4	Very low	98 Å²	98	123.3 Å²	123.3	69%	0.685	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.1	-42.7	-177.4	178.5	0	0	0	0	112.8	I42	I42-S44 VanDerWaalsContact C-N 3.29Å; I42-S44 PolarHBondContact O-N 3.19Å; I42-S44 VanDerWaalsContact O-N 3.12Å
45	V	44.3	Very low	43.8	Very low	90 Å²	90	117.4 Å²	117.4	55%	0.545	57%	0.569	S	S	.	*	H	α-helix	trans	-77.7	-35.4	-168.6	-177.2	0	0	0	0	111.8	I42 Y49	I42-V45 PolarHBondContact O-N 3.42Å; V45-Y49 HydrophobicContact CG1-CD2 4.06Å; V45-Y49 HydrophobicContact CG1-CE2 3.76Å; V45-Y49 VanDerWaalsContact O-CD2 3.25Å; V45-Y49 WeakPolarHBondContact O-CD2 3.34Å
46	N	50.8	Low	45.1	Very low	97 Å²	97	115.3 Å²	115.3	52%	0.519	57%	0.57	S	S	.	*	H	α-helix	trans	-77.1	-25.6	-172.9	-83.5	0.3	0	0	0	115.3	I42 T48 Y49 F50	I42-N46 HydrophobicContact CG2-CB 4.2Å; I42-N46 VanDerWaalsContact CG2-CG 3.48Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.4Å; N46-T48 PolarHBondContact O-N 3.03Å; N46-Y49 PolarHBondContact O-N 3.38Å; N46-F50 WeakPolarHBondContact O-CB 3.36Å; N46-F50 PolarHBondContact O-N 2.99Å
47	F	52.9	Low	45.3	Very low	123 Å²	123	108.6 Å²	108.6	54%	0.539	54%	0.542	S	S	.	.	H	α-helix	trans	-68.3	-39.7	-175.7	-169.5	-105.6	0	0	0	111.8	F50 L51	F47-F50 PolarHBondContact O-N 3.48Å; F47-L51 HydrophobicContact CD1-CD1 3.91Å; F47-L51 HydrophobicContact CD1-CG 4.41Å; F47-L51 HydrophobicContact CE1-CD1 3.5Å; F47-L51 HydrophobicContact CE1-CG 4.07Å; F47-L51 HydrophobicContact CZ-CD1 4.17Å; F47-L51 HydrophobicContact CZ-CG 4.34Å; F47-L51 PolarHBondContact O-N 3.12Å
48	T	47.2	Very low	45.9	Very low	87 Å²	87	104.5 Å²	104.5	53%	0.534	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-45.3	177.2	-45.9	0	0	0	0	111.4	N46 F50 L51 I52	N46-T48 PolarHBondContact O-N 3.03Å; T48-F50 VanDerWaalsContact C-N 3.28Å; T48-F50 PolarHBondContact O-N 3.39Å; T48-L51 PolarHBondContact O-N 3.07Å; T48-I52 HydrophobicContact CG2-CD1 4.26Å; T48-I52 VanDerWaalsContact O-CG1 3.3Å; T48-I52 WeakPolarHBondContact O-CG1 2.97Å; T48-I52 PolarHBondContact O-N 3.45Å
49	Y	51.2	Low	47.4	Very low	148 Å²	148	106.5 Å²	106.5	58%	0.58	54%	0.541	S	S	*	.	H	α-helix	trans	-60.4	-38.8	174.6	-79	-70.8	0	0	0	112.2	V45 N46 I52 I53	V45-Y49 HydrophobicContact CG1-CD2 4.06Å; V45-Y49 HydrophobicContact CG1-CE2 3.76Å; V45-Y49 VanDerWaalsContact O-CD2 3.25Å; V45-Y49 WeakPolarHBondContact O-CD2 3.34Å; N46-Y49 PolarHBondContact O-N 3.38Å; Y49-I52 PolarHBondContact O-N 2.86Å; Y49-I53 WeakPolarHBondContact O-CG1 3.48Å; Y49-I53 PolarHBondContact O-N 3.48Å
50	F	51.1	Low	48.4	Very low	45 Å²	45	105.9 Å²	105.9	20%	0.197	54%	0.543	C	S	.	.	H	α-helix	trans	-65.8	-40.3	178.5	-164.3	-98	0	0	0	112.7	N46 F47 T48 I53 L54 A65 I68 L69	N46-F50 WeakPolarHBondContact O-CB 3.36Å; N46-F50 PolarHBondContact O-N 2.99Å; F47-F50 PolarHBondContact O-N 3.48Å; T48-F50 VanDerWaalsContact C-N 3.28Å; T48-F50 PolarHBondContact O-N 3.39Å; F50-I53 PolarHBondContact O-N 3.27Å; F50-L54 HydrophobicContact CD1-CD1 3.73Å; F50-L54 HydrophobicContact CE1-CD1 3.63Å; F50-L54 PolarHBondContact O-N 3.1Å; F50-A65 HydrophobicContact CE1-CB 4.09Å; F50-A65 HydrophobicContact CE2-CB 4.03Å; F50-A65 HydrophobicContact CZ-CB 3.61Å; F50-A65 VanDerWaalsContact CZ-O 3.24Å; F50-A65 WeakPolarHBondContact CZ-O 3.29Å; F50-I68 HydrophobicContact CE2-CB 4.37Å; F50-I68 HydrophobicContact CE2-CD1 4.46Å; F50-I68 HydrophobicContact CE2-CG2 4.21Å; F50-I68 HydrophobicContact CZ-CB 4.12Å; F50-I68 HydrophobicContact CZ-CG2 4.16Å; F50-L69 HydrophobicContact CD1-CD1 4.37Å; F50-L69 HydrophobicContact CE1-CB 4.15Å; F50-L69 HydrophobicContact CE1-CD1 3.82Å; F50-L69 HydrophobicContact CZ-CB 4.49Å
51	L	46.6	Very low	49.4	Very low	87 Å²	87	100.4 Å²	100.4	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-38.4	173.5	-75	176.4	0	0	0	112.3	F47 T48 I53 L54 G55	F47-L51 HydrophobicContact CD1-CD1 3.91Å; F47-L51 HydrophobicContact CD1-CG 4.41Å; F47-L51 HydrophobicContact CE1-CD1 3.5Å; F47-L51 HydrophobicContact CE1-CG 4.07Å; F47-L51 HydrophobicContact CZ-CD1 4.17Å; F47-L51 HydrophobicContact CZ-CG 4.34Å; F47-L51 PolarHBondContact O-N 3.12Å; T48-L51 PolarHBondContact O-N 3.07Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3.05Å; L51-L54 WeakPolarHBondContact O-CB 3.22Å; L51-L54 PolarHBondContact O-N 3.46Å; L51-G55 PolarHBondContact O-N 3.44Å
52	I	53.3	Low	50.4	Low	101 Å²	101	97.7 Å²	97.7	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-62.2	-41.3	175.4	-67.3	165.3	0	0	0	110.6	T48 Y49 G55 S56	T48-I52 HydrophobicContact CG2-CD1 4.26Å; T48-I52 VanDerWaalsContact O-CG1 3.3Å; T48-I52 WeakPolarHBondContact O-CG1 2.97Å; T48-I52 PolarHBondContact O-N 3.45Å; Y49-I52 PolarHBondContact O-N 2.86Å; I52-G55 PolarHBondContact O-N 2.96Å; I52-S56 WeakPolarHBondContact O-CB 3.32Å; I52-S56 PolarHBondContact O-N 2.89Å
53	I	48.8	Very low	51.4	Low	83 Å²	83	99.7 Å²	99.7	43%	0.426	52%	0.52	S	S	.	.	H	α-helix	trans	-64.8	-40.7	175.6	-66	165.8	0	0	0	111.2	Y49 F50 L51 G55 G57	Y49-I53 WeakPolarHBondContact O-CG1 3.48Å; Y49-I53 PolarHBondContact O-N 3.48Å; F50-I53 PolarHBondContact O-N 3.27Å; L51-I53 VanDerWaalsContact C-N 3.32Å; L51-I53 PolarHBondContact O-N 3.05Å; I53-G55 VanDerWaalsContact C-N 3.33Å; I53-G55 PolarHBondContact O-N 3.48Å; I53-G57 WeakPolarHBondContact O-CA 3.44Å; I53-G57 PolarHBondContact O-N 3Å
54	L	49.8	Very low	52.4	Low	48 Å²	48	94.3 Å²	94.3	25%	0.251	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-39.1	175.5	-96.2	153.4	0	0	0	112.8	F50 L51 A65	F50-L54 HydrophobicContact CD1-CD1 3.73Å; F50-L54 HydrophobicContact CE1-CD1 3.63Å; F50-L54 PolarHBondContact O-N 3.1Å; L51-L54 WeakPolarHBondContact O-CB 3.22Å; L51-L54 PolarHBondContact O-N 3.46Å; L54-A65 HydrophobicContact CD1-CB 4.45Å; L54-A65 HydrophobicContact CD2-CB 4.31Å; L54-A65 HydrophobicContact CG-CB 3.97Å
55	G	47	Very low	53	Low	59 Å²	59	89.9 Å²	89.9	61%	0.608	48%	0.475	S	S	*	.	H	α-helix	trans	-75.7	-38.8	179.2	0	0	0	0	0	113.9	L51 I52 I53	L51-G55 PolarHBondContact O-N 3.44Å; I52-G55 PolarHBondContact O-N 2.96Å; I53-G55 VanDerWaalsContact C-N 3.33Å; I53-G55 PolarHBondContact O-N 3.48Å
56	S	56.4	Low	53.7	Low	99 Å²	99	88.2 Å²	88.2	69%	0.692	47%	0.465	S	S	*	.	H	α-helix	trans	-105.4	-13.2	-169.4	-170.7	0	0	0	0	115.3	I52	I52-S56 WeakPolarHBondContact O-CB 3.32Å; I52-S56 PolarHBondContact O-N 2.89Å
57	G	45.5	Very low	54.1	Low	5 Å²	5	86.4 Å²	86.4	5%	0.052	46%	0.46	C	S	.	.			trans	-76.4	151.5	-170.6	0	0	0	0	0	114.8	I53 E61 R62	I53-G57 WeakPolarHBondContact O-CA 3.44Å; I53-G57 PolarHBondContact O-N 3Å; G57-E61 WeakPolarHBondContact CA-OE2 3.3Å; G57-R62 PolarHBondContact O-NE 3.23Å; G57-R62 PolarHBondContact O-NH2 3.41Å
58	N	49.3	Very low	54.5	Low	124 Å²	124	84.7 Å²	84.7	66%	0.663	46%	0.456	S	S	*	.			trans	-68	158.3	170.3	-81.8	-28.3	0	0	0	110.4	P60 E61 R62	N58-P60 VanDerWaalsContact C-N 3.35Å; N58-P60 WeakPolarHBondContact O-CD 3.39Å; N58-E61 PolarHBondContact N-OE2 3.27Å; N58-E61 WeakPolarHBondContact O-CB 3.05Å; N58-E61 PolarHBondContact O-N 3.16Å; N58-R62 PolarHBondContact O-N 3.24Å
59	Q	67.7	Low	54.9	Low	166 Å²	166	84.5 Å²	84.5	78%	0.776	45%	0.451	S	S	*	.	H	α-helix	trans	-41.2	-43.5	-172	-81.1	-163.1	-19.3	0	0	117	L63	Q59-L63 PolarHBondContact O-N 2.84Å
60	P	58	Low	55.1	Low	80 Å²	80	85.1 Å²	85.1	52%	0.519	46%	0.457	S	S	.	.	H	α-helix	trans	-68.1	-35.8	-179.7	25.7	-34.6	0	0	0	113.4	N58 R62 L63 I64	N58-P60 VanDerWaalsContact C-N 3.35Å; N58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-R62 VanDerWaalsContact C-N 3.31Å; P60-R62 PolarHBondContact O-N 3.15Å; P60-L63 PolarHBondContact O-N 3.18Å; P60-I64 WeakPolarHBondContact O-CG1 3.31Å; P60-I64 PolarHBondContact O-N 3.38Å; P60-I64 VanDerWaalsContact O-N 3.11Å
61	E	56.5	Low	55.2	Low	96 Å²	96	92.6 Å²	92.6	45%	0.449	48%	0.484	S	S	.	.	H	α-helix	trans	-66.1	-38	-178.8	-65	161.8	175.5	0	0	110.6	G57 N58 L63 I64 A65	G57-E61 WeakPolarHBondContact CA-OE2 3.3Å; N58-E61 PolarHBondContact N-OE2 3.27Å; N58-E61 WeakPolarHBondContact O-CB 3.05Å; N58-E61 PolarHBondContact O-N 3.16Å; E61-L63 PolarHBondContact O-N 3.02Å; E61-I64 PolarHBondContact O-N 2.65Å; E61-A65 WeakPolarHBondContact O-CB 3.25Å; E61-A65 PolarHBondContact O-N 3.43Å
62	R	57.5	Low	55.5	Low	120 Å²	120	91.4 Å²	91.4	45%	0.453	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-39.6	174.2	-62.1	-172.2	-160.8	-161.3	-1.3	112	G57 N58 P60 A65 T66	G57-R62 PolarHBondContact O-NE 3.23Å; G57-R62 PolarHBondContact O-NH2 3.41Å; N58-R62 PolarHBondContact O-N 3.24Å; P60-R62 VanDerWaalsContact C-N 3.31Å; P60-R62 PolarHBondContact O-N 3.15Å; R62-A65 PolarHBondContact O-N 3.38Å; R62-T66 WeakPolarHBondContact O-CB 3.3Å; R62-T66 PolarHBondContact O-N 3.46Å; R62-T66 PolarHBondContact O-OG1 3.01Å
63	L	59.8	Low	55.4	Low	122 Å²	122	88.3 Å²	88.3	64%	0.639	48%	0.48	S	S	*	.	H	α-helix	trans	-63.3	-45.1	177.7	-79.4	165.6	0	0	0	111.3	Q59 P60 E61 T66 S67	Q59-L63 PolarHBondContact O-N 2.84Å; P60-L63 PolarHBondContact O-N 3.18Å; E61-L63 PolarHBondContact O-N 3.02Å; L63-T66 PolarHBondContact O-N 3.02Å; L63-S67 PolarHBondContact O-N 3.27Å
64	I	62.2	Low	55.4	Low	103 Å²	103	86 Å²	86	53%	0.528	48%	0.477	S	S	.	.	H	α-helix	trans	-63.8	-48.7	177.8	-63.1	167.8	0	0	0	110	P60 E61 T66 S67 I68	P60-I64 WeakPolarHBondContact O-CG1 3.31Å; P60-I64 PolarHBondContact O-N 3.38Å; P60-I64 VanDerWaalsContact O-N 3.11Å; E61-I64 PolarHBondContact O-N 2.65Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.28Å; I64-S67 PolarHBondContact O-N 3.34Å; I64-S67 VanDerWaalsContact O-N 3.13Å; I64-S67 PolarHBondContact O-OG 2.93Å; I64-I68 HydrophobicContact CG2-CD1 3.88Å; I64-I68 HydrophobicContact CG2-CG1 4.49Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 3.48Å
65	A	57.7	Low	55	Low	4 Å²	4	92.6 Å²	92.6	3%	0.033	50%	0.499	C	S	.	.	H	α-helix	trans	-58.9	-43.9	176.8	0	0	0	0	0	112.1	F50 L54 E61 R62 S67 I68 L69	F50-A65 HydrophobicContact CE1-CB 4.09Å; F50-A65 HydrophobicContact CE2-CB 4.03Å; F50-A65 HydrophobicContact CZ-CB 3.61Å; F50-A65 VanDerWaalsContact CZ-O 3.24Å; F50-A65 WeakPolarHBondContact CZ-O 3.29Å; L54-A65 HydrophobicContact CD1-CB 4.45Å; L54-A65 HydrophobicContact CD2-CB 4.31Å; L54-A65 HydrophobicContact CG-CB 3.97Å; E61-A65 WeakPolarHBondContact O-CB 3.25Å; E61-A65 PolarHBondContact O-N 3.43Å; R62-A65 PolarHBondContact O-N 3.38Å; A65-S67 VanDerWaalsContact C-N 3.29Å; A65-S67 PolarHBondContact O-N 3.01Å; A65-I68 PolarHBondContact O-N 2.95Å; A65-L69 WeakPolarHBondContact O-CB 3.15Å; A65-L69 PolarHBondContact O-N 3.22Å
66	T	59.2	Low	54.9	Low	56 Å²	56	91.5 Å²	91.5	34%	0.344	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-39.1	177.4	-49.4	0	0	0	0	111.3	R62 L63 I64 L69 F70	R62-T66 WeakPolarHBondContact O-CB 3.3Å; R62-T66 PolarHBondContact O-N 3.46Å; R62-T66 PolarHBondContact O-OG1 3.01Å; L63-T66 PolarHBondContact O-N 3.02Å; I64-T66 VanDerWaalsContact C-N 3.33Å; I64-T66 PolarHBondContact O-N 3.28Å; T66-L69 PolarHBondContact O-N 3.37Å; T66-F70 WeakPolarHBondContact O-CB 3.26Å; T66-F70 PolarHBondContact O-N 3.49Å
67	S	58.8	Low	54.3	Low	59 Å²	59	91 Å²	91	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-66.9	-39.8	176.9	75	0	0	0	0	113.3	L63 I64 A65 F70 R71	L63-S67 PolarHBondContact O-N 3.27Å; I64-S67 PolarHBondContact O-N 3.34Å; I64-S67 VanDerWaalsContact O-N 3.13Å; I64-S67 PolarHBondContact O-OG 2.93Å; A65-S67 VanDerWaalsContact C-N 3.29Å; A65-S67 PolarHBondContact O-N 3.01Å; S67-F70 PolarHBondContact O-N 3.36Å; S67-R71 WeakPolarHBondContact O-CG 3.35Å; S67-R71 PolarHBondContact O-N 3.03Å
68	I	60.1	Low	54.2	Low	87 Å²	87	95.1 Å²	95.1	45%	0.446	50%	0.497	S	S	.	.	H	α-helix	trans	-66.2	-44.6	175.8	-67.2	167.8	0	0	0	109.3	F50 I64 A65 F70 R71 A72	F50-I68 HydrophobicContact CE2-CB 4.37Å; F50-I68 HydrophobicContact CE2-CD1 4.46Å; F50-I68 HydrophobicContact CE2-CG2 4.21Å; F50-I68 HydrophobicContact CZ-CB 4.12Å; F50-I68 HydrophobicContact CZ-CG2 4.16Å; I64-I68 HydrophobicContact CG2-CD1 3.88Å; I64-I68 HydrophobicContact CG2-CG1 4.49Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 3.48Å; A65-I68 PolarHBondContact O-N 2.95Å; I68-F70 VanDerWaalsContact C-N 3.3Å; I68-F70 PolarHBondContact O-N 3.38Å; I68-R71 PolarHBondContact O-N 2.75Å; I68-A72 VanDerWaalsContact O-CB 3.31Å; I68-A72 WeakPolarHBondContact O-CB 3.07Å; I68-A72 PolarHBondContact O-N 2.75Å
69	L	57.2	Low	53.8	Low	83 Å²	83	97.1 Å²	97.1	44%	0.435	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-37.6	177.6	-165.4	123.4	0	0	0	111.5	F50 A65 T66 A72 G73	F50-L69 HydrophobicContact CD1-CD1 4.37Å; F50-L69 HydrophobicContact CE1-CB 4.15Å; F50-L69 HydrophobicContact CE1-CD1 3.82Å; F50-L69 HydrophobicContact CZ-CB 4.49Å; A65-L69 WeakPolarHBondContact O-CB 3.15Å; A65-L69 PolarHBondContact O-N 3.22Å; T66-L69 PolarHBondContact O-N 3.37Å; L69-A72 PolarHBondContact O-N 3.46Å; L69-G73 WeakPolarHBondContact O-CA 3.41Å; L69-G73 PolarHBondContact O-N 3.45Å
70	F	54.4	Low	52.9	Low	160 Å²	160	94.8 Å²	94.8	70%	0.702	49%	0.491	S	S	*	.	H	α-helix	trans	-66.3	-42	175.2	-158.2	-90.8	0	0	0	111.7	T66 S67 I68 G74	T66-F70 WeakPolarHBondContact O-CB 3.26Å; T66-F70 PolarHBondContact O-N 3.49Å; S67-F70 PolarHBondContact O-N 3.36Å; I68-F70 VanDerWaalsContact C-N 3.3Å; I68-F70 PolarHBondContact O-N 3.38Å; F70-G74 PolarHBondContact O-N 3.29Å
71	R	53.9	Low	52.1	Low	203 Å²	203	93.5 Å²	93.5	77%	0.766	48%	0.48	S	S	*	.	H	α-helix	trans	-66	-42.7	174.8	-75	-176.2	180	-171.3	1	112.4	S67 I68 Y75	S67-R71 WeakPolarHBondContact O-CG 3.35Å; S67-R71 PolarHBondContact O-N 3.03Å; I68-R71 PolarHBondContact O-N 2.75Å; R71-Y75 PolarHBondContact O-N 2.92Å
72	A	52.4	Low	51.5	Low	62 Å²	62	96.5 Å²	96.5	51%	0.512	49%	0.492	S	S	.	.	H	α-helix	trans	-70.9	-40.6	179.1	0	0	0	0	0	112.1	I68 L69 Y75 G76	I68-A72 VanDerWaalsContact O-CB 3.31Å; I68-A72 WeakPolarHBondContact O-CB 3.07Å; I68-A72 PolarHBondContact O-N 2.75Å; L69-A72 PolarHBondContact O-N 3.46Å; A72-Y75 PolarHBondContact O-N 2.95Å; A72-G76 PolarHBondContact O-N 3.21Å
73	G	51.3	Low	50.6	Low	36 Å²	36	97.2 Å²	97.2	37%	0.371	50%	0.504	S	S	.	.	H	α-helix	trans	-62.5	-41.4	175.9	0	0	0	0	0	112.1	L69 Y75 G76 M77	L69-G73 WeakPolarHBondContact O-CA 3.41Å; L69-G73 PolarHBondContact O-N 3.45Å; G73-Y75 VanDerWaalsContact C-N 3.3Å; G73-Y75 PolarHBondContact O-N 3.37Å; G73-G76 PolarHBondContact O-N 2.96Å; G73-G76 VanDerWaalsContact O-N 3.13Å; G73-M77 WeakPolarHBondContact O-CG 3.31Å; G73-M77 PolarHBondContact O-N 3.13Å
74	G	48	Very low	49.8	Very low	35 Å²	35	96.1 Å²	96.1	36%	0.361	49%	0.492	S	S	.	.	H	α-helix	trans	-57.7	-40.9	173.1	0	0	0	0	0	112.9	F70 M77 L78	F70-G74 PolarHBondContact O-N 3.29Å; G74-M77 PolarHBondContact O-N 3.16Å; G74-L78 PolarHBondContact O-N 3.36Å
75	Y	41.1	Very low	48.8	Very low	185 Å²	185	97.5 Å²	97.5	73%	0.725	50%	0.496	S	S	*	.	H	α-helix	trans	-68.9	-36.2	175.1	-102.6	-83.3	0	0	0	113.2	R71 A72 G73 M77 L78	R71-Y75 PolarHBondContact O-N 2.92Å; A72-Y75 PolarHBondContact O-N 2.95Å; G73-Y75 VanDerWaalsContact C-N 3.3Å; G73-Y75 PolarHBondContact O-N 3.37Å; Y75-M77 VanDerWaalsContact C-N 3.34Å; Y75-L78 PolarHBondContact O-N 3.03Å
76	G	45	Very low	48.2	Very low	37 Å²	37	105.8 Å²	105.8	38%	0.381	53%	0.532	S	S	.	.	H	α-helix	trans	-63.3	-39.5	173.6	0	0	0	0	0	112.6	A72 G73 K79 I80	A72-G76 PolarHBondContact O-N 3.21Å; G73-G76 PolarHBondContact O-N 2.96Å; G73-G76 VanDerWaalsContact O-N 3.13Å; G76-K79 PolarHBondContact O-N 3.45Å; G76-I80 PolarHBondContact O-N 3.29Å
77	M	43.8	Very low	47.3	Very low	87 Å²	87	111.6 Å²	111.6	43%	0.429	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-36.5	179.4	-72.5	178.8	68.8	0	0	112.8	G73 G74 Y75 K79 I80 N81 L129	G73-M77 WeakPolarHBondContact O-CG 3.31Å; G73-M77 PolarHBondContact O-N 3.13Å; G74-M77 PolarHBondContact O-N 3.16Å; Y75-M77 VanDerWaalsContact C-N 3.34Å; M77-K79 PolarHBondContact O-N 2.78Å; M77-I80 PolarHBondContact O-N 3.47Å; M77-N81 PolarHBondContact O-N 3.47Å; M77-L129 HydrophobicContact CE-CD1 3.73Å
78	L	43.8	Very low	46.7	Very low	93 Å²	93	109.3 Å²	109.3	49%	0.487	54%	0.537	S	S	.	.	H	α-helix	trans	-59.1	-35.6	173.9	-77.2	167.8	0	0	0	112.1	G74 Y75 N81	G74-L78 PolarHBondContact O-N 3.36Å; Y75-L78 PolarHBondContact O-N 3.03Å; L78-N81 PolarHBondContact O-N 3.08Å
79	K	41.2	Very low	46.2	Very low	165 Å²	165	114 Å²	114	72%	0.717	55%	0.554	S	S	*	*	H	α-helix	trans	-73.7	-32.3	179.5	-161.2	174.3	-176	177	0	113	G76 M77	G76-K79 PolarHBondContact O-N 3.45Å; M77-K79 PolarHBondContact O-N 2.78Å
80	I	48	Very low	46	Very low	117 Å²	117	118.6 Å²	118.6	60%	0.6	57%	0.574	S	S	*	*	H	α-helix	trans	-72.7	-33.9	175.2	-62.8	172.6	0	0	0	110.4	G76 M77 F82 L83 Y84	G76-I80 PolarHBondContact O-N 3.29Å; M77-I80 PolarHBondContact O-N 3.47Å; I80-F82 VanDerWaalsContact C-N 3.27Å; I80-F82 PolarHBondContact O-N 3.4Å; I80-L83 PolarHBondContact O-N 3.03Å; I80-L83 VanDerWaalsContact O-N 3.09Å; I80-Y84 PolarHBondContact O-N 3.47Å; I80-Y84 VanDerWaalsContact O-N 3.09Å
81	N	42.8	Very low	46.1	Very low	54 Å²	54	115.9 Å²	115.9	29%	0.289	57%	0.565	S	S	.	*	H	α-helix	trans	-61.9	-35.2	180	-157.1	35.3	0	0	0	112.7	M77 L78 L83 Y84 E85	M77-N81 PolarHBondContact O-N 3.47Å; L78-N81 PolarHBondContact O-N 3.08Å; N81-L83 VanDerWaalsContact C-N 3.29Å; N81-L83 PolarHBondContact O-N 3.39Å; N81-Y84 PolarHBondContact O-N 3.47Å; N81-Y84 VanDerWaalsContact O-N 3.17Å; N81-E85 PolarHBondContact O-N 2.98Å; N81-E85 VanDerWaalsContact O-N 3.09Å
82	F	42.8	Very low	46.2	Very low	159 Å²	159	110.2 Å²	110.2	70%	0.697	54%	0.544	S	S	*	.	H	α-helix	trans	-64.5	-32.1	176.2	-161.3	-92.1	0	0	0	112.9	I80	I80-F82 VanDerWaalsContact C-N 3.27Å; I80-F82 PolarHBondContact O-N 3.4Å
83	L	38.5	Very low	46.5	Very low	135 Å²	135	113.2 Å²	113.2	71%	0.707	55%	0.55	S	S	*	*	H	α-helix	trans	-78.8	-29.7	174.7	-71.3	171.8	0	0	0	112.1	I80 N81	I80-L83 PolarHBondContact O-N 3.03Å; I80-L83 VanDerWaalsContact O-N 3.09Å; N81-L83 VanDerWaalsContact C-N 3.29Å; N81-L83 PolarHBondContact O-N 3.39Å
84	Y	44	Very low	46.9	Very low	99 Å²	99	115.2 Å²	115.2	39%	0.388	56%	0.559	S	S	.	*	H	α-helix	trans	-73.6	-28	179.9	-165.7	-101.6	0	0	0	112.9	I80 N81 F86 F87 A88	I80-Y84 PolarHBondContact O-N 3.47Å; I80-Y84 VanDerWaalsContact O-N 3.09Å; N81-Y84 PolarHBondContact O-N 3.47Å; N81-Y84 VanDerWaalsContact O-N 3.17Å; Y84-F86 PolarHBondContact O-N 3.47Å; Y84-F86 VanDerWaalsContact O-N 3.07Å; Y84-F87 PolarHBondContact O-N 3.24Å; Y84-A88 HydrophobicContact CE1-CB 4.4Å
85	E	40.8	Very low	47.7	Very low	131 Å²	131	117 Å²	117	61%	0.612	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-28.1	178.2	-163.2	175.6	179.9	0	0	113	N81 F87	N81-E85 PolarHBondContact O-N 2.98Å; N81-E85 VanDerWaalsContact O-N 3.09Å; E85-F87 PolarHBondContact O-N 2.81Å
86	F	45.8	Very low	48.8	Very low	178 Å²	178	109.8 Å²	109.8	78%	0.781	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-21.7	-173.7	-133.4	-88.4	0	0	0	115	Y84	Y84-F86 PolarHBondContact O-N 3.47Å; Y84-F86 VanDerWaalsContact O-N 3.07Å
87	F	39	Very low	49.5	Very low	178 Å²	178	113.3 Å²	113.3	78%	0.781	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-10	-161.7	-86.3	-68.6	0	0	0	118.8	Y84 E85	Y84-F87 PolarHBondContact O-N 3.24Å; E85-F87 PolarHBondContact O-N 2.81Å
88	A	46.6	Very low	50.5	Low	11 Å²	11	112.9 Å²	112.9	9%	0.091	55%	0.545	C	S	.	.			trans	-140.2	97.1	-170.3	0	0	0	0	0	112.3	Y84 I91 R92	Y84-A88 HydrophobicContact CE1-CB 4.4Å; A88-I91 HydrophobicContact CB-CB 4.31Å; A88-R92 HydrophobicContact CB-CG 4.35Å; A88-R92 WeakPolarHBondContact O-CG 3.38Å; A88-R92 PolarHBondContact O-NE 3.29Å; A88-R92 PolarHBondContact O-NH2 3.01Å
89	K	50.8	Low	51.7	Low	185 Å²	185	111.8 Å²	111.8	80%	0.804	54%	0.539	S	S	*	.	S	Bend	trans	-94.7	-36.7	164.1	-135.5	175.9	-175.1	179.3	0	112
90	E	51.6	Low	53	Low	181 Å²	181	107.1 Å²	107.1	85%	0.846	52%	0.524	S	S	*	.	S	Bend	trans	-101	-32.5	-176.6	-66.1	-170.2	159.6	0	0	114.5	R92	E90-R92 PolarHBondContact O-N 2.85Å; E90-R92 VanDerWaalsContact O-N 3.1Å
91	I	56.8	Low	53.5	Low	103 Å²	103	106.7 Å²	106.7	53%	0.528	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-21.2	179.1	-59.3	170.9	0	0	0	111.6	A88 I93 S94 L95	A88-I91 HydrophobicContact CB-CB 4.31Å; I91-I93 PolarHBondContact O-N 3.31Å; I91-S94 PolarHBondContact O-N 3.34Å; I91-L95 HydrophobicContact CG2-CB 4.45Å; I91-L95 HydrophobicContact CG2-CD1 3.87Å; I91-L95 HydrophobicContact CG2-CG 4.35Å; I91-L95 WeakPolarHBondContact O-CB 3.5Å; I91-L95 PolarHBondContact O-N 3.49Å
92	R	56.2	Low	54.3	Low	83 Å²	83	109 Å²	109	31%	0.313	53%	0.533	S	S	.	.	H	α-helix	trans	-53.8	-52.7	-173	-88.6	-171.7	-94.7	-158.8	-23.9	114.2	A88 E90 S94 L95 I96 V130	A88-R92 HydrophobicContact CB-CG 4.35Å; A88-R92 WeakPolarHBondContact O-CG 3.38Å; A88-R92 PolarHBondContact O-NE 3.29Å; A88-R92 PolarHBondContact O-NH2 3.01Å; E90-R92 PolarHBondContact O-N 2.85Å; E90-R92 VanDerWaalsContact O-N 3.1Å; R92-S94 PolarHBondContact O-N 3.29Å; R92-L95 PolarHBondContact O-N 2.81Å; R92-I96 VanDerWaalsContact O-CD1 3.31Å; R92-I96 WeakPolarHBondContact O-CD1 3.04Å; R92-I96 WeakPolarHBondContact O-CG1 3.22Å; R92-I96 PolarHBondContact O-N 3.39Å; R92-V130 HydrophobicContact CB-CG1 4.1Å; R92-V130 HydrophobicContact CG-CG1 3.73Å
93	I	57.8	Low	55.2	Low	126 Å²	126	101.9 Å²	101.9	65%	0.646	50%	0.503	S	S	*	.	H	α-helix	trans	-68.4	-42.8	-170.6	-62.9	170.5	0	0	0	110.3	I91 I96 L97	I91-I93 PolarHBondContact O-N 3.31Å; I93-I96 PolarHBondContact O-N 3.02Å; I93-L97 HydrophobicContact CG2-CD1 4.22Å; I93-L97 WeakPolarHBondContact O-CB 2.83Å; I93-L97 PolarHBondContact O-N 2.87Å
94	S	61.2	Low	56.2	Low	78 Å²	78	98 Å²	98	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-46.5	177.7	-176.6	0	0	0	0	111.3	I91 R92 I96 L97 V98	I91-S94 PolarHBondContact O-N 3.34Å; R92-S94 PolarHBondContact O-N 3.29Å; S94-I96 PolarHBondContact O-N 2.98Å; S94-L97 PolarHBondContact O-N 3.24Å; S94-V98 WeakPolarHBondContact O-CG2 2.91Å; S94-V98 PolarHBondContact O-N 2.99Å
95	L	65.2	Low	56.6	Low	71 Å²	71	96.3 Å²	96.3	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-41.9	179.7	-121.9	173	0	0	0	112.2	I91 R92 V98 L99	I91-L95 HydrophobicContact CG2-CB 4.45Å; I91-L95 HydrophobicContact CG2-CD1 3.87Å; I91-L95 HydrophobicContact CG2-CG 4.35Å; I91-L95 WeakPolarHBondContact O-CB 3.5Å; I91-L95 PolarHBondContact O-N 3.49Å; R92-L95 PolarHBondContact O-N 2.81Å; L95-V98 PolarHBondContact O-N 3.17Å; L95-L99 HydrophobicContact CD2-CD1 3.92Å; L95-L99 HydrophobicContact CD2-CG 4.07Å; L95-L99 WeakPolarHBondContact O-CB 3.17Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 2.81Å; L95-L99 PolarHBondContact O-N 3.43Å
96	I	63.5	Low	57.4	Low	34 Å²	34	94.5 Å²	94.5	17%	0.174	48%	0.481	C	S	.	.	H	α-helix	trans	-61.1	-47.6	176.3	-65.4	159.6	0	0	0	110.4	R92 I93 S94 V98 L99 V100 A127 V130	R92-I96 VanDerWaalsContact O-CD1 3.31Å; R92-I96 WeakPolarHBondContact O-CD1 3.04Å; R92-I96 WeakPolarHBondContact O-CG1 3.22Å; R92-I96 PolarHBondContact O-N 3.39Å; I93-I96 PolarHBondContact O-N 3.02Å; S94-I96 PolarHBondContact O-N 2.98Å; I96-V98 VanDerWaalsContact C-N 3.33Å; I96-V98 PolarHBondContact O-N 2.96Å; I96-L99 PolarHBondContact O-N 2.7Å; I96-V100 HydrophobicContact CG2-CG2 4.23Å; I96-V100 WeakPolarHBondContact O-CB 3.49Å; I96-V100 VanDerWaalsContact O-CG2 3.3Å; I96-V100 WeakPolarHBondContact O-CG2 3.42Å; I96-V100 PolarHBondContact O-N 2.87Å; I96-A127 HydrophobicContact CG2-CB 3.92Å; I96-V130 HydrophobicContact CD1-CB 3.59Å; I96-V130 HydrophobicContact CD1-CG1 3.2Å; I96-V130 HydrophobicContact CG1-CB 3.8Å; I96-V130 HydrophobicContact CG1-CG1 3.61Å; I96-V130 HydrophobicContact CG1-CG2 4.25Å
97	L	59.8	Low	57.8	Low	112 Å²	112	86.9 Å²	86.9	59%	0.586	45%	0.45	S	S	*	.	H	α-helix	trans	-59.9	-45	179.2	-96.4	160.9	0	0	0	111.3	I93 S94 L99 V100 L101	I93-L97 HydrophobicContact CG2-CD1 4.22Å; I93-L97 WeakPolarHBondContact O-CB 2.83Å; I93-L97 PolarHBondContact O-N 2.87Å; S94-L97 PolarHBondContact O-N 3.24Å; L97-L99 PolarHBondContact O-N 3.23Å; L97-V100 PolarHBondContact O-N 3.06Å; L97-L101 VanDerWaalsContact O-CB 3.29Å; L97-L101 WeakPolarHBondContact O-CB 3.44Å; L97-L101 PolarHBondContact O-N 3.41Å
98	V	65.1	Low	58.4	Low	78 Å²	78	85.4 Å²	85.4	47%	0.473	45%	0.449	S	S	.	.	H	α-helix	trans	-61.5	-44	176.2	172.1	0	0	0	0	111	S94 L95 I96 L101 M102	S94-V98 WeakPolarHBondContact O-CG2 2.91Å; S94-V98 PolarHBondContact O-N 2.99Å; L95-V98 PolarHBondContact O-N 3.17Å; I96-V98 VanDerWaalsContact C-N 3.33Å; I96-V98 PolarHBondContact O-N 2.96Å; V98-L101 PolarHBondContact O-N 2.89Å; V98-M102 HydrophobicContact CG1-CG 4.18Å; V98-M102 WeakPolarHBondContact O-CB 3.45Å; V98-M102 WeakPolarHBondContact O-CG 3.41Å; V98-M102 PolarHBondContact O-N 2.86Å
99	L	67.5	Low	58.8	Low	69 Å²	69	91.9 Å²	91.9	36%	0.361	48%	0.481	S	S	.	.	H	α-helix	trans	-65	-42.4	179.1	-73.9	166.6	0	0	0	112.5	L95 I96 L97 L101 M102 S103 T123 L126	L95-L99 HydrophobicContact CD2-CD1 3.92Å; L95-L99 HydrophobicContact CD2-CG 4.07Å; L95-L99 WeakPolarHBondContact O-CB 3.17Å; L95-L99 VanDerWaalsContact O-CG 3.23Å; L95-L99 WeakPolarHBondContact O-CG 2.81Å; L95-L99 PolarHBondContact O-N 3.43Å; I96-L99 PolarHBondContact O-N 2.7Å; L97-L99 PolarHBondContact O-N 3.23Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L99-M102 PolarHBondContact O-N 3.35Å; L99-S103 WeakPolarHBondContact O-CB 3.02Å; L99-S103 PolarHBondContact O-N 3.07Å; L99-T123 WeakPolarHBondContact O-CG2 3.48Å; L99-L126 HydrophobicContact CD1-CD2 3.8Å
100	V	68.6	Low	58.8	Low	68 Å²	68	86 Å²	86	41%	0.412	46%	0.456	S	S	.	.	H	α-helix	trans	-62.4	-43.7	175.3	170.9	0	0	0	0	110.2	I96 L97 S103 S104 A127	I96-V100 HydrophobicContact CG2-CG2 4.23Å; I96-V100 WeakPolarHBondContact O-CB 3.49Å; I96-V100 VanDerWaalsContact O-CG2 3.3Å; I96-V100 WeakPolarHBondContact O-CG2 3.42Å; I96-V100 PolarHBondContact O-N 2.87Å; L97-V100 PolarHBondContact O-N 3.06Å; V100-S103 PolarHBondContact O-N 3.13Å; V100-S104 PolarHBondContact O-N 2.83Å; V100-S104 PolarHBondContact O-OG 3.38Å; V100-A127 HydrophobicContact CG2-CB 4.18Å
101	L	59.2	Low	58.9	Low	107 Å²	107	83.3 Å²	83.3	56%	0.56	45%	0.453	S	S	*	.	H	α-helix	trans	-65.9	-47	179.6	-156.5	144.4	0	0	0	110.9	L97 V98 L99 S103 S104 T105	L97-L101 VanDerWaalsContact O-CB 3.29Å; L97-L101 WeakPolarHBondContact O-CB 3.44Å; L97-L101 PolarHBondContact O-N 3.41Å; V98-L101 PolarHBondContact O-N 2.89Å; L99-L101 VanDerWaalsContact C-N 3.32Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 3.28Å; L101-S104 PolarHBondContact O-N 3.5Å; L101-S104 VanDerWaalsContact O-N 3.1Å; L101-S104 PolarHBondContact O-OG 3.16Å; L101-T105 HydrophobicContact CD2-CG2 4.31Å; L101-T105 PolarHBondContact O-N 2.93Å; L101-T105 PolarHBondContact O-OG1 3.18Å
102	M	59.8	Low	58.7	Low	104 Å²	104	82.9 Å²	82.9	51%	0.512	45%	0.451	S	S	.	.	H	α-helix	trans	-59.6	-38.8	175	-73	-61.3	-66.6	0	0	112.8	V98 L99 T105 L106	V98-M102 HydrophobicContact CG1-CG 4.18Å; V98-M102 WeakPolarHBondContact O-CB 3.45Å; V98-M102 WeakPolarHBondContact O-CG 3.41Å; V98-M102 PolarHBondContact O-N 2.86Å; L99-M102 PolarHBondContact O-N 3.35Å; M102-T105 VanDerWaalsContact CA-OG1 3.31Å; M102-T105 WeakPolarHBondContact CA-OG1 3.34Å; M102-T105 PolarHBondContact O-N 3.45Å; M102-T105 PolarHBondContact O-OG1 3.27Å; M102-L106 WeakPolarHBondContact O-CB 3.35Å; M102-L106 WeakPolarHBondContact O-CG 3.13Å; M102-L106 PolarHBondContact O-N 2.91Å
103	S	62.4	Low	58.4	Low	9 Å²	9	85.7 Å²	85.7	6%	0.063	47%	0.472	C	S	.	.	H	α-helix	trans	-69.4	-38.1	175	171.9	0	0	0	0	112.6	L99 V100 L101 T105 L106 C107 T123	L99-S103 WeakPolarHBondContact O-CB 3.02Å; L99-S103 PolarHBondContact O-N 3.07Å; V100-S103 PolarHBondContact O-N 3.13Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 3.28Å; S103-T105 VanDerWaalsContact C-N 3.32Å; S103-L106 PolarHBondContact O-N 3.41Å; S103-C107 WeakPolarHBondContact O-CB 3.31Å; S103-C107 PolarHBondContact O-N 3.12Å; S103-T123 VanDerWaalsContact CB-OG1 3.29Å; S103-T123 WeakPolarHBondContact CB-OG1 3.29Å; S103-T123 PolarHBondContact OG-OG1 3.31Å
104	S	58.6	Low	58.2	Low	54 Å²	54	86.4 Å²	86.4	38%	0.378	48%	0.477	S	S	.	.	H	α-helix	trans	-65.7	-36.7	175.4	70.1	0	0	0	0	111.6	V100 L101 C107 L108	V100-S104 PolarHBondContact O-N 2.83Å; V100-S104 PolarHBondContact O-OG 3.38Å; L101-S104 PolarHBondContact O-N 3.5Å; L101-S104 VanDerWaalsContact O-N 3.1Å; L101-S104 PolarHBondContact O-OG 3.16Å; S104-C107 WeakPolarHBondContact O-CB 3.48Å; S104-C107 PolarHBondContact O-N 2.7Å; S104-L108 WeakPolarHBondContact O-CG 3.35Å; S104-L108 PolarHBondContact O-N 2.9Å
105	T	53.4	Low	57.7	Low	62 Å²	62	87.1 Å²	87.1	38%	0.38	47%	0.472	S	S	.	.	H	α-helix	trans	-70.7	-40.7	175.3	51.9	0	0	0	0	112.4	L101 M102 S103 C107 L108 L109	L101-T105 HydrophobicContact CD2-CG2 4.31Å; L101-T105 PolarHBondContact O-N 2.93Å; L101-T105 PolarHBondContact O-OG1 3.18Å; M102-T105 VanDerWaalsContact CA-OG1 3.31Å; M102-T105 WeakPolarHBondContact CA-OG1 3.34Å; M102-T105 PolarHBondContact O-N 3.45Å; M102-T105 PolarHBondContact O-OG1 3.27Å; S103-T105 VanDerWaalsContact C-N 3.32Å; T105-C107 VanDerWaalsContact C-N 3.3Å; T105-L108 PolarHBondContact O-N 2.86Å; T105-L109 PolarHBondContact O-N 3.49Å; T105-L109 VanDerWaalsContact O-N 3.1Å
106	L	57	Low	56.9	Low	94 Å²	94	86.2 Å²	86.2	49%	0.492	47%	0.465	S	S	.	.	H	α-helix	trans	-63.5	-40.6	173.4	-78.1	168.7	0	0	0	111.2	M102 S103 L108 L109 E110 V119	M102-L106 WeakPolarHBondContact O-CB 3.35Å; M102-L106 WeakPolarHBondContact O-CG 3.13Å; M102-L106 PolarHBondContact O-N 2.91Å; S103-L106 PolarHBondContact O-N 3.41Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 PolarHBondContact O-N 3Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.38Å; L106-E110 PolarHBondContact O-N 2.76Å; L106-V119 HydrophobicContact CB-CG1 4.47Å
107	C	53	Low	56.5	Low	18 Å²	18	86.9 Å²	86.9	12%	0.122	47%	0.472	C	S	.	.	H	α-helix	trans	-58.9	-43.8	174.5	-179.6	0	0	0	0	111.1	S103 S104 T105 L109 F116 T120	S103-C107 WeakPolarHBondContact O-CB 3.31Å; S103-C107 PolarHBondContact O-N 3.12Å; S104-C107 WeakPolarHBondContact O-CB 3.48Å; S104-C107 PolarHBondContact O-N 2.7Å; T105-C107 VanDerWaalsContact C-N 3.3Å; C107-L109 PolarHBondContact O-N 3.47Å; C107-F116 HydrophobicContact CB-CD1 4.42Å; C107-F116 HydrophobicContact CB-CE1 4.41Å; C107-F116 WeakPolarHBondContact O-CE1 3.19Å; C107-F116 WeakPolarHBondContact O-CZ 3.35Å; C107-F116 WeakPolarHBondContact SG-CD1 3.37Å; C107-F116 WeakPolarHBondContact SG-CE1 3.24Å; C107-T120 HydrophobicContact CB-CG2 4.32Å
108	L	52.5	Low	56.5	Low	147 Å²	147	90 Å²	90	77%	0.77	48%	0.477	S	S	*	.	H	α-helix	trans	-67.5	-24.7	174.8	-72.8	171.7	0	0	0	113.6	S104 T105 L106	S104-L108 WeakPolarHBondContact O-CG 3.35Å; S104-L108 PolarHBondContact O-N 2.9Å; T105-L108 PolarHBondContact O-N 2.86Å; L106-L108 VanDerWaalsContact C-N 3.33Å; L106-L108 PolarHBondContact O-N 3Å
109	L	55.6	Low	56.1	Low	146 Å²	146	88.1 Å²	88.1	76%	0.764	47%	0.465	S	S	*	.	H	α-helix	trans	-84.4	-31.9	-177.1	-146.7	99.2	0	0	0	112.8	T105 L106 C107	T105-L109 PolarHBondContact O-N 3.49Å; T105-L109 VanDerWaalsContact O-N 3.1Å; L106-L109 WeakPolarHBondContact O-CB 3.48Å; L106-L109 PolarHBondContact O-N 3.38Å; C107-L109 PolarHBondContact O-N 3.47Å
110	E	50	Low	55.6	Low	61 Å²	61	87.7 Å²	87.7	29%	0.285	47%	0.466	S	S	.	.			trans	-72.8	129.4	175.2	-110	161.9	-168.3	0	0	108.9	L106 Q115 F116 V119	L106-E110 PolarHBondContact O-N 2.76Å; E110-Q115 VanDerWaalsContact CD-OE1 3.31Å; E110-Q115 HydrophobicContact CG-CB 4.35Å; E110-Q115 PolarHBondContact OE1-OE1 2.85Å; E110-Q115 WeakPolarHBondContact OE2-CB 3.28Å; E110-F116 WeakPolarHBondContact O-CE2 3.41Å; E110-F116 WeakPolarHBondContact O-CZ 3.38Å; E110-V119 WeakPolarHBondContact OE2-CG2 3.31Å
111	T	54.9	Low	55.1	Low	126 Å²	126	87.4 Å²	87.4	77%	0.773	46%	0.46	S	S	*	.			trans	-89.3	-10.9	176.8	50.5	0	0	0	0	112.5
112	D	51.3	Low	55.2	Low	93 Å²	93	88.1 Å²	88.1	50%	0.497	46%	0.463	S	S	.	.			trans	-100.3	103	-170.4	-72.9	-6.8	0	0	0	111.2	N114 Q115 F116	D112-N114 PolarHBondContact O-N 2.9Å; D112-Q115 PolarHBondContact O-N 3.45Å; D112-F116 WeakPolarHBondContact O-CD2 3.43Å; D112-F116 PolarHBondContact O-N 3.38Å
113	L	51.1	Low	55	Low	143 Å²	143	84.2 Å²	84.2	75%	0.749	45%	0.445	S	S	*	.	H	α-helix	trans	-48	-26.5	179.3	-71.2	169.6	0	0	0	114.7	F116	L113-F116 HydrophobicContact CD2-CD2 4.43Å; L113-F116 WeakPolarHBondContact O-CB 3.37Å
114	N	52.9	Low	55	Low	140 Å²	140	89.1 Å²	89.1	75%	0.749	47%	0.47	S	S	*	.	H	α-helix	trans	-70.4	-33.2	176.9	-74.1	-23.6	0	0	0	112.8	D112 S117	D112-N114 PolarHBondContact O-N 2.9Å; N114-S117 PolarHBondContact O-OG 2.94Å
115	Q	51.5	Low	55	Low	93 Å²	93	89.4 Å²	89.4	44%	0.435	47%	0.467	S	S	.	.	H	α-helix	trans	-82.2	-32.4	177.1	-66.5	-178.5	-10.3	0	0	111.9	E110 D112 S117 R118 V119	E110-Q115 VanDerWaalsContact CD-OE1 3.31Å; E110-Q115 HydrophobicContact CG-CB 4.35Å; E110-Q115 PolarHBondContact OE1-OE1 2.85Å; E110-Q115 WeakPolarHBondContact OE2-CB 3.28Å; D112-Q115 PolarHBondContact O-N 3.45Å; Q115-S117 VanDerWaalsContact C-N 3.29Å; Q115-S117 PolarHBondContact O-N 3.33Å; Q115-R118 WeakPolarHBondContact O-CB 3.23Å; Q115-R118 PolarHBondContact O-N 3.03Å; Q115-V119 PolarHBondContact O-N 2.63Å; Q115-V119 VanDerWaalsContact O-N 3.13Å
116	F	47.6	Very low	55.2	Low	53 Å²	53	89.5 Å²	89.5	23%	0.232	47%	0.465	C	S	.	.	H	α-helix	trans	-47	-48.8	172.7	-92.5	-100.7	0	0	0	113.7	C107 E110 D112 L113 R118 V119 T120	C107-F116 HydrophobicContact CB-CD1 4.42Å; C107-F116 HydrophobicContact CB-CE1 4.41Å; C107-F116 WeakPolarHBondContact O-CE1 3.19Å; C107-F116 WeakPolarHBondContact O-CZ 3.35Å; C107-F116 WeakPolarHBondContact SG-CD1 3.37Å; C107-F116 WeakPolarHBondContact SG-CE1 3.24Å; E110-F116 WeakPolarHBondContact O-CE2 3.41Å; E110-F116 WeakPolarHBondContact O-CZ 3.38Å; D112-F116 WeakPolarHBondContact O-CD2 3.43Å; D112-F116 PolarHBondContact O-N 3.38Å; L113-F116 HydrophobicContact CD2-CD2 4.43Å; L113-F116 WeakPolarHBondContact O-CB 3.37Å; F116-R118 VanDerWaalsContact C-N 3.26Å; F116-R118 PolarHBondContact O-N 3.38Å; F116-V119 PolarHBondContact O-N 3.48Å; F116-T120 PolarHBondContact O-N 3.27Å; F116-T120 VanDerWaalsContact O-N 3.16Å; F116-T120 PolarHBondContact O-OG1 2.87Å
117	S	54.3	Low	55.1	Low	47 Å²	47	86 Å²	86	33%	0.329	45%	0.45	S	S	.	.	H	α-helix	trans	-61.9	-37.8	-178.1	69.2	0	0	0	0	111.3	N114 Q115 T120 Q121	N114-S117 PolarHBondContact O-OG 2.94Å; Q115-S117 VanDerWaalsContact C-N 3.29Å; Q115-S117 PolarHBondContact O-N 3.33Å; S117-T120 PolarHBondContact O-OG1 3.4Å; S117-Q121 WeakPolarHBondContact O-CB 3.43Å; S117-Q121 WeakPolarHBondContact O-CG 3.32Å; S117-Q121 PolarHBondContact O-N 3.12Å; S117-Q121 VanDerWaalsContact O-N 3.08Å; S117-Q121 PolarHBondContact O-OE1 3.44Å
118	R	60	Low	55.1	Low	178 Å²	178	88.9 Å²	88.9	67%	0.672	46%	0.464	S	S	*	.	H	α-helix	trans	-69.9	-45.3	-179.4	-100	-179.1	168.4	-176.8	-2.8	112.5	Q115 F116 Q121 L122	Q115-R118 WeakPolarHBondContact O-CB 3.23Å; Q115-R118 PolarHBondContact O-N 3.03Å; F116-R118 VanDerWaalsContact C-N 3.26Å; F116-R118 PolarHBondContact O-N 3.38Å; R118-Q121 PolarHBondContact O-N 2.82Å; R118-L122 PolarHBondContact O-N 3.16Å
119	V	56.5	Low	55.2	Low	39 Å²	39	83.8 Å²	83.8	24%	0.236	44%	0.437	C	S	.	.	H	α-helix	trans	-67.8	-48.5	-175.4	-179.4	0	0	0	0	110	L106 E110 Q115 F116 Q121 L122 T123	L106-V119 HydrophobicContact CB-CG1 4.47Å; E110-V119 WeakPolarHBondContact OE2-CG2 3.31Å; Q115-V119 PolarHBondContact O-N 2.63Å; Q115-V119 VanDerWaalsContact O-N 3.13Å; F116-V119 PolarHBondContact O-N 3.48Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 3.4Å; V119-L122 PolarHBondContact O-N 2.89Å; V119-T123 PolarHBondContact O-N 3.47Å; V119-T123 PolarHBondContact O-OG1 2.85Å
120	T	57.3	Low	55.1	Low	60 Å²	60	78.4 Å²	78.4	37%	0.368	41%	0.41	S	S	.	.	H	α-helix	trans	-63.4	-35.3	176.8	54.1	0	0	0	0	113.2	C107 F116 S117 T123 L124	C107-T120 HydrophobicContact CB-CG2 4.32Å; F116-T120 PolarHBondContact O-N 3.27Å; F116-T120 VanDerWaalsContact O-N 3.16Å; F116-T120 PolarHBondContact O-OG1 2.87Å; S117-T120 PolarHBondContact O-OG1 3.4Å; T120-T123 PolarHBondContact O-OG1 2.84Å; T120-L124 WeakPolarHBondContact O-CB 3.47Å; T120-L124 PolarHBondContact O-N 3.26Å
121	Q	58.8	Low	55	Low	61 Å²	61	84.3 Å²	84.3	29%	0.285	43%	0.43	S	S	.	.	H	α-helix	trans	-64.8	-42.9	174.1	-79.2	164.5	2.1	0	0	112.3	S117 R118 V119 L125 H147	S117-Q121 WeakPolarHBondContact O-CB 3.43Å; S117-Q121 WeakPolarHBondContact O-CG 3.32Å; S117-Q121 PolarHBondContact O-N 3.12Å; S117-Q121 VanDerWaalsContact O-N 3.08Å; S117-Q121 PolarHBondContact O-OE1 3.44Å; R118-Q121 PolarHBondContact O-N 2.82Å; V119-Q121 VanDerWaalsContact C-N 3.33Å; V119-Q121 PolarHBondContact O-N 3.4Å; Q121-L125 WeakPolarHBondContact O-CB 3.43Å; Q121-L125 PolarHBondContact O-N 3.35Å; Q121-H147 WeakPolarHBondContact CG-NE2 3.37Å; Q121-H147 PolarHBondContact NE2-NE2 2.89Å
122	L	61.1	Low	54.8	Low	122 Å²	122	84.6 Å²	84.6	64%	0.639	43%	0.426	S	S	*	.	H	α-helix	trans	-65.6	-41.5	-178.9	-167.6	78.7	0	0	0	111	R118 V119 L126	R118-L122 PolarHBondContact O-N 3.16Å; V119-L122 PolarHBondContact O-N 2.89Å; L122-L126 VanDerWaalsContact O-CB 3.28Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 2.96Å
123	T	56.4	Low	54.4	Low	22 Å²	22	86.2 Å²	86.2	14%	0.135	43%	0.431	C	S	.	.	H	α-helix	trans	-72.3	-37.5	177.7	17.6	0	0	0	0	113.5	L99 S103 V119 T120 L125 L126 A127	L99-T123 WeakPolarHBondContact O-CG2 3.48Å; S103-T123 VanDerWaalsContact CB-OG1 3.29Å; S103-T123 WeakPolarHBondContact CB-OG1 3.29Å; S103-T123 PolarHBondContact OG-OG1 3.31Å; V119-T123 PolarHBondContact O-N 3.47Å; V119-T123 PolarHBondContact O-OG1 2.85Å; T120-T123 PolarHBondContact O-OG1 2.84Å; T123-L125 VanDerWaalsContact C-N 3.33Å; T123-L126 PolarHBondContact O-N 3.32Å; T123-A127 VanDerWaalsContact O-CB 3.22Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.4Å
124	L	61	Low	54	Low	112 Å²	112	86.1 Å²	86.1	59%	0.586	43%	0.43	S	S	*	.	H	α-helix	trans	-63.6	-43.5	174.6	-167.9	88.4	0	0	0	110.5	T120 L126 A127 L128	T120-L124 WeakPolarHBondContact O-CB 3.47Å; T120-L124 PolarHBondContact O-N 3.26Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 2.65Å; L124-A127 PolarHBondContact O-N 2.96Å; L124-L128 HydrophobicContact CD2-CD1 4.3Å; L124-L128 HydrophobicContact CG-CD1 4.16Å; L124-L128 WeakPolarHBondContact O-CB 2.91Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 2.95Å
125	L	58.6	Low	53.5	Low	60 Å²	60	85.3 Å²	85.3	31%	0.314	42%	0.421	S	S	.	.	H	α-helix	trans	-60.2	-45.1	175.6	-172.9	73.4	0	0	0	110.9	Q121 T123 L128 L129	Q121-L125 WeakPolarHBondContact O-CB 3.43Å; Q121-L125 PolarHBondContact O-N 3.35Å; T123-L125 VanDerWaalsContact C-N 3.33Å; L125-L128 PolarHBondContact O-N 2.93Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CB 3.33Å; L125-L129 WeakPolarHBondContact O-CG 2.92Å; L125-L129 PolarHBondContact O-N 2.86Å
126	L	57.9	Low	53.2	Low	65 Å²	65	84.3 Å²	84.3	34%	0.34	41%	0.414	S	S	.	.	H	α-helix	trans	-66.2	-43.1	178.8	-169.5	65	0	0	0	112	L99 L122 T123 L124 L128 L129 V130	L99-L126 HydrophobicContact CD1-CD2 3.8Å; L122-L126 VanDerWaalsContact O-CB 3.28Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 2.96Å; T123-L126 PolarHBondContact O-N 3.32Å; L124-L126 VanDerWaalsContact C-N 3.33Å; L124-L126 PolarHBondContact O-N 2.65Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.13Å; L126-L129 WeakPolarHBondContact O-CB 3.26Å; L126-L129 PolarHBondContact O-N 3.43Å; L126-V130 WeakPolarHBondContact O-CG2 3.38Å; L126-V130 PolarHBondContact O-N 2.83Å
127	A	55.4	Low	53.3	Low	20 Å²	20	90.1 Å²	90.1	17%	0.165	44%	0.441	C	S	.	.	H	α-helix	trans	-63.1	-39.3	177.3	0	0	0	0	0	111.6	I96 V100 T123 L124 V130 R131	I96-A127 HydrophobicContact CG2-CB 3.92Å; V100-A127 HydrophobicContact CG2-CB 4.18Å; T123-A127 VanDerWaalsContact O-CB 3.22Å; T123-A127 WeakPolarHBondContact O-CB 3.45Å; T123-A127 PolarHBondContact O-N 3.4Å; L124-A127 PolarHBondContact O-N 2.96Å; A127-V130 PolarHBondContact O-N 3.47Å; A127-R131 WeakPolarHBondContact O-CB 3.3Å; A127-R131 PolarHBondContact O-N 3.37Å
128	L	53.2	Low	52.6	Low	79 Å²	79	91.4 Å²	91.4	41%	0.414	45%	0.45	S	S	.	.	H	α-helix	trans	-73	-37.8	177.2	-72	173.4	0	0	0	112.8	L124 L125 L126 V130 R131	L124-L128 HydrophobicContact CD2-CD1 4.3Å; L124-L128 HydrophobicContact CG-CD1 4.16Å; L124-L128 WeakPolarHBondContact O-CB 2.91Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 2.95Å; L125-L128 PolarHBondContact O-N 2.93Å; L126-L128 VanDerWaalsContact C-N 3.32Å; L126-L128 PolarHBondContact O-N 3.13Å; L128-V130 PolarHBondContact O-N 3.2Å; L128-R131 PolarHBondContact O-N 3.37Å
129	L	54.4	Low	51.7	Low	40 Å²	40	91.3 Å²	91.3	21%	0.209	45%	0.45	C	S	.	.	H	α-helix	trans	-54	-37.5	172.2	-93.8	161.7	0	0	0	111.8	M77 L125 L126 Y136	M77-L129 HydrophobicContact CE-CD1 3.73Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CB 3.33Å; L125-L129 WeakPolarHBondContact O-CG 2.92Å; L125-L129 PolarHBondContact O-N 2.86Å; L126-L129 WeakPolarHBondContact O-CB 3.26Å; L126-L129 PolarHBondContact O-N 3.43Å; L129-Y136 HydrophobicContact CD2-CE2 4.26Å; L129-Y136 WeakPolarHBondContact CD2-OH 3.37Å
130	V	54	Low	51.5	Low	32 Å²	32	91.7 Å²	91.7	19%	0.194	45%	0.451	C	S	.	.	H	α-helix	trans	-83.4	-19.9	179.9	-174.4	0	0	0	0	112.2	R92 I96 L126 A127 L128	R92-V130 HydrophobicContact CB-CG1 4.1Å; R92-V130 HydrophobicContact CG-CG1 3.73Å; I96-V130 HydrophobicContact CD1-CB 3.59Å; I96-V130 HydrophobicContact CD1-CG1 3.2Å; I96-V130 HydrophobicContact CG1-CB 3.8Å; I96-V130 HydrophobicContact CG1-CG1 3.61Å; I96-V130 HydrophobicContact CG1-CG2 4.25Å; L126-V130 WeakPolarHBondContact O-CG2 3.38Å; L126-V130 PolarHBondContact O-N 2.83Å; A127-V130 PolarHBondContact O-N 3.47Å; L128-V130 PolarHBondContact O-N 3.2Å
131	R	47.1	Very low	51	Low	186 Å²	186	91.5 Å²	91.5	70%	0.702	45%	0.452	S	S	*	.	H	α-helix	trans	-78.6	-32.7	-160	-169.7	164.2	175.8	176.9	-1.7	116.8	A127 L128	A127-R131 WeakPolarHBondContact O-CB 3.3Å; A127-R131 PolarHBondContact O-N 3.37Å; L128-R131 PolarHBondContact O-N 3.37Å
132	D	50.1	Low	50.4	Low	132 Å²	132	95.3 Å²	95.3	71%	0.706	47%	0.467	S	S	*	.			trans	-179.3	146.3	169.1	-96	-35.3	0	0	0	114.4
133	H	42.5	Very low	50.1	Low	126 Å²	126	91.8 Å²	91.8	58%	0.583	45%	0.451	S	S	*	.	S	Bend	trans	-101.4	7.1	-161.7	-135.7	-56.2	0	0	0	116.6
134	I	43.8	Very low	50.3	Low	142 Å²	142	95.8 Å²	95.8	73%	0.728	47%	0.47	S	S	*	.	S	Bend	trans	-96.5	-20.3	-165.7	-59.5	179.8	0	0	0	114.7
135	H	42.2	Very low	49.8	Very low	122 Å²	122	95.4 Å²	95.4	57%	0.565	47%	0.468	S	S	*	.	S	Bend	trans	-142.3	54.7	177.7	-74.2	-67.4	0	0	0	112.9
136	Y	45.5	Very low	49.5	Very low	73 Å²	73	94.3 Å²	94.3	29%	0.286	47%	0.465	S	S	.	.	H	α-helix	trans	-69.6	-40.4	-168.8	-166.4	-99.4	0	0	0	113.8	L129 L140	L129-Y136 HydrophobicContact CD2-CE2 4.26Å; L129-Y136 WeakPolarHBondContact CD2-OH 3.37Å; Y136-L140 HydrophobicContact CD1-CD1 4.15Å; Y136-L140 HydrophobicContact CD2-CD1 4.43Å; Y136-L140 HydrophobicContact CE1-CD1 3.38Å; Y136-L140 HydrophobicContact CE2-CD1 3.7Å; Y136-L140 WeakPolarHBondContact O-CB 3.34Å; Y136-L140 PolarHBondContact O-N 2.96Å; Y136-L140 WeakPolarHBondContact OH-CD1 3.43Å
137	E	48.1	Very low	49.4	Very low	174 Å²	174	94.6 Å²	94.6	81%	0.813	47%	0.465	S	S	*	.	H	α-helix	trans	-67.6	-44.3	-173.4	-69.4	-161.8	151.5	0	0	113.8	S141	E137-S141 WeakPolarHBondContact O-CB 3.42Å; E137-S141 PolarHBondContact O-N 2.94Å; E137-S141 VanDerWaalsContact O-N 3.17Å; E137-S141 PolarHBondContact O-OG 3.4Å
138	S	40.6	Very low	49.5	Very low	74 Å²	74	95 Å²	95	52%	0.517	47%	0.471	S	S	.	.	H	α-helix	trans	-75	-35.9	-177.3	54.8	0	0	0	0	112.4	S141 F142	S138-S141 WeakPolarHBondContact CA-OG 3.29Å; S138-S141 PolarHBondContact O-OG 3.28Å; S138-F142 WeakPolarHBondContact O-CB 3.39Å; S138-F142 PolarHBondContact O-N 3.15Å; S138-F142 VanDerWaalsContact O-N 3.12Å
139	R	42.1	Very low	49.3	Very low	176 Å²	176	96.2 Å²	96.2	66%	0.664	48%	0.477	S	S	*	.	H	α-helix	trans	-74.2	-40.4	177.9	-69.9	-175.9	179.8	-177.3	1.6	112	F142 V143	R139-F142 PolarHBondContact O-N 3.01Å; R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.42Å; R139-V143 PolarHBondContact O-N 3.39Å
140	L	51.3	Low	49.4	Very low	48 Å²	48	98.9 Å²	98.9	25%	0.251	49%	0.491	S	S	.	.	H	α-helix	trans	-72	-37.1	-178.2	-153.6	149.6	0	0	0	111.4	Y136 V143 I144	Y136-L140 HydrophobicContact CD1-CD1 4.15Å; Y136-L140 HydrophobicContact CD2-CD1 4.43Å; Y136-L140 HydrophobicContact CE1-CD1 3.38Å; Y136-L140 HydrophobicContact CE2-CD1 3.7Å; Y136-L140 WeakPolarHBondContact O-CB 3.34Å; Y136-L140 PolarHBondContact O-N 2.96Å; Y136-L140 WeakPolarHBondContact OH-CD1 3.43Å; L140-V143 PolarHBondContact O-N 3.41Å; L140-I144 HydrophobicContact CD2-CD1 3.4Å; L140-I144 HydrophobicContact CD2-CG1 3.87Å; L140-I144 VanDerWaalsContact O-CG1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.21Å; L140-I144 PolarHBondContact O-N 2.97Å
141	S	46.1	Very low	49.4	Very low	55 Å²	55	104.8 Å²	104.8	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-61.3	-44.7	169.6	49.9	0	0	0	0	111.8	E137 S138 V143 I144 I145	E137-S141 WeakPolarHBondContact O-CB 3.42Å; E137-S141 PolarHBondContact O-N 2.94Å; E137-S141 VanDerWaalsContact O-N 3.17Å; E137-S141 PolarHBondContact O-OG 3.4Å; S138-S141 WeakPolarHBondContact CA-OG 3.29Å; S138-S141 PolarHBondContact O-OG 3.28Å; S141-V143 VanDerWaalsContact C-N 3.31Å; S141-V143 PolarHBondContact O-N 2.86Å; S141-I144 PolarHBondContact O-N 3.4Å; S141-I145 WeakPolarHBondContact O-CB 3.48Å; S141-I145 WeakPolarHBondContact O-CD1 3.38Å; S141-I145 WeakPolarHBondContact O-CG1 3.21Å; S141-I145 PolarHBondContact O-N 2.93Å
142	F	46.2	Very low	49.5	Very low	141 Å²	141	100.6 Å²	100.6	62%	0.618	50%	0.501	S	S	*	.	H	α-helix	trans	-61.8	-38.9	175.3	-157.4	-91.3	0	0	0	112.3	S138 R139 I145 S146	S138-F142 WeakPolarHBondContact O-CB 3.39Å; S138-F142 PolarHBondContact O-N 3.15Å; S138-F142 VanDerWaalsContact O-N 3.12Å; R139-F142 PolarHBondContact O-N 3.01Å; F142-I145 PolarHBondContact O-N 2.92Å; F142-S146 VanDerWaalsContact O-CB 3.26Å; F142-S146 WeakPolarHBondContact O-CB 3.21Å; F142-S146 PolarHBondContact O-N 2.89Å; F142-S146 PolarHBondContact O-OG 3.38Å
143	V	54.6	Low	49.4	Very low	49 Å²	49	97.5 Å²	97.5	30%	0.297	49%	0.49	S	S	.	.	H	α-helix	trans	-67.6	-44.3	175.1	173.2	0	0	0	0	111.1	R139 L140 S141 I145 S146 H147	R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.42Å; R139-V143 PolarHBondContact O-N 3.39Å; L140-V143 PolarHBondContact O-N 3.41Å; S141-V143 VanDerWaalsContact C-N 3.31Å; S141-V143 PolarHBondContact O-N 2.86Å; V143-I145 VanDerWaalsContact C-N 3.31Å; V143-I145 PolarHBondContact O-N 3.37Å; V143-S146 WeakPolarHBondContact CA-OG 3.39Å; V143-S146 PolarHBondContact O-OG 2.94Å; V143-S146 VanDerWaalsContact O-OG 3.12Å; V143-H147 WeakPolarHBondContact O-CA 3.48Å; V143-H147 WeakPolarHBondContact O-CB 3.47Å; V143-H147 PolarHBondContact O-N 2.93Å
144	I	60.5	Low	49.7	Very low	105 Å²	105	95.8 Å²	95.8	54%	0.538	48%	0.484	S	S	.	.	H	α-helix	trans	-60.3	-42.5	175.5	-69.9	170	0	0	0	110.8	L140 S141 G148	L140-I144 HydrophobicContact CD2-CD1 3.4Å; L140-I144 HydrophobicContact CD2-CG1 3.87Å; L140-I144 VanDerWaalsContact O-CG1 3.31Å; L140-I144 WeakPolarHBondContact O-CG1 3.21Å; L140-I144 PolarHBondContact O-N 2.97Å; S141-I144 PolarHBondContact O-N 3.4Å; I144-G148 PolarHBondContact O-N 3.39Å
145	I	51.7	Low	50	Low	105 Å²	105	96.7 Å²	96.7	54%	0.538	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-51.8	-179.6	-68.1	164.9	0	0	0	110.7	S141 F142 V143 H147 G148 L149	S141-I145 WeakPolarHBondContact O-CB 3.48Å; S141-I145 WeakPolarHBondContact O-CD1 3.38Å; S141-I145 WeakPolarHBondContact O-CG1 3.21Å; S141-I145 PolarHBondContact O-N 2.93Å; F142-I145 PolarHBondContact O-N 2.92Å; V143-I145 VanDerWaalsContact C-N 3.31Å; V143-I145 PolarHBondContact O-N 3.37Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.26Å; I145-G148 PolarHBondContact O-N 3.41Å; I145-G148 VanDerWaalsContact O-N 3.14Å; I145-L149 HydrophobicContact CG2-CD1 4.03Å; I145-L149 WeakPolarHBondContact O-CG 3.28Å; I145-L149 PolarHBondContact O-N 3.01Å
146	S	51.2	Low	50.1	Low	36 Å²	36	96.2 Å²	96.2	25%	0.252	48%	0.48	S	S	.	.	H	α-helix	trans	-61.1	-38	176.7	55.5	0	0	0	0	111.6	F142 V143 L149 I150	F142-S146 VanDerWaalsContact O-CB 3.26Å; F142-S146 WeakPolarHBondContact O-CB 3.21Å; F142-S146 PolarHBondContact O-N 2.89Å; F142-S146 PolarHBondContact O-OG 3.38Å; V143-S146 WeakPolarHBondContact CA-OG 3.39Å; V143-S146 PolarHBondContact O-OG 2.94Å; V143-S146 VanDerWaalsContact O-OG 3.12Å; S146-L149 PolarHBondContact O-N 3.47Å; S146-I150 WeakPolarHBondContact O-CB 3.44Å; S146-I150 WeakPolarHBondContact O-CD1 3.39Å; S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 3.23Å
147	H	57.6	Low	50.1	Low	72 Å²	72	97.1 Å²	97.1	33%	0.333	49%	0.489	S	S	.	.	H	α-helix	trans	-64.6	-41.9	173.8	-177.5	-90.9	0	0	0	111.9	Q121 V143 I145 R151	Q121-H147 WeakPolarHBondContact CG-NE2 3.37Å; Q121-H147 PolarHBondContact NE2-NE2 2.89Å; V143-H147 WeakPolarHBondContact O-CA 3.48Å; V143-H147 WeakPolarHBondContact O-CB 3.47Å; V143-H147 PolarHBondContact O-N 2.93Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.26Å; H147-R151 WeakPolarHBondContact O-CB 3.46Å; H147-R151 PolarHBondContact O-N 2.82Å
148	G	57.2	Low	50.2	Low	28 Å²	28	92.5 Å²	92.5	29%	0.289	47%	0.472	S	S	.	.	H	α-helix	trans	-61.4	-43	172.8	0	0	0	0	0	112.4	I144 I145 N152	I144-G148 PolarHBondContact O-N 3.39Å; I145-G148 PolarHBondContact O-N 3.41Å; I145-G148 VanDerWaalsContact O-N 3.14Å; G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 VanDerWaalsContact O-CG 3.27Å; G148-N152 PolarHBondContact O-N 3.31Å
149	L	47.7	Very low	50.2	Low	104 Å²	104	90.4 Å²	90.4	55%	0.545	46%	0.463	S	S	.	.	H	α-helix	trans	-66.6	-46.3	177.6	-74.2	169	0	0	0	112.3	I145 S146 R151 N152 S153	I145-L149 HydrophobicContact CG2-CD1 4.03Å; I145-L149 WeakPolarHBondContact O-CG 3.28Å; I145-L149 PolarHBondContact O-N 3.01Å; S146-L149 PolarHBondContact O-N 3.47Å; L149-R151 VanDerWaalsContact C-N 3.35Å; L149-N152 PolarHBondContact O-N 2.87Å; L149-S153 PolarHBondContact O-N 2.86Å; L149-S153 PolarHBondContact O-OG 2.84Å
150	I	58.1	Low	50.2	Low	97 Å²	97	85.6 Å²	85.6	50%	0.497	45%	0.449	S	S	.	.	H	α-helix	trans	-65.7	-39.7	178.3	-68.1	163.4	0	0	0	110.6	S146 S153 L154	S146-I150 WeakPolarHBondContact O-CB 3.44Å; S146-I150 WeakPolarHBondContact O-CD1 3.39Å; S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 3.23Å; I150-S153 WeakPolarHBondContact CA-OG 3.3Å; I150-S153 PolarHBondContact O-N 2.97Å; I150-S153 PolarHBondContact O-OG 3.31Å; I150-L154 HydrophobicContact CG2-CD1 3.94Å; I150-L154 HydrophobicContact CG2-CG 4.46Å; I150-L154 WeakPolarHBondContact O-CB 3.36Å; I150-L154 WeakPolarHBondContact O-CG 3.21Å; I150-L154 PolarHBondContact O-N 2.91Å
151	R	52.4	Low	49.8	Very low	155 Å²	155	88 Å²	88	59%	0.585	46%	0.462	S	S	*	.	H	α-helix	trans	-64.9	-42.3	176	-171.1	178.4	-179.2	-145	-1.7	111.2	H147 L149 F155	H147-R151 WeakPolarHBondContact O-CB 3.46Å; H147-R151 PolarHBondContact O-N 2.82Å; L149-R151 VanDerWaalsContact C-N 3.35Å; R151-F155 WeakPolarHBondContact O-CB 3.2Å; R151-F155 PolarHBondContact O-N 3.43Å
152	N	49.8	Very low	49.8	Very low	98 Å²	98	88.1 Å²	88.1	52%	0.524	46%	0.463	S	S	.	.	H	α-helix	trans	-65.2	-40.3	176.2	-77.3	-5.4	0	0	0	111.7	G148 L149 F155 F156	G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 VanDerWaalsContact O-CG 3.27Å; G148-N152 PolarHBondContact O-N 3.31Å; L149-N152 PolarHBondContact O-N 2.87Å; N152-F155 PolarHBondContact O-N 2.96Å; N152-F156 WeakPolarHBondContact O-CB 3.37Å; N152-F156 PolarHBondContact O-N 3.33Å
153	S	48.5	Very low	49.5	Very low	68 Å²	68	87 Å²	87	48%	0.476	46%	0.455	S	S	.	.	H	α-helix	trans	-69.5	-38.3	178.1	65.9	0	0	0	0	112.6	L149 I150 F156 L157	L149-S153 PolarHBondContact O-N 2.86Å; L149-S153 PolarHBondContact O-OG 2.84Å; I150-S153 WeakPolarHBondContact CA-OG 3.3Å; I150-S153 PolarHBondContact O-N 2.97Å; I150-S153 PolarHBondContact O-OG 3.31Å; S153-F156 WeakPolarHBondContact O-CB 3.46Å; S153-F156 PolarHBondContact O-N 3.19Å; S153-L157 WeakPolarHBondContact O-CB 3.39Å; S153-L157 PolarHBondContact O-N 2.79Å
154	L	48.5	Very low	48.8	Very low	89 Å²	89	89.7 Å²	89.7	47%	0.466	47%	0.472	S	S	.	.	H	α-helix	trans	-65.9	-41.8	173	-78.6	169.2	0	0	0	111.8	I150 F156 L157 V158	I150-L154 HydrophobicContact CG2-CD1 3.94Å; I150-L154 HydrophobicContact CG2-CG 4.46Å; I150-L154 WeakPolarHBondContact O-CB 3.36Å; I150-L154 WeakPolarHBondContact O-CG 3.21Å; I150-L154 PolarHBondContact O-N 2.91Å; L154-F156 VanDerWaalsContact C-N 3.29Å; L154-F156 PolarHBondContact O-N 3.5Å; L154-L157 PolarHBondContact O-N 3.46Å; L154-V158 WeakPolarHBondContact O-CB 3.3Å; L154-V158 VanDerWaalsContact O-CG2 3.31Å; L154-V158 WeakPolarHBondContact O-CG2 3.29Å; L154-V158 PolarHBondContact O-N 3.4Å
155	F	51.2	Low	48	Very low	162 Å²	162	88.9 Å²	88.9	71%	0.711	48%	0.476	S	S	*	.	H	α-helix	trans	-64	-37.8	176.4	-154.1	-89.4	0	0	0	111.4	R151 N152 G159	R151-F155 WeakPolarHBondContact O-CB 3.2Å; R151-F155 PolarHBondContact O-N 3.43Å; N152-F155 PolarHBondContact O-N 2.96Å; F155-G159 PolarHBondContact O-N 2.96Å
156	F	42.6	Very low	47.3	Very low	112 Å²	112	87.9 Å²	87.9	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-63.6	-45.8	172.5	-177.4	-102.3	0	0	0	112.2	N152 S153 L154 G159 I160 F177	N152-F156 WeakPolarHBondContact O-CB 3.37Å; N152-F156 PolarHBondContact O-N 3.33Å; S153-F156 WeakPolarHBondContact O-CB 3.46Å; S153-F156 PolarHBondContact O-N 3.19Å; L154-F156 VanDerWaalsContact C-N 3.29Å; L154-F156 PolarHBondContact O-N 3.5Å; F156-G159 WeakPolarHBondContact O-CA 3.43Å; F156-G159 PolarHBondContact O-N 3.41Å; F156-I160 HydrophobicContact CD1-CD1 3.72Å; F156-I160 HydrophobicContact CE1-CD1 3.22Å; F156-I160 HydrophobicContact CE1-CG1 4.28Å; F156-I160 HydrophobicContact CE2-CD1 4.45Å; F156-I160 HydrophobicContact CZ-CD1 3.65Å; F156-I160 HydrophobicContact CZ-CG1 4.43Å; F156-I160 PolarHBondContact O-N 3.4Å; F156-F177 AromaticContact CE2-CE2 3.83Å; F156-F177 HydrophobicContact CE2-CE2 3.83Å; F156-F177 HydrophobicContact CZ-CE2 4.19Å
157	L	46.5	Very low	46.8	Very low	91 Å²	91	91.2 Å²	91.2	48%	0.476	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-46.1	177	-171.6	80.3	0	0	0	111.5	S153 L154 G159 I160 L161	S153-L157 WeakPolarHBondContact O-CB 3.39Å; S153-L157 PolarHBondContact O-N 2.79Å; L154-L157 PolarHBondContact O-N 3.46Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3.14Å; L157-I160 PolarHBondContact O-N 3.17Å; L157-L161 HydrophobicContact CD2-CD1 4.28Å; L157-L161 HydrophobicContact CG-CD1 4.04Å; L157-L161 WeakPolarHBondContact O-CB 3.38Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.17Å
158	V	49.2	Very low	46	Very low	77 Å²	77	98.3 Å²	98.3	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-62.4	-38	175.4	171.6	0	0	0	0	110.8	L154 L161 S162	L154-V158 WeakPolarHBondContact O-CB 3.3Å; L154-V158 VanDerWaalsContact O-CG2 3.31Å; L154-V158 WeakPolarHBondContact O-CG2 3.29Å; L154-V158 PolarHBondContact O-N 3.4Å; V158-L161 PolarHBondContact O-N 3.46Å; V158-S162 VanDerWaalsContact O-CB 3.26Å; V158-S162 WeakPolarHBondContact O-CB 3.41Å; V158-S162 PolarHBondContact O-N 3.16Å; V158-S162 PolarHBondContact O-OG 2.95Å
159	G	41.7	Very low	45	Very low	31 Å²	31	104.9 Å²	104.9	32%	0.32	55%	0.545	S	S	.	.	H	α-helix	trans	-58.2	-47.9	171.6	0	0	0	0	0	112.1	F155 F156 L157 S162 Y163	F155-G159 PolarHBondContact O-N 2.96Å; F156-G159 WeakPolarHBondContact O-CA 3.43Å; F156-G159 PolarHBondContact O-N 3.41Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3.14Å; G159-S162 PolarHBondContact O-N 3.11Å; G159-Y163 WeakPolarHBondContact O-CD2 3.04Å; G159-Y163 PolarHBondContact O-N 3.34Å
160	I	41.2	Very low	44.6	Very low	74 Å²	74	105 Å²	105	38%	0.379	55%	0.546	S	S	.	.	H	α-helix	trans	-64.6	-45.8	177.6	-68.9	172.3	0	0	0	111.8	F156 L157 S162 Y163 T164	F156-I160 HydrophobicContact CD1-CD1 3.72Å; F156-I160 HydrophobicContact CE1-CD1 3.22Å; F156-I160 HydrophobicContact CE1-CG1 4.28Å; F156-I160 HydrophobicContact CE2-CD1 4.45Å; F156-I160 HydrophobicContact CZ-CD1 3.65Å; F156-I160 HydrophobicContact CZ-CG1 4.43Å; F156-I160 PolarHBondContact O-N 3.4Å; L157-I160 PolarHBondContact O-N 3.17Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 2.72Å; I160-Y163 WeakPolarHBondContact O-CA 3.39Å; I160-Y163 VanDerWaalsContact O-CB 3.24Å; I160-Y163 WeakPolarHBondContact O-CB 3.46Å; I160-Y163 PolarHBondContact O-N 3.48Å; I160-Y163 VanDerWaalsContact O-N 3.12Å; I160-T164 PolarHBondContact O-N 3.31Å
161	L	44.3	Very low	43.9	Very low	99 Å²	99	110.1 Å²	110.1	52%	0.518	57%	0.565	S	S	.	*	H	α-helix	trans	-66	-33.8	178.7	-71.1	169.8	0	0	0	111.9	L157 V158 Y163 T164 S165	L157-L161 HydrophobicContact CD2-CD1 4.28Å; L157-L161 HydrophobicContact CG-CD1 4.04Å; L157-L161 WeakPolarHBondContact O-CB 3.38Å; L157-L161 WeakPolarHBondContact O-CG 3.48Å; L157-L161 PolarHBondContact O-N 3.17Å; V158-L161 PolarHBondContact O-N 3.46Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; L161-T164 PolarHBondContact O-N 3.22Å; L161-T164 PolarHBondContact O-OG1 2.99Å; L161-S165 PolarHBondContact O-N 2.67Å
162	S	45.3	Very low	43.5	Very low	57 Å²	57	112.1 Å²	112.1	40%	0.399	57%	0.574	S	S	.	*	H	α-helix	trans	-65.6	-41.4	172	-59.4	0	0	0	0	110.3	V158 G159 I160 T164 S165 T166	V158-S162 VanDerWaalsContact O-CB 3.26Å; V158-S162 WeakPolarHBondContact O-CB 3.41Å; V158-S162 PolarHBondContact O-N 3.16Å; V158-S162 PolarHBondContact O-OG 2.95Å; G159-S162 PolarHBondContact O-N 3.11Å; I160-S162 VanDerWaalsContact C-N 3.3Å; I160-S162 PolarHBondContact O-N 2.72Å; S162-T164 VanDerWaalsContact C-N 3.32Å; S162-T164 PolarHBondContact O-N 3.17Å; S162-S165 PolarHBondContact O-N 2.91Å; S162-S165 VanDerWaalsContact O-N 3.11Å; S162-S165 PolarHBondContact O-OG 3.47Å; S162-T166 PolarHBondContact O-N 3.3Å; S162-T166 VanDerWaalsContact O-N 3.08Å; S162-T166 PolarHBondContact O-OG1 3.48Å; S162-T166 VanDerWaalsContact O-OG1 3.11Å
163	Y	39.7	Very low	43.1	Very low	117 Å²	117	111.6 Å²	111.6	46%	0.459	57%	0.571	S	S	.	*	H	α-helix	trans	-59	-38.7	174.6	-101	-74.2	0	0	0	113.3	G159 I160 L161 S165 N173	G159-Y163 WeakPolarHBondContact O-CD2 3.04Å; G159-Y163 PolarHBondContact O-N 3.34Å; I160-Y163 WeakPolarHBondContact O-CA 3.39Å; I160-Y163 VanDerWaalsContact O-CB 3.24Å; I160-Y163 WeakPolarHBondContact O-CB 3.46Å; I160-Y163 PolarHBondContact O-N 3.48Å; I160-Y163 VanDerWaalsContact O-N 3.12Å; L161-Y163 VanDerWaalsContact C-N 3.33Å; Y163-S165 VanDerWaalsContact C-N 3.31Å; Y163-N173 WeakPolarHBondContact OH-CB 3.33Å
164	T	40.3	Very low	42.6	Very low	106 Å²	106	116.3 Å²	116.3	65%	0.65	58%	0.579	S	S	*	*	H	α-helix	trans	-71.8	-27.3	176.8	57.9	0	0	0	0	112.4	I160 L161 S162	I160-T164 PolarHBondContact O-N 3.31Å; L161-T164 PolarHBondContact O-N 3.22Å; L161-T164 PolarHBondContact O-OG1 2.99Å; S162-T164 VanDerWaalsContact C-N 3.32Å; S162-T164 PolarHBondContact O-N 3.17Å
165	S	42.7	Very low	42.5	Very low	88 Å²	88	115.7 Å²	115.7	62%	0.615	58%	0.583	S	S	*	*	H	α-helix	trans	-82.3	-24.5	178.2	70.5	0	0	0	0	114.8	L161 S162 Y163	L161-S165 PolarHBondContact O-N 2.67Å; S162-S165 PolarHBondContact O-N 2.91Å; S162-S165 VanDerWaalsContact O-N 3.11Å; S162-S165 PolarHBondContact O-OG 3.47Å; Y163-S165 VanDerWaalsContact C-N 3.31Å
166	T	37.9	Very low	42.2	Very low	84 Å²	84	111.9 Å²	111.9	52%	0.515	57%	0.573	S	S	.	*			trans	-113.7	75.1	-176.6	58.6	0	0	0	0	111.9	S162 R168	S162-T166 PolarHBondContact O-N 3.3Å; S162-T166 VanDerWaalsContact O-N 3.08Å; S162-T166 PolarHBondContact O-OG1 3.48Å; S162-T166 VanDerWaalsContact O-OG1 3.11Å; T166-R168 PolarHBondContact O-N 2.9Å; T166-R168 VanDerWaalsContact O-N 3.09Å
167	S	41	Very low	42.3	Very low	107 Å²	107	111.4 Å²	111.4	75%	0.748	57%	0.571	S	S	*	*	S	Bend	trans	-66.9	-0.5	175.5	59.8	0	0	0	0	114.9
168	R	40.8	Very low	42	Very low	220 Å²	220	113.6 Å²	113.6	83%	0.83	58%	0.576	S	S	*	*	S	Bend	trans	-151.8	80.1	177.7	-63.1	-176.8	-150.3	150.5	7.4	112.9	T166	T166-R168 PolarHBondContact O-N 2.9Å; T166-R168 VanDerWaalsContact O-N 3.09Å
169	H	36.3	Very low	41.8	Very low	166 Å²	166	117.9 Å²	117.9	77%	0.769	59%	0.585	S	S	*	*	S	Bend	trans	159.8	101.3	142.2	-93.8	-55.1	0	0	0	109.8
170	N	39.2	Very low	41.7	Very low	108 Å²	108	123.3 Å²	123.3	58%	0.578	60%	0.596	S	S	*	*				157.3	96	128.3	-79.8	-23.5	0	0	0	110.6	Y172 N173	N170-Y172 PolarHBondContact O-N 3.37Å; N170-N173 PolarHBondContact O-N 2.81Å
171	K	42.8	Very low	41.5	Very low	204 Å²	204	122.6 Å²	122.6	89%	0.887	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-8.6	167.4	-78.7	177.4	172.1	176.3	0	113.6
172	Y	43.7	Very low	41.4	Very low	197 Å²	197	121.5 Å²	121.5	77%	0.773	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-16.9	-179.5	-79.5	-78.6	0	0	0	115.1	N170 S175	N170-Y172 PolarHBondContact O-N 3.37Å; Y172-S175 PolarHBondContact O-OG 2.83Å
173	N	41.2	Very low	41.3	Very low	87 Å²	87	121.8 Å²	121.8	47%	0.465	59%	0.594	S	S	.	*	S	Bend	trans	-94.6	-8.6	-177.9	-74	-9.1	0	0	0	114.7	Y163 N170 S175 T176 F177	Y163-N173 WeakPolarHBondContact OH-CB 3.33Å; N170-N173 PolarHBondContact O-N 2.81Å; N173-S175 VanDerWaalsContact C-N 3.28Å; N173-S175 PolarHBondContact O-N 2.83Å; N173-T176 PolarHBondContact O-OG1 3.43Å; N173-T176 VanDerWaalsContact O-OG1 3.04Å; N173-F177 PolarHBondContact O-N 2.87Å
174	Y	38.5	Very low	41	Very low	166 Å²	166	123.2 Å²	123.2	65%	0.651	60%	0.603	S	S	*	*	H	α-helix	trans	-68.7	-28.9	177.8	-165.8	-98.5	0	0	0	112.2	K178	Y174-K178 PolarHBondContact O-N 3.44Å; Y174-K178 VanDerWaalsContact O-N 3.09Å
175	S	45.9	Very low	40.7	Very low	77 Å²	77	122.4 Å²	122.4	54%	0.538	61%	0.607	S	S	.	*	H	α-helix	trans	-69.9	-39.4	179.7	57.4	0	0	0	0	112.5	Y172 N173 K178 Y179	Y172-S175 PolarHBondContact O-OG 2.83Å; N173-S175 VanDerWaalsContact C-N 3.28Å; N173-S175 PolarHBondContact O-N 2.83Å; S175-K178 PolarHBondContact O-N 2.94Å; S175-Y179 WeakPolarHBondContact O-CB 3.48Å; S175-Y179 PolarHBondContact O-N 3.38Å
176	T	46.4	Very low	40.3	Very low	82 Å²	82	123.5 Å²	123.5	50%	0.503	61%	0.613	S	S	.	*	H	α-helix	trans	-67.9	-39.2	177.3	22.8	0	0	0	0	112	N173 Y179 W180	N173-T176 PolarHBondContact O-OG1 3.43Å; N173-T176 VanDerWaalsContact O-OG1 3.04Å; T176-Y179 PolarHBondContact O-N 2.91Å; T176-W180 PolarHBondContact O-N 2.97Å
177	F	43.5	Very low	40.1	Very low	101 Å²	101	127.4 Å²	127.4	44%	0.443	62%	0.62	S	S	.	*	H	α-helix	trans	-64.4	-45.1	174.3	-174.6	-98.6	0	0	0	111.9	F156 N173 Y179 W180 C181	F156-F177 AromaticContact CE2-CE2 3.83Å; F156-F177 HydrophobicContact CE2-CE2 3.83Å; F156-F177 HydrophobicContact CZ-CE2 4.19Å; N173-F177 PolarHBondContact O-N 2.87Å; F177-Y179 VanDerWaalsContact C-N 3.33Å; F177-Y179 PolarHBondContact O-N 2.94Å; F177-W180 PolarHBondContact O-N 3.42Å; F177-C181 VanDerWaalsContact CE1-SG 3.59Å; F177-C181 PolarHBondContact O-N 3.25Å
178	K	41.5	Very low	39.8	Very low	137 Å²	137	128.4 Å²	128.4	60%	0.596	62%	0.617	S	S	*	*	H	α-helix	trans	-60.7	-42.2	176.3	-169.4	175.5	-178.6	-179.9	0	111.7	Y174 S175 W180 C181 T182	Y174-K178 PolarHBondContact O-N 3.44Å; Y174-K178 VanDerWaalsContact O-N 3.09Å; S175-K178 PolarHBondContact O-N 2.94Å; K178-W180 VanDerWaalsContact C-N 3.32Å; K178-W180 PolarHBondContact O-N 2.87Å; K178-C181 PolarHBondContact O-N 2.87Å; K178-T182 WeakPolarHBondContact O-CG2 3.38Å; K178-T182 PolarHBondContact O-N 2.88Å; K178-T182 PolarHBondContact O-OG1 3.32Å; K178-T182 VanDerWaalsContact O-OG1 3.1Å
179	Y	43.9	Very low	39.8	Very low	167 Å²	167	126 Å²	126	66%	0.655	62%	0.615	S	S	*	*	H	α-helix	trans	-62.3	-39.4	177	-162.7	-94.3	0	0	0	112	S175 T176 F177 T182 T183	S175-Y179 WeakPolarHBondContact O-CB 3.48Å; S175-Y179 PolarHBondContact O-N 3.38Å; T176-Y179 PolarHBondContact O-N 2.91Å; F177-Y179 VanDerWaalsContact C-N 3.33Å; F177-Y179 PolarHBondContact O-N 2.94Å; Y179-T182 WeakPolarHBondContact CA-OG1 3.41Å; Y179-T182 PolarHBondContact O-OG1 2.93Å; Y179-T183 PolarHBondContact O-N 3.43Å; Y179-T183 PolarHBondContact O-OG1 3.27Å
180	W	39.5	Very low	40.1	Very low	145 Å²	145	127.3 Å²	127.3	55%	0.549	62%	0.619	S	S	.	*	H	α-helix	trans	-66.7	-47.1	175.4	-93.9	58.6	0	0	0	112.3	T176 F177 K178 T182 T183 F184	T176-W180 PolarHBondContact O-N 2.97Å; F177-W180 PolarHBondContact O-N 3.42Å; K178-W180 VanDerWaalsContact C-N 3.32Å; K178-W180 PolarHBondContact O-N 2.87Å; W180-T182 VanDerWaalsContact C-N 3.31Å; W180-T182 PolarHBondContact O-N 3.41Å; W180-T183 PolarHBondContact O-N 2.98Å; W180-T183 VanDerWaalsContact O-N 3.11Å; W180-F184 HydrophobicContact CE3-CD2 4.4Å; W180-F184 AromaticContact CE3-CE2 3.6Å; W180-F184 HydrophobicContact CE3-CE2 3.6Å; W180-F184 AromaticContact CZ3-CE2 3.83Å; W180-F184 HydrophobicContact CZ3-CE2 3.83Å; W180-F184 HydrophobicContact CZ3-CZ 4.34Å; W180-F184 WeakPolarHBondContact O-CD2 3.42Å; W180-F184 PolarHBondContact O-N 3.45Å
181	C	36.6	Very low	40.6	Very low	60 Å²	60	124.9 Å²	124.9	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-60.7	-39	177.5	-70.9	0	0	0	0	112.5	F177 K178 T183 F184 A185	F177-C181 VanDerWaalsContact CE1-SG 3.59Å; F177-C181 PolarHBondContact O-N 3.25Å; K178-C181 PolarHBondContact O-N 2.87Å; C181-T183 VanDerWaalsContact C-N 3.34Å; C181-F184 PolarHBondContact O-N 2.69Å; C181-A185 WeakPolarHBondContact O-CB 3.34Å; C181-A185 PolarHBondContact O-N 3.4Å
182	T	43.1	Very low	40.8	Very low	75 Å²	75	122.5 Å²	122.5	46%	0.46	60%	0.597	S	S	.	*	H	α-helix	trans	-68.8	-33.7	175.6	51.2	0	0	0	0	112.4	K178 Y179 W180 F184 A185 C186	K178-T182 WeakPolarHBondContact O-CG2 3.38Å; K178-T182 PolarHBondContact O-N 2.88Å; K178-T182 PolarHBondContact O-OG1 3.32Å; K178-T182 VanDerWaalsContact O-OG1 3.1Å; Y179-T182 WeakPolarHBondContact CA-OG1 3.41Å; Y179-T182 PolarHBondContact O-OG1 2.93Å; W180-T182 VanDerWaalsContact C-N 3.31Å; W180-T182 PolarHBondContact O-N 3.41Å; T182-F184 VanDerWaalsContact C-N 3.34Å; T182-A185 PolarHBondContact O-N 2.91Å; T182-C186 PolarHBondContact O-N 2.87Å
183	T	42.3	Very low	41.2	Very low	64 Å²	64	119.2 Å²	119.2	39%	0.393	59%	0.587	S	S	.	*	H	α-helix	trans	-67.2	-37.7	175.7	-45.8	0	0	0	0	110.6	Y179 W180 C181 Y187	Y179-T183 PolarHBondContact O-N 3.43Å; Y179-T183 PolarHBondContact O-OG1 3.27Å; W180-T183 PolarHBondContact O-N 2.98Å; W180-T183 VanDerWaalsContact O-N 3.11Å; C181-T183 VanDerWaalsContact C-N 3.34Å; T183-Y187 WeakPolarHBondContact O-CD2 3.18Å
184	F	34.7	Very low	41.9	Very low	147 Å²	147	119.5 Å²	119.5	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-73.5	-36.2	176.1	-83.4	-74.2	0	0	0	113.7	W180 C181 T182 C186	W180-F184 HydrophobicContact CE3-CD2 4.4Å; W180-F184 AromaticContact CE3-CE2 3.6Å; W180-F184 HydrophobicContact CE3-CE2 3.6Å; W180-F184 AromaticContact CZ3-CE2 3.83Å; W180-F184 HydrophobicContact CZ3-CE2 3.83Å; W180-F184 HydrophobicContact CZ3-CZ 4.34Å; W180-F184 WeakPolarHBondContact O-CD2 3.42Å; W180-F184 PolarHBondContact O-N 3.45Å; C181-F184 PolarHBondContact O-N 2.69Å; T182-F184 VanDerWaalsContact C-N 3.34Å; F184-C186 VanDerWaalsContact C-N 3.31Å; F184-C186 PolarHBondContact O-N 2.87Å
185	A	33.7	Very low	42.9	Very low	89 Å²	89	117.8 Å²	117.8	74%	0.736	59%	0.586	S	S	*	*	H	α-helix	trans	-71.8	-21.6	-178.3	0	0	0	0	0	113.9	C181 T182	C181-A185 WeakPolarHBondContact O-CB 3.34Å; C181-A185 PolarHBondContact O-N 3.4Å; T182-A185 PolarHBondContact O-N 2.91Å
186	C	33.2	Very low	43.7	Very low	110 Å²	110	120.6 Å²	120.6	74%	0.743	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	2.8	-175.6	-135	0	0	0	0	114.5	T182 F184 D188	T182-C186 PolarHBondContact O-N 2.87Å; F184-C186 VanDerWaalsContact C-N 3.31Å; F184-C186 PolarHBondContact O-N 2.87Å; C186-D188 PolarHBondContact O-N 3.34Å
187	Y	34.9	Very low	44.4	Very low	166 Å²	166	121.3 Å²	121.3	65%	0.651	58%	0.583	S	S	*	*			trans	-95.4	92.9	-178.1	-95.3	-90.5	0	0	0	112.4	T183	T183-Y187 WeakPolarHBondContact O-CD2 3.18Å
188	D	34.4	Very low	45.3	Very low	129 Å²	129	119 Å²	119	69%	0.69	58%	0.577	S	S	*	*			trans	-27.6	164	170.3	-141.9	-6.3	0	0	0	120.1	C186 K190 N191	C186-D188 PolarHBondContact O-N 3.34Å; D188-K190 PolarHBondContact O-N 3.5Å; D188-N191 PolarHBondContact O-N 3.21Å; D188-N191 VanDerWaalsContact O-N 3.14Å
189	E	41.7	Very low	46.7	Very low	170 Å²	170	118.7 Å²	118.7	79%	0.794	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.5	-27.4	-168	-73	-179.8	150.6	0	0	117.7	N191 H192	E189-N191 PolarHBondContact O-N 3.46Å; E189-N191 VanDerWaalsContact O-N 3.12Å; E189-H192 PolarHBondContact O-N 3.34Å; E189-H192 VanDerWaalsContact O-N 3.09Å
190	K	42.6	Very low	48	Very low	193 Å²	193	112.3 Å²	112.3	84%	0.839	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	-22.6	177.8	-75.3	-179.4	178.2	172.6	0	113.4	D188	D188-K190 PolarHBondContact O-N 3.5Å
191	N	48.6	Very low	49.2	Very low	57 Å²	57	108.4 Å²	108.4	31%	0.305	55%	0.548	S	S	.	.	H	α-helix	trans	-83	-10	177.9	-82.4	-11.4	0	0	0	114.6	D188 E189 F193 I194 H195	D188-N191 PolarHBondContact O-N 3.21Å; D188-N191 VanDerWaalsContact O-N 3.14Å; E189-N191 PolarHBondContact O-N 3.46Å; E189-N191 VanDerWaalsContact O-N 3.12Å; N191-F193 PolarHBondContact O-N 3.33Å; N191-I194 PolarHBondContact O-N 3.13Å; N191-I194 VanDerWaalsContact O-N 3.08Å; N191-I194 WeakPolarHBondContact OD1-CD1 3.43Å; N191-H195 WeakPolarHBondContact O-CB 3.45Å; N191-H195 PolarHBondContact O-N 2.85Å
192	H	46.4	Very low	50.9	Low	153 Å²	153	110.8 Å²	110.8	71%	0.708	56%	0.555	S	S	*	*	H	α-helix	trans	-61.1	-34.8	177.3	-151.3	-103	0	0	0	111	E189 Y196	E189-H192 PolarHBondContact O-N 3.34Å; E189-H192 VanDerWaalsContact O-N 3.09Å; H192-Y196 VanDerWaalsContact O-CB 3.27Å; H192-Y196 WeakPolarHBondContact O-CB 3.31Å; H192-Y196 PolarHBondContact O-N 3.04Å
193	F	52.3	Low	52.2	Low	128 Å²	128	111.7 Å²	111.7	56%	0.561	56%	0.557	S	S	*	*	H	α-helix	trans	-63.6	-47.9	172.3	-176.1	-99.4	0	0	0	112.3	N191 H195 Y196 H197	N191-F193 PolarHBondContact O-N 3.33Å; F193-H195 PolarHBondContact O-N 3.08Å; F193-Y196 PolarHBondContact O-N 3.42Å; F193-H197 AromaticContact CZ-CD2 3.66Å; F193-H197 WeakPolarHBondContact O-CB 3.49Å; F193-H197 PolarHBondContact O-N 3.47Å
194	I	56.2	Low	53.6	Low	93 Å²	93	114.1 Å²	114.1	48%	0.477	56%	0.562	S	S	.	*	H	α-helix	trans	-65.4	-42.1	-179.7	-67.1	166.2	0	0	0	110.6	N191 H197 T198	N191-I194 PolarHBondContact O-N 3.13Å; N191-I194 VanDerWaalsContact O-N 3.08Å; N191-I194 WeakPolarHBondContact OD1-CD1 3.43Å; I194-H197 PolarHBondContact O-N 3.03Å; I194-T198 HydrophobicContact CG2-CG2 4.32Å; I194-T198 WeakPolarHBondContact O-CB 3.47Å; I194-T198 WeakPolarHBondContact O-CG2 3.39Å; I194-T198 PolarHBondContact O-N 3.38Å; I194-T198 PolarHBondContact O-OG1 3.23Å
195	H	59.3	Low	55.3	Low	131 Å²	131	114.2 Å²	114.2	61%	0.606	56%	0.563	S	S	*	*	H	α-helix	trans	-63.1	-44	175.6	-104.3	-83.8	0	0	0	111.9	N191 F193 H197 T198 F199	N191-H195 WeakPolarHBondContact O-CB 3.45Å; N191-H195 PolarHBondContact O-N 2.85Å; F193-H195 PolarHBondContact O-N 3.08Å; H195-H197 PolarHBondContact O-N 3.09Å; H195-T198 WeakPolarHBondContact CA-OG1 3.2Å; H195-T198 PolarHBondContact O-OG1 2.93Å; H195-F199 WeakPolarHBondContact O-CB 3.48Å; H195-F199 PolarHBondContact O-N 2.99Å
196	Y	63.9	Low	57.1	Low	136 Å²	136	117.8 Å²	117.8	53%	0.533	56%	0.558	S	S	.	*	H	α-helix	trans	-63.9	-42.8	177.1	-173.1	-96.9	0	0	0	111.7	H192 F193 F199 S200	H192-Y196 VanDerWaalsContact O-CB 3.27Å; H192-Y196 WeakPolarHBondContact O-CB 3.31Å; H192-Y196 PolarHBondContact O-N 3.04Å; F193-Y196 PolarHBondContact O-N 3.42Å; Y196-F199 PolarHBondContact O-N 3.44Å; Y196-S200 VanDerWaalsContact O-CB 3.25Å; Y196-S200 WeakPolarHBondContact O-CB 3.41Å; Y196-S200 PolarHBondContact O-N 2.83Å
197	H	60	Low	58.8	Low	97 Å²	97	115.1 Å²	115.1	45%	0.449	54%	0.541	S	S	.	.	H	α-helix	trans	-70	-39.8	-179.6	-130.4	-69.4	0	0	0	112.5	F193 I194 H195 T201	F193-H197 AromaticContact CZ-CD2 3.66Å; F193-H197 WeakPolarHBondContact O-CB 3.49Å; F193-H197 PolarHBondContact O-N 3.47Å; I194-H197 PolarHBondContact O-N 3.03Å; H195-H197 PolarHBondContact O-N 3.09Å; H197-T201 WeakPolarHBondContact O-CB 3.36Å; H197-T201 VanDerWaalsContact O-CG2 3.29Å; H197-T201 WeakPolarHBondContact O-CG2 3.25Å; H197-T201 PolarHBondContact O-N 2.88Å; H197-T201 PolarHBondContact O-OG1 3.49Å
198	T	63.6	Low	60.6	Low	52 Å²	52	111.4 Å²	111.4	32%	0.319	53%	0.532	S	S	.	.	H	α-helix	trans	-66.9	-41.8	174.4	47.3	0	0	0	0	111.2	I194 H195 T201 I202	I194-T198 HydrophobicContact CG2-CG2 4.32Å; I194-T198 WeakPolarHBondContact O-CB 3.47Å; I194-T198 WeakPolarHBondContact O-CG2 3.39Å; I194-T198 PolarHBondContact O-N 3.38Å; I194-T198 PolarHBondContact O-OG1 3.23Å; H195-T198 WeakPolarHBondContact CA-OG1 3.2Å; H195-T198 PolarHBondContact O-OG1 2.93Å; T198-T201 VanDerWaalsContact CA-OG1 3.3Å; T198-T201 WeakPolarHBondContact CA-OG1 3.33Å; T198-T201 PolarHBondContact O-N 3.36Å; T198-T201 PolarHBondContact O-OG1 2.8Å; T198-I202 WeakPolarHBondContact O-CB 3.34Å; T198-I202 WeakPolarHBondContact O-CD1 3.45Å; T198-I202 WeakPolarHBondContact O-CG1 3.41Å; T198-I202 PolarHBondContact O-N 2.73Å
199	F	71	Confident	62	Low	130 Å²	130	107.9 Å²	107.9	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-45.7	175.6	-172.9	-105.7	0	0	0	112.3	H195 Y196 T201 I202 L203	H195-F199 WeakPolarHBondContact O-CB 3.48Å; H195-F199 PolarHBondContact O-N 2.99Å; Y196-F199 PolarHBondContact O-N 3.44Å; F199-T201 VanDerWaalsContact C-N 3.34Å; F199-T201 PolarHBondContact O-N 3.32Å; F199-I202 PolarHBondContact O-N 3.45Å; F199-L203 HydrophobicContact CD1-CD1 3.82Å; F199-L203 HydrophobicContact CE1-CD1 3.21Å; F199-L203 HydrophobicContact CE2-CD1 4.19Å; F199-L203 HydrophobicContact CZ-CD1 3.43Å; F199-L203 VanDerWaalsContact CZ-CD1 3.43Å; F199-L203 PolarHBondContact O-N 3.4Å
200	S	69.4	Low	63.5	Low	34 Å²	34	106.5 Å²	106.5	24%	0.238	51%	0.509	C	S	.	.	H	α-helix	trans	-60.3	-41.4	176.5	-176.8	0	0	0	0	112.2	Y196 L203 K204	Y196-S200 VanDerWaalsContact O-CB 3.25Å; Y196-S200 WeakPolarHBondContact O-CB 3.41Å; Y196-S200 PolarHBondContact O-N 2.83Å; S200-L203 PolarHBondContact O-N 2.82Å; S200-K204 VanDerWaalsContact O-CG 3.3Å; S200-K204 WeakPolarHBondContact O-CG 3.46Å; S200-K204 PolarHBondContact O-N 3.37Å
201	T	66.1	Low	64.8	Low	62 Å²	62	101.6 Å²	101.6	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-68.5	-39.2	177.3	46.8	0	0	0	0	112.4	H197 T198 F199 K204 F205	H197-T201 WeakPolarHBondContact O-CB 3.36Å; H197-T201 VanDerWaalsContact O-CG2 3.29Å; H197-T201 WeakPolarHBondContact O-CG2 3.25Å; H197-T201 PolarHBondContact O-N 2.88Å; H197-T201 PolarHBondContact O-OG1 3.49Å; T198-T201 VanDerWaalsContact CA-OG1 3.3Å; T198-T201 WeakPolarHBondContact CA-OG1 3.33Å; T198-T201 PolarHBondContact O-N 3.36Å; T198-T201 PolarHBondContact O-OG1 2.8Å; F199-T201 VanDerWaalsContact C-N 3.34Å; F199-T201 PolarHBondContact O-N 3.32Å; T201-K204 PolarHBondContact O-N 2.97Å; T201-F205 WeakPolarHBondContact O-CB 3.25Å; T201-F205 PolarHBondContact O-N 2.85Å
202	I	71.2	Confident	65.7	Low	110 Å²	110	102.9 Å²	102.9	56%	0.564	49%	0.494	S	S	*	.	H	α-helix	trans	-62.9	-43.8	173.8	-69.1	164.1	0	0	0	111	T198 F199 K204 F205 Y206	T198-I202 WeakPolarHBondContact O-CB 3.34Å; T198-I202 WeakPolarHBondContact O-CD1 3.45Å; T198-I202 WeakPolarHBondContact O-CG1 3.41Å; T198-I202 PolarHBondContact O-N 2.73Å; F199-I202 PolarHBondContact O-N 3.45Å; I202-K204 PolarHBondContact O-N 3.47Å; I202-F205 PolarHBondContact O-N 3.18Å; I202-Y206 WeakPolarHBondContact O-CB 3.43Å; I202-Y206 PolarHBondContact O-N 2.93Å
203	L	70.5	Confident	66.7	Low	94 Å²	94	100.7 Å²	100.7	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-63.4	-40.8	178.2	-120	134.3	0	0	0	112	F199 S200 Y206 S207	F199-L203 HydrophobicContact CD1-CD1 3.82Å; F199-L203 HydrophobicContact CE1-CD1 3.21Å; F199-L203 HydrophobicContact CE2-CD1 4.19Å; F199-L203 HydrophobicContact CZ-CD1 3.43Å; F199-L203 VanDerWaalsContact CZ-CD1 3.43Å; F199-L203 PolarHBondContact O-N 3.4Å; S200-L203 PolarHBondContact O-N 2.82Å; L203-Y206 PolarHBondContact O-N 3.18Å; L203-S207 WeakPolarHBondContact O-CB 3.28Å; L203-S207 PolarHBondContact O-N 3.5Å
204	K	72.8	Confident	67.7	Low	116 Å²	116	99.4 Å²	99.4	50%	0.504	48%	0.482	S	S	.	.	H	α-helix	trans	-63.7	-43.5	173.9	-73.4	174.9	-177.5	-175.9	0	111.7	S200 T201 I202 S207 L208	S200-K204 VanDerWaalsContact O-CG 3.3Å; S200-K204 WeakPolarHBondContact O-CG 3.46Å; S200-K204 PolarHBondContact O-N 3.37Å; T201-K204 PolarHBondContact O-N 2.97Å; I202-K204 PolarHBondContact O-N 3.47Å; K204-S207 PolarHBondContact O-N 3.02Å; K204-L208 WeakPolarHBondContact O-CB 3.35Å; K204-L208 PolarHBondContact O-N 2.9Å
205	F	69.6	Low	67.9	Low	149 Å²	149	100.2 Å²	100.2	65%	0.654	49%	0.486	S	S	*	.	H	α-helix	trans	-62.6	-42.8	176	-178.3	-97.2	0	0	0	111.8	T201 I202 L208 S209	T201-F205 WeakPolarHBondContact O-CB 3.25Å; T201-F205 PolarHBondContact O-N 2.85Å; I202-F205 PolarHBondContact O-N 3.18Å; F205-L208 PolarHBondContact O-N 3.44Å; F205-S209 VanDerWaalsContact O-CB 3.28Å; F205-S209 WeakPolarHBondContact O-CB 3.45Å; F205-S209 PolarHBondContact O-N 2.82Å
206	Y	71	Confident	68.3	Low	163 Å²	163	99.7 Å²	99.7	64%	0.639	49%	0.487	S	S	*	.	H	α-helix	trans	-63.2	-44	176.4	-176.5	-98.1	0	0	0	112	I202 L203 S209 K210	I202-Y206 WeakPolarHBondContact O-CB 3.43Å; I202-Y206 PolarHBondContact O-N 2.93Å; L203-Y206 PolarHBondContact O-N 3.18Å; Y206-S209 PolarHBondContact O-N 3.4Å; Y206-K210 WeakPolarHBondContact O-CB 3.26Å; Y206-K210 PolarHBondContact O-N 3.39Å
207	S	70.2	Confident	68.8	Low	55 Å²	55	98.4 Å²	98.4	39%	0.385	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-47.6	175.1	-173.6	0	0	0	0	111.7	L203 K204 S209 K210 H211	L203-S207 WeakPolarHBondContact O-CB 3.28Å; L203-S207 PolarHBondContact O-N 3.5Å; K204-S207 PolarHBondContact O-N 3.02Å; S207-S209 PolarHBondContact O-N 3.46Å; S207-K210 WeakPolarHBondContact O-CB 3.38Å; S207-K210 PolarHBondContact O-N 3.12Å; S207-H211 PolarHBondContact O-CD2 3.09Å; S207-H211 PolarHBondContact O-N 3.48Å
208	L	71	Confident	68.5	Low	88 Å²	88	101 Å²	101	46%	0.461	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-46.2	177.4	-167.3	95.8	0	0	0	111.7	K204 F205 K210 H211 I212	K204-L208 WeakPolarHBondContact O-CB 3.35Å; K204-L208 PolarHBondContact O-N 2.9Å; F205-L208 PolarHBondContact O-N 3.44Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 2.89Å; L208-H211 PolarHBondContact O-N 3.26Å; L208-H211 VanDerWaalsContact O-N 3.13Å; L208-I212 HydrophobicContact CD2-CD1 3.85Å; L208-I212 HydrophobicContact CG-CD1 4.02Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 3.12Å
209	S	65.2	Low	68.1	Low	54 Å²	54	103.2 Å²	103.2	38%	0.378	51%	0.514	S	S	.	.	H	α-helix	trans	-59.1	-42.1	177.8	-177.3	0	0	0	0	111.3	F205 Y206 S207 H211 I212 L213	F205-S209 VanDerWaalsContact O-CB 3.28Å; F205-S209 WeakPolarHBondContact O-CB 3.45Å; F205-S209 PolarHBondContact O-N 2.82Å; Y206-S209 PolarHBondContact O-N 3.4Å; S207-S209 PolarHBondContact O-N 3.46Å; S209-H211 PolarHBondContact O-N 3.46Å; S209-I212 PolarHBondContact O-N 3.19Å; S209-L213 VanDerWaalsContact O-CB 3.32Å; S209-L213 WeakPolarHBondContact O-CB 3.32Å; S209-L213 PolarHBondContact O-N 3.47Å
210	K	73.3	Confident	67.4	Low	142 Å²	142	100.6 Å²	100.6	62%	0.617	52%	0.523	S	S	*	.	H	α-helix	trans	-61.2	-41.5	174.7	-172.1	-178.6	178.9	-177.5	0	112.2	Y206 S207 L208 F214	Y206-K210 WeakPolarHBondContact O-CB 3.26Å; Y206-K210 PolarHBondContact O-N 3.39Å; S207-K210 WeakPolarHBondContact O-CB 3.38Å; S207-K210 PolarHBondContact O-N 3.12Å; L208-K210 VanDerWaalsContact C-N 3.3Å; L208-K210 PolarHBondContact O-N 2.89Å; K210-F214 VanDerWaalsContact O-CB 3.31Å; K210-F214 WeakPolarHBondContact O-CB 3.49Å; K210-F214 PolarHBondContact O-N 3.31Å
211	H	68.5	Low	66.5	Low	90 Å²	90	102.7 Å²	102.7	42%	0.417	53%	0.531	S	S	.	.	H	α-helix	trans	-68	-41.9	176.9	-77	-64	0	0	0	112.7	S207 L208 S209 F214 L215	S207-H211 PolarHBondContact O-CD2 3.09Å; S207-H211 PolarHBondContact O-N 3.48Å; L208-H211 PolarHBondContact O-N 3.26Å; L208-H211 VanDerWaalsContact O-N 3.13Å; S209-H211 PolarHBondContact O-N 3.46Å; H211-F214 WeakPolarHBondContact O-CB 3.35Å; H211-F214 PolarHBondContact O-N 3.07Å; H211-L215 WeakPolarHBondContact O-CG 3.46Å; H211-L215 PolarHBondContact O-N 2.87Å
212	I	68	Low	66	Low	84 Å²	84	108.9 Å²	108.9	43%	0.431	55%	0.553	S	S	.	*	H	α-helix	trans	-62.4	-45.9	175.3	-66.8	166	0	0	0	110	L208 S209 F214 L215 I216	L208-I212 HydrophobicContact CD2-CD1 3.85Å; L208-I212 HydrophobicContact CG-CD1 4.02Å; L208-I212 WeakPolarHBondContact O-CG1 3.48Å; L208-I212 PolarHBondContact O-N 3.12Å; S209-I212 PolarHBondContact O-N 3.19Å; I212-F214 VanDerWaalsContact C-N 3.3Å; I212-F214 PolarHBondContact O-N 3.32Å; I212-L215 WeakPolarHBondContact O-CB 3.18Å; I212-L215 PolarHBondContact O-N 3.14Å; I212-L215 VanDerWaalsContact O-N 3.16Å; I212-I216 HydrophobicContact CG2-CD1 3.8Å; I212-I216 HydrophobicContact CG2-CG1 4.46Å; I212-I216 VanDerWaalsContact O-CG1 3.31Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.02Å
213	L	67.8	Low	65.3	Low	107 Å²	107	111.5 Å²	111.5	56%	0.56	57%	0.568	S	S	*	*	H	α-helix	trans	-62.7	-39	177.4	-157.9	111	0	0	0	111.3	S209 L215 I216 V217	S209-L213 VanDerWaalsContact O-CB 3.32Å; S209-L213 WeakPolarHBondContact O-CB 3.32Å; S209-L213 PolarHBondContact O-N 3.47Å; L213-L215 PolarHBondContact O-N 3.02Å; L213-I216 PolarHBondContact O-N 3.2Å; L213-V217 HydrophobicContact CD2-CG2 4.34Å; L213-V217 HydrophobicContact CG-CG2 4.37Å; L213-V217 WeakPolarHBondContact O-CB 3.46Å; L213-V217 VanDerWaalsContact O-CG2 3.23Å; L213-V217 WeakPolarHBondContact O-CG2 3.29Å; L213-V217 PolarHBondContact O-N 3.11Å
214	F	72.3	Confident	64.7	Low	100 Å²	100	112 Å²	112	44%	0.439	57%	0.571	S	S	.	*	H	α-helix	trans	-61.8	-41.4	173.8	-179.3	-95.8	0	0	0	112.3	K210 H211 I212 R218 L221	K210-F214 VanDerWaalsContact O-CB 3.31Å; K210-F214 WeakPolarHBondContact O-CB 3.49Å; K210-F214 PolarHBondContact O-N 3.31Å; H211-F214 WeakPolarHBondContact O-CB 3.35Å; H211-F214 PolarHBondContact O-N 3.07Å; I212-F214 VanDerWaalsContact C-N 3.3Å; I212-F214 PolarHBondContact O-N 3.32Å; F214-R218 WeakPolarHBondContact O-CB 3.5Å; F214-R218 PolarHBondContact O-N 3.2Å; F214-L221 HydrophobicContact CE1-CD1 4.36Å
215	L	61.7	Low	64.1	Low	110 Å²	110	111.9 Å²	111.9	58%	0.576	58%	0.575	S	S	*	*	H	α-helix	trans	-65.9	-38.1	175.4	-71.4	170.4	0	0	0	112.2	H211 I212 L213	H211-L215 WeakPolarHBondContact O-CG 3.46Å; H211-L215 PolarHBondContact O-N 2.87Å; I212-L215 WeakPolarHBondContact O-CB 3.18Å; I212-L215 PolarHBondContact O-N 3.14Å; I212-L215 VanDerWaalsContact O-N 3.16Å; L213-L215 PolarHBondContact O-N 3.02Å
216	I	66.3	Low	63.6	Low	121 Å²	121	110.5 Å²	110.5	62%	0.621	57%	0.574	S	S	*	*	H	α-helix	trans	-68.7	-44.9	177.1	-67.1	166.7	0	0	0	110.9	I212 L213 R218	I212-I216 HydrophobicContact CG2-CD1 3.8Å; I212-I216 HydrophobicContact CG2-CG1 4.46Å; I212-I216 VanDerWaalsContact O-CG1 3.31Å; I212-I216 WeakPolarHBondContact O-CG1 3.27Å; I212-I216 PolarHBondContact O-N 3.02Å; L213-I216 PolarHBondContact O-N 3.2Å; I216-R218 VanDerWaalsContact C-N 3.32Å; I216-R218 PolarHBondContact O-N 3.08Å
217	V	75	Confident	63	Low	108 Å²	108	107.8 Å²	107.8	66%	0.655	57%	0.57	S	S	*	*	H	α-helix	trans	-74.3	-23	-175.7	173.6	0	0	0	0	112.1	L213 P219	L213-V217 HydrophobicContact CD2-CG2 4.34Å; L213-V217 HydrophobicContact CG-CG2 4.37Å; L213-V217 WeakPolarHBondContact O-CB 3.46Å; L213-V217 VanDerWaalsContact O-CG2 3.23Å; L213-V217 WeakPolarHBondContact O-CG2 3.29Å; L213-V217 PolarHBondContact O-N 3.11Å; V217-P219 WeakPolarHBondContact O-CD 3.49Å
218	R	54.6	Low	62.3	Low	152 Å²	152	108.2 Å²	108.2	57%	0.574	57%	0.573	S	S	*	*			trans	-114.2	72.7	179.9	-125.2	178.4	-174.6	172	0.7	111.9	F214 I216 G220 L221	F214-R218 WeakPolarHBondContact O-CB 3.5Å; F214-R218 PolarHBondContact O-N 3.2Å; I216-R218 VanDerWaalsContact C-N 3.32Å; I216-R218 PolarHBondContact O-N 3.08Å; R218-G220 PolarHBondContact O-N 3.11Å; R218-L221 PolarHBondContact O-N 2.88Å
219	P	53.9	Low	61.5	Low	99 Å²	99	108.5 Å²	108.5	64%	0.643	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-6.5	-177.3	25.7	-34.4	0	0	0	114.7	V217	V217-P219 WeakPolarHBondContact O-CD 3.49Å
220	G	56.7	Low	60.9	Low	74 Å²	74	110 Å²	110	76%	0.763	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-8.9	-179.8	0	0	0	0	0	116	R218 K222	R218-G220 PolarHBondContact O-N 3.11Å; G220-K222 VanDerWaalsContact C-N 3.33Å; G220-K222 PolarHBondContact O-N 3.09Å
221	L	51.5	Low	59.8	Low	78 Å²	78	108.9 Å²	108.9	41%	0.408	57%	0.574	S	S	.	*			trans	-95.2	33.7	-177.4	-80.9	156.1	0	0	0	113.5	F214 R218 N223 I224	F214-L221 HydrophobicContact CE1-CD1 4.36Å; R218-L221 PolarHBondContact O-N 2.88Å; L221-N223 PolarHBondContact O-N 2.98Å; L221-I224 HydrophobicContact CD2-CD1 3.51Å; L221-I224 HydrophobicContact CD2-CG1 4.03Å; L221-I224 PolarHBondContact O-N 3.12Å
222	K	55.5	Low	58.8	Low	192 Å²	192	111.2 Å²	111.2	84%	0.835	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-9	-178.7	-97.3	-177.1	175.2	-179.6	0	115.7	G220	G220-K222 VanDerWaalsContact C-N 3.33Å; G220-K222 PolarHBondContact O-N 3.09Å
223	N	56	Low	57.8	Low	166 Å²	166	112 Å²	112	89%	0.888	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.7	7.4	-176.5	-94.7	5.7	0	0	0	115.6	L221 N225	L221-N223 PolarHBondContact O-N 2.98Å; N223-N225 PolarHBondContact O-N 3.02Å
224	I	57.8	Low	56.5	Low	105 Å²	105	114.5 Å²	114.5	54%	0.538	60%	0.6	S	S	.	*	S	Bend	trans	-80.5	119.1	174.1	-61.7	-174.9	0	0	0	109.7	L221 I226	L221-I224 HydrophobicContact CD2-CD1 3.51Å; L221-I224 HydrophobicContact CD2-CG1 4.03Å; L221-I224 PolarHBondContact O-N 3.12Å; I224-I226 PolarHBondContact O-N 3.39Å; I224-I226 VanDerWaalsContact O-N 3.07Å
225	N	60	Low	55.4	Low	112 Å²	112	114.2 Å²	114.2	60%	0.599	60%	0.603	S	S	*	*			trans	-58.8	105.7	179.9	-163.3	-1	0	0	0	110.7	N223 N227 S228	N223-N225 PolarHBondContact O-N 3.02Å; N225-N227 PolarHBondContact O-N 3.46Å; N225-S228 PolarHBondContact O-N 3.04Å; N225-S228 VanDerWaalsContact O-N 3.16Å; N225-S228 PolarHBondContact O-OG 3.42Å
226	I	59.4	Low	54.6	Low	121 Å²	121	112.4 Å²	112.4	62%	0.621	60%	0.598	S	S	*	*	H	α-helix	trans	-54.6	-26.7	-173.5	-66	168.6	0	0	0	112.4	I224 S228 F229 I230	I224-I226 PolarHBondContact O-N 3.39Å; I224-I226 VanDerWaalsContact O-N 3.07Å; I226-S228 VanDerWaalsContact C-N 3.34Å; I226-S228 PolarHBondContact O-N 3.45Å; I226-F229 WeakPolarHBondContact O-CB 3.28Å; I226-F229 PolarHBondContact O-N 3.2Å; I226-F229 VanDerWaalsContact O-N 3.15Å; I226-I230 HydrophobicContact CG2-CD1 3.99Å; I226-I230 HydrophobicContact CG2-CG1 4.34Å; I226-I230 PolarHBondContact O-N 3.04Å
227	N	58.3	Low	53.6	Low	105 Å²	105	114.1 Å²	114.1	56%	0.561	60%	0.601	S	S	*	*	H	α-helix	trans	-66.3	-30.3	-177.4	-67.4	-10.2	0	0	0	113.7	N225 F229	N225-N227 PolarHBondContact O-N 3.46Å; N227-F229 VanDerWaalsContact C-N 3.31Å
228	S	55.1	Low	52.4	Low	64 Å²	64	118.2 Å²	118.2	45%	0.448	60%	0.604	S	S	.	*	H	α-helix	trans	-70	-34.8	174.8	71.6	0	0	0	0	111.1	N225 I226 N231 D232	N225-S228 PolarHBondContact O-N 3.04Å; N225-S228 VanDerWaalsContact O-N 3.16Å; N225-S228 PolarHBondContact O-OG 3.42Å; I226-S228 VanDerWaalsContact C-N 3.34Å; I226-S228 PolarHBondContact O-N 3.45Å; S228-N231 PolarHBondContact O-N 2.66Å; S228-D232 PolarHBondContact O-N 2.97Å
229	F	54.8	Low	52.4	Low	94 Å²	94	114.2 Å²	114.2	41%	0.412	59%	0.594	S	S	.	*	H	α-helix	trans	-71	-33	-177.7	-153.7	-97.2	0	0	0	112.8	I226 N227 N231 I233	I226-F229 WeakPolarHBondContact O-CB 3.28Å; I226-F229 PolarHBondContact O-N 3.2Å; I226-F229 VanDerWaalsContact O-N 3.15Å; N227-F229 VanDerWaalsContact C-N 3.31Å; F229-N231 VanDerWaalsContact C-N 3.32Å; F229-I233 HydrophobicContact CD1-CD1 3.59Å; F229-I233 HydrophobicContact CD1-CG1 4.42Å; F229-I233 HydrophobicContact CE1-CD1 3.67Å; F229-I233 HydrophobicContact CE1-CG1 4.43Å; F229-I233 WeakPolarHBondContact O-CD1 3.24Å; F229-I233 WeakPolarHBondContact O-CG1 3.46Å
230	I	53	Low	51.9	Low	86 Å²	86	113.1 Å²	113.1	44%	0.441	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-36.6	177.6	-67	171.6	0	0	0	111	I226 I233	I226-I230 HydrophobicContact CG2-CD1 3.99Å; I226-I230 HydrophobicContact CG2-CG1 4.34Å; I226-I230 PolarHBondContact O-N 3.04Å; I230-I233 PolarHBondContact O-N 2.9Å
231	N	49.5	Very low	51.6	Low	119 Å²	119	115.1 Å²	115.1	64%	0.636	57%	0.571	S	S	*	*	H	α-helix	trans	-71.3	-33.4	-177.6	-69.8	-13.7	0	0	0	112.5	S228 F229 I233 F234	S228-N231 PolarHBondContact O-N 2.66Å; F229-N231 VanDerWaalsContact C-N 3.32Å; N231-I233 VanDerWaalsContact C-N 3.32Å; N231-I233 PolarHBondContact O-N 3.04Å; N231-F234 PolarHBondContact O-N 3.41Å
232	D	46.7	Very low	51.5	Low	139 Å²	139	116.2 Å²	116.2	74%	0.743	58%	0.576	S	S	*	*	H	α-helix	trans	-74.7	-20.4	177.5	-67.7	-24.1	0	0	0	113.3	S228	S228-D232 PolarHBondContact O-N 2.97Å
233	I	48.5	Very low	51	Low	99 Å²	99	112.3 Å²	112.3	51%	0.508	56%	0.564	S	S	.	*	H	α-helix	trans	-81.6	-24.8	178	-65.7	167.6	0	0	0	111.5	F229 I230 N231 I235	F229-I233 HydrophobicContact CD1-CD1 3.59Å; F229-I233 HydrophobicContact CD1-CG1 4.42Å; F229-I233 HydrophobicContact CE1-CD1 3.67Å; F229-I233 HydrophobicContact CE1-CG1 4.43Å; F229-I233 WeakPolarHBondContact O-CD1 3.24Å; F229-I233 WeakPolarHBondContact O-CG1 3.46Å; I230-I233 PolarHBondContact O-N 2.9Å; N231-I233 VanDerWaalsContact C-N 3.32Å; N231-I233 PolarHBondContact O-N 3.04Å; I233-I235 PolarHBondContact O-N 3.42Å
234	F	41	Very low	50.6	Low	160 Å²	160	107.7 Å²	107.7	70%	0.702	54%	0.542	S	S	*	.			trans	-80.7	86	179.5	-108.9	-86.6	0	0	0	110.6	N231 P236	N231-F234 PolarHBondContact O-N 3.41Å; F234-P236 VanDerWaalsContact O-CD 3.3Å; F234-P236 WeakPolarHBondContact O-CD 3.15Å; F234-P236 VanDerWaalsContact O-N 3.15Å
235	I	47.6	Very low	49.8	Very low	94 Å²	94	109.8 Å²	109.8	48%	0.482	54%	0.544	S	S	.	.			trans	-59.4	117.2	161	-62.7	173.4	0	0	0	106.6	I233 F237 D239	I233-I235 PolarHBondContact O-N 3.42Å; I235-F237 PolarHBondContact O-N 3Å; I235-D239 HydrophobicContact CG2-CB 3.62Å
236	P	46.2	Very low	49.1	Very low	73 Å²	73	110.2 Å²	110.2	47%	0.474	55%	0.546	S	S	.	.			trans	-60.3	141.1	-178.2	22.8	-30.4	0	0	0	109.5	F234 R238 D239	F234-P236 VanDerWaalsContact O-CD 3.3Å; F234-P236 WeakPolarHBondContact O-CD 3.15Å; F234-P236 VanDerWaalsContact O-N 3.15Å; P236-R238 PolarHBondContact O-N 3.11Å; P236-D239 WeakPolarHBondContact CG-OD2 3.42Å; P236-D239 PolarHBondContact O-N 3.35Å
237	F	44.1	Very low	48.4	Very low	157 Å²	157	108.6 Å²	108.6	69%	0.689	54%	0.543	S	S	*	.	H	α-helix	trans	-52.3	-26.6	-172.6	-143.1	-91.5	0	0	0	113.6	I235 L240 F241	I235-F237 PolarHBondContact O-N 3Å; F237-L240 VanDerWaalsContact O-CB 3.29Å; F237-L240 WeakPolarHBondContact O-CB 3.34Å; F237-L240 PolarHBondContact O-N 3.37Å; F237-F241 HydrophobicContact CD1-CD2 4.4Å; F237-F241 PolarHBondContact O-N 3.36Å; F237-F241 VanDerWaalsContact O-N 3.16Å
238	R	49.8	Very low	47.7	Very low	193 Å²	193	110.6 Å²	110.6	73%	0.728	55%	0.551	S	S	*	*	H	α-helix	trans	-60	-40.5	174	-179.2	178.7	162.7	-142.5	-5.5	113.2	P236 L240 F241 L242	P236-R238 PolarHBondContact O-N 3.11Å; R238-L240 VanDerWaalsContact C-N 3.33Å; R238-F241 WeakPolarHBondContact O-CB 3.32Å; R238-F241 PolarHBondContact O-N 3.42Å; R238-L242 PolarHBondContact O-N 3.47Å
239	D	54.7	Low	47.1	Very low	68 Å²	68	113 Å²	113	36%	0.364	56%	0.563	S	S	.	*	H	α-helix	trans	-75.2	-29.3	-179.6	-62.5	-14.9	0	0	0	110.9	I235 P236 F241 L242 L243	I235-D239 HydrophobicContact CG2-CB 3.62Å; P236-D239 WeakPolarHBondContact CG-OD2 3.42Å; P236-D239 PolarHBondContact O-N 3.35Å; D239-F241 VanDerWaalsContact C-N 3.27Å; D239-F241 PolarHBondContact O-N 2.82Å; D239-L242 PolarHBondContact O-N 3.04Å; D239-L243 PolarHBondContact O-N 2.97Å; D239-L243 VanDerWaalsContact O-N 3.16Å
240	L	44.5	Very low	46.3	Very low	77 Å²	77	113.3 Å²	113.3	40%	0.403	57%	0.573	S	S	.	*	H	α-helix	trans	-61.2	-39.3	169.6	-139.4	91.9	0	0	0	111	F237 R238 L243 T244	F237-L240 VanDerWaalsContact O-CB 3.29Å; F237-L240 WeakPolarHBondContact O-CB 3.34Å; F237-L240 PolarHBondContact O-N 3.37Å; R238-L240 VanDerWaalsContact C-N 3.33Å; L240-L243 PolarHBondContact O-N 3.5Å; L240-T244 PolarHBondContact O-N 3.37Å; L240-T244 VanDerWaalsContact O-N 3.17Å; L240-T244 PolarHBondContact O-OG1 3.43Å
241	F	49.7	Very low	46	Very low	116 Å²	116	121.9 Å²	121.9	51%	0.509	61%	0.608	S	S	.	*	H	α-helix	trans	-68.5	-39.6	178.6	-119	-89.7	0	0	0	112.5	F237 R238 D239 L243 T244 Y245	F237-F241 HydrophobicContact CD1-CD2 4.4Å; F237-F241 PolarHBondContact O-N 3.36Å; F237-F241 VanDerWaalsContact O-N 3.16Å; R238-F241 WeakPolarHBondContact O-CB 3.32Å; R238-F241 PolarHBondContact O-N 3.42Å; D239-F241 VanDerWaalsContact C-N 3.27Å; D239-F241 PolarHBondContact O-N 2.82Å; F241-L243 VanDerWaalsContact C-N 3.31Å; F241-L243 PolarHBondContact O-N 2.98Å; F241-T244 WeakPolarHBondContact CA-OG1 3.44Å; F241-T244 PolarHBondContact O-N 3.45Å; F241-T244 PolarHBondContact O-OG1 3.1Å; F241-Y245 HydrophobicContact CD1-CD2 4.06Å; F241-Y245 AromaticContact CD1-CE2 3.88Å; F241-Y245 HydrophobicContact CD1-CE2 3.88Å; F241-Y245 AromaticContact CE1-CE2 3.95Å; F241-Y245 HydrophobicContact CE1-CE2 3.95Å; F241-Y245 PolarHBondContact O-N 3.37Å; F241-Y245 VanDerWaalsContact O-N 3.17Å
242	L	50.3	Low	45.8	Very low	100 Å²	100	122.1 Å²	122.1	52%	0.524	61%	0.606	S	S	.	*	H	α-helix	trans	-62.8	-37.8	174.6	-97.5	147.6	0	0	0	112.1	R238 D239 Y245 L246	R238-L242 PolarHBondContact O-N 3.47Å; D239-L242 PolarHBondContact O-N 3.04Å; L242-Y245 PolarHBondContact O-N 3.23Å; L242-L246 PolarHBondContact O-N 3.09Å
243	L	44.9	Very low	45.8	Very low	110 Å²	110	121.2 Å²	121.2	58%	0.576	60%	0.599	S	S	*	*	H	α-helix	trans	-67.3	-33.5	174.5	-106.5	129.6	0	0	0	113	D239 L240 F241 Y245	D239-L243 PolarHBondContact O-N 2.97Å; D239-L243 VanDerWaalsContact O-N 3.16Å; L240-L243 PolarHBondContact O-N 3.5Å; F241-L243 VanDerWaalsContact C-N 3.31Å; F241-L243 PolarHBondContact O-N 2.98Å; L243-Y245 VanDerWaalsContact C-N 3.34Å
244	T	46.9	Very low	45.6	Very low	70 Å²	70	122.4 Å²	122.4	43%	0.429	60%	0.604	S	S	.	*	H	α-helix	trans	-73.8	-22.9	175.5	47.6	0	0	0	0	113.8	L240 F241 P247	L240-T244 PolarHBondContact O-N 3.37Å; L240-T244 VanDerWaalsContact O-N 3.17Å; L240-T244 PolarHBondContact O-OG1 3.43Å; F241-T244 WeakPolarHBondContact CA-OG1 3.44Å; F241-T244 PolarHBondContact O-N 3.45Å; F241-T244 PolarHBondContact O-OG1 3.1Å; T244-P247 WeakPolarHBondContact O-CD 3.45Å
245	Y	41.9	Very low	45.9	Very low	148 Å²	148	120.2 Å²	120.2	58%	0.58	60%	0.598	S	S	*	*	H	α-helix	trans	-88.9	-18.6	-179.8	-97.5	-85.6	0	0	0	114.2	F241 L242 L243 M248	F241-Y245 HydrophobicContact CD1-CD2 4.06Å; F241-Y245 AromaticContact CD1-CE2 3.88Å; F241-Y245 HydrophobicContact CD1-CE2 3.88Å; F241-Y245 AromaticContact CE1-CE2 3.95Å; F241-Y245 HydrophobicContact CE1-CE2 3.95Å; F241-Y245 PolarHBondContact O-N 3.37Å; F241-Y245 VanDerWaalsContact O-N 3.17Å; L242-Y245 PolarHBondContact O-N 3.23Å; L243-Y245 VanDerWaalsContact C-N 3.34Å; Y245-M248 WeakPolarHBondContact O-CB 3.41Å; Y245-M248 PolarHBondContact O-N 3.01Å
246	L	45	Very low	45.8	Very low	121 Å²	121	121.8 Å²	121.8	63%	0.634	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-61.4	-29.9	-175.7	-124.5	124.8	0	0	0	115.8	L242 M248	L242-L246 PolarHBondContact O-N 3.09Å; L246-M248 VanDerWaalsContact C-N 3.3Å; L246-M248 PolarHBondContact O-N 3.32Å
247	P	43.5	Very low	45.8	Very low	87 Å²	87	125.1 Å²	125.1	57%	0.565	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-83.8	0.8	174.6	31.5	-29.8	0	0	0	113.9	T244	T244-P247 WeakPolarHBondContact O-CD 3.45Å
248	M	44.2	Very low	45.9	Very low	148 Å²	148	122.8 Å²	122.8	73%	0.729	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-90.8	-9.1	177.9	-79.2	-93.4	-175.7	0	0	113.9	Y245 L246	Y245-M248 WeakPolarHBondContact O-CB 3.41Å; Y245-M248 PolarHBondContact O-N 3.01Å; L246-M248 VanDerWaalsContact C-N 3.3Å; L246-M248 PolarHBondContact O-N 3.32Å
249	T	43.1	Very low	45.6	Very low	115 Å²	115	117.4 Å²	117.4	71%	0.706	60%	0.6	S	S	*	*	S	Bend	trans	-114.8	12.2	-177.2	59.6	0	0	0	0	114.8
250	T	38.2	Very low	44.8	Very low	100 Å²	100	121.5 Å²	121.5	61%	0.613	62%	0.62	S	S	*	*			trans	-128.5	55.7	172.2	61.9	0	0	0	0	111.4
251	F	45.9	Very low	44.9	Very low	266 Å²	266	125.5 Å²	125.5	100%	1.167	64%	0.639	S	S	*	*			trans	-159.1	0	153.1	-81.1	-67.3	0	0	0	107.8

Retrieved 251 of 251 residues in 115.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).